#DEFINITION	Reference Metabolome for Saraca dives
#IDENTTFIER	RefMeta-Saraca dives.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Saraca dives
#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 Saraca dives 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	999.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	19.8
71.33871	1.1
71.34214	0.7
72.99301	2.4
73.02946	3.2
81.03470	1.5
83.01363	1.9
83.05000	1.5
85.02956	4.8
85.26994	0.7
87.00859	3.9
89.02445	16.7
94.97205	0.6
95.01380	1.4
95.05029	1.4
97.02946	2.3
99.00883	1.4
99.92572	1.9
101.02444	14.1
109.06625	1.3
111.00895	2.2
111.04456	0.8
111.08158	12.2
113.02449	7.9
116.92865	11.4
117.92866	1.2
119.03516	6.3
123.04535	1.0
125.02451	4.9
127.07642	0.6
131.03516	0.7
133.02887	0.7
137.09691	0.8
141.01964	0.8
143.03499	2.7
161.04535	3.5
165.01892	0.7
167.10747	2.1
171.10321	0.8
173.24864	0.8
177.12837	2.6
179.05591	4.1
179.10738	1.5
190.17293	0.7
192.49966	0.6
195.13852	9.6
197.11862	1.0
205.05161	0.7
221.06677	1.9
223.13284	1.6
235.08189	3.6
245.19098	1.5
247.20694	2.4
253.09196	0.9
273.18677	1.2
275.20206	2.3
289.07147	2.1
289.18100	4.8
291.19650	100.0
292.19955	6.8
293.21161	11.2
294.21515	1.6
295.22339	0.7
307.19141	7.6
309.20560	0.8
325.23688	0.7
327.21729	0.9
375.87784	0.7
379.11932	0.7
397.13565	11.9
398.13809	0.8
415.14615	7.3
547.52716	0.6
757.11969	0.9
949.94067	0.7
959.07739	0.8
981.51746	0.8
999.52576	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	999.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.9
72.99309	0.9
73.02938	2.0
77.06260	0.2
80.02703	0.2
81.03459	0.5
83.01387	1.1
83.05040	0.5
84.02162	0.3
85.02946	3.2
87.00883	2.2
88.51246	0.2
89.02446	8.4
89.69236	0.2
95.00871	0.2
95.01393	1.1
95.05070	0.3
96.96042	0.2
97.02950	3.4
97.06603	0.6
97.53741	0.2
99.00893	0.8
101.02441	7.6
102.02785	0.2
109.02956	0.2
109.06593	0.8
111.07387	0.4
111.08166	8.1
113.02449	4.3
119.03494	2.2
119.04928	0.2
123.04502	0.3
123.08160	0.4
125.02462	3.0
125.09719	0.9
127.07677	0.9
131.03502	0.4
137.02400	0.3
137.09744	0.7
139.11250	0.2
141.01920	0.4
143.03497	1.5
149.04492	0.3
151.11263	0.6
153.09161	0.4
153.12860	0.8
155.10757	0.2
161.04552	1.9
163.11269	0.9
165.12863	1.3
167.10675	0.3
169.12338	3.9
171.10284	2.2
175.11310	0.3
179.05643	2.7
179.10780	0.6
179.14391	0.5
181.12292	1.5
183.13904	1.1
185.11882	0.3
193.12332	0.9
197.11826	39.5
198.12140	1.5
199.13394	2.4
207.10349	0.2
209.11806	0.9
211.13390	6.8
217.07083	0.3
217.25470	0.2
221.06686	1.7
223.13457	0.4
227.12904	1.8
235.08241	2.8
239.12613	0.2
247.20604	1.7
253.09259	0.9
263.07864	0.3
263.20169	3.0
265.18106	1.1
273.18604	1.5
287.07709	0.7
291.19659	23.7
292.20029	1.5
293.21237	0.7
305.08813	0.7
307.19101	0.4
309.20703	100.0
310.17465	0.4
310.21057	6.6
323.09698	0.5
327.21869	0.3
333.20569	0.4
351.21838	0.3
356.31973	0.2
379.12463	0.8
397.13495	21.5
398.13782	1.4
415.14581	14.0
416.14856	0.7
601.41028	1.9
602.41022	0.3
607.53235	0.2
678.95038	0.2
689.33661	1.9
690.33698	0.3
707.34967	3.8
708.35315	0.7
835.13397	0.2
999.55261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92350	1.2
71.01383	26.9
72.99298	1.9
73.02951	3.1
80.02685	0.6
81.03452	1.9
83.01387	2.5
83.05013	1.6
83.25427	0.5
85.02947	7.4
87.00877	5.8
89.02443	21.1
93.03450	0.9
95.01392	2.4
95.05034	1.5
97.02956	7.1
97.06571	2.0
99.00893	2.0
101.02440	18.8
109.06586	1.1
111.00855	1.0
111.04485	0.6
111.08157	10.9
113.02453	9.8
116.92927	0.6
119.03505	5.6
121.02956	0.7
121.06522	0.6
123.04514	0.7
123.08180	0.6
125.02447	6.5
125.09732	3.6
126.02788	0.7
127.07594	0.8
131.03484	0.8
135.04501	0.7
135.08104	0.6
137.02460	0.7
137.09729	2.0
139.04012	0.7
141.01962	0.9
143.03488	3.1
149.04527	0.9
151.11320	0.8
153.12740	0.6
161.04561	4.8
163.11240	2.4
165.09189	0.7
165.12820	3.4
167.03532	0.6
167.10754	2.4
169.12305	2.3
171.10269	2.2
177.12831	2.5
179.05615	6.3
179.10750	1.8
179.14351	0.6
181.12300	1.6
185.11835	3.5
191.14433	2.1
193.12354	1.1
193.16064	0.7
195.13910	8.7
195.21608	0.5
197.11827	23.6
198.12207	1.3
199.13361	1.4
203.14478	0.7
207.10197	0.8
209.11827	4.3
211.13405	3.7
221.06703	2.6
223.13391	3.3
227.12880	4.0
229.81184	0.6
235.08180	4.6
237.11441	1.0
245.19038	3.7
247.20645	2.4
253.09294	1.3
263.07733	1.0
263.20126	2.2
271.17218	0.7
273.18546	3.4
275.20151	2.3
287.07727	1.2
289.18088	16.3
290.18433	0.9
291.19653	100.0
292.20013	7.2
293.21210	27.3
294.21481	2.2
295.22757	1.7
305.08698	1.2
307.19159	14.0
308.19400	0.7
309.20700	50.1
310.21121	3.7
311.22318	1.8
323.09891	0.9
333.20642	0.9
379.12375	2.1
397.13501	33.4
398.13763	2.2
415.08963	0.8
415.14536	16.8
416.14713	1.4
436.77203	0.7
689.33972	1.6
794.37158	0.7
855.80878	0.7
960.54895	0.6
981.54913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.5
69.99438	4.5
71.01385	20.4
72.99329	1.3
73.02949	2.8
81.03452	1.3
83.01389	3.4
85.02946	6.7
87.00877	4.9
89.02444	16.7
95.01382	1.5
95.05027	1.5
96.96007	1.5
97.02953	2.7
97.06609	3.4
98.19976	1.7
99.00887	2.4
99.04517	1.4
99.92583	2.1
101.02441	12.9
109.02943	2.7
109.06591	1.3
111.00900	3.0
111.08170	3.5
113.02448	8.2
116.92866	11.3
119.03487	4.1
123.04478	2.1
123.08118	3.5
125.02438	10.0
125.09710	9.4
131.03371	1.0
135.04509	1.2
135.08163	4.5
137.02423	2.9
137.09698	2.4
139.07672	2.5
139.11249	1.4
141.09283	1.3
143.03514	2.4
151.04050	1.5
151.52081	1.2
153.09209	6.1
155.10770	15.6
161.04535	3.5
163.11304	1.7
165.01917	2.9
165.09190	3.3
167.10776	1.2
171.10249	3.0
179.03493	1.3
179.05586	4.8
179.14429	1.1
181.12354	1.1
183.10249	12.9
185.11804	4.4
191.14456	1.2
195.10216	1.6
195.13873	8.4
199.09734	4.5
201.11349	7.5
207.10336	1.8
209.11839	2.4
211.13338	1.9
213.11293	11.8
217.07263	0.9
221.06728	2.1
223.13426	5.1
225.11366	2.7
235.08252	5.5
243.17564	1.7
245.18947	2.1
253.09355	2.4
261.18594	2.2
275.20258	5.9
277.21985	1.4
279.19553	5.1
287.16547	5.1
289.07120	1.8
289.18173	7.2
291.19672	11.8
293.21219	100.0
294.21542	7.8
295.21863	1.3
305.08734	1.5
305.14386	1.6
305.17642	15.1
307.19241	4.9
309.20609	1.7
323.18683	24.0
323.22250	3.2
324.18970	1.8
397.13474	24.0
398.14127	1.5
415.14560	14.2
563.23187	1.8
581.24835	7.1
611.25763	1.3
685.30585	1.3
703.31427	2.9
721.32996	4.0
857.45770	3.0
979.32288	1.3
979.51044	4.9
997.51422	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	997.538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.3
70.73000	1.6
70.73356	1.2
71.01381	18.0
71.05016	1.8
72.99303	1.5
73.02942	2.2
81.03461	1.7
83.01379	2.7
83.05022	2.0
84.19331	0.7
85.02957	3.7
87.00880	4.1
89.02441	15.9
95.01382	2.0
95.05038	1.0
96.96036	1.4
97.02934	5.7
97.06565	0.9
99.00861	1.1
99.08208	0.8
101.02444	12.2
106.04290	1.0
106.12167	0.7
107.05022	0.8
109.06584	9.7
111.04501	4.0
111.08147	5.4
113.02437	7.8
119.03489	4.6
120.59245	0.7
121.02934	1.0
123.04503	1.1
123.08163	1.7
125.02428	5.9
125.09706	0.8
127.07635	1.1
133.05063	0.8
137.09695	2.3
139.04085	0.8
143.03497	3.0
143.10744	1.3
145.06580	2.3
149.09721	0.9
151.11301	1.1
156.81619	0.7
161.04527	3.6
163.11250	1.2
165.12817	1.6
167.10744	1.3
169.12317	2.1
171.10274	3.3
177.12843	0.8
179.05644	5.1
181.12308	1.2
183.13991	0.7
193.16022	0.8
195.13832	2.3
197.09988	1.2
197.11813	24.2
199.13391	1.4
209.11830	1.4
211.13408	4.0
221.06621	2.4
227.12910	2.2
235.08174	4.1
235.13246	0.9
245.19089	5.2
247.20674	2.0
253.09325	1.5
263.20102	2.1
271.16983	1.8
273.18610	0.8
287.07767	1.3
287.16537	2.3
289.18079	100.0
290.18408	5.8
291.19675	26.2
291.23010	1.0
293.21265	3.1
305.08640	1.6
307.19171	6.7
309.20685	78.6
310.21060	4.8
323.09897	1.1
379.12405	2.6
397.13464	41.8
398.13702	2.7
415.14590	16.5
415.19794	0.6
416.14966	0.8
669.31628	0.9
687.32123	3.4
689.33862	1.6
707.34943	1.5
997.51953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	4.3
69.44421	1.1
70.02959	1.3
71.01384	39.0
71.05012	1.8
71.50099	2.0
72.46866	1.2
72.99310	4.5
73.02953	4.8
76.65691	1.2
76.96713	1.2
78.95927	1.5
80.02654	1.8
81.03447	3.2
83.01389	8.0
83.05019	4.7
85.02945	11.3
87.00889	10.2
88.04033	1.4
89.02445	33.0
93.03464	2.0
95.01386	4.5
95.05042	5.4
96.96020	1.7
97.02947	13.2
97.06590	5.3
99.00872	3.2
101.02448	29.3
107.05011	4.5
109.02928	2.0
109.06597	5.0
111.00894	1.7
111.04515	3.3
111.08166	7.9
113.02453	17.5
113.03584	7.2
114.01984	6.7
116.92864	3.1
119.03508	8.8
119.08617	1.5
120.92028	1.3
121.02975	1.4
121.06623	1.7
123.04520	4.4
125.02438	13.8
125.09726	6.2
127.04025	1.4
129.01958	1.7
131.03583	1.6
131.04605	16.1
132.03009	3.5
132.05048	1.3
133.05006	1.7
135.04466	1.4
135.08121	2.2
137.09721	5.2
138.85933	1.2
141.01933	2.7
142.02675	1.2
143.03485	5.8
149.09749	1.3
151.07588	1.8
151.11349	1.3
159.07893	1.2
161.04607	6.3
161.69118	1.1
163.11255	8.1
165.12848	4.2
167.03496	1.9
167.10762	1.6
168.46114	1.1
169.12366	4.3
171.10294	4.4
177.12819	4.7
179.05576	12.3
179.10809	2.3
181.12318	3.4
185.11761	6.5
191.14397	7.9
195.13890	15.4
197.11826	33.8
197.13564	2.4
198.12152	1.8
199.13448	2.4
203.10675	3.6
203.14435	2.4
207.10266	3.9
207.13989	1.3
209.11838	15.4
209.15456	1.7
211.13403	10.6
217.15924	1.6
221.06718	4.3
221.11777	1.6
221.15375	2.1
223.13425	6.6
225.11320	2.4
227.12871	4.2
229.12308	2.8
232.45799	1.4
235.08214	7.4
235.13365	6.5
237.11287	3.8
237.14944	4.9
245.19096	13.2
247.13390	9.9
247.20702	3.4
251.13022	1.4
253.09288	2.6
261.18512	4.2
263.07767	1.3
263.20041	6.6
265.14523	8.1
271.16940	2.4
273.18372	1.5
275.20309	3.0
279.19580	3.1
281.21136	2.0
287.07755	2.1
287.16589	6.5
289.07178	1.8
289.18085	60.6
290.18463	2.2
291.19638	35.2
292.20151	1.9
293.21219	75.9
294.21597	5.7
305.08755	2.6
305.14371	2.4
305.17587	28.7
306.17874	1.6
307.19150	64.0
307.53006	1.5
308.19412	3.8
309.20703	100.0
310.20999	6.2
323.18619	1.6
325.19992	1.7
379.12494	4.9
396.09766	1.5
397.13495	64.9
398.13892	2.9
415.14529	31.0
607.25702	2.4
627.26105	1.9
633.28064	2.0
645.27405	3.1
663.28906	3.1
685.31433	1.7
687.32123	3.0
703.31824	2.0
705.33447	1.8
705.76892	1.5
707.35345	2.0
895.47302	3.4
909.48560	3.4
921.47986	2.7
939.49103	12.9
940.50580	2.1
979.52704	8.2
997.53705	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	997.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.7
71.01382	21.8
71.05045	1.3
71.50382	1.0
72.99311	2.0
73.02945	2.4
75.00857	1.1
81.03452	2.2
83.01389	2.5
83.05025	1.7
85.02945	8.8
87.00876	4.8
88.04040	1.0
89.02449	18.1
93.03449	1.9
95.01373	2.2
95.05036	3.5
96.96037	1.8
97.02965	4.7
97.06606	2.4
99.00876	1.6
101.02444	17.8
101.28157	0.9
106.04247	2.0
107.05028	1.5
109.02948	1.9
109.06596	4.3
111.04599	0.7
111.08167	2.3
113.02455	9.0
113.03593	1.8
114.01954	1.1
119.03508	3.4
125.02449	8.3
125.09714	1.3
131.04654	2.8
132.03024	2.2
135.08156	1.4
137.09663	1.1
138.03218	1.2
141.01976	1.1
143.03476	4.2
161.04517	4.8
163.11322	1.3
165.12875	1.2
167.10716	1.1
171.10324	1.6
177.12936	4.6
179.05592	6.6
179.10648	1.1
179.14413	1.6
181.12341	1.3
189.12747	1.1
191.14452	4.8
193.12289	1.2
195.13899	18.5
196.14406	1.6
197.11830	7.3
203.10809	3.2
203.14380	3.0
205.12280	1.4
205.15939	1.1
207.13921	1.7
209.11838	4.5
209.15532	2.2
209.74797	0.8
211.13396	3.0
218.93097	0.8
221.06651	2.7
221.11754	3.3
221.15433	2.3
223.13364	5.8
228.13596	1.3
229.12282	2.6
235.08333	4.5
235.13356	6.6
237.15059	4.7
243.17526	1.9
245.19058	1.6
247.13397	14.2
253.09300	1.0
253.14430	1.4
256.13071	1.0
261.18597	4.6
263.20160	1.1
265.14505	9.5
265.21698	0.9
275.20142	5.8
279.19641	3.5
287.07648	1.4
287.16473	6.6
289.18115	10.2
290.18417	1.2
291.19525	6.0
293.21222	100.0
294.21567	7.3
297.15268	1.8
305.08875	1.2
305.17566	35.6
306.17960	2.1
307.19086	10.3
309.20697	18.5
323.09756	1.4
323.18634	2.8
379.12372	2.5
397.13467	37.0
398.13617	1.3
415.14505	14.2
497.61829	0.8
499.41327	1.0
547.71899	1.0
567.24158	1.0
615.26605	1.2
615.37634	0.9
619.25775	2.4
627.26685	1.5
633.27448	3.6
645.27551	3.9
663.28839	3.5
664.29517	1.0
673.34387	1.2
685.30768	1.6
691.35345	1.3
703.31647	4.2
704.32336	1.2
705.32416	1.0
895.47150	2.9
909.49097	5.3
910.49078	1.0
921.47461	1.6
939.49634	17.2
940.49860	3.4
979.52521	8.4
997.52179	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	995.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	1.0
71.01380	14.2
72.99316	1.0
73.02950	1.7
78.95889	0.4
81.03448	0.5
83.01398	1.1
83.05029	0.3
85.02959	3.2
87.00873	3.2
89.02443	11.3
93.03474	0.4
95.01395	1.0
95.05035	0.6
97.02940	1.8
99.00885	0.8
99.04490	0.3
101.02448	9.7
109.02924	0.5
111.08191	0.5
113.02445	5.7
113.09761	0.5
116.90882	0.3
116.92893	0.4
119.03501	2.4
125.02438	3.3
131.03465	0.4
141.09155	0.4
143.03497	1.4
159.03029	0.3
161.04570	2.4
167.03517	0.5
179.05577	3.6
179.14386	0.9
195.13878	6.8
196.14316	0.4
205.12341	0.5
205.15897	0.4
207.17543	0.7
211.13422	0.3
221.06566	1.6
223.13455	5.0
223.17017	7.9
224.17657	0.6
225.15050	0.4
228.13690	0.7
233.15494	0.7
233.19109	0.4
235.08202	3.6
251.16534	4.6
253.09311	0.8
256.13181	1.0
256.16724	1.2
263.07639	0.7
267.16217	0.4
275.20166	3.8
284.16284	0.8
287.07755	0.9
293.21216	95.9
294.21561	6.1
303.23273	5.8
304.23535	0.5
305.08774	1.2
321.24323	100.0
322.24634	7.0
322.28027	0.5
323.09842	0.7
379.12296	1.7
397.13483	27.4
398.13940	1.3
415.14554	20.9
416.14893	1.1
472.43539	0.3
474.59161	0.4
597.45453	2.6
608.62061	0.3
654.28418	0.4
673.34381	0.5
682.30359	0.5
691.35620	1.9
701.37598	0.9
719.38477	3.2
750.77179	0.4
826.94000	0.3
933.32080	0.4
995.48584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.5798
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19839	100.0
125.23013	47.0
158.56985	45.0
196.53857	43.0
366.26895	43.7
438.33286	45.2
519.97693	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	4.2
71.01377	9.1
72.13544	1.8
81.03433	7.5
83.01383	16.9
85.02943	2.0
87.00892	3.0
88.98802	2.7
89.02434	7.2
93.03454	5.5
93.88412	1.7
95.01391	2.4
95.05025	3.4
96.95980	4.3
97.02931	6.5
99.04531	11.5
101.02429	5.6
101.74555	1.7
102.57208	1.9
106.28853	1.6
109.02950	7.9
111.00871	13.2
111.04564	1.8
119.03643	1.7
121.02920	7.6
122.03707	5.0
123.00908	1.8
123.04474	4.1
124.01630	1.9
125.02452	87.7
131.81650	1.6
132.03026	3.1
132.60938	1.7
133.02896	2.0
135.04465	4.9
137.02449	69.2
139.03926	2.7
141.01694	2.7
142.94243	1.7
146.03729	24.2
147.04417	2.9
149.02472	2.7
151.03964	6.5
159.04532	8.3
160.05176	2.7
161.02425	2.3
161.05957	2.5
164.01149	16.6
165.01938	51.3
166.02238	1.7
167.03476	17.1
172.05281	7.2
173.06018	3.0
174.03195	13.9
174.06828	4.1
175.04007	3.9
176.04716	2.3
177.01854	5.7
179.03493	14.0
185.06017	2.6
187.04037	4.5
188.04733	6.5
189.05444	2.1
191.03487	2.0
200.04744	4.8
201.05531	5.2
204.04219	4.7
209.06171	2.1
210.06860	2.0
211.03976	3.7
211.13354	3.2
212.04781	7.2
217.12267	2.0
224.04739	1.9
225.05513	4.4
226.06277	3.1
227.07025	1.9
229.71230	1.8
239.07172	1.8
243.13823	2.6
244.07492	2.3
246.98492	1.7
251.07076	4.7
251.16394	2.4
252.07799	2.7
255.13820	5.1
269.08438	2.0
269.11755	4.8
270.09027	2.3
271.13376	36.4
277.21591	7.9
279.06119	1.9
283.13370	6.3
285.14905	5.9
288.06323	3.1
289.14429	10.1
291.19589	4.8
293.21255	16.3
294.08868	4.1
297.14896	5.1
299.13046	8.3
299.47028	2.2
301.14343	5.0
303.15903	5.2
313.14392	10.0
317.13763	4.2
325.14349	10.7
331.15604	2.6
335.16422	2.0
337.14392	6.7
343.15543	4.7
351.15976	2.9
353.17731	1.8
355.15643	2.8
369.17520	2.8
377.17523	3.5
393.16885	4.2
395.18521	6.1
397.13388	4.5
413.19629	3.6
419.18573	16.1
437.19736	5.7
438.19644	2.9
463.17511	5.2
464.18240	2.0
481.18533	2.1
567.24121	2.4
591.24390	2.4
673.29071	8.6
711.64063	2.0
717.27588	3.8
718.29669	1.9
786.16058	2.1
827.45990	12.0
839.46466	11.0
851.46179	9.2
852.45038	2.8
857.46643	8.7
858.46558	2.4
933.50348	15.7
934.49530	3.3
935.48224	2.0
951.49756	4.2
959.47876	6.6
977.49164	100.0
978.49670	24.7
995.50238	75.4
996.50250	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	989.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.2
70.05315	3.7
71.01373	2.9
77.03928	1.2
81.03452	4.3
83.01383	7.8
83.05080	1.0
85.02936	1.3
87.00902	1.5
89.02446	2.3
93.03448	3.3
95.01396	2.2
95.05025	5.8
97.02958	10.2
98.20435	2.2
101.02408	1.5
108.02168	2.6
109.02225	2.2
109.02953	31.2
113.02445	1.3
116.92849	3.8
119.03407	1.2
121.02953	12.7
122.03719	1.8
123.04526	23.1
125.02447	19.8
125.09784	1.4
128.52676	1.0
131.05074	1.0
133.02948	1.7
135.04517	4.2
137.02428	26.5
139.04053	7.0
143.05023	1.7
144.72260	1.0
145.02963	2.6
146.03728	4.1
147.04427	2.2
149.02463	7.6
150.03299	1.3
151.04002	11.1
152.99442	1.0
159.04504	6.0
160.05292	1.8
161.02452	6.1
161.06070	10.7
162.03171	3.9
163.00323	3.0
163.04018	3.0
164.01147	8.6
165.01938	13.8
167.03476	2.9
171.10216	3.1
174.03148	2.2
175.04015	6.1
175.07599	3.1
175.37450	1.1
176.01181	1.4
177.01872	4.4
177.05455	1.7
179.03481	9.3
183.04553	1.4
185.06067	2.4
187.04033	11.2
188.04800	6.8
189.05711	1.3
199.07698	1.3
202.06325	4.0
203.03520	1.7
203.07124	23.9
205.05051	15.7
212.04747	1.1
221.08203	3.5
223.13445	1.5
227.07175	3.5
231.03012	2.7
245.08163	27.9
246.08499	2.0
247.06079	3.0
255.23314	11.3
271.06128	2.4
271.28030	1.1
277.21387	1.1
279.23111	3.3
289.07178	100.0
290.07562	4.6
327.21783	4.9
328.22040	5.0
329.23242	2.5
368.02216	1.2
397.13367	4.4
399.13809	1.1
471.72556	1.1
474.78244	1.2
483.27432	2.3
517.92920	1.3
837.46307	5.1
887.38727	1.2
945.49084	1.2
971.49744	7.2
989.51105	96.8
990.51355	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05023	1.4
71.12248	0.2
71.50706	0.4
72.99306	17.0
81.03455	7.8
81.97186	0.2
83.05025	29.4
84.05356	0.5
85.06581	0.3
88.04115	0.2
93.03461	2.5
97.02937	0.7
99.04582	0.3
101.02458	0.6
109.02944	2.6
110.03245	0.3
111.04520	29.6
112.04858	0.7
115.04011	10.4
121.86573	0.2
124.97466	0.3
125.02426	0.9
127.04012	66.4
128.04358	1.2
129.05583	5.5
134.03732	2.4
137.02438	4.9
145.01421	0.3
149.06023	0.3
155.03499	51.6
156.03836	1.3
161.02480	0.4
166.89011	0.2
171.03004	2.5
173.04547	0.5
189.04086	1.9
193.05002	1.9
199.02475	35.6
200.02831	1.1
217.03516	100.0
218.03856	2.4
235.04538	3.3
245.08353	0.3
329.01620	0.3
393.08301	6.7
394.08160	0.3
407.07532	0.4
411.09326	5.5
425.08569	0.5
772.62073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.5
69.99850	1.9
71.01378	14.4
72.99291	1.1
73.02949	2.4
83.01384	1.9
85.02943	9.0
87.00865	3.4
88.98801	1.7
89.02443	12.0
89.91245	0.5
95.01374	1.1
97.02939	3.6
97.06564	1.8
99.00864	0.8
99.92543	0.6
101.02438	11.0
105.01907	0.6
111.04515	0.6
113.02456	6.7
115.04017	0.5
116.92849	2.0
119.03495	3.9
121.02972	0.7
125.02467	4.5
125.09742	0.8
127.11324	0.6
131.03487	0.7
137.09706	2.4
139.04004	0.5
143.03502	1.9
158.72105	0.5
161.04555	2.0
165.01898	0.9
171.10271	21.8
172.10588	0.6
179.05603	3.0
183.13863	2.3
201.11227	0.7
209.11855	1.5
211.13382	9.3
221.06644	1.1
221.11855	1.5
227.13229	0.5
229.14427	7.0
235.08171	4.6
239.12860	1.3
253.09253	1.2
275.14764	0.5
279.23273	35.1
280.23813	2.4
287.07666	0.8
291.19675	2.8
305.08707	1.8
309.20761	7.4
310.21167	0.7
312.99414	0.5
323.09891	1.0
327.21738	100.0
328.22141	6.3
397.13477	53.5
398.13745	2.7
415.14545	16.1
416.14813	1.2
589.44934	1.5
677.37213	4.2
707.35028	5.2
708.35248	0.6
725.35767	3.5
726.36932	0.6
987.53400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01318	4.9
71.51639	6.1
74.14777	4.4
96.95991	9.4
116.38666	4.7
117.03431	11.2
119.05032	100.0
121.02979	10.2
125.02426	7.9
132.02968	5.5
145.02972	29.4
149.02429	7.8
150.03247	31.4
163.04001	85.3
165.05562	34.3
179.99591	5.5
195.06664	8.8
209.11781	6.1
502.56879	5.3
520.87939	6.0
545.18152	20.1
727.23480	8.8
741.25500	49.3
742.26526	11.3
826.38934	5.3
905.31067	6.2
923.30969	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	986.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	3.9
75.99925	3.0
79.30288	3.6
86.35240	3.7
93.03532	3.9
96.95985	5.7
98.20714	5.6
117.03445	14.8
119.05014	100.0
121.02953	6.6
125.02391	5.8
126.79248	3.6
137.02402	3.9
145.02913	22.1
146.95564	3.1
149.02399	5.0
150.03221	21.6
157.32285	4.0
163.03999	74.9
165.05508	11.9
177.05556	3.9
180.04349	4.5
194.15723	3.3
207.10237	3.4
209.11804	5.4
229.54187	4.1
263.07449	5.6
264.57483	3.6
271.42023	3.6
545.18024	6.6
693.23248	8.1
729.25452	5.0
741.25610	47.0
742.25836	7.1
905.30164	5.8
923.31653	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24715	4.1
71.01382	0.5
78.04845	0.4
81.03452	0.4
83.00900	0.8
83.01385	7.1
84.70296	0.5
87.00843	0.5
91.18362	0.4
95.01395	1.2
107.01389	23.7
108.02253	0.6
109.02943	1.6
111.00877	0.7
121.02940	1.0
122.03732	0.7
123.00874	1.2
123.04532	7.0
124.01682	2.9
125.02443	24.6
126.02816	0.7
133.02960	2.6
135.04546	2.5
137.02463	0.9
139.00417	0.7
145.02985	0.4
149.02412	3.3
150.03235	12.8
151.00366	100.0
151.03983	17.6
152.01167	13.8
153.01846	1.6
163.04021	0.7
165.01880	0.6
169.01401	2.9
171.04431	0.5
174.03270	0.9
175.03992	4.5
176.01190	1.5
177.01904	5.7
178.99854	18.9
180.00137	0.8
181.01387	1.0
183.43690	0.4
185.06096	0.7
189.05554	1.1
193.05162	0.8
199.04045	3.6
201.00317	0.5
201.02011	1.0
211.03938	0.8
213.05583	0.9
215.03348	1.1
216.04233	0.9
217.05049	3.4
241.05083	2.9
243.03033	1.5
255.03003	0.9
256.03531	0.5
257.04568	1.6
259.06113	1.3
271.02481	1.4
275.05569	1.3
285.04034	57.3
286.04437	3.4
289.07037	0.6
297.09933	2.6
300.02606	2.3
301.03427	2.6
302.04205	2.7
303.05078	35.0
304.05341	2.1
323.07590	2.7
431.09903	1.4
447.09171	3.6
448.09796	2.4
449.10843	72.1
450.11240	6.8
480.50311	0.4
537.32861	0.6
538.19159	0.5
539.21405	4.0
547.55560	0.5
633.33453	0.5
666.70215	0.5
995.40948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99562	1.6
69.03432	1.3
71.01377	20.4
71.50145	0.7
72.99303	2.1
73.02934	2.6
75.00880	0.7
83.01376	1.9
85.02937	4.4
87.00870	5.0
88.98788	1.2
89.01926	1.3
89.02443	16.0
90.54393	0.7
92.95780	0.6
95.01387	1.3
97.02935	3.1
101.02434	12.7
105.01942	4.4
109.02929	0.7
111.00904	0.9
111.08144	3.4
113.02442	8.3
113.09723	9.4
116.92875	4.6
119.03481	5.5
119.67689	0.7
121.02971	1.2
125.02435	5.9
131.03516	1.3
139.03857	0.8
139.11273	1.1
143.03467	2.1
161.04543	3.4
165.01894	1.5
167.10770	2.3
171.76251	0.7
177.12793	1.6
177.42279	0.7
179.05597	4.7
179.10767	1.6
179.14348	0.9
190.15648	0.7
195.13904	13.9
196.14322	1.2
209.11823	1.0
221.06630	2.2
223.13390	4.6
235.08226	3.3
247.20445	0.9
249.22336	0.8
256.13174	1.1
263.07800	1.5
273.18787	0.8
275.20105	3.0
277.21729	7.7
287.07803	0.9
291.19650	34.5
292.19946	2.2
293.21213	100.0
294.21478	7.2
295.22772	57.3
295.26300	0.9
296.23083	3.0
302.79404	0.8
305.08704	1.4
309.20706	1.1
327.21799	1.3
379.12299	1.4
397.13483	26.5
398.13861	1.8
415.14563	13.7
416.15100	1.1
445.35712	0.8
567.73785	0.7
587.42914	0.8
947.49908	0.8
967.50287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	2.7
71.01380	14.4
72.99303	1.3
73.02957	2.1
75.00895	0.3
81.03467	1.0
83.01379	1.7
83.05021	0.9
85.02950	11.0
87.00882	3.9
89.02443	13.9
95.01386	1.2
95.05018	0.7
97.02946	4.3
97.06591	1.9
98.20757	0.6
99.00864	0.7
99.04553	0.3
99.08127	0.4
101.02442	10.8
103.18871	0.3
109.02955	0.4
109.06564	0.4
110.03722	0.3
111.04486	0.3
111.08118	0.7
113.02452	5.9
116.92812	0.5
119.03497	3.7
119.08627	0.5
121.02937	0.6
123.08176	0.4
125.02448	4.3
125.03920	0.4
125.09729	1.7
127.11287	1.3
131.03519	0.5
137.09750	2.4
139.04080	0.3
139.11238	0.5
143.03523	2.5
149.04575	0.4
155.10774	0.7
155.14458	0.4
161.04533	2.2
165.02002	0.5
165.12846	0.6
165.93739	0.3
167.10794	0.3
167.14439	0.7
169.12415	0.6
171.10266	25.4
172.10594	1.0
177.12828	0.8
179.05620	4.5
183.13893	2.5
185.11829	0.4
193.12315	1.2
195.13895	2.5
197.11848	2.5
201.11278	1.4
209.11810	1.7
211.13393	13.9
212.13721	0.5
221.06618	2.8
221.11850	2.0
223.13475	0.6
227.12851	0.4
229.14417	9.3
230.14886	0.4
235.08238	3.6
239.12912	1.6
247.20702	0.5
253.09314	0.8
256.13034	0.5
257.13849	0.4
275.20087	0.8
277.21707	20.1
278.22055	1.1
287.07715	1.4
291.19687	5.7
293.21234	17.5
294.21582	1.4
295.22769	8.4
296.23117	0.9
305.08792	1.8
309.20694	16.0
310.21030	1.3
311.22275	16.2
312.22638	1.0
318.46881	0.4
323.09879	1.2
327.21741	100.0
328.22125	6.0
379.12424	0.6
397.13486	29.0
398.13898	1.7
415.14584	18.8
416.09796	0.4
416.15033	0.8
545.30096	0.4
574.67999	0.4
587.43182	3.3
588.43744	0.6
675.35828	1.6
702.12805	0.5
707.34894	5.6
708.35455	0.6
709.36310	1.1
710.07684	0.4
725.35986	5.7
985.56793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94400	1.2
70.94720	1.2
71.01376	3.9
73.02922	1.0
83.36500	0.8
85.02919	1.4
87.59470	0.8
89.02425	2.1
96.95989	2.1
101.02446	3.4
101.49909	0.7
109.02951	0.9
113.02426	1.8
119.03505	0.8
121.02991	0.8
123.04536	1.0
125.02441	3.5
132.02936	1.1
137.02452	2.3
149.11362	0.9
150.88533	1.0
161.04533	1.4
165.05573	1.0
165.11777	0.8
165.12856	8.3
183.13885	76.5
184.14236	3.7
209.11806	1.7
227.12869	7.2
253.09302	2.0
268.19162	0.8
289.07153	1.2
393.18723	0.8
453.97125	1.0
463.21841	100.0
464.22141	7.8
501.88837	0.9
528.02625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99841	0.5
69.03457	1.3
71.01382	17.1
72.99325	1.1
73.02958	2.1
73.80685	0.4
83.01400	2.0
83.05034	1.1
85.02950	3.9
87.00874	4.5
89.02444	14.1
95.01383	1.1
95.05079	0.5
97.02949	2.4
98.15034	0.4
99.00877	0.9
99.04485	0.5
101.02444	11.4
109.06591	1.1
111.04549	0.7
111.08156	9.8
113.02457	6.6
113.09737	0.8
119.03493	3.5
121.03020	0.4
125.02455	4.2
125.09793	0.4
127.07654	1.1
129.01949	0.6
137.09761	0.4
139.04031	0.5
143.03500	2.1
151.11269	0.6
153.12843	0.7
153.33736	0.4
161.04541	2.6
167.10774	1.0
167.14445	0.6
169.12361	4.2
171.10262	1.3
179.05614	4.4
179.10797	0.7
179.14395	1.1
180.12924	0.4
181.12303	1.1
183.13940	1.1
195.13908	10.4
196.14539	0.7
197.11824	46.3
198.12180	1.6
199.13390	2.8
205.12361	0.8
211.13380	7.5
212.13603	0.4
221.06606	1.7
223.13388	5.3
227.12904	1.1
228.13672	0.6
231.21149	0.7
235.08206	3.7
235.66284	0.4
239.12843	0.7
247.20650	0.5
249.22044	0.4
253.09305	1.0
256.13135	1.4
263.07541	0.5
263.20203	2.9
265.18106	1.1
265.21512	0.7
273.18524	1.1
275.20126	5.3
287.07761	1.1
289.18192	0.7
291.19638	15.9
292.19904	1.8
293.21219	100.0
294.21503	7.1
305.08676	1.1
307.18945	0.6
308.19431	0.4
309.20703	90.1
310.21008	7.2
323.09567	0.9
333.20770	0.6
368.83481	0.4
379.12415	1.8
397.13504	32.7
398.13870	1.7
415.14584	21.9
415.19205	0.5
416.14932	1.8
585.41766	3.2
586.41895	0.5
595.26337	0.6
654.27332	0.5
670.98096	0.5
673.34460	0.6
689.33807	2.3
691.35449	3.0
707.34857	2.4
708.35431	0.5
789.85010	0.4
793.24536	0.5
889.21558	0.4
983.56683	0.5
984.54688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.8
70.79916	0.8
70.80245	0.4
71.01380	15.5
72.99321	1.2
73.02949	2.4
78.70456	0.4
81.03516	0.7
83.01384	1.8
83.05026	0.9
85.02953	3.9
87.00869	3.5
89.02443	13.1
90.26114	0.3
95.01406	1.3
95.05025	0.5
97.02954	4.3
99.00883	1.1
101.02438	10.5
107.05105	0.4
109.06618	0.7
111.08168	5.5
113.02447	6.5
113.03169	0.6
114.02738	0.3
119.03510	3.4
121.10187	0.4
125.02453	4.8
125.09696	0.4
127.07614	0.5
131.03539	0.8
137.09746	0.9
139.04025	0.4
143.03499	2.3
149.04532	0.4
153.12856	0.6
161.04581	2.6
163.11261	0.7
165.12877	2.2
167.10822	0.5
167.65340	0.3
169.12314	2.0
171.10301	2.2
177.12859	0.6
179.05592	4.8
179.10815	0.4
179.14381	1.0
181.12384	0.9
183.13802	0.6
185.04456	0.4
193.12401	0.4
195.13892	8.6
196.14581	0.7
197.11821	22.3
198.12102	1.0
199.13382	1.1
205.15985	0.7
209.11794	1.3
211.13393	4.2
211.15245	0.6
221.06660	1.4
223.13373	6.7
224.13914	0.5
225.15001	0.9
227.12820	1.8
228.13608	0.8
231.21141	0.5
235.08180	4.0
247.20634	1.9
253.09370	1.1
256.13211	1.3
263.07700	0.5
263.20148	1.4
265.18134	0.6
273.18640	0.9
275.20114	4.8
276.20633	0.4
287.07800	1.2
291.19653	19.4
292.20032	1.8
293.21216	100.0
294.21527	6.5
305.08780	1.4
309.20697	64.2
310.21121	4.4
317.21234	0.6
323.09808	0.7
333.20529	0.4
372.02536	0.4
379.12375	1.6
397.13486	30.1
398.13736	2.1
415.14545	17.4
416.14828	0.9
451.92255	0.4
585.41821	3.2
586.42230	0.5
601.04358	0.5
673.34406	0.7
689.33856	1.6
691.35248	2.3
707.34790	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	983.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	2.0
69.97373	0.8
69.97764	1.3
71.01381	14.7
72.99332	1.6
73.02953	2.4
81.03483	1.2
83.01402	1.9
83.05048	0.8
85.02965	4.4
85.94337	0.4
87.00880	2.8
89.02444	12.3
93.34915	0.4
95.01431	1.3
95.05029	0.4
97.02946	5.5
97.06612	0.9
99.00891	0.9
100.75156	0.4
101.02448	10.8
109.06622	0.9
111.04595	0.4
111.08162	3.7
113.02458	5.9
115.03957	0.5
119.03526	3.2
119.08643	0.5
125.02441	4.0
125.09724	0.9
127.07684	0.9
131.03548	0.6
137.09749	1.5
139.03986	0.5
141.01982	0.6
143.03493	2.0
149.04568	0.4
151.11264	0.4
153.09250	0.6
153.12938	0.5
161.04529	2.6
163.11302	1.1
165.12822	1.8
167.10791	0.6
169.12364	1.0
171.10265	3.3
177.12852	0.5
179.05605	4.3
179.14360	1.2
181.12338	2.0
183.13911	1.3
193.12389	1.2
193.34154	0.4
195.13893	9.6
196.14555	0.7
197.11826	15.5
199.13321	0.8
205.12384	0.6
205.15944	0.5
209.11882	1.0
211.13354	5.2
221.06686	1.5
223.13394	5.0
227.12927	1.5
228.13626	0.8
231.21227	0.5
235.08235	3.9
245.06552	0.5
247.20604	1.8
253.09335	0.7
254.06941	0.4
256.13174	1.1
263.19952	0.5
273.18628	0.8
275.20193	5.9
287.07791	0.7
291.19659	20.7
292.20007	1.4
293.21225	100.0
294.21606	5.7
305.08624	1.1
309.20703	82.2
310.21045	6.2
323.09863	1.1
379.12305	1.4
391.10028	0.4
397.13516	31.0
398.13647	1.6
415.14584	20.1
415.19089	0.4
416.14676	1.0
472.21207	0.4
585.41632	3.4
586.41425	0.6
673.34113	0.7
689.34143	1.9
691.34937	2.3
707.35284	2.8
983.54932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99554	0.9
69.03445	1.5
70.98226	0.9
71.01382	19.8
72.99303	1.4
73.02943	3.2
73.05259	0.4
75.00863	0.8
75.73170	0.4
81.03432	0.7
83.01402	2.5
83.05028	0.7
85.02951	4.8
87.00883	4.5
89.02444	17.4
93.03481	0.8
95.01382	0.9
95.05041	1.2
97.02946	2.5
97.06564	0.5
99.00881	1.2
101.02441	15.1
107.46415	0.4
109.06627	0.5
111.04549	0.6
111.08160	8.0
113.02453	9.2
113.09734	0.5
119.03516	4.8
125.02466	4.2
125.09589	0.5
127.04073	0.5
131.03529	0.9
137.09679	0.5
141.01973	0.8
143.03484	2.6
149.04591	0.6
149.09673	0.8
161.04535	3.2
167.01723	0.4
167.10760	2.2
169.12334	0.5
177.12859	2.5
179.05623	5.2
179.10786	1.9
179.14417	1.0
181.12357	0.5
195.13887	13.5
196.14711	1.0
197.11848	0.5
205.12357	0.6
209.11861	0.7
211.13475	0.5
217.07150	0.5
221.06667	1.9
223.13385	6.8
224.14098	0.6
225.14934	0.6
228.13815	0.6
235.08179	3.9
247.20718	2.0
253.09265	1.3
256.13104	2.4
263.08054	0.4
273.18597	0.9
275.20154	6.1
277.21771	0.5
287.07849	0.6
291.19653	84.6
292.19968	5.1
293.21225	100.0
294.21527	6.0
305.08743	1.3
309.20795	1.1
323.09839	0.8
325.20108	0.6
328.24609	0.5
379.12549	1.4
397.13467	25.9
398.13892	1.7
415.14536	12.9
416.15222	0.8
509.57678	0.4
555.56177	0.5
605.78015	0.5
654.26788	0.5
655.08612	0.5
671.32001	0.6
689.33783	1.3
850.54193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04713	0.4
69.17276	0.3
72.00902	1.0
74.02471	9.7
81.04584	0.6
82.02973	1.0
83.01395	0.5
85.38550	0.3
86.02480	3.8
86.06114	0.5
86.99104	0.6
87.05631	2.6
90.00193	1.2
97.02981	0.6
97.04090	1.1
98.02539	0.3
99.05643	9.0
100.04053	0.4
100.11912	0.4
101.07200	1.1
102.05598	1.2
106.46661	0.3
107.06160	0.6
109.02945	1.5
109.04068	0.9
111.04477	0.3
111.05658	0.7
112.04063	0.9
116.01751	0.8
120.01237	0.3
123.04523	0.9
123.05658	0.6
124.03995	0.5
125.02455	7.2
125.03388	0.6
127.05138	1.6
128.03542	26.2
129.03902	0.6
131.04669	0.5
135.05621	2.3
137.02457	1.6
137.07187	0.5
141.06712	2.4
143.04625	36.0
144.05011	0.4
145.06216	1.7
146.04593	3.7
149.02434	0.6
151.03952	1.1
153.06683	2.5
155.08305	0.6
160.00735	9.8
161.02451	2.2
163.00362	0.4
165.01822	0.4
166.09837	1.9
167.04628	3.2
167.08253	1.2
170.03314	0.5
171.07724	0.5
175.03983	1.0
177.01967	0.5
177.03389	3.9
179.03224	0.6
179.04637	7.3
181.06209	1.1
184.10843	0.4
185.05682	1.3
187.03983	0.5
192.07811	0.9
197.05646	1.4
198.08855	0.4
203.07236	0.7
205.04962	0.6
210.08830	8.3
213.03490	0.4
217.03458	0.4
228.09982	0.5
229.05074	0.4
229.36327	0.3
231.04433	0.5
242.07707	1.2
245.04456	0.4
245.08160	1.2
254.07782	6.3
255.03008	1.1
272.08887	11.8
273.04257	0.5
273.09225	0.8
287.05560	0.9
288.06561	5.0
289.07156	5.1
299.05789	0.5
306.07645	100.0
307.07944	3.8
404.14932	15.7
405.15097	1.0
407.07715	5.0
408.08087	0.6
408.94400	0.4
425.08713	5.4
426.08960	0.6
451.10260	1.0
485.46396	0.3
577.13641	3.8
856.16064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	2.9
71.01384	30.5
71.49397	1.5
71.49851	2.0
72.17802	1.5
72.99310	3.0
73.02940	3.5
74.37229	1.2
75.00896	1.4
78.95911	2.8
83.01385	5.1
83.05019	1.8
85.02956	7.8
87.00877	6.2
89.02448	27.0
95.01388	1.7
95.05010	3.1
97.02934	5.1
97.06569	1.9
99.00893	3.0
99.92577	2.0
101.02436	24.7
109.06583	2.8
111.08183	8.0
113.02437	12.2
116.92855	7.7
119.03537	8.9
123.08167	2.1
125.02451	9.6
127.07692	4.4
137.09775	1.6
141.01988	2.1
142.05161	1.5
143.03491	5.6
151.11206	2.0
155.50264	1.4
158.76941	1.3
161.04582	4.3
167.10730	3.4
171.10214	3.2
177.12804	2.8
179.05612	10.1
179.10770	2.3
179.14262	1.9
181.12201	1.3
189.41995	1.5
191.14398	2.5
195.13867	14.6
209.15462	1.6
221.06679	2.6
223.13358	6.3
233.15508	1.5
235.08232	6.5
235.13379	4.3
237.91522	1.4
245.19075	5.1
247.20576	1.4
253.14204	1.9
255.23328	4.4
256.23611	2.0
263.20233	3.0
275.20190	4.3
289.15082	2.7
289.18097	34.5
290.18408	2.2
291.19644	67.9
292.20105	3.3
293.21237	100.0
294.21564	7.1
305.08981	1.9
307.19138	68.4
308.19427	5.0
309.20798	1.6
325.20190	1.6
334.40469	1.7
343.21268	4.0
344.21774	3.9
345.21991	2.6
379.12320	2.9
397.13531	42.2
398.13766	4.7
415.14548	17.3
435.91284	1.5
524.80432	1.8
633.28070	1.8
687.32025	7.8
699.91949	1.7
704.93823	1.5
705.33356	10.7
909.48334	2.7
914.37891	1.5
960.18427	1.6
981.54889	17.9
982.55383	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	981.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.8
71.01379	17.1
71.49894	0.5
72.99307	1.7
73.02945	2.3
78.95869	0.3
80.02660	0.5
81.03465	2.0
83.01398	2.3
83.05012	1.1
85.02956	3.9
87.00883	4.3
87.32642	0.4
89.02443	13.9
91.04010	0.5
93.03472	0.5
95.01385	1.0
95.05007	1.3
96.13415	0.4
96.95995	0.9
97.02940	3.5
97.06590	2.6
99.00884	1.0
99.04519	0.5
101.02439	12.2
109.02949	0.6
109.06555	0.6
111.00901	0.6
111.04489	0.7
111.08164	0.7
113.02445	7.2
116.92854	0.6
119.03510	4.2
121.02913	0.6
121.06604	0.9
123.04520	1.5
123.08151	1.5
125.02448	4.8
125.06091	0.6
125.09720	4.4
131.03551	1.0
133.05049	0.4
135.08156	0.5
137.06120	0.6
137.09698	1.5
141.01869	0.7
141.12897	0.4
142.02676	0.4
143.03473	2.0
149.04663	0.4
149.06102	0.7
161.04547	3.5
162.10510	0.4
163.07652	0.6
163.11284	4.5
165.09053	0.6
165.12810	1.1
167.10777	1.1
177.12875	0.6
179.05583	3.9
179.10748	0.8
179.14418	0.9
181.12328	0.6
185.11838	4.1
189.12907	0.4
191.10687	0.5
191.14403	5.2
195.13870	8.5
195.15567	0.6
197.11806	0.8
205.15942	0.6
207.10257	2.1
209.11804	10.3
210.12158	0.5
211.13420	2.9
217.07047	0.5
217.15955	1.5
221.06602	2.0
223.13409	5.5
224.13930	0.5
225.11314	1.6
227.12895	0.8
228.13646	0.6
235.08214	3.5
237.11305	2.8
239.12868	0.6
245.19084	10.9
246.19365	0.8
253.09227	1.1
255.23427	0.5
256.13187	1.6
263.07718	0.6
263.20102	2.2
265.21832	0.4
271.17026	1.7
275.20142	4.3
276.20401	0.6
281.21207	0.8
283.94824	0.4
287.07712	1.3
289.18091	45.3
290.18420	4.0
291.19662	2.1
293.21216	100.0
294.21533	7.5
295.22806	0.8
305.08749	0.9
305.17743	0.6
307.19141	47.2
308.19507	3.2
309.20581	2.1
323.09912	0.9
325.20026	0.5
379.12344	1.5
397.13483	29.2
398.13882	1.8
415.14526	14.4
416.15039	1.0
555.88275	0.4
583.39929	0.7
607.25867	0.6
687.31873	2.3
705.33386	2.8
771.58344	0.5
883.47192	0.8
912.47278	0.5
981.53870	3.6
982.54529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	2.9
71.01384	30.5
71.49397	1.5
71.49851	2.0
72.17802	1.5
72.99310	3.0
73.02940	3.5
74.37229	1.2
75.00896	1.4
78.95911	2.8
83.01385	5.1
83.05019	1.8
85.02956	7.8
87.00877	6.2
89.02448	27.0
95.01388	1.7
95.05010	3.1
97.02934	5.1
97.06569	1.9
99.00893	3.0
99.92577	2.0
101.02436	24.7
109.06583	2.8
111.08183	8.0
113.02437	12.2
116.92855	7.7
119.03537	8.9
123.08167	2.1
125.02451	9.6
127.07692	4.4
137.09775	1.6
141.01988	2.1
142.05161	1.5
143.03491	5.6
151.11206	2.0
155.50264	1.4
158.76941	1.3
161.04582	4.3
167.10730	3.4
171.10214	3.2
177.12804	2.8
179.05612	10.1
179.10770	2.3
179.14262	1.9
181.12201	1.3
189.41995	1.5
191.14398	2.5
195.13867	14.6
209.15462	1.6
221.06679	2.6
223.13358	6.3
233.15508	1.5
235.08232	6.5
235.13379	4.3
237.91522	1.4
245.19075	5.1
247.20576	1.4
253.14204	1.9
255.23328	4.4
256.23611	2.0
263.20233	3.0
275.20190	4.3
289.15082	2.7
289.18097	34.5
290.18408	2.2
291.19644	67.9
292.20105	3.3
293.21237	100.0
294.21564	7.1
305.08981	1.9
307.19138	68.4
308.19427	5.0
309.20798	1.6
325.20190	1.6
334.40469	1.7
343.21268	4.0
344.21774	3.9
345.21991	2.6
379.12320	2.9
397.13531	42.2
398.13766	4.7
415.14548	17.3
435.91284	1.5
524.80432	1.8
633.28070	1.8
687.32025	7.8
699.91949	1.7
704.93823	1.5
705.33356	10.7
909.48334	2.7
914.37891	1.5
960.18427	1.6
981.54889	17.9
982.55383	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	981.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.2
71.01379	14.1
71.05018	1.8
72.99308	1.6
73.02950	2.1
75.00842	0.3
80.02669	0.7
81.03447	1.5
82.61230	0.3
82.95416	1.1
83.01382	1.6
83.05022	0.6
85.02940	3.3
87.00874	3.6
89.02443	12.9
93.03465	0.4
95.01389	1.8
95.05021	1.2
97.02953	2.3
97.06573	0.6
98.03745	0.5
99.00877	1.1
99.04535	0.3
101.02437	11.3
102.02807	0.3
102.53152	0.2
106.04233	0.6
107.05031	0.4
109.02940	0.5
109.06586	8.2
110.06897	0.3
111.00947	0.2
111.04512	3.3
111.08157	1.5
113.02449	7.0
113.09727	0.4
115.04007	0.5
119.03496	3.8
119.04910	0.3
119.20171	0.3
121.02995	0.2
121.06615	0.3
121.10207	0.3
122.68568	0.3
123.08159	1.1
124.32856	0.2
125.02440	4.7
127.07613	1.1
131.03493	0.4
133.05116	0.4
135.08188	0.6
135.11812	0.3
137.06065	0.4
137.09715	0.8
139.04013	0.3
141.01949	0.5
141.09181	0.4
141.22565	0.2
143.03499	2.2
143.10811	1.2
145.04991	0.2
145.06596	1.8
149.06067	0.4
149.09721	1.1
151.11285	0.7
159.08136	0.4
161.04544	2.6
167.10722	2.0
169.04987	0.3
171.10268	0.3
177.09239	0.4
177.12825	0.7
179.05603	4.2
179.10760	1.1
179.14381	1.0
181.12381	0.6
191.14418	0.5
195.13895	8.4
196.14410	0.7
199.06023	0.2
205.12337	0.7
205.15927	0.4
211.13422	0.4
217.07138	0.3
217.15953	0.4
221.06676	1.7
223.13397	5.5
224.13898	0.3
225.14844	0.4
227.18083	0.2
228.13637	0.3
229.16101	0.3
231.21283	0.3
233.15340	0.3
235.08228	3.9
235.13417	1.0
236.08459	0.4
243.17537	0.3
245.19080	5.2
245.21588	0.3
246.19408	0.4
249.14801	0.5
251.16483	0.4
253.09297	1.0
256.13239	1.2
263.07623	0.4
265.21698	0.5
271.16901	1.5
273.14978	0.5
275.20120	4.2
276.20203	0.3
287.07764	0.8
287.16528	2.1
289.18079	92.2
290.15189	0.4
290.18405	6.8
291.19525	0.7
293.21207	100.0
294.21542	6.9
297.15186	1.0
305.08694	1.6
307.19147	5.8
308.19553	0.4
317.21115	0.2
323.09723	1.1
331.19217	0.7
353.08884	0.3
379.12418	2.3
397.13474	34.8
398.13730	2.0
415.14548	14.1
416.14758	0.6
565.39203	0.4
648.03442	0.2
654.27570	0.3
669.31195	0.7
673.34454	0.8
687.32385	3.8
688.32849	0.7
688.46161	0.3
691.35492	1.1
963.51794	0.3
973.90851	0.3
981.54236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.0
71.01009	0.8
71.01385	13.5
72.99303	1.0
73.02937	1.9
81.03467	0.6
83.01379	1.5
83.05018	1.1
84.02162	1.4
85.02950	3.1
87.00874	3.8
89.02451	11.3
89.02997	0.6
95.01394	1.5
97.02956	3.0
97.06602	5.6
99.00871	0.6
101.02436	11.2
111.04482	0.5
112.98602	0.5
113.02461	5.6
116.92847	0.6
119.03491	3.9
125.02440	4.4
125.09737	0.9
137.09750	0.7
143.03505	1.6
149.13268	0.5
161.04552	1.6
171.10263	6.6
179.05586	2.6
185.11539	0.5
193.12325	8.1
211.13425	1.2
225.14973	12.5
226.15318	0.6
235.08290	3.6
243.15977	6.2
244.16850	0.6
253.09276	0.9
253.14461	1.1
255.23282	37.3
256.23605	1.8
263.07599	0.7
287.07733	1.2
291.19754	1.4
305.08755	1.4
323.09781	0.7
323.22339	1.2
327.21658	0.5
340.37323	0.5
341.23309	100.0
342.23669	6.1
379.12280	2.4
397.13483	37.5
398.13898	2.1
415.14520	8.5
452.76114	0.5
512.55591	0.5
579.46124	2.2
653.37415	3.3
721.36627	2.1
739.37238	2.4
964.54529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	30.8
71.49802	16.0
73.32349	17.2
88.98797	32.0
96.96056	29.0
116.92844	100.0
119.94678	19.4
135.40166	17.3
152.50563	16.6
158.03606	23.0
197.72849	18.1
214.48389	21.2
223.13304	33.6
224.13762	27.5
309.20685	21.2
969.29236	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	976.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18249	100.0
71.01392	13.3
85.13499	10.1
88.98808	26.4
93.03466	10.7
116.92902	31.4
121.02924	10.7
131.21190	10.3
204.47694	9.2
209.11780	12.4
210.76443	11.1
217.89021	12.2
223.13512	9.9
255.23764	11.4
291.19571	11.0
489.70078	9.7
502.20837	9.7
933.11816	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	976.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04705	100.0
87.60784	39.4
98.20008	69.2
110.20602	41.1
127.79535	39.2
167.42902	43.7
228.67352	43.1
663.90961	52.9
852.87714	44.4
915.61835	51.6
922.00708	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.439
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99800	1.8
69.03458	4.8
71.01385	5.9
73.02948	1.6
74.80856	1.7
77.03976	2.2
81.03452	9.7
83.01387	25.4
83.05035	4.9
84.02186	2.1
85.03001	2.2
89.02444	4.2
93.03451	7.3
95.01408	3.0
95.05023	7.0
97.02946	11.1
99.04503	6.0
101.02428	4.9
107.05068	2.0
109.02956	17.5
113.02460	3.3
119.05042	1.9
121.02937	13.7
122.03727	5.1
123.00902	2.4
123.04520	7.5
124.01623	2.4
125.02444	100.0
126.02763	2.3
131.04910	1.9
133.02997	3.8
135.04526	6.9
137.02440	91.2
137.63228	1.6
138.02794	3.0
139.03990	4.6
146.03738	31.4
147.04472	4.8
149.02446	7.1
150.03221	3.8
151.04013	6.9
156.15135	2.0
157.06100	2.6
159.04503	13.8
160.05269	6.6
161.02440	6.2
161.06017	3.2
162.03235	4.4
163.04021	2.9
163.11327	4.1
164.01157	23.8
165.01920	59.3
165.05574	1.7
167.03491	28.1
172.05272	7.7
173.06020	5.6
174.03201	14.8
174.06822	3.9
175.03976	9.4
176.04782	3.3
177.01897	8.8
179.03493	19.6
181.05032	1.9
185.06099	3.5
186.06819	2.0
187.03996	8.4
188.04832	13.5
189.05479	3.4
190.02693	2.4
191.03514	2.1
193.36028	2.2
197.05986	2.9
199.07574	2.2
200.04822	6.4
200.08240	1.7
201.05576	5.0
202.06406	2.3
203.07162	3.4
204.04173	8.5
205.05069	2.7
209.06067	2.3
209.11809	43.4
211.04071	3.3
211.07570	1.8
211.13382	3.8
212.04826	7.0
213.05450	2.5
215.10626	2.0
223.07593	2.4
225.05591	7.7
226.06265	3.9
227.07117	1.7
237.05550	2.0
243.13881	2.2
245.08224	4.8
251.07193	4.1
252.07945	3.6
253.09097	1.9
253.12225	1.8
255.13837	3.2
257.15491	2.0
268.07285	3.7
269.08447	1.8
269.11835	7.1
269.15213	2.0
270.08856	3.0
270.12271	1.7
271.13358	40.2
272.13705	2.8
283.13419	6.7
283.16937	1.6
285.15002	5.0
287.05850	1.9
287.12875	3.2
289.07254	13.8
289.14435	13.6
294.08975	6.0
295.13382	3.9
297.15015	9.1
299.12823	9.6
301.14435	6.3
309.14877	3.4
311.12921	2.2
313.14401	24.2
315.16034	6.8
317.13962	6.0
325.14435	14.4
331.15485	6.7
335.16580	3.8
337.14456	11.3
338.14545	1.9
343.15421	9.6
351.15903	1.7
353.17651	4.5
355.15417	5.9
377.17535	4.1
379.15305	3.8
391.15115	3.1
393.17059	3.4
395.18463	6.0
419.18607	20.6
437.19684	14.0
445.16293	2.0
463.17532	6.4
567.24329	6.9
578.92438	1.8
591.24542	2.3
673.28424	7.7
699.26227	1.9
747.35815	2.2
761.37994	3.5
777.37042	26.8
778.37360	4.1
789.36786	12.8
801.36951	7.4
802.37213	2.0
807.37689	11.0
808.38385	3.1
883.41113	15.8
884.41376	2.8
898.62024	1.9
909.39105	5.9
927.40240	90.8
928.40637	19.0
945.41217	76.0
946.41107	20.0
959.42560	20.7
960.42029	6.0
977.43823	33.3
978.43726	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	973.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	4.1
69.96632	1.9
70.97420	3.9
71.01377	8.0
72.99299	2.2
73.02930	2.5
75.00867	3.2
77.04003	2.0
81.03463	3.3
83.01381	15.4
85.02917	3.0
87.00841	2.4
88.98782	2.3
89.02428	5.6
93.03455	4.8
95.01355	2.9
95.05031	5.1
97.02934	6.3
99.04527	3.8
100.61261	1.6
101.02446	4.7
109.02942	9.0
111.00854	3.0
113.02438	3.1
116.92848	3.5
121.02976	10.5
122.03715	2.3
123.00913	1.9
123.04546	3.5
124.01659	2.6
125.02445	100.0
135.04520	3.5
137.02446	80.4
143.03436	2.4
146.03722	19.8
147.04459	2.5
147.21103	1.6
149.02406	3.0
150.03203	5.1
151.03960	4.0
159.04524	7.2
160.05197	3.4
161.04521	2.1
161.05992	2.3
164.01178	14.8
165.01926	49.5
167.03494	13.9
168.46712	1.8
172.05267	4.0
174.03168	12.9
174.06816	2.5
175.03973	4.4
177.01932	6.3
179.03523	11.8
185.06123	1.8
186.06834	2.1
187.04001	2.8
188.04784	4.1
195.13869	7.1
196.14270	2.4
200.04764	3.7
201.05449	4.2
204.04172	4.8
209.05933	2.2
211.13359	2.8
212.04793	5.0
225.05528	6.2
226.06145	2.6
235.08163	3.1
237.05537	2.1
252.07869	3.1
253.12248	2.3
255.13910	3.4
255.23283	39.0
268.07495	5.1
269.11823	2.8
270.08942	4.7
271.13394	33.6
272.13882	2.2
277.21741	10.0
278.22083	3.0
283.13330	2.8
285.14856	2.5
289.14444	5.6
294.08929	2.5
295.22754	38.1
296.23068	27.1
297.14880	4.4
297.23328	5.7
299.12897	8.4
301.14307	2.9
313.14441	5.8
317.14014	3.8
325.14462	9.9
335.16498	1.9
337.14398	8.1
343.15509	6.6
355.15567	2.8
377.17700	3.8
379.15649	2.9
391.19153	2.8
393.17087	2.6
395.18668	4.2
397.13690	8.6
398.14056	3.6
415.14362	5.4
419.18539	14.1
432.88959	1.8
437.19675	6.7
463.17670	5.4
481.18854	2.4
758.91907	1.9
817.46899	4.9
829.47906	6.3
835.47369	8.5
911.52264	14.4
929.51331	2.8
937.49628	2.9
955.50537	88.1
956.51404	15.3
973.51617	76.9
974.52356	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	973.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	4.4
71.01384	7.2
71.25525	2.6
78.63026	2.6
81.03452	6.6
83.01397	19.0
88.98814	3.5
89.02442	7.6
93.03461	6.1
95.01398	3.8
95.04999	4.5
97.02930	8.2
97.43880	2.4
98.45539	2.4
99.04556	3.5
101.02454	8.5
109.02942	10.8
113.02451	7.3
116.92863	12.3
117.92891	3.2
121.02950	7.9
123.04566	4.4
125.01524	4.9
125.02445	90.9
130.14229	2.8
135.04478	3.5
137.02435	73.8
139.03954	2.7
146.03683	20.2
147.04538	2.9
149.02388	3.1
150.03265	2.9
151.03990	5.7
159.04482	14.4
164.01169	15.7
165.01942	49.1
167.03493	20.8
172.05228	8.6
173.06023	5.5
174.03189	11.8
174.06818	4.5
177.01962	6.0
179.03473	13.9
187.03903	2.8
187.07652	3.3
188.04793	8.4
196.05460	3.1
200.04715	5.3
201.05531	4.6
204.04156	3.5
210.06841	2.6
211.03941	2.9
211.07655	2.9
212.04715	6.3
225.05508	6.0
225.12798	2.8
239.07111	4.1
255.23262	58.0
269.07947	3.0
269.11758	4.5
271.13382	29.8
277.21616	24.9
285.15018	3.1
289.14407	7.7
294.08862	5.9
297.14883	3.0
299.12802	8.8
300.13596	2.8
301.14316	3.0
309.14880	3.4
313.14410	10.7
325.14313	12.4
331.44162	2.7
335.16302	2.9
337.14368	8.6
343.15607	6.7
377.17474	3.7
379.12347	6.7
397.13232	16.3
415.14297	3.0
419.18509	18.7
437.19763	8.9
463.17490	6.8
606.25537	2.7
673.28369	4.7
699.26672	3.1
805.47162	9.0
817.47229	9.4
829.47760	9.9
835.47937	9.0
847.49664	3.1
871.48016	4.1
911.51550	20.1
912.51898	3.8
929.51489	3.8
937.49487	7.9
955.50568	100.0
956.50751	19.0
973.51770	78.5
974.52728	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	969.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99837	0.2
69.03449	0.9
71.01379	10.4
72.99306	0.9
73.02933	1.2
75.00883	0.4
76.07401	0.2
81.03470	0.6
82.25381	0.2
83.01378	1.2
83.05001	0.2
85.02949	2.7
87.00877	2.6
88.98817	1.0
89.02443	9.2
95.01393	0.8
95.04987	0.4
96.96012	0.4
97.02947	1.7
97.06544	0.3
99.00899	0.5
99.92588	0.4
101.02439	7.7
111.04569	0.4
111.08104	0.3
113.02447	4.4
113.09732	1.8
116.92863	2.4
119.03503	2.2
125.02450	3.0
131.03508	0.5
136.51268	0.2
136.70612	0.2
139.04036	0.2
141.01817	0.2
143.03493	1.3
144.69482	0.2
149.04565	0.4
161.04546	1.9
167.03433	0.2
170.46516	0.2
177.12856	0.5
179.05595	3.3
179.14417	1.2
181.04730	0.2
181.12318	0.4
185.04454	0.3
195.13890	17.7
196.14368	0.7
197.15398	0.2
205.12357	0.6
205.15956	0.4
211.13451	0.4
221.06615	1.3
223.13402	3.9
224.14041	0.3
228.13628	0.8
231.21135	0.4
235.08183	3.0
253.09340	0.6
256.13113	0.9
263.07730	0.4
265.21884	0.2
275.20123	3.6
276.20462	0.4
277.21716	11.3
278.21994	0.7
287.07846	1.0
293.21222	77.3
294.21555	5.2
295.22763	100.0
296.19720	0.2
296.23065	7.4
305.08704	1.1
307.22620	0.2
317.21149	0.3
323.09854	0.8
379.12424	1.2
397.13480	24.6
398.13950	1.3
415.14548	14.5
416.14975	0.8
571.43628	2.9
572.44177	0.6
654.27527	0.5
670.70227	0.3
673.34546	0.7
675.35986	0.7
691.35040	1.1
693.36774	2.0
852.02399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	2.4
71.01379	21.5
71.04990	0.5
72.99282	1.4
73.02935	3.1
75.00853	0.4
78.95905	0.5
81.03432	1.1
83.01382	2.4
83.05011	1.2
84.02175	0.4
85.02457	0.5
85.02948	5.5
87.00383	0.6
87.00869	5.2
89.02444	18.4
90.02657	0.4
93.03429	0.4
95.01403	1.9
95.05017	0.3
97.02428	0.4
97.02955	5.1
97.06566	0.8
98.20748	0.6
99.00864	1.2
101.02441	14.8
109.02950	0.5
109.06557	0.7
111.00829	0.4
111.04514	0.7
111.08155	7.5
113.02451	8.4
113.06042	0.5
116.92791	0.5
119.03504	6.4
121.02898	0.3
123.04519	0.5
125.02433	8.1
125.09682	0.5
127.07635	0.8
131.03479	0.8
135.08240	0.3
137.09677	1.2
139.04002	0.7
141.01746	0.5
143.03490	3.4
151.11253	0.8
153.12801	0.9
161.04564	4.9
163.11261	0.5
165.12796	2.3
167.03455	0.6
167.14359	0.4
169.12341	3.7
171.10249	2.6
177.12772	0.5
179.04121	0.5
179.05615	6.3
179.10869	0.5
181.12360	1.2
183.13927	0.6
193.12291	1.0
197.11823	39.6
198.12112	1.3
199.06029	0.5
199.13371	2.5
209.11777	1.4
211.13371	6.5
212.13794	0.4
217.07103	0.7
221.06697	2.1
221.11726	1.7
223.13309	0.4
227.12859	1.5
235.08212	6.1
239.12878	1.4
245.06653	0.5
247.20654	1.1
253.09276	1.5
255.23222	1.5
259.08261	0.5
259.20566	0.4
263.07767	0.6
263.20181	2.1
265.18066	1.6
273.18649	1.3
277.21704	55.4
278.22040	4.4
287.07706	2.8
289.17831	0.6
291.19653	29.5
292.19937	1.9
293.21298	0.9
305.08743	2.7
309.20697	100.0
310.21060	6.4
318.07581	0.4
323.09818	1.6
329.23364	1.2
379.07855	0.6
379.12396	5.0
397.13495	46.8
398.13876	3.3
399.14673	0.5
415.14584	16.5
416.14920	1.3
445.17517	0.5
457.06516	0.4
512.01550	0.4
577.24585	0.5
675.36176	0.7
689.33246	1.8
707.34668	1.7
875.50226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.5
70.24533	0.4
71.01382	6.5
72.99310	0.4
73.02938	0.7
75.67741	0.1
76.31524	0.1
83.01391	0.6
83.05017	0.2
85.02955	1.7
87.00875	1.8
89.02444	5.8
95.01390	0.5
95.05032	0.3
97.02934	0.9
98.20168	0.2
99.00919	0.4
101.02444	4.7
111.00894	0.2
111.08127	0.4
113.02442	2.5
113.09729	0.4
115.04008	0.3
119.03515	1.5
125.02454	1.4
131.03493	0.4
139.04045	0.2
141.01921	0.2
141.09123	0.2
143.03484	1.0
159.02922	0.2
161.04541	1.2
167.10806	0.2
171.10233	0.2
177.12769	0.3
179.05621	2.2
179.14360	0.7
181.12347	0.2
192.24097	0.2
195.13896	7.9
196.14522	0.7
205.12367	0.5
205.15964	0.3
211.13364	0.3
221.06651	0.7
223.13382	4.6
224.13876	0.4
225.14946	0.4
228.13634	0.7
231.21132	0.2
235.08231	1.6
245.06889	0.2
249.22211	0.3
253.09273	0.6
256.13107	1.4
265.21744	0.3
275.20148	4.8
276.20547	0.2
287.07773	0.3
293.21219	100.0
294.21545	7.5
305.08728	0.8
317.21133	0.4
323.09888	0.4
361.42633	0.2
379.12289	0.6
397.13492	15.3
398.13641	1.0
415.14542	9.1
416.14914	0.7
533.22137	0.2
569.42072	1.3
654.27747	0.3
673.34290	0.9
691.35394	1.8
692.36102	0.2
712.81219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87904	7.0
69.88319	3.2
81.03498	2.4
81.24795	1.8
83.05044	5.8
96.96069	3.3
98.20551	2.7
124.71714	1.9
125.02394	7.1
132.02992	2.4
137.02463	4.0
157.05034	2.5
190.76118	2.0
217.41655	2.2
238.42099	1.8
271.06058	2.5
610.61206	2.1
734.82800	2.1
817.35858	2.6
905.66119	9.4
906.67664	30.3
907.68304	2.7
966.66107	100.0
967.66455	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.6
71.01382	43.4
72.99307	3.2
73.02947	5.4
78.95895	2.0
81.03466	3.6
83.01379	5.7
83.05029	4.9
85.02937	17.8
87.00885	13.1
89.02441	40.1
90.02820	1.6
95.01389	4.6
97.02961	7.8
99.00852	4.5
101.02448	33.1
109.02926	2.0
109.06592	4.5
111.04506	2.1
111.08164	9.5
113.02442	21.0
116.83759	1.5
116.92859	5.2
119.03488	11.8
125.02440	13.3
128.90234	1.6
133.05095	1.4
142.02718	1.6
143.03471	5.9
148.60153	1.4
149.09732	1.8
161.04608	8.2
169.12306	3.6
171.10286	7.6
171.11598	1.6
177.12834	4.3
179.05626	11.7
184.17876	1.4
195.13908	3.1
197.11819	49.6
198.12134	2.3
199.13503	3.6
211.13417	10.0
221.06738	4.1
221.11824	63.2
222.12300	2.3
223.13480	1.7
227.12816	1.9
227.20128	4.3
235.08218	12.3
239.12863	35.8
240.13300	2.7
253.09198	2.3
255.23291	50.5
256.23514	3.1
263.20135	5.4
277.21722	55.7
278.22012	6.0
278.35641	1.7
279.23227	16.7
287.07678	4.9
289.15118	1.8
289.18109	19.3
290.18549	2.5
291.19617	22.9
293.21460	1.7
305.08728	4.1
307.19049	3.3
308.19394	1.5
309.20709	100.0
310.20969	8.2
323.09985	1.7
379.12384	8.5
390.88995	1.5
397.13483	97.8
398.13855	7.3
415.14560	29.6
416.14572	3.0
434.58380	1.6
452.14520	1.7
577.25995	1.6
619.26221	5.5
637.27100	4.3
653.38269	2.1
689.33551	2.7
707.34863	2.3
875.50159	28.1
876.50555	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	965.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.6
69.03447	1.6
71.01382	16.1
71.05009	1.6
71.50238	0.6
72.99302	1.7
73.02947	2.3
75.00856	0.5
78.95885	1.6
81.03446	1.2
82.95396	0.6
83.01375	2.3
83.05041	1.1
85.02949	4.8
87.00876	3.4
89.02445	16.0
93.03487	0.8
95.01388	1.1
95.05026	0.9
96.96021	0.5
97.02951	3.1
97.06600	0.6
98.03696	0.8
99.00869	0.9
99.04450	0.5
101.02441	12.5
106.04262	0.7
107.04971	0.6
108.19363	0.5
109.02992	0.8
109.06599	7.9
111.00879	0.7
111.04515	3.0
111.08110	0.7
113.02451	7.3
114.93397	0.9
119.03522	4.4
121.02974	0.7
121.06579	0.6
123.08157	1.1
125.02453	5.9
127.03983	0.5
127.07629	1.6
131.03473	0.7
135.08194	0.6
137.09750	1.1
143.03474	2.8
143.10741	0.8
145.06613	2.2
149.04495	0.8
149.09694	1.3
151.11191	0.7
161.04564	3.6
162.66266	0.4
167.10776	1.4
171.10284	0.7
179.05591	4.9
179.10794	1.2
181.12340	0.6
193.12280	0.6
195.13834	2.3
220.40392	0.5
221.06679	2.6
235.08249	4.7
245.19115	4.1
251.16451	0.7
252.95195	0.5
253.09322	1.1
255.23251	0.5
261.18591	0.5
263.07669	0.5
271.17099	1.0
275.20114	0.6
277.21710	44.9
278.22125	2.6
287.07739	0.9
287.16553	1.4
289.18082	100.0
290.18445	6.7
291.19662	2.1
293.21198	2.0
305.08713	1.3
307.19043	5.2
309.20691	0.7
323.09958	1.1
327.21713	0.9
331.19238	0.6
375.93466	0.4
379.12598	4.3
380.89822	0.5
397.13489	34.5
398.13690	2.5
415.14508	10.6
416.15106	0.7
474.23160	0.4
638.96173	0.5
669.31116	1.8
687.32092	2.4
965.46600	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	965.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.4
71.01381	0.2
71.28692	0.2
78.99328	0.2
83.05053	0.2
86.44994	0.2
97.06597	0.2
102.20366	0.2
111.08176	1.2
163.11298	0.3
165.12837	23.8
166.13148	1.0
181.12364	0.3
183.13890	100.0
184.14218	4.3
191.10841	0.4
209.11827	8.5
210.12154	0.5
211.13091	0.2
222.61258	0.2
227.12874	99.1
228.13181	4.5
253.09245	0.3
289.06964	0.2
320.93042	0.2
367.61124	0.2
445.20877	0.7
862.38025	0.2
873.94550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08050	0.4
68.99561	0.6
69.03455	0.7
69.18096	3.5
69.80204	0.4
71.01382	17.1
71.05019	0.7
72.99304	1.5
73.02946	2.2
75.00872	0.4
79.42719	0.4
81.03447	0.7
83.01384	1.7
83.05048	0.8
85.02965	3.9
87.00873	3.9
89.02444	13.0
95.01380	1.0
95.05018	1.1
97.02940	1.4
97.73391	0.3
98.20655	0.9
99.00873	1.3
99.04520	1.1
101.02440	11.4
109.02940	0.4
111.00874	0.4
111.04517	0.4
111.08165	7.8
112.04140	0.4
112.08497	0.4
113.02440	6.0
113.09733	0.6
115.03982	0.5
119.03483	3.4
125.02448	4.6
126.90435	0.6
127.04002	0.5
131.03497	0.5
139.04065	0.8
141.01811	1.0
142.05051	0.4
143.03494	2.7
143.99014	0.4
144.06633	0.5
149.09706	0.6
155.10849	0.5
161.04582	2.7
167.10757	1.7
177.12875	1.9
179.05605	5.0
179.10744	1.3
179.14328	0.6
195.13902	12.6
203.14348	0.5
205.12378	0.8
205.15880	0.6
211.13333	0.6
221.06668	1.8
223.13419	5.6
225.14883	0.8
228.13705	0.7
235.08203	3.9
247.20682	2.1
253.09215	1.1
256.13116	1.7
263.07773	0.6
273.18576	1.0
275.20154	5.4
287.07584	0.8
291.19659	80.6
292.20047	6.6
293.21228	100.0
294.21545	6.7
303.24713	0.4
305.08820	0.9
323.09882	1.2
342.13712	0.4
375.53506	0.4
379.12399	2.1
397.13492	32.2
398.13953	1.8
415.14575	12.9
416.15186	0.8
567.40356	0.5
671.32849	2.8
673.34528	0.7
689.33954	6.3
691.35364	2.2
896.48230	0.6
965.55157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68300	0.7
69.68707	1.2
71.01366	0.4
71.28356	0.3
72.80534	0.3
81.03454	6.7
83.01357	0.6
83.05026	14.1
93.03432	0.6
97.02954	0.5
98.19989	0.6
106.17400	0.3
108.02156	0.4
108.04568	0.5
109.02991	1.6
121.02909	0.7
123.04515	0.9
125.02451	9.3
125.07176	0.8
126.02751	1.0
133.02936	0.6
137.02432	2.5
138.02841	0.4
149.02354	0.4
151.00313	0.8
151.04002	1.4
161.02463	2.7
163.00468	0.4
163.04027	0.7
164.01070	0.6
165.01910	0.9
167.03453	0.5
169.01308	0.4
175.03969	1.3
177.01949	0.5
179.07037	0.4
199.03925	0.6
203.07094	0.8
205.05046	0.4
207.14999	1.1
218.37381	0.4
219.06618	0.4
224.17783	2.8
225.16069	9.4
234.48740	0.4
242.18674	0.5
243.03070	1.7
245.04410	0.7
245.08151	0.7
267.03104	0.4
271.02353	0.6
273.03891	0.3
285.04074	0.4
287.05490	1.3
289.07175	2.1
290.07635	0.9
309.21802	1.2
324.26578	0.5
333.23044	0.5
341.29092	0.6
367.27206	1.2
385.12799	0.5
387.14383	0.4
407.07715	0.7
425.09045	0.5
433.31799	0.8
450.34409	1.2
451.10245	0.4
451.32858	7.4
452.32840	0.5
505.15042	0.4
517.36914	0.4
521.13409	0.5
549.17615	0.5
550.42999	0.6
565.44873	0.4
567.45837	1.0
575.11938	2.7
576.12152	1.1
577.12689	0.8
673.18945	0.7
677.49854	1.7
885.65906	0.6
903.66504	100.0
904.66791	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	963.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.5
69.94852	0.4
71.01381	17.7
72.99311	1.4
73.02966	2.6
75.00852	0.7
81.03440	0.6
83.01350	2.5
83.05026	0.7
84.02175	0.6
85.02457	0.8
85.02953	11.2
87.00871	4.0
89.02442	15.1
89.91223	0.4
95.01383	1.8
95.05029	0.6
97.02954	4.3
97.06576	1.8
98.19824	0.6
99.00853	1.2
101.02441	12.5
101.63009	0.4
107.42903	0.5
112.98503	0.6
113.02454	6.5
119.03498	4.0
125.02442	5.0
125.09708	0.6
127.11262	1.2
131.03453	1.0
137.09732	2.4
139.04022	0.5
143.03499	2.3
155.10796	0.7
161.04539	3.3
165.12833	0.6
171.10274	25.1
172.10555	1.0
177.12827	0.7
179.05559	2.8
183.13885	1.8
185.04662	0.5
185.11852	0.4
193.12387	0.6
201.11302	1.3
209.11728	0.7
211.13373	9.5
221.06578	1.1
221.11787	1.9
229.14445	6.9
235.08243	4.3
239.12828	1.1
253.09348	0.7
255.23282	36.5
256.23599	1.9
263.07684	0.8
287.07578	1.1
291.19742	2.7
305.08725	1.8
309.20679	7.4
309.96164	0.5
310.20810	0.6
327.21741	100.0
328.22006	7.6
379.12491	0.6
397.13483	52.3
398.13757	2.6
415.14590	14.7
416.14438	0.6
565.44482	2.2
653.37390	4.6
707.35028	5.3
708.37097	0.6
725.36151	2.9
963.59692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.8
71.52429	0.9
81.03446	1.7
83.01385	4.0
83.05046	0.7
85.02947	0.6
92.56984	0.5
93.03473	3.0
93.07128	0.6
95.05018	0.9
97.02957	2.3
101.02481	0.5
107.05034	1.4
108.02202	1.3
109.02964	12.0
111.04539	1.1
115.04013	1.7
117.03459	0.8
119.05048	1.2
121.02957	3.0
122.03782	0.7
123.04511	7.3
125.02448	100.0
126.02773	3.9
127.04031	2.0
130.38480	0.5
131.05019	1.3
133.02931	4.7
134.03734	0.9
135.04533	2.2
135.08160	1.5
137.02451	16.9
137.03510	0.9
137.06020	0.6
139.04019	1.6
145.02988	0.7
146.03702	0.6
147.04416	0.9
149.02419	4.3
150.03217	1.5
151.04013	9.9
155.03477	1.1
159.04520	2.5
161.02443	29.4
161.06081	2.2
162.03220	2.5
163.00378	3.2
163.04018	4.5
164.01163	5.6
165.01949	6.3
165.05478	0.8
166.02254	0.6
167.03493	1.1
173.06050	1.5
174.03271	0.7
175.04002	10.7
175.07640	1.2
176.01242	0.7
176.04300	0.8
177.01936	8.0
177.05583	0.5
178.02554	0.5
179.03510	2.7
179.07141	9.5
187.03979	4.2
187.07631	0.7
188.04718	1.2
189.01968	1.9
189.05460	0.7
190.02641	1.3
191.03467	0.7
191.07153	1.5
193.05034	1.4
199.04002	1.6
201.05563	2.0
202.06219	0.6
202.99956	0.6
203.03491	3.3
203.07167	3.7
205.01387	1.6
205.05051	3.5
205.08598	0.6
213.05626	0.6
214.02725	1.2
215.03548	1.5
217.01385	1.0
217.05081	4.4
219.03032	1.7
219.06598	4.9
223.09726	9.9
224.10095	0.8
225.05486	1.1
227.03503	1.7
227.07083	1.1
229.05028	2.1
229.08595	2.7
231.02924	1.3
231.06622	2.2
241.05089	0.9
243.02980	5.6
243.06656	1.6
244.03551	1.1
245.04530	7.9
245.08142	5.7
255.02934	4.7
256.03714	2.5
257.04538	1.3
261.04181	1.4
269.04498	3.1
271.06155	0.7
271.09692	1.4
273.04022	1.7
273.07263	0.7
273.11322	1.1
275.09637	0.6
281.04538	2.2
283.02542	1.1
283.09753	0.6
285.04068	2.3
287.05612	21.8
288.02856	0.6
288.05991	1.9
289.07193	19.4
290.07584	2.2
295.02402	0.5
297.04306	1.0
297.07755	2.4
299.05682	4.4
301.07608	0.7
315.08878	1.2
315.12384	1.1
317.10245	1.5
327.05087	0.8
339.08899	1.5
341.06470	1.4
341.10336	5.0
343.11874	1.3
359.11359	3.3
367.11819	0.8
380.84903	0.5
381.09808	1.4
385.12939	10.7
386.13287	0.5
393.08295	1.7
407.07697	18.4
408.08002	1.7
425.08734	13.5
425.14441	0.7
426.09402	0.7
449.08536	4.0
451.10287	6.5
452.10486	0.7
467.09915	0.7
479.13376	0.8
489.11926	0.6
503.13422	2.2
511.16177	6.5
512.16174	1.0
521.14606	4.1
522.14886	1.3
559.12604	1.3
569.10724	0.8
577.13452	14.1
578.13770	2.0
587.12366	1.9
617.13184	0.7
623.15814	1.2
631.17957	1.0
641.16559	2.5
659.17999	1.7
673.19312	7.2
674.19733	1.3
675.20734	1.0
695.14722	1.0
739.16382	1.4
793.21289	4.2
794.21826	0.9
811.22516	4.0
812.22699	0.8
963.26001	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	961.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	3.4
70.63826	2.2
70.64130	1.5
71.01377	44.0
71.05042	1.7
72.99312	3.8
73.02957	8.6
76.28724	1.1
80.02656	1.0
81.03448	2.6
82.67110	1.3
83.01395	5.3
83.05019	5.0
85.02948	8.9
86.78434	1.4
87.00890	6.9
88.08147	1.3
89.02441	31.9
95.01370	3.2
95.05019	2.8
96.95988	1.1
97.02946	7.8
97.06601	2.0
99.00864	2.0
101.02441	27.1
101.93683	1.3
109.02991	1.4
109.06567	1.9
110.80384	1.2
111.04512	2.0
111.08176	1.7
113.02451	14.3
115.07669	1.8
119.03506	7.2
123.04517	1.8
125.02440	10.2
125.09709	3.8
127.11264	1.6
135.08141	3.3
139.03978	1.6
141.01852	2.2
143.03516	2.9
149.04539	1.3
149.09770	1.6
152.89552	1.2
153.09215	13.9
155.10797	1.4
157.08710	1.5
161.04536	6.7
163.11337	2.2
165.12836	1.5
171.10254	26.4
174.97832	1.1
178.09987	3.0
179.05603	8.0
185.11801	4.6
191.14371	1.4
195.10210	1.5
197.11807	5.8
209.11801	34.8
210.12186	1.6
211.13414	2.4
221.06714	2.1
222.37552	1.1
227.12965	2.6
235.08191	8.2
235.13300	1.4
238.12016	2.0
245.19168	2.8
253.09325	2.1
255.23276	100.0
256.23682	5.3
263.07587	1.9
269.24918	1.3
287.07706	2.6
289.18033	14.3
290.18384	2.0
297.20615	3.1
305.08652	2.9
307.19122	62.2
308.19434	2.8
323.09827	1.8
325.20178	85.8
326.20496	7.6
348.59509	1.1
379.12347	8.2
397.13474	85.0
398.13861	5.5
415.14542	18.2
416.14325	1.5
506.17853	1.1
551.23322	1.5
635.36340	1.2
653.37018	7.6
687.32172	8.0
705.33221	8.0
706.33588	1.6
723.34778	2.3
874.49121	4.0
943.56409	25.5
944.56763	5.9
961.57642	12.2
962.56470	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	961.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20733	0.9
69.03446	2.4
70.72079	1.0
70.72398	2.3
71.01379	28.0
71.05003	2.8
72.99281	2.1
73.02942	2.8
80.97523	0.9
83.01379	2.2
83.05007	1.9
85.02958	6.3
87.00876	5.2
89.02445	19.5
93.03419	1.3
95.01366	1.6
97.02946	4.4
97.06596	2.3
99.00868	1.6
101.02441	17.2
107.05044	1.5
109.06605	11.0
111.08184	1.2
113.02433	11.3
119.03497	4.4
125.02460	7.1
125.06031	1.0
126.90439	1.3
127.07632	2.3
131.03508	1.0
140.42700	1.0
143.03468	2.6
154.34175	1.0
161.04526	4.2
169.12335	4.0
171.10361	1.3
179.05551	4.0
181.12379	1.2
183.13866	2.0
191.14638	1.2
191.50926	1.0
193.12317	1.6
197.11818	25.5
199.13347	1.3
211.13377	20.6
221.06534	1.6
227.12833	2.2
235.08232	6.2
235.13472	5.2
235.15506	1.2
237.14867	3.5
253.09331	1.7
253.21741	2.2
255.23274	62.8
256.23642	4.0
265.50897	1.1
269.24710	1.2
277.21634	1.3
287.07733	2.7
289.18085	3.8
305.08713	3.1
307.19025	3.6
325.20178	100.0
326.20563	8.3
343.21207	1.7
379.12323	3.0
397.13467	58.2
398.13580	3.7
415.14587	17.1
653.37439	3.2
654.17847	1.1
705.32867	3.6
723.34308	2.3
877.63318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.69362	33.0
77.95753	37.6
88.98816	59.6
95.12256	40.0
98.19879	100.0
116.92842	70.1
121.02946	55.5
140.19550	34.2
216.71100	40.7
223.13362	81.2
229.56981	50.1
293.21136	87.4
294.21286	53.6
391.89398	38.6
552.02820	40.1
682.63397	43.4
828.15405	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.9
69.52821	3.3
74.19446	0.5
81.03448	1.5
83.01392	4.3
89.03968	0.5
92.07875	0.5
93.03452	2.7
95.01364	0.9
95.05026	0.7
96.96011	0.6
97.02953	1.7
105.03429	0.7
107.05019	1.6
109.02948	10.8
113.62660	0.4
121.02941	3.4
122.03749	1.1
123.00900	0.7
123.04520	8.5
124.01679	0.8
125.02442	100.0
126.02779	2.6
131.05011	0.7
132.02164	0.7
133.02951	3.7
135.04530	2.3
137.02434	18.3
138.03043	0.5
139.04013	1.3
145.02943	1.1
146.03761	0.8
147.04546	1.1
149.02426	3.2
150.03186	1.7
151.02866	0.8
151.04005	10.3
159.04517	2.6
160.01659	1.2
160.05247	0.7
161.02431	16.8
161.06079	1.9
162.03140	1.1
163.00400	3.9
163.04027	3.7
164.01151	5.8
165.01924	10.5
165.05551	0.5
167.03467	2.2
170.79657	0.5
173.02345	0.6
173.06108	1.7
174.03172	1.3
175.03998	11.6
175.07596	1.3
176.01158	0.9
176.04398	0.9
177.01920	12.4
177.05475	1.2
178.02580	0.7
179.03491	2.0
183.04521	0.6
185.06032	0.8
187.04028	4.5
187.07626	0.9
188.04810	1.8
189.01926	1.5
189.05579	1.1
189.09325	0.5
190.02690	1.2
191.03456	1.5
193.04967	1.1
199.03975	4.7
200.04749	1.3
201.01846	0.8
201.05542	2.0
201.09302	0.5
202.06331	0.9
203.03471	1.9
203.07141	4.5
205.01347	2.6
205.04988	3.7
211.04030	1.0
211.07677	0.8
212.04701	0.7
213.05548	2.1
214.02768	1.2
215.03487	1.2
215.07130	1.3
217.01230	0.5
217.05006	5.7
217.08527	2.4
219.03027	3.0
219.06525	0.7
221.08148	0.8
225.05533	0.7
227.03467	1.7
227.07097	1.5
228.04240	2.2
229.05116	2.8
229.08673	1.9
231.02928	1.3
237.05544	0.8
239.03630	0.6
239.07224	1.0
241.05040	1.0
242.02155	0.9
242.05734	0.9
243.02957	16.0
243.06651	1.0
244.03609	0.8
245.04532	4.6
245.08121	4.1
247.05899	0.6
250.57199	0.5
253.05185	0.8
255.02928	7.2
255.05652	0.7
255.06714	0.8
255.10063	0.6
256.03690	2.1
257.04617	1.9
257.08124	4.9
261.04004	4.4
267.02969	0.6
269.04587	2.3
271.02655	0.7
271.05850	0.7
271.09665	0.7
273.04059	1.5
281.04535	2.1
281.07947	0.6
282.01639	0.9
283.02533	2.9
283.05466	0.6
285.03952	2.9
286.04843	1.6
287.05597	10.6
289.07166	18.0
290.07498	1.2
293.04575	0.5
297.07858	0.9
299.05692	0.6
315.08582	0.7
321.11060	0.6
327.05127	1.0
329.06830	2.5
339.08728	1.8
339.12323	0.7
341.06583	1.9
341.10367	2.5
347.05615	0.7
353.31427	0.5
365.10233	1.8
367.11865	0.8
381.09784	1.5
383.11371	22.1
384.11786	2.0
391.04691	0.8
395.11438	3.5
407.07651	18.4
408.08179	1.5
413.08688	4.9
425.08710	9.0
449.08887	1.2
451.10461	0.7
457.09146	0.5
467.10083	1.2
483.10422	0.6
485.15735	0.6
501.11816	2.3
502.11960	0.8
503.13464	1.5
519.12592	2.3
520.12939	0.6
521.14484	1.7
525.07983	1.2
529.15607	1.1
543.09247	2.5
545.14453	3.6
547.16040	7.8
548.16016	1.0
561.10370	1.8
575.11658	1.0
577.13446	1.1
587.11749	1.5
653.16583	0.9
655.17938	0.6
671.17822	2.8
673.19153	7.6
673.29462	0.7
674.19794	1.4
695.13837	1.8
713.14789	1.1
791.20123	3.5
792.20117	0.8
809.21155	1.1
835.22644	1.4
961.26385	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	955.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99557	4.4
71.01387	18.6
72.99284	6.6
85.02943	6.6
87.00889	6.6
88.85107	3.8
88.98808	9.5
89.02430	14.8
99.92597	5.1
101.02444	12.3
105.01910	11.6
107.94348	3.8
113.02419	5.7
116.92848	24.0
119.97867	4.3
124.96548	3.6
125.02509	5.7
136.08333	3.9
166.50240	3.8
179.05643	4.2
185.64754	3.5
209.11809	100.0
210.12117	4.7
227.12798	12.4
235.08229	8.9
255.23283	55.7
287.07672	4.1
352.04514	3.9
373.40918	4.0
379.12338	18.0
397.13458	48.8
415.14377	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	958.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	44.5
75.00865	100.0
88.98785	85.5
116.92863	73.2
271.07626	43.5
363.48181	47.8
395.69620	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85835	2.1
71.01402	10.2
71.50032	3.7
72.99313	3.9
75.01894	2.0
76.86555	1.7
78.84486	2.1
78.95892	2.0
83.01374	2.7
83.23304	2.3
85.02962	3.9
87.00906	3.3
88.98806	13.2
89.02443	12.2
96.96006	10.7
101.02458	7.3
105.01921	9.9
113.02422	6.3
116.92884	9.3
117.92898	2.8
118.92686	3.5
119.03506	4.5
119.94698	2.5
125.02477	4.0
131.03566	2.2
151.58470	1.9
161.04584	2.0
179.05664	4.3
195.13893	15.3
205.12332	4.6
223.13397	45.2
223.15598	3.0
265.14728	18.4
277.21661	10.3
295.22778	100.0
296.23090	5.4
379.12527	4.0
397.13498	25.5
415.14548	7.2
603.26501	5.6
621.27332	8.6
647.22406	2.0
673.27686	2.6
693.36725	2.5
763.55597	2.1
899.49896	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	960.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33338	22.8
71.01383	23.9
83.51068	28.6
88.98815	100.0
90.63184	26.1
94.18079	24.7
105.01907	88.2
107.45967	23.7
116.92853	45.1
151.30397	26.6
201.90613	21.5
218.73862	26.3
223.13376	50.7
224.13792	37.4
255.36086	23.7
293.21127	35.5
294.21539	36.1
296.95636	26.9
300.04324	24.7
307.47763	28.3
962.22314	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89344	0.5
69.51046	2.7
71.01362	0.5
73.02975	0.4
74.87065	0.4
83.01381	2.2
85.02944	0.7
87.82783	0.4
93.03458	0.4
95.01376	0.6
107.01384	5.7
108.02168	1.7
109.02928	0.8
111.00883	1.4
111.32133	0.3
117.03450	0.9
119.05022	0.5
123.00868	2.1
124.00760	0.4
124.01662	6.9
125.01542	0.4
125.02453	6.9
134.03751	1.9
135.04535	2.7
137.02513	0.4
139.00362	1.4
141.01941	0.7
149.02396	0.5
151.00363	16.9
152.01140	47.8
153.01740	1.7
165.01881	0.5
169.01373	1.9
173.06053	0.7
175.04002	0.6
178.99849	53.8
180.00192	1.9
191.03377	0.5
201.05502	0.8
215.07161	1.3
225.05574	1.2
227.07082	1.2
241.05081	0.7
243.06604	1.1
259.03351	0.9
259.06082	16.2
260.06366	0.6
269.04526	35.7
270.04935	2.4
271.06277	0.4
286.04785	3.4
287.05588	10.1
291.65012	0.4
330.50110	0.4
431.10312	0.4
433.11359	100.0
434.05786	0.6
434.11685	8.7
466.67459	0.4
521.13031	1.3
601.61078	0.5
613.51422	0.5
955.29010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	1.6
69.03471	0.6
69.35765	3.6
69.70995	0.4
70.93348	0.5
71.01382	17.2
72.99303	0.7
73.02951	5.4
81.03454	0.7
82.99674	0.5
83.01385	3.0
85.02951	8.8
87.00887	0.7
89.02440	2.4
91.01895	12.3
91.05477	0.5
95.01395	1.2
97.02932	1.7
99.00874	3.6
101.02442	12.3
109.02952	36.7
110.03310	0.6
113.02448	9.6
121.02953	1.7
122.03749	0.7
123.04511	1.6
125.02444	4.7
133.02946	0.6
135.00887	22.9
136.01233	0.6
137.02448	9.7
138.02840	0.6
143.03461	1.0
146.03714	0.7
147.04532	1.1
148.01648	1.4
149.02391	0.9
150.03302	0.8
151.04028	1.0
153.01941	18.6
159.02997	1.4
159.04552	0.5
161.02454	0.6
161.04568	8.1
161.05939	1.1
162.45052	0.5
163.04088	0.5
164.01137	1.6
165.01971	3.1
165.03084	0.5
165.05545	1.0
167.03523	1.0
170.45508	0.5
175.03986	1.5
175.07623	1.7
176.04768	1.8
177.01921	0.8
177.05542	1.1
179.03491	4.5
187.04007	1.8
187.07587	0.7
202.06331	0.7
203.07094	1.1
205.05037	0.9
205.08699	0.9
217.08542	0.6
229.08623	0.5
255.10158	0.7
266.11792	0.6
293.97092	0.5
322.06073	0.5
331.17630	18.7
332.18027	1.3
367.11710	1.9
373.18680	14.6
374.18866	1.6
385.12930	3.5
399.14575	4.5
417.15573	7.2
429.10364	100.0
430.10730	8.3
441.49887	0.6
696.56482	0.6
833.54120	0.6
934.20978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.7
70.33255	1.2
71.01382	16.6
72.99306	1.3
73.02958	2.0
75.00871	0.8
81.03455	0.8
83.01394	1.6
84.10021	0.4
85.02956	3.5
87.00876	4.1
89.02445	13.8
93.03457	0.4
95.01396	1.2
97.02968	1.7
99.00887	0.8
101.02436	13.0
113.02437	6.3
113.09694	0.4
115.04046	0.5
119.03508	3.4
125.02451	4.9
131.03513	0.8
133.05057	0.7
133.96635	0.4
141.01927	0.4
143.03514	2.6
145.05031	0.4
149.04555	0.5
161.04543	3.1
167.10806	0.5
179.05588	3.4
179.14398	0.8
184.19264	0.4
195.13898	7.3
205.12329	0.9
217.06929	0.5
221.06639	1.4
223.13391	4.7
228.13591	0.8
235.08179	4.3
253.09258	0.9
256.13141	1.3
263.07651	0.5
275.20200	5.3
276.20480	0.5
277.21713	45.6
278.22058	3.4
287.07730	1.6
293.21216	100.0
294.21515	7.4
305.08838	1.4
323.09921	1.1
366.70792	0.4
379.12546	3.7
394.15768	0.4
397.13483	38.5
398.13843	1.7
415.14597	11.8
416.15070	0.9
658.96454	0.4
673.33563	0.5
675.35901	1.6
691.35480	0.8
924.25604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.0
70.33020	1.0
70.33364	0.3
71.01382	13.7
72.99306	1.4
73.02942	2.3
75.00864	0.5
81.03468	0.6
82.28098	0.3
83.01385	1.9
85.02947	3.3
87.00883	3.3
89.02444	13.3
95.01379	0.9
95.05038	0.3
97.02952	2.1
99.00871	0.8
99.04509	0.4
101.02447	9.8
111.08145	0.5
113.02447	6.6
119.03512	3.2
119.22626	0.3
125.02458	5.0
131.03488	0.5
139.04024	0.5
143.03514	2.0
161.04555	2.9
177.12715	0.4
179.05618	3.9
179.14395	0.9
195.13893	7.4
196.14421	0.5
199.42908	0.3
205.12300	0.6
205.15985	0.6
211.13434	0.5
212.22934	0.3
217.07217	0.7
221.06628	2.0
223.13368	5.4
224.13852	0.4
225.15005	0.5
228.13641	0.9
235.08211	4.7
253.09317	1.1
256.13199	1.1
263.07480	0.5
275.17358	0.5
275.20132	5.8
276.20499	0.6
277.21707	39.1
278.22040	3.3
287.07782	1.5
293.21222	100.0
294.21536	6.9
305.08670	1.7
317.21298	0.5
323.09708	0.8
354.00281	0.4
379.12445	3.3
397.13498	27.6
398.13763	1.7
415.14536	10.7
416.15054	0.6
657.35364	0.4
673.34247	1.0
691.35388	1.0
719.06213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	3.5
71.01354	5.3
81.03460	6.7
83.01389	12.6
89.02464	3.8
93.03449	2.8
95.01392	2.6
95.05001	5.0
96.95990	5.6
97.02941	12.3
101.02429	2.8
108.02103	4.7
109.02961	37.0
111.00881	5.2
121.02958	10.6
123.04536	23.6
124.01721	2.5
125.02435	32.2
135.04485	4.9
135.58218	2.2
137.01443	3.8
137.02434	42.8
138.02797	3.6
139.03998	8.7
145.02975	3.0
146.03758	5.1
148.05331	2.3
149.02435	13.9
150.03188	3.9
151.03973	11.2
159.04485	8.1
160.05290	2.3
161.02461	5.3
161.06093	13.8
162.03191	4.5
163.03999	3.1
164.01083	10.9
165.01915	13.0
167.03490	4.8
171.10168	4.9
175.03970	4.8
175.07672	4.0
177.05504	3.2
179.03462	9.7
183.13835	16.2
185.06125	3.3
187.03964	10.1
188.04741	8.4
201.05460	2.1
203.07153	23.9
205.05042	18.0
209.11772	6.2
211.13345	11.6
221.08147	4.5
221.11757	3.6
227.07202	2.8
229.14011	2.3
231.02922	2.8
245.08174	30.4
246.08437	3.2
247.06293	3.2
271.06113	2.7
287.05750	2.7
289.07178	100.0
290.07620	10.1
299.40762	2.2
327.21548	4.0
341.14893	2.5
357.70212	2.5
370.24872	2.3
397.13766	2.8
550.68671	2.7
657.34686	9.5
795.37866	9.0
903.40863	3.7
911.40631	3.6
929.41754	10.1
947.23663	3.5
947.42590	66.9
948.42950	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	945.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	2.5
70.04729	2.7
71.01379	19.7
72.99305	2.1
73.02946	2.7
77.71363	0.6
81.03467	0.9
83.01394	1.7
83.05022	1.0
85.02949	5.4
87.00874	5.3
89.02443	17.9
89.70406	0.6
95.01383	1.4
95.05045	0.6
97.02940	8.2
97.06587	0.7
98.77325	0.6
99.00871	1.0
101.02445	17.2
104.07510	0.6
111.04529	1.0
111.08161	2.1
112.98585	0.6
113.02449	7.0
116.92883	0.6
119.03513	4.9
123.08152	0.6
125.02419	6.9
125.09684	0.7
131.03535	0.8
137.09714	1.4
143.03491	2.2
145.05090	0.9
151.11282	0.7
161.04555	2.7
163.11278	0.9
165.09277	0.7
165.12813	3.1
169.12347	1.0
171.10274	4.1
179.05557	3.4
181.12386	1.9
183.13921	1.4
191.14485	0.6
193.12259	1.7
195.13788	0.6
197.11823	11.0
199.13332	0.8
209.11940	1.5
210.05908	0.5
211.13403	4.9
221.06679	1.5
223.13533	0.7
227.12869	1.9
235.08218	6.6
247.20668	2.2
253.09265	0.8
255.23291	58.7
256.23639	4.6
259.08118	0.7
263.07800	0.8
263.20120	0.9
273.18536	1.8
273.88324	0.6
287.07764	2.0
291.19650	33.7
292.19910	2.0
305.08859	1.9
309.20700	100.0
309.69098	0.6
310.21045	7.1
323.09784	1.0
327.91214	0.6
379.12509	4.9
397.13498	57.7
398.14020	3.4
415.14499	14.0
547.43756	0.8
653.37378	3.6
689.33875	2.2
707.34692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85506	0.4
69.03448	2.0
71.01379	19.6
71.05009	1.3
71.49906	0.7
72.01742	0.5
72.99299	1.4
73.02942	2.4
74.62561	0.4
80.02661	0.5
81.03461	1.8
82.95453	1.9
83.01385	2.4
83.05022	0.8
85.02940	3.4
87.00877	5.2
89.02448	15.3
89.03012	0.7
89.59536	0.3
93.03413	0.5
94.64556	0.4
95.01388	1.7
95.05045	1.0
95.68085	0.4
97.02927	3.2
99.00882	0.8
101.02442	13.3
101.03110	0.7
107.05032	0.4
109.02927	0.6
109.06584	7.1
110.59448	0.3
111.00838	0.5
111.04517	2.9
111.08173	0.5
111.96806	0.3
113.02450	7.7
116.92803	0.5
119.03510	4.7
121.02967	0.6
123.04532	0.4
123.08151	0.5
125.02439	5.9
127.07647	1.2
131.03520	0.6
139.04007	0.5
141.01964	0.8
142.02654	0.4
143.03494	3.2
143.10767	0.9
145.06590	1.2
149.04526	0.7
149.09737	0.7
151.11278	0.6
161.04568	3.8
161.09795	0.4
165.07050	0.4
167.10779	1.4
177.12839	0.6
179.05600	4.5
179.10785	0.9
191.14388	0.8
195.13870	1.3
199.06110	0.5
209.11906	0.4
217.07158	1.0
221.06656	1.9
223.13303	0.5
235.08234	5.2
235.13469	0.5
245.19095	3.3
251.16669	0.5
253.09314	1.0
255.23282	63.6
256.23624	3.8
263.07654	0.5
269.24811	0.6
271.16962	1.5
287.07736	1.9
287.16547	1.5
289.18085	100.0
290.18399	7.3
297.24139	0.5
305.08810	2.2
307.19180	6.4
308.19153	0.6
309.20517	0.5
322.81903	0.4
323.09827	1.1
379.12436	7.2
397.13480	46.7
398.13748	3.5
415.14566	10.6
560.36975	0.4
635.36707	0.8
653.36945	1.8
669.31659	1.5
687.32471	1.4
833.35132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	42.3
73.49809	19.1
87.69523	17.8
88.98792	98.1
89.02457	41.5
98.19827	30.8
116.92866	62.2
166.55653	21.2
171.20340	21.5
194.40593	19.3
223.13286	100.0
224.13693	70.6
225.14047	27.6
225.53453	19.0
229.24904	25.8
255.23232	33.8
277.21756	30.3
278.22162	33.4
397.13599	53.3
398.13815	31.7
399.13782	36.0
403.38367	21.9
653.26489	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	944.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72252	23.2
71.01368	11.1
72.99300	23.6
75.00880	25.0
78.95918	9.8
88.98814	7.8
92.53893	8.8
95.41956	8.8
101.02460	10.5
105.01949	100.0
115.84422	7.5
127.27458	8.1
162.98778	8.8
209.11804	31.4
277.21729	24.1
369.71649	8.9
397.13290	9.6
459.66794	9.1
576.21045	8.2
944.50391	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	943.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68234	1.8
69.03446	4.5
70.27573	1.5
71.01384	29.1
71.49448	2.4
72.99312	4.6
73.02949	4.5
81.03471	2.2
83.01386	4.5
83.04995	1.6
85.02966	7.0
87.00874	6.0
87.31181	1.6
89.02448	22.0
97.02969	4.7
101.02435	20.8
105.01942	4.1
111.04475	1.6
113.02458	12.6
116.92846	4.0
117.51644	1.5
119.03493	6.6
125.02399	7.9
131.03468	2.5
143.03497	3.8
161.04553	4.5
167.10802	2.6
171.10303	1.9
179.05556	5.0
179.14429	4.7
195.13901	8.2
197.11734	3.2
205.12271	8.8
209.11943	2.3
221.11888	2.1
223.13383	100.0
224.13687	6.3
235.08328	8.7
253.21725	12.4
255.23291	6.6
279.23276	87.5
280.23669	7.4
287.07803	3.2
289.18051	5.8
291.19608	6.5
305.08755	3.3
307.19125	6.2
309.20728	20.9
379.12411	14.8
397.13477	68.6
398.13846	4.9
415.14560	12.9
527.48407	2.1
603.26910	10.3
621.27942	7.2
659.36688	2.1
677.37579	8.2
883.50208	3.8
885.89758	2.1
943.53021	2.4
944.53998	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	943.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.4
71.01383	29.6
71.49701	2.6
72.99317	4.9
73.02946	3.1
85.02956	9.1
87.00889	6.4
89.02444	23.8
89.85233	1.5
93.57373	1.9
95.01433	2.0
97.02966	3.5
101.02441	20.7
102.18466	1.8
109.68822	1.7
113.02442	12.0
116.92870	3.8
119.03505	6.7
125.02454	11.9
142.24429	2.1
143.03448	3.8
161.04527	6.8
167.10780	3.7
179.05592	6.5
195.13922	9.2
197.11856	3.3
205.12296	10.9
221.06573	2.7
223.13370	100.0
224.13702	5.3
235.08147	5.5
253.21658	13.6
255.23279	7.4
279.23267	86.1
280.23666	5.0
283.26483	3.0
289.18106	4.2
291.19690	5.6
305.08832	3.3
307.19171	4.0
309.20728	21.1
323.09793	3.1
379.12344	13.5
397.13489	78.6
398.13715	5.0
415.14297	13.9
603.26764	12.3
621.27551	6.5
670.49194	1.9
677.37189	4.8
883.50610	3.8
936.36163	2.3
943.51813	3.4
960.96643	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	941.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	3.7
81.03455	12.5
83.01382	0.6
83.05026	12.2
93.03460	4.5
109.02940	6.3
111.04520	48.8
112.04847	1.5
115.04021	2.1
119.05025	10.9
125.02467	5.6
127.04013	100.0
128.04364	1.9
129.05614	1.1
137.02432	8.4
151.04022	0.6
155.03500	90.1
156.03860	2.4
161.02458	1.2
163.03999	5.8
199.02470	93.9
200.02858	2.5
202.45667	0.6
209.81100	0.5
214.08011	0.6
217.03514	89.5
218.03917	2.6
219.94241	0.5
244.81151	0.7
287.05630	1.3
289.07153	3.6
302.40714	0.6
312.74350	0.5
326.57617	0.5
363.07159	9.7
364.07849	0.7
407.07779	4.3
425.08823	5.9
451.10370	1.2
577.13574	3.7
577.69397	0.6
614.62750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54710	0.6
71.49837	0.7
73.02940	2.8
82.43699	0.8
88.98813	1.4
99.00911	0.8
99.92586	11.3
100.92583	2.8
103.29301	0.6
116.92862	100.0
116.97198	0.7
117.01956	3.8
117.92870	23.3
118.92643	1.3
120.29394	0.8
137.12865	0.7
255.23337	1.2
337.18338	0.7
822.63763	0.9
840.93103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67212	22.1
69.67623	11.3
71.01375	29.0
87.00884	7.5
89.02432	19.4
90.49881	4.8
95.01369	7.1
98.20591	7.4
100.02572	5.1
101.02419	16.7
109.06584	8.5
113.02452	9.2
116.92853	10.1
119.03466	9.8
131.45164	5.3
132.23666	5.2
135.08215	6.5
135.98598	5.0
136.89313	6.8
141.17204	5.0
179.05634	8.1
211.13351	8.4
212.13640	9.9
221.31978	5.5
245.19112	6.4
253.21809	9.0
255.23273	70.7
256.23669	7.0
289.18082	100.0
307.19131	13.1
309.20624	9.7
379.12573	9.8
397.13553	54.3
415.14484	13.8
505.07794	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	937.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	2.3
69.41029	3.3
69.73816	0.4
73.02983	0.5
83.01381	2.4
85.02968	0.5
93.03451	0.5
95.01397	0.5
107.01392	4.3
111.00876	0.9
117.03439	0.7
119.05031	0.5
121.02879	0.4
123.00890	1.6
124.01662	5.7
125.02447	6.2
134.03748	1.2
135.04526	1.5
137.02382	0.7
139.00368	0.7
141.02022	0.6
151.00371	14.8
152.01155	41.0
153.01500	1.4
169.01350	0.6
173.06047	0.8
176.63287	0.4
177.05522	0.6
177.51807	0.5
178.99864	50.3
180.00244	2.2
181.06491	0.5
188.65063	0.4
193.01572	0.4
201.05574	0.9
215.07132	1.1
225.05484	0.7
241.05011	0.6
242.24341	0.4
243.06642	0.8
259.06104	14.3
260.06412	0.6
269.04547	33.6
270.04929	1.8
271.06152	0.7
286.04889	3.8
287.05637	9.2
288.05859	0.5
307.56906	0.4
404.92355	0.5
433.11398	100.0
434.11749	10.8
436.38626	0.5
503.24835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99575	6.1
71.01377	0.6
71.49891	0.3
73.02941	1.7
75.22193	0.2
83.78162	0.2
94.69364	0.2
94.86103	0.3
96.96004	1.0
97.13227	0.2
99.00876	0.4
99.92585	13.2
100.92609	0.3
112.98570	5.6
113.02454	0.3
114.93444	0.5
116.92860	100.0
117.01944	3.0
117.92873	4.9
117.93636	0.2
223.09785	0.2
255.23344	0.3
299.11279	0.2
397.13696	0.3
701.69867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53587	0.2
71.01390	0.3
71.32187	0.2
71.49278	0.3
73.02945	2.0
75.00874	0.5
76.47109	0.2
78.95887	0.2
87.00861	0.5
96.95970	0.3
99.00890	0.4
99.92583	12.5
100.92600	0.5
103.00375	0.3
107.69278	0.2
114.93423	0.8
115.00385	0.2
116.92860	100.0
116.97212	0.7
117.01934	3.6
117.92867	4.0
121.48595	0.2
123.10754	0.2
129.34343	0.2
171.10287	0.2
202.17517	0.2
234.80402	0.2
356.15799	0.2
434.33716	0.2
541.72723	0.2
566.43378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02945	1.2
69.03445	1.4
71.01382	16.3
73.02939	2.5
75.83981	1.3
85.02947	3.4
87.00864	5.5
89.02434	12.2
95.01337	1.3
97.02935	2.7
98.20726	3.0
99.00892	1.2
101.02441	10.8
113.02450	5.8
116.92856	13.4
117.24535	1.1
119.03533	2.0
125.02449	6.0
128.03401	1.2
143.03461	2.3
161.04498	3.7
179.05568	2.9
183.13831	5.1
185.67723	1.5
211.13382	100.0
212.13686	5.7
217.07210	1.7
235.08255	3.9
255.23289	56.6
256.23465	2.8
279.23270	2.9
282.48355	1.3
287.07578	1.8
305.08670	1.9
329.53992	1.2
379.12503	15.1
397.13489	40.9
398.13535	1.9
415.14429	7.4
465.27026	1.3
591.26398	8.9
609.27527	4.2
635.36206	4.2
653.37469	6.1
847.51221	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	935.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	9.5
78.95895	0.5
85.02956	0.5
87.00858	0.4
89.02435	0.8
94.98050	0.3
96.96012	2.2
98.20765	0.6
101.02431	0.6
109.02911	0.4
113.02435	0.6
116.92834	0.6
119.05004	1.0
125.02441	0.5
127.07629	1.2
137.02461	0.4
148.05275	1.2
151.07657	0.8
163.03993	1.0
164.08408	0.8
165.01859	0.6
167.74010	0.4
171.10254	1.3
177.09222	4.0
192.11530	7.4
193.12015	0.5
195.13829	0.6
201.11281	0.8
205.12321	4.0
207.10280	0.4
207.13870	1.9
209.11841	0.9
211.13437	2.6
217.08720	0.7
218.09369	1.8
220.14668	43.1
221.15443	100.0
222.15799	5.9
225.11432	0.3
235.13332	1.5
236.10515	85.8
237.10942	3.9
253.14330	0.4
275.20151	0.4
291.19800	0.7
293.17584	58.4
294.17981	4.1
294.21304	0.5
327.21805	0.4
397.13425	0.9
415.14487	0.4
452.56741	0.4
573.84155	0.3
899.45764	0.4
935.48114	2.5
936.48834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	25.3
71.51307	22.8
73.95728	14.2
87.00919	16.0
88.98797	15.5
89.02466	17.9
96.96003	20.1
101.02464	22.9
108.42324	16.2
109.02995	20.9
116.92878	44.5
119.05020	93.3
121.02933	17.1
125.02448	31.2
137.02469	23.8
146.04628	28.9
163.04013	100.0
180.41812	14.7
183.58688	14.7
197.11781	25.9
198.12294	17.4
201.11313	47.4
209.11842	81.1
210.12199	29.8
289.07184	26.7
291.19849	21.3
309.20682	46.0
327.21729	20.2
329.23541	18.2
397.13657	35.0
398.13751	24.0
428.14264	27.9
591.69244	16.5
937.47784	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	48.9
75.04507	23.4
78.91892	24.0
78.95913	39.8
88.98802	100.0
89.02437	39.0
96.95988	64.2
101.02456	21.1
113.02422	24.9
116.92860	28.1
125.02439	30.4
171.10229	30.2
173.79369	22.8
184.76656	26.5
209.11877	34.7
211.13393	33.8
216.18587	22.3
232.10667	24.8
234.79437	22.6
293.20959	45.0
294.21255	31.9
309.20810	22.8
355.91058	20.3
397.13058	32.7
934.47589	39.5
935.48273	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	8.3
83.01388	5.3
85.02951	2.8
107.01395	16.8
109.02967	1.4
123.04485	4.5
124.01663	1.5
125.02445	17.8
133.03058	2.0
150.03246	9.5
151.00372	76.7
151.03958	11.2
152.01172	10.8
153.01875	1.3
169.01433	2.8
175.03981	2.9
176.01064	1.7
177.01936	4.0
178.99869	14.9
191.01999	1.3
199.04042	2.5
217.05026	2.2
241.05017	1.9
285.04016	42.3
286.04443	2.3
297.09842	1.7
300.02728	1.2
301.07101	1.3
303.05075	15.1
360.65649	1.2
449.10876	100.0
450.11261	12.2
485.08350	2.6
485.20792	2.3
509.07416	1.2
838.68683	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	935.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	9.0
65.04971	2.2
67.19003	2.0
70.19397	3.8
70.19742	6.2
79.56964	2.1
83.01396	3.2
87.49535	2.0
99.07728	2.0
107.01386	17.1
123.04488	6.5
124.01676	3.7
125.02452	17.9
150.03200	7.8
150.99193	3.6
151.00368	68.9
151.04018	11.0
152.01173	11.5
153.01910	2.9
178.99854	12.1
211.26210	2.1
217.05070	3.8
238.75296	1.9
285.04031	42.2
286.04337	5.0
294.61575	2.2
303.05038	19.8
449.10880	100.0
450.11227	9.4
485.15778	2.2
625.20331	2.2
657.83942	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	933.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	0.5
83.05011	0.2
89.97360	0.2
96.96004	0.4
97.06693	0.3
98.19858	0.4
110.85331	0.2
111.08154	1.3
115.95232	0.2
121.02868	0.3
123.04509	0.3
137.02493	0.3
146.04590	0.6
163.11275	0.4
165.12843	22.4
166.13219	1.2
171.10292	0.6
181.12297	0.4
183.13895	100.0
184.14229	5.1
191.10683	0.4
207.10384	0.4
209.11824	9.1
210.12198	0.7
211.13283	0.4
227.12878	98.5
228.13177	5.7
253.09364	0.5
289.07224	0.4
401.08798	0.3
440.80945	0.3
445.20908	0.3
461.58545	0.3
583.46692	0.2
933.43164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95187	11.6
71.01398	23.6
72.99306	100.0
75.27964	12.3
77.77260	11.9
78.95892	72.6
80.75464	12.4
88.98801	93.5
89.02412	11.8
89.99158	12.4
92.92795	33.8
94.54418	14.0
96.96008	52.5
125.02473	11.9
165.71124	12.3
172.97910	11.1
435.89346	14.3
587.50659	13.9
932.43542	27.6
933.46960	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	932.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	12.0
72.99305	21.2
75.00870	29.3
78.37090	6.4
78.95919	17.3
79.95720	13.9
88.66335	6.1
88.98809	20.7
89.02462	5.7
96.96012	100.0
96.96947	9.7
102.55413	6.6
125.02472	7.4
155.71864	6.2
171.10272	8.0
229.13275	6.0
237.61961	6.7
244.36696	6.0
253.09323	12.2
286.45126	6.6
291.19769	9.0
293.21320	7.8
327.21616	9.8
407.11874	6.7
442.35187	6.8
933.48212	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26604	1.8
68.99560	3.6
71.01387	18.8
73.02946	2.6
78.95901	9.5
79.95730	4.7
81.88953	2.0
85.02950	3.1
87.00887	4.3
89.02431	8.8
94.98114	2.8
96.96009	100.0
96.96985	7.6
97.02943	2.0
101.02444	8.7
107.29092	1.6
112.98624	3.2
113.02454	5.2
116.92897	2.2
119.03516	2.8
125.02440	4.1
143.03490	2.6
161.04601	2.4
163.11272	3.1
171.10255	26.7
179.05569	2.8
181.12326	2.3
201.11314	12.6
206.92253	1.9
207.10236	9.1
225.11250	18.3
230.30902	2.2
235.08162	3.5
243.12440	2.3
253.09410	2.0
255.23286	32.6
256.23520	4.0
379.12396	11.6
397.13538	34.6
398.13956	2.2
415.14468	7.4
439.14783	2.7
551.23572	4.2
595.96240	2.0
605.24274	3.3
623.25177	3.2
635.36609	3.8
641.53546	2.3
653.37354	8.8
835.47229	5.1
861.48517	14.9
915.46881	5.8
923.51892	2.1
933.50903	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	932.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45233	79.8
69.45657	55.8
71.01381	100.0
85.02953	18.2
87.00853	18.8
89.02416	41.7
96.95998	75.7
101.02392	22.1
102.05654	26.4
125.02458	29.3
145.71681	21.9
146.04526	44.4
171.10246	54.8
197.11832	36.8
201.11368	20.3
207.10323	38.1
209.11754	57.2
224.60001	19.5
225.11270	51.9
291.19571	58.2
293.21078	35.7
309.20587	56.9
315.01724	19.0
327.21844	32.5
341.23221	32.2
397.13455	80.8
932.45984	26.7
933.45898	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20209	12.6
71.01367	23.6
71.49514	18.0
72.99287	15.8
75.00877	11.6
78.91871	18.7
78.95920	39.7
79.95736	15.8
87.82549	11.3
94.98091	26.3
96.96030	100.0
113.16644	12.0
116.92833	16.7
157.72778	11.6
163.01151	12.6
187.09702	13.9
209.11836	16.6
790.88019	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	932.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79912	42.7
71.01392	52.7
71.18034	78.4
72.92555	39.6
95.42278	43.1
125.02425	39.2
153.23715	41.9
162.26247	42.2
209.11818	100.0
255.23335	52.7
309.81680	41.2
310.15848	48.6
468.08405	44.1
591.52844	55.7
713.02441	51.6
909.22736	50.8
910.55750	49.9
932.52972	56.6
964.24133	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	100.0
71.49641	19.0
78.95902	32.1
79.95759	27.0
82.49911	20.6
89.02406	19.5
96.95985	62.9
109.00034	18.8
171.10300	43.1
195.48138	20.4
201.11308	27.0
207.10167	39.7
253.27594	18.9
255.23233	51.7
309.20612	20.5
374.44031	19.0
397.13370	40.3
544.82611	24.2
561.57050	21.3
932.49377	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	932.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	25.0
71.49404	6.0
72.99338	5.8
78.95905	18.7
79.01489	6.3
79.95708	11.5
89.02439	9.8
94.98103	9.2
96.96015	100.0
96.96966	9.2
101.02456	7.5
113.02445	6.5
125.02489	7.9
171.10283	26.8
201.11284	9.8
207.10301	7.3
225.11282	17.7
253.09103	9.1
255.23383	30.2
260.08054	6.0
379.12253	10.4
397.13547	40.4
861.48547	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	931.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81367	4.5
68.99567	40.2
71.01375	18.0
77.15395	4.6
77.26005	5.1
89.02436	9.4
101.02452	11.4
105.01915	7.8
112.98574	37.3
113.02428	8.8
117.42722	4.5
125.02454	7.7
137.15410	4.5
163.08105	4.7
200.27147	5.2
209.09911	8.5
209.11819	100.0
210.12206	7.0
221.69878	5.0
227.12885	19.6
235.08040	5.2
255.23335	51.7
305.08792	4.7
379.12271	22.1
397.13452	70.7
415.14633	9.6
493.35019	4.6
589.24896	12.5
607.25909	8.4
635.36414	15.7
653.37811	14.7
845.49872	8.4
878.67114	6.2
931.50885	47.1
932.50970	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	931.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	3.4
71.01383	12.9
71.57711	0.7
72.99289	1.2
73.02952	1.9
75.00859	0.7
78.59357	0.7
78.59784	0.7
81.03452	1.0
81.94772	0.6
83.01369	1.7
83.05032	1.6
85.02953	7.8
87.00874	2.6
89.02448	10.3
95.01416	1.0
95.05042	1.2
96.96032	0.8
97.02949	3.4
97.06573	2.4
99.00861	1.1
101.02449	8.7
109.02941	1.8
109.06565	1.4
111.08192	0.9
113.02459	4.5
119.03493	3.3
119.05050	0.8
121.02937	1.3
123.04496	0.7
125.02454	5.0
125.09773	1.0
127.11292	1.5
137.02432	2.0
137.09744	1.6
143.03497	1.3
149.02444	0.6
149.09694	1.1
151.04041	0.7
155.10696	1.2
161.04579	2.5
165.01875	1.1
165.12880	1.0
167.10788	2.0
171.10263	22.3
172.10519	0.7
175.02470	0.7
177.12788	1.2
179.05615	2.4
179.14401	1.9
183.13924	3.1
185.11792	1.8
195.13885	5.1
197.11830	2.0
201.11316	1.1
205.12305	3.2
209.11815	3.3
211.11449	1.4
211.13387	17.1
212.13708	1.3
213.11478	0.8
221.06598	1.5
221.11763	2.2
223.13374	27.2
224.13737	0.9
225.11336	0.9
229.14418	9.1
235.08206	2.8
239.12994	1.2
241.14389	1.6
242.85893	0.6
247.20717	0.8
253.09334	1.9
289.07077	2.6
291.19601	4.8
293.21268	1.3
305.08716	1.1
309.20654	12.8
310.21194	1.8
327.21750	100.0
328.22116	7.2
331.99783	0.6
351.21866	0.7
397.13480	23.6
398.13614	1.2
415.14551	14.0
496.55698	0.7
533.34973	2.2
545.29681	0.8
548.44232	0.7
554.93005	0.7
569.59955	0.8
618.63196	0.7
621.27466	8.3
622.27911	1.3
660.62201	0.7
707.35089	5.3
708.34991	0.8
725.36084	5.7
726.35760	0.8
781.43524	0.7
928.88727	0.7
931.47998	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	931.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23229	1.5
69.03443	2.4
70.93567	3.1
70.93899	1.8
71.01384	12.4
73.95942	1.3
74.92892	1.3
75.25590	1.2
81.03452	4.8
83.01379	12.4
85.02942	4.5
89.02458	8.7
93.03452	5.4
95.01384	5.3
95.05029	5.2
96.96021	2.2
97.02942	8.6
101.02438	11.5
107.04993	2.2
108.02163	3.8
109.02956	39.9
111.00867	2.0
113.02431	4.1
116.28250	1.6
117.03449	2.4
119.03497	2.6
119.04989	1.8
121.02963	7.9
122.03745	4.8
123.00867	2.6
123.04520	28.9
124.01659	56.5
125.02449	39.5
132.20493	1.3
133.02954	9.8
134.03709	1.7
135.04504	5.2
137.02440	50.6
138.03227	1.7
139.03979	6.2
143.05025	1.8
145.02937	3.2
146.03697	3.3
147.04497	1.4
149.02467	11.4
150.03172	5.5
151.00374	1.7
151.02887	1.6
151.04008	19.0
152.01181	1.3
156.36150	1.3
159.04495	6.6
160.01633	3.9
160.05273	2.1
161.02435	56.2
161.06038	8.4
162.03114	6.4
163.00334	5.5
163.04016	14.0
164.01141	16.5
164.04736	2.1
165.01981	10.7
166.02795	2.0
167.03452	3.2
173.06029	2.1
174.03203	5.7
175.03995	14.3
175.07640	3.9
176.01135	2.9
177.01907	8.7
177.05630	2.5
178.02539	1.7
179.03499	10.5
185.06053	2.6
187.04001	18.4
188.04738	6.5
189.01863	3.2
189.05492	2.6
190.02621	1.9
191.03531	3.9
199.03972	4.4
200.04716	2.7
201.05513	5.0
202.06317	4.1
203.03452	5.7
203.07121	19.4
204.04138	2.5
204.07300	1.7
205.01387	3.9
205.05048	13.9
211.03912	1.7
212.04915	1.8
213.05583	2.7
215.03487	5.1
216.04207	2.6
217.05023	3.1
221.08208	3.5
227.03511	4.0
227.07170	3.8
228.04198	4.0
229.05035	4.8
231.02950	3.9
241.04982	1.9
243.02910	5.0
244.03642	4.6
245.04378	4.4
245.08177	23.8
246.08583	2.2
247.06020	2.6
253.04938	1.6
255.02948	10.8
256.03735	8.8
257.04465	3.6
269.04581	2.7
271.06226	2.5
273.04062	1.9
281.04504	5.4
283.02661	7.4
283.05548	1.7
286.04739	2.9
287.05783	1.6
288.02713	3.7
289.07172	100.0
290.07559	4.9
295.06113	3.4
299.05621	15.4
299.16592	5.2
315.08939	1.5
339.08667	5.5
449.09793	1.7
451.10336	28.4
452.10449	2.9
476.00296	1.9
479.22864	92.1
480.23520	8.6
518.21362	2.1
519.22449	3.3
529.23999	2.1
545.16388	2.3
599.24933	8.9
609.23407	5.4
627.24408	7.3
641.25958	67.7
642.26404	12.2
643.27368	2.6
735.30212	4.4
737.73224	1.7
761.28064	66.2
762.28442	14.7
779.29181	55.0
780.29907	11.1
913.33691	2.2
931.33826	31.8
932.34265	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	931.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76251	1.3
67.74983	1.3
68.15362	1.4
69.03460	1.8
70.47717	3.9
71.01389	12.0
72.99290	2.5
81.03445	3.3
83.01379	10.3
85.02955	3.6
87.00867	1.5
89.02466	8.7
90.37417	1.4
91.01853	1.6
93.03445	5.2
95.01367	3.8
95.05012	4.5
96.96016	1.5
97.02953	6.3
99.00884	1.5
99.11758	1.4
101.02424	8.5
108.02151	2.3
109.02228	2.5
109.02954	36.3
113.02449	4.0
114.79077	1.5
117.03415	2.2
119.03468	3.6
119.04933	1.8
121.02937	6.4
122.03726	3.2
123.04536	25.5
124.01669	50.3
125.02462	31.9
132.02145	2.2
133.02960	7.6
135.00873	1.8
135.04483	5.6
137.02443	42.3
139.04002	8.1
145.02966	1.8
146.03654	2.6
147.04514	2.0
149.02443	11.4
150.03206	4.8
151.04013	20.3
155.81396	1.4
159.04495	3.8
160.01666	1.9
160.05299	2.3
161.01126	3.1
161.02451	49.6
161.06096	8.1
162.03226	8.1
163.00349	7.2
163.04021	10.4
164.01169	12.5
165.01930	9.9
165.05481	2.2
167.03468	2.8
167.62863	1.4
173.06020	3.3
174.03191	4.1
175.03986	12.2
175.07588	2.2
176.01222	1.8
177.01930	7.8
177.05573	1.6
179.03474	8.2
185.06059	3.6
187.04018	14.6
188.04799	8.3
189.01923	3.8
189.05492	2.0
190.02701	1.5
191.03456	2.8
201.01981	1.4
201.05525	4.5
202.06367	5.1
203.03430	6.1
203.07132	20.0
204.04324	2.2
205.01369	5.7
205.05054	11.6
212.04721	3.1
213.05550	1.9
215.03494	5.0
216.04214	1.5
217.05026	3.5
221.08134	2.4
226.02745	2.4
227.03459	3.8
227.07123	3.7
228.04297	2.5
229.05034	6.0
229.08652	1.6
230.05745	2.2
231.03004	2.7
243.03008	4.3
244.03778	2.9
245.04597	2.2
245.05518	1.6
245.08148	22.9
246.08524	1.8
247.05994	2.1
255.03027	10.0
256.03723	7.7
257.04504	3.0
269.04443	2.5
273.03983	1.8
281.04520	4.3
283.02441	5.2
286.04819	2.3
288.02744	3.2
289.07184	100.0
290.07452	5.9
295.06158	3.1
299.05637	11.4
299.16428	4.4
322.62955	1.7
329.06607	2.7
339.08688	4.3
451.10342	26.2
452.10037	1.6
479.22870	89.3
480.23065	9.2
519.22418	2.5
529.24329	2.5
583.25189	1.4
599.24927	5.8
609.23499	1.9
627.24921	8.8
641.25952	64.2
642.26556	11.2
735.30115	6.3
761.28223	60.8
762.28778	9.4
779.29297	42.5
780.29327	9.4
861.47070	1.7
913.32013	2.6
931.34033	27.3
932.33673	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	930.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93707	5.0
68.35464	4.8
68.99584	5.4
71.01365	10.2
71.50095	8.7
72.99303	10.6
76.27621	5.2
78.95883	7.9
87.04623	5.0
91.07731	5.2
105.01931	100.0
107.29184	5.5
110.34013	4.8
115.88435	5.4
129.00821	5.2
230.12894	5.0
255.23236	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	931.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	7.7
71.52850	2.5
81.03452	2.5
83.01389	4.4
84.31947	1.6
85.02946	3.8
86.82434	1.8
89.02455	5.2
93.03466	2.8
95.05027	1.7
97.02925	3.5
101.02431	6.2
108.02170	6.0
109.02957	14.4
113.02463	2.2
119.05028	13.8
121.02979	5.2
122.03743	7.9
123.04507	12.9
124.01669	12.6
125.02452	100.0
133.02966	8.2
134.03683	3.0
135.04529	4.0
136.01662	5.9
137.02454	34.9
139.04015	3.4
149.02420	7.9
150.03230	3.8
151.04012	9.9
159.04526	3.1
161.02443	42.5
161.06067	6.2
162.03233	3.2
163.00366	3.1
163.04002	34.7
164.01122	5.4
165.01936	29.0
165.05518	1.9
168.92406	2.0
174.03275	2.7
174.56050	1.6
175.03935	5.5
177.01892	7.7
177.05518	2.9
179.03467	4.2
184.63426	1.7
187.03960	5.3
191.07156	10.8
201.05472	2.0
202.02757	1.9
202.06363	1.6
203.03511	4.7
203.07056	9.2
205.01372	2.4
205.05011	7.5
214.02625	2.0
215.03523	3.4
216.04146	1.9
217.05049	1.7
221.48204	1.9
227.03416	2.6
228.04312	2.1
229.04945	4.6
243.06548	3.1
245.04424	10.6
245.08163	4.0
255.03011	8.4
256.03772	9.7
257.04535	2.3
269.04825	1.7
281.04471	3.4
283.02380	6.7
283.05667	2.3
287.05563	11.1
288.02795	3.9
289.07141	14.5
295.06119	5.3
311.05453	5.6
365.10022	5.8
377.08969	2.4
409.12494	5.9
419.22336	1.9
431.27451	2.0
451.10223	4.8
479.22687	16.8
491.22964	8.7
492.22964	2.1
519.22437	2.1
541.25012	1.8
599.24573	2.1
609.23657	4.6
627.24524	5.1
641.25677	12.8
642.25818	2.6
643.27502	55.6
644.27863	6.9
653.25806	10.5
719.48114	1.8
735.29138	3.3
761.28168	68.7
762.28674	13.9
779.29211	22.0
780.30017	4.1
805.31055	16.3
806.31226	2.8
931.33875	17.9
932.33850	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	926.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00950	37.2
88.34823	39.5
88.98824	41.3
98.19861	85.9
105.01913	83.6
109.63769	35.2
116.92860	100.0
120.00880	33.6
130.96680	39.3
209.11742	91.2
255.23340	56.0
302.66614	40.5
616.32892	42.0
964.91315	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76488	10.6
65.27402	11.7
69.20673	12.8
69.20963	100.0
72.99292	12.1
75.00870	17.2
88.98785	42.3
89.02409	17.4
98.20618	18.4
101.02405	11.7
103.00359	15.4
105.01941	89.4
116.92819	17.7
118.92783	9.7
120.83455	12.1
128.37518	10.5
175.99263	10.4
209.11792	27.5
218.61261	10.8
255.23241	23.6
397.13382	14.7
405.08795	11.2
768.50537	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	929.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.7
72.99315	0.5
78.95908	0.5
84.02174	0.3
85.02974	0.3
87.00878	1.4
88.00402	2.8
88.98808	100.0
89.02444	8.8
89.99139	0.8
97.02932	0.3
98.20680	0.4
101.02411	0.3
110.48143	0.3
125.02480	0.3
151.04033	0.3
152.99464	0.3
171.10251	0.4
195.13956	0.3
209.11844	0.5
211.13416	0.5
223.13431	0.7
253.09343	1.2
291.19690	0.4
293.21225	4.6
294.21472	0.4
309.20688	1.2
321.24075	0.4
327.21799	1.4
328.22110	0.3
341.23392	1.0
397.13516	1.0
533.08331	0.3
621.28479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.511
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47495	1.9
65.73225	1.9
70.49860	4.6
70.50266	4.4
70.86280	2.0
71.01380	100.0
72.99309	13.6
73.02930	2.3
75.00872	2.4
81.03468	1.9
83.05031	2.5
85.02959	3.1
87.00838	2.3
88.98804	29.7
89.02436	10.0
95.01360	2.0
97.02927	8.9
101.02457	6.1
105.01936	4.3
109.06595	19.9
111.08134	3.0
113.02451	3.0
113.65284	1.8
121.06602	2.2
125.02484	2.2
125.09730	2.0
135.08203	2.1
154.16426	2.0
161.04573	2.1
163.11247	12.0
171.10251	19.7
181.12318	4.8
185.11775	2.2
197.11795	15.9
201.11256	7.8
207.10257	54.1
209.11821	6.1
211.13301	3.4
223.13297	3.2
225.11310	31.6
226.11473	2.5
227.12874	2.8
235.08177	3.3
243.12265	2.4
253.09320	18.4
282.73587	2.0
291.19659	25.1
309.20694	43.8
310.21036	3.2
443.19528	3.6
461.20175	11.1
619.05536	2.2
695.53638	1.9
753.40710	16.5
771.41577	3.4
929.49689	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	925.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83897	0.7
68.99835	1.0
69.03441	2.6
71.01384	30.5
71.05022	0.8
72.99316	3.4
73.02959	5.0
75.00868	1.9
81.03441	1.2
83.01406	3.5
83.05037	1.0
85.02959	6.0
87.00875	7.1
88.00397	1.2
88.98807	20.2
89.02448	22.3
95.01385	2.7
95.05005	1.1
97.02944	4.3
99.00839	1.5
101.02444	21.3
105.01922	0.9
111.04498	0.8
111.08153	0.7
112.23951	0.6
113.02457	10.7
113.38766	0.7
116.92854	1.1
119.03498	5.6
125.02441	7.6
131.03468	0.8
139.03999	1.1
141.01755	0.8
143.03534	3.6
161.04613	4.2
167.10730	2.1
177.12959	0.7
179.05626	7.0
179.14444	2.2
195.13884	15.4
196.14330	1.0
205.12309	4.7
205.15942	0.8
207.13814	1.6
207.17577	5.2
211.13383	0.8
214.21422	0.6
221.06595	3.5
223.13409	50.8
223.16904	19.4
224.13747	2.7
224.17522	1.2
225.14890	1.4
228.13515	0.9
233.15466	10.7
235.08249	5.5
251.16516	81.1
252.16925	5.9
253.09341	1.6
256.13138	0.9
256.16843	1.4
275.20120	3.6
284.16357	1.3
287.07764	1.6
293.21219	100.0
294.21552	7.1
303.23422	3.9
305.08624	3.1
321.24335	75.5
321.90164	0.7
322.24661	8.7
323.09854	1.4
357.23996	0.8
379.12399	4.4
397.13498	58.6
398.13824	2.8
415.14551	23.0
416.14844	1.8
527.36908	1.0
603.26660	2.1
621.27490	3.6
631.29614	3.2
649.30786	13.6
650.31079	2.2
691.35443	1.4
699.22314	0.7
701.37842	0.8
719.39117	1.6
752.12488	0.7
792.80841	0.8
853.26837	0.9
856.45770	0.8
925.50763	2.2
926.52728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10498	3.9
66.73814	3.5
70.05287	17.2
71.01376	25.1
75.00882	8.9
83.05010	5.4
84.80125	3.7
85.02938	6.9
87.00872	7.6
88.98805	12.7
89.02450	15.1
96.96009	9.6
97.02930	6.2
99.00804	3.7
99.92534	6.1
101.02473	23.2
103.00385	19.0
110.85930	4.1
111.04488	4.3
113.02443	9.2
115.92097	3.9
116.92869	30.9
125.02451	12.3
161.09644	4.5
169.12206	3.8
179.05650	4.7
197.11882	5.4
199.13405	18.6
209.11815	100.0
227.12851	30.8
235.08208	6.5
255.20670	5.2
255.23286	82.0
256.23639	8.4
305.08398	4.2
379.12494	19.5
397.13522	56.6
415.14377	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	924.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	21.3
87.00881	10.5
87.91912	10.8
88.98803	17.9
89.02437	12.7
99.00856	18.3
99.92573	14.9
101.02457	11.2
115.77528	10.3
116.92855	100.0
117.92854	22.6
131.35452	9.2
199.13312	10.3
209.11795	40.0
225.11261	21.7
226.11665	15.6
227.12865	13.4
255.23271	56.6
256.23593	28.2
397.13358	20.4
479.06232	11.1
479.56454	9.8
498.80649	10.0
502.05576	11.1
634.34894	10.4
759.71246	11.0
863.49658	13.2
864.49988	49.4
864.65552	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	923.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64063	0.4
71.01388	0.3
73.02944	3.6
75.00875	0.4
87.00889	0.2
89.02440	0.3
99.00854	1.0
99.92577	12.9
100.92591	0.4
101.02431	0.3
114.93414	0.9
115.00392	0.1
116.92856	100.0
117.01084	0.3
117.01932	5.1
117.05584	0.2
117.92866	4.5
118.02365	0.1
133.72743	0.2
161.17603	0.2
209.11800	1.0
215.64519	0.1
227.12857	0.2
235.45367	0.1
255.23311	0.8
293.21313	0.3
368.41702	0.2
379.12659	0.2
397.13495	0.5
426.04028	0.2
890.26288	0.2
923.48212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83308	5.3
71.01385	16.3
72.99294	2.5
73.02937	3.3
75.00857	1.7
78.94062	1.0
78.95883	1.1
81.03466	1.9
83.01372	2.4
83.05018	3.5
85.02934	3.5
86.51289	1.0
87.00900	5.5
89.02435	12.8
95.01369	1.3
95.74196	1.0
97.02954	2.4
98.19989	1.9
99.00893	2.9
99.92576	3.0
100.56971	1.0
100.92610	1.2
101.02441	13.8
103.00387	2.0
113.02439	6.8
116.92857	38.2
117.92860	11.4
118.92643	5.9
119.03473	4.9
120.31113	1.0
125.02430	7.1
143.03477	2.9
161.04573	3.8
163.11227	3.3
179.05605	3.1
191.10808	1.4
199.13365	1.5
207.10078	2.0
209.11815	100.0
210.12161	5.0
217.07060	1.8
221.06598	1.1
225.11375	2.3
226.11591	1.8
227.12885	12.2
235.08212	4.4
236.57121	0.9
255.23285	64.3
256.23630	5.5
287.07639	2.7
305.08594	1.7
323.09796	2.1
379.12497	14.5
397.13495	41.2
398.13846	3.5
398.74390	1.2
415.14542	8.5
589.25067	2.6
607.26038	2.6
635.36279	2.8
653.37415	4.1
863.48700	5.1
923.46680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00177	0.7
73.01659	0.3
88.98803	0.4
93.03456	2.9
96.95982	0.3
112.47882	0.3
116.92854	2.9
117.03461	12.1
118.03806	0.7
119.05025	100.0
120.05360	3.4
121.02959	3.3
122.03738	6.5
123.00838	0.3
123.04559	1.7
125.02405	0.5
133.02953	0.7
134.03714	0.5
136.01649	0.9
137.02408	0.5
138.03169	0.3
145.02950	24.8
146.03426	0.5
149.02441	8.1
150.03221	32.2
151.04024	2.0
161.02423	0.6
162.03162	0.3
163.04004	67.9
164.04361	2.5
165.05565	26.7
166.05902	1.1
168.02747	0.3
177.05556	1.3
179.07150	0.5
180.04250	2.1
181.05025	1.2
195.06609	7.6
201.05632	0.6
217.05099	0.3
279.16217	0.4
299.05838	0.4
339.08716	1.0
353.10129	0.3
354.11002	0.8
367.11823	0.5
398.10135	0.4
471.14612	0.4
501.18961	1.5
529.14398	0.6
543.16565	0.4
544.17493	2.5
545.18140	16.6
546.18506	2.0
559.20422	0.3
599.19342	0.7
605.61847	0.3
617.20441	0.4
635.21558	0.4
636.22015	0.4
649.24731	1.0
693.23413	4.3
694.23859	0.8
697.26221	0.7
709.22821	0.7
723.23889	1.5
726.23187	1.6
727.23755	2.2
728.24646	0.4
729.25891	1.2
741.25494	18.3
742.25964	4.2
748.61633	0.3
905.30402	1.4
906.30829	0.4
923.30914	1.9
923.47540	0.5
924.31366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.4
73.02950	0.4
78.95874	0.4
93.03455	2.6
99.92601	1.2
116.34343	0.4
116.92002	0.4
116.92852	12.3
117.03468	13.2
117.92930	0.6
119.05024	100.0
120.05356	3.6
121.02966	2.9
122.03758	3.0
123.04532	1.6
125.02437	0.7
130.04189	0.5
131.05023	0.6
132.05826	0.5
134.03757	0.6
137.02422	0.5
137.83261	0.4
142.20366	0.4
145.02951	26.0
146.03328	0.6
149.02441	5.4
150.03224	22.2
151.04033	2.6
155.53183	0.4
162.03239	0.8
163.04007	67.0
163.78885	0.4
164.01114	0.4
164.04311	2.6
165.01837	0.4
165.05556	13.7
166.05887	1.0
177.05553	1.6
180.04271	1.3
181.05072	1.2
195.06593	3.3
209.11726	0.6
299.05200	0.5
318.08972	0.8
333.11264	1.0
339.08667	0.6
353.10297	0.7
354.11182	0.7
377.10666	0.4
398.10062	0.5
495.46564	0.4
501.19528	1.8
530.15833	0.5
543.19214	0.5
544.17450	2.4
545.18170	8.6
546.18408	1.8
569.04016	0.4
580.79755	0.5
599.19019	1.1
617.20557	0.5
635.21411	0.9
649.24432	2.7
693.23322	6.2
694.23627	1.2
697.26379	1.3
705.22150	0.5
709.23242	0.5
723.24603	1.7
726.23505	1.6
727.24634	0.7
729.25452	0.8
730.25409	0.4
741.25507	20.3
742.26044	3.3
905.30182	2.1
906.30804	0.7
923.31250	1.4
923.48566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05326	3.4
98.19855	7.0
98.99429	4.6
99.92575	13.3
114.93403	6.9
116.92854	100.0
117.01933	5.3
223.13335	6.0
224.13780	6.0
376.54361	4.9
390.15195	3.8
403.64178	4.7
532.32013	4.2
567.14081	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	923.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	2.0
67.01894	1.4
69.03447	1.9
69.17220	4.8
71.01397	1.2
71.05015	0.5
73.02925	0.8
73.36102	0.5
81.03461	2.6
81.19729	0.5
83.01385	6.4
85.02957	1.6
91.01894	13.3
93.03445	1.5
95.01389	0.7
95.05011	1.5
97.02946	2.5
97.06520	0.5
98.20663	1.1
99.00870	1.0
99.04494	1.2
101.02425	0.7
107.05013	0.8
108.02148	0.7
109.02950	42.9
110.03273	1.3
111.04463	0.5
113.02451	2.3
119.05082	0.5
121.02937	3.0
122.03751	1.3
123.04501	2.1
125.02437	13.0
133.02934	0.7
135.00879	25.7
135.04480	1.5
137.02440	59.1
138.02802	1.7
139.04062	1.0
146.03780	3.6
147.04492	2.2
148.01672	1.5
149.02432	3.2
149.06023	1.0
150.03223	10.7
151.03996	1.9
153.01923	19.8
159.04504	3.2
160.05199	0.8
161.02451	0.9
161.06078	1.4
162.03226	1.1
163.03975	1.7
164.01166	4.1
165.01918	17.6
165.05547	1.3
166.02306	0.7
167.03493	12.2
172.05322	3.4
173.06021	4.3
174.03207	3.4
174.06833	1.2
175.04024	4.3
175.07663	6.8
176.04733	1.4
177.01938	2.3
177.09174	0.7
179.03490	4.0
185.06055	1.0
186.06789	0.7
187.04005	2.8
187.07628	2.6
188.04770	2.5
189.05521	1.2
189.09200	1.7
190.02625	0.8
190.06305	1.1
191.03481	0.6
193.05156	0.7
197.06050	0.7
199.07658	1.3
200.04768	3.7
200.08389	0.9
201.05476	0.8
201.09189	7.8
202.09541	0.7
203.07108	5.5
204.04239	1.0
205.05026	1.4
205.08713	1.5
209.06139	0.6
211.07681	0.6
215.07112	0.9
216.07957	0.9
217.05182	0.6
217.08681	11.5
218.05830	0.9
218.09111	1.4
223.09578	0.7
225.05467	0.6
227.07254	0.6
229.08675	6.8
239.06985	0.7
241.08737	1.5
243.06497	0.6
247.09734	13.4
248.10155	0.7
255.10071	0.5
281.11768	1.5
297.11337	1.0
299.12830	1.9
323.09586	0.6
323.12897	3.3
341.13840	0.6
341.19791	0.7
367.11847	10.2
368.12155	1.0
385.12897	59.2
386.13333	4.3
429.10324	100.0
430.10721	8.6
627.24023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.525
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99570	100.0
69.03452	1.5
69.99921	0.4
71.01379	9.7
72.99302	0.7
73.02946	1.5
81.03484	0.6
83.01389	1.2
85.02935	2.0
87.00879	1.6
89.02446	6.6
95.01376	0.8
97.02942	1.7
97.44706	0.4
99.92596	0.4
101.02438	5.8
101.94911	0.4
112.98564	87.9
113.02444	4.1
113.98879	0.6
116.92861	2.1
119.03471	2.2
125.02452	2.8
131.03511	0.4
143.03459	1.5
161.04562	2.1
167.10777	1.0
179.05624	1.9
179.10823	0.5
179.14421	0.9
195.13863	4.0
205.12355	4.0
217.07208	0.5
223.13377	38.0
224.13737	1.8
229.34273	0.4
235.08156	2.0
255.23291	29.0
256.23587	2.1
305.08624	0.6
323.10043	0.5
379.12473	5.2
380.12689	0.5
395.88416	0.4
397.13504	20.7
398.13690	1.7
415.14545	4.1
603.26501	3.9
604.26843	0.5
621.27606	3.4
635.36145	1.8
653.37439	3.1
654.36761	0.5
859.50073	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	922.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17069	1.9
68.99558	5.1
73.02948	2.2
83.78822	2.4
84.61986	2.0
92.60873	2.1
93.78271	2.1
98.20633	9.7
99.92610	12.3
101.52307	2.4
105.88794	2.5
112.98571	6.6
114.93437	7.0
116.92862	100.0
128.65562	2.2
138.47054	2.3
158.22066	2.1
171.84576	2.3
181.26323	2.2
223.13385	4.5
255.23259	5.4
287.37811	2.5
397.13303	2.7
689.81494	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	919.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99571	100.0
69.03442	1.2
71.01382	11.6
71.05010	0.4
72.99310	1.1
73.02947	1.5
77.00436	0.3
81.03423	0.4
83.01399	1.0
85.02950	2.3
87.00868	2.5
89.01268	0.3
89.01921	0.7
89.02450	7.4
95.01385	0.8
95.05030	0.5
97.02945	1.8
99.00867	0.8
99.92541	0.3
101.02451	7.5
109.02929	0.4
111.04543	0.4
112.98566	81.6
113.02444	5.1
113.98869	0.7
116.92867	2.9
119.03523	1.7
125.02443	2.9
131.03499	0.4
139.04050	0.6
143.03499	1.2
161.04568	2.0
167.10785	0.8
179.05510	2.2
179.10753	1.0
179.14400	1.6
195.13867	5.2
199.06226	0.5
205.12343	4.1
221.06621	0.8
223.13383	43.6
224.13782	2.2
234.20477	0.3
235.08211	2.9
245.06732	0.4
255.23274	33.7
256.23575	2.1
262.02585	0.4
269.24979	0.4
276.43753	0.3
287.07761	1.1
305.08740	1.0
323.09818	0.8
379.12378	5.8
390.50122	0.3
394.34973	0.4
397.13486	24.7
398.13910	1.8
415.14563	5.2
427.03516	0.5
603.26538	6.1
606.23126	0.4
621.27759	2.9
622.27844	0.4
635.36188	1.6
653.37531	3.5
859.50842	2.9
860.50507	0.5
944.07422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.503
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13428	0.3
68.99572	100.0
69.03471	0.4
70.07539	1.3
71.01385	3.1
72.99268	0.3
73.02953	0.6
85.02946	0.6
87.00888	0.5
89.02440	2.7
89.85232	0.3
97.02947	0.4
101.02439	2.5
102.54247	0.3
112.98567	84.2
113.02415	1.4
113.98901	0.6
116.92864	0.7
119.03512	0.8
125.02422	0.9
158.96304	0.3
161.04533	0.5
179.05605	0.9
179.14461	0.5
195.13910	1.2
205.12254	1.4
221.06834	0.3
223.13393	14.9
224.13776	1.1
235.08286	0.7
255.23294	11.0
256.23599	0.8
277.17499	0.3
379.12479	2.0
397.13516	8.1
398.14053	0.9
406.81638	0.3
415.14517	0.8
603.26080	1.5
621.27661	0.6
625.13397	0.3
653.37152	0.9
654.17511	0.4
733.37225	0.3
810.05408	0.3
859.50403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99270	14.0
69.14058	11.3
78.95905	45.1
79.95719	23.1
82.04865	12.6
91.60366	11.6
96.96016	44.0
121.02905	16.5
136.28741	13.6
140.83859	13.6
141.85208	15.8
173.23000	14.8
198.14223	12.4
229.46950	15.8
236.42215	15.8
278.06528	19.0
293.21255	100.0
294.21545	47.4
341.58542	18.0
474.32867	14.5
522.42145	14.4
624.34668	15.1
666.41333	17.0
820.45477	15.5
887.47296	21.3
918.46771	55.8
919.48401	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69766	33.0
71.01390	100.0
78.79998	30.2
81.79115	32.6
85.67235	32.5
96.96055	36.9
125.02426	37.0
171.10304	59.8
225.11333	49.2
269.75244	35.5
288.84457	42.8
293.21185	79.3
397.13586	81.7
549.40222	33.3
603.56073	40.4
919.49127	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98457	18.4
71.01381	78.1
72.47865	18.6
75.18037	18.9
80.80074	17.2
80.96523	29.5
85.02950	25.6
87.00909	19.8
89.02433	47.4
96.95987	52.7
101.02454	19.8
109.79159	19.6
110.40511	18.2
113.02432	34.8
116.92865	65.0
120.63840	18.8
125.02423	28.3
128.90129	28.6
129.01979	25.1
131.03549	27.7
137.02478	17.7
171.10251	54.5
191.18698	20.0
207.10240	26.5
209.11858	53.1
211.13525	38.2
225.11385	32.4
227.12901	33.4
235.08081	22.9
289.07022	30.1
291.19653	27.2
293.21176	34.1
295.22787	59.4
309.20627	24.8
310.20868	23.5
397.13419	76.3
398.13245	22.1
415.14590	30.7
918.46765	88.3
919.46747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29778	0.5
68.88424	0.6
69.03456	2.1
70.70874	1.7
71.01382	18.7
72.59875	0.5
72.99316	1.4
73.02943	2.7
80.02678	1.2
81.03461	2.4
83.01386	1.9
83.05022	6.3
84.02160	0.9
85.02953	4.4
87.00883	4.3
87.04523	0.6
89.02441	18.8
95.01394	1.6
95.05016	1.6
96.96013	1.8
97.02945	6.2
99.00877	1.4
99.04501	0.7
101.02439	14.5
109.06568	1.8
111.04523	0.8
111.08158	4.9
112.21369	0.6
113.02441	9.0
116.92883	0.7
119.03506	5.0
121.02975	0.7
123.04538	0.6
123.08195	0.7
125.02451	6.2
125.06052	0.8
125.09762	1.0
126.90393	0.7
127.07642	0.6
127.11314	0.6
128.03528	1.2
131.03490	1.2
135.08153	0.9
135.88232	0.6
137.02435	0.7
137.09714	0.8
141.01965	1.1
143.03516	2.6
146.04611	1.1
149.04582	0.8
151.11328	0.7
153.12828	0.6
161.04582	4.1
161.09837	0.6
163.11282	6.2
164.11568	0.7
165.12860	4.3
167.03445	0.9
169.12334	2.4
171.10243	7.7
179.05635	4.9
181.12325	2.2
183.13858	1.5
191.10748	1.1
195.13902	1.6
197.11827	24.5
198.12164	0.6
199.13402	3.2
201.11285	3.4
207.10243	1.7
209.11819	100.0
210.12169	5.2
211.13374	7.8
212.13895	0.6
221.06676	2.3
223.13376	1.6
225.11293	6.2
227.12866	15.6
235.08206	5.6
243.12267	0.7
247.20665	1.3
253.09236	1.6
261.45309	0.6
263.20065	1.9
265.18011	0.8
273.18634	1.2
287.07727	1.8
291.19662	24.5
292.20053	1.7
293.21234	14.3
294.21695	1.2
305.08688	2.1
306.07504	0.8
309.20697	77.5
310.21063	5.1
323.09848	1.7
325.20123	2.9
325.57111	0.5
333.20682	1.3
379.12497	3.2
397.13489	44.6
398.13855	2.9
411.63760	0.7
415.14551	17.1
416.15128	0.9
480.44370	0.6
501.32007	0.6
589.25244	0.7
607.25903	2.6
648.54559	0.8
689.34027	1.3
707.35229	1.5
899.45074	1.1
917.46747	1.6
930.88452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	6.8
71.01378	22.4
72.99290	9.6
73.18895	6.7
78.95893	73.4
89.02431	16.9
96.96968	24.1
98.19754	14.3
101.02419	9.4
113.02487	9.4
116.92799	7.8
130.06190	6.6
130.56688	6.7
130.75844	9.2
134.23167	7.4
152.99583	14.8
195.13918	16.3
199.13618	8.5
205.12247	13.3
223.13374	100.0
229.21277	9.4
241.01253	38.3
255.23273	8.4
277.21667	52.2
291.19690	14.4
300.37784	9.3
345.65781	7.9
397.13672	51.4
621.28387	9.6
745.31396	11.4
813.38214	32.8
831.39551	28.4
879.78894	8.8
881.49335	11.5
917.47119	66.4
918.47913	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	916.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44199	19.6
71.01376	57.0
78.95889	34.1
79.71935	18.7
79.95722	22.0
87.16822	20.2
89.02448	36.5
90.54073	21.7
90.83936	20.7
90.86400	18.9
96.95998	100.0
98.20648	53.5
101.02425	27.0
116.55289	23.3
130.63025	20.0
152.65196	19.5
171.10239	21.5
183.13864	73.7
192.65964	19.7
207.10300	21.3
209.11761	42.2
224.13768	22.1
250.14780	20.2
291.19611	80.2
293.21094	22.3
397.13208	37.3
831.39838	34.6
899.46417	23.4
916.46790	38.9
917.47089	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	12.0
71.01402	42.8
73.02924	12.3
77.04726	7.9
83.05000	8.2
85.02924	13.1
87.00886	12.4
89.02423	40.6
95.01395	9.5
96.96008	28.3
97.02970	12.7
97.53631	9.6
101.02431	27.4
109.06593	14.6
113.02392	21.6
116.92861	17.4
125.02409	13.4
125.09721	9.2
128.03496	9.7
137.02400	10.5
147.98636	8.6
156.14111	9.2
165.12888	10.2
167.35112	8.9
171.10242	26.3
181.12297	13.4
197.11833	9.4
199.13380	21.6
201.11270	27.2
207.10217	31.8
209.11758	63.3
210.12105	14.9
211.13329	14.1
223.13374	12.1
225.11246	60.5
227.12880	27.0
291.19617	25.0
293.21155	72.5
294.21799	9.8
307.19217	11.2
309.20648	40.8
327.21527	9.8
397.13470	49.6
415.14417	19.4
456.08524	9.2
459.18826	10.3
524.14020	9.1
899.45740	30.3
916.46771	36.6
917.47461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75263	40.1
65.10597	40.9
69.92177	42.8
71.01382	89.8
73.83639	44.5
78.91902	100.0
78.95918	55.8
96.96018	51.7
116.92838	51.3
129.34320	41.9
229.83429	43.4
232.10550	50.7
487.69113	48.9
916.48822	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99245	6.6
71.01389	33.3
71.50068	6.2
78.95895	19.8
87.00871	8.7
89.02439	24.9
95.54153	5.4
101.02429	18.5
107.94102	6.4
111.07906	5.7
113.02431	7.4
119.03471	7.6
168.49033	5.7
187.33838	5.7
205.12268	10.1
207.10204	11.4
223.13373	100.0
255.23193	17.0
256.23703	5.8
277.21759	51.5
284.23434	5.6
310.13208	5.6
379.12491	9.4
397.13507	67.2
415.14374	11.2
419.86926	6.0
469.27597	6.4
603.26324	17.6
621.27490	24.9
680.51208	6.3
795.37384	6.8
863.48199	6.6
881.49158	14.8
917.46948	63.9
918.46783	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	915.473
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99268	4.0
69.84868	4.2
70.89556	4.2
71.01386	27.9
71.49634	6.5
72.99300	51.8
75.00861	5.9
77.46156	4.4
78.95886	9.3
81.60426	3.9
85.02941	5.5
87.00866	4.8
88.98805	100.0
89.02438	34.7
89.99132	7.6
90.80980	3.6
91.00351	5.3
97.02923	5.8
101.02433	17.9
109.06581	10.1
113.02431	12.0
125.02438	10.9
133.67192	4.1
161.04652	7.0
171.10266	14.6
179.05550	7.3
181.08713	5.5
199.09807	26.0
199.11301	5.3
201.11232	12.8
207.10274	28.2
225.11316	28.7
235.08125	12.6
255.23305	64.3
256.23422	6.3
277.21710	4.8
278.22061	5.4
293.20996	5.9
309.13904	4.1
379.12332	9.3
397.13437	52.4
415.14438	14.9
433.10458	3.8
571.23956	5.1
605.24573	6.7
653.37195	17.1
691.15448	4.6
698.55945	4.6
835.46912	93.6
836.46722	15.9
861.48566	46.8
862.48682	12.8
879.48773	4.6
915.47284	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99250	18.8
67.66654	14.6
71.01384	15.2
78.91870	41.1
78.95912	20.7
89.02475	21.0
94.98100	28.0
96.96026	100.0
120.63060	13.8
137.42082	16.0
171.10291	25.4
182.25513	12.4
197.20374	15.6
201.11345	30.4
225.11238	21.2
229.34341	13.6
236.37567	16.5
255.23236	26.8
325.18283	16.5
397.13373	42.2
477.59866	13.9
664.77606	18.4
831.35492	15.8
859.97870	17.0
916.48309	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	916.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	58.0
78.95900	77.5
83.67049	22.0
89.02431	42.3
96.96009	86.5
125.02412	23.7
142.74963	22.7
171.10257	43.1
207.10141	37.7
209.11932	30.6
223.13327	45.4
255.23405	44.2
277.21786	35.3
350.08661	22.8
397.13483	100.0
409.91583	23.0
467.69910	24.1
507.06140	25.4
537.99835	30.5
710.72766	25.7
820.58990	25.8
917.48901	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	5.5
70.69360	1.6
70.69707	4.4
71.01378	23.5
71.05030	1.4
72.99299	3.6
73.02937	3.8
83.01380	3.7
83.05033	4.4
85.02948	4.5
87.00874	9.3
88.98817	1.3
89.02454	14.6
95.01321	1.5
96.95982	2.1
97.02943	4.5
99.00878	2.6
101.02439	13.7
104.15995	1.6
113.02431	7.4
115.00422	2.0
116.92861	2.6
119.03486	2.4
120.63728	1.4
125.02425	6.8
125.09766	3.1
143.03462	2.7
148.71671	1.7
151.04031	2.0
151.11301	1.6
153.12823	1.7
159.02856	1.6
161.04634	1.7
161.09714	2.6
163.11299	2.9
165.12840	2.3
171.10223	2.9
175.02519	2.9
179.05594	2.0
179.10757	3.9
183.13895	2.2
195.13905	5.5
197.11826	52.4
198.12180	2.5
199.13342	1.6
207.10211	1.9
209.11813	35.0
210.12105	2.7
211.13382	18.2
212.13533	1.6
221.06644	3.6
223.09726	2.5
223.13379	4.0
225.11333	5.7
227.12831	6.9
235.08150	4.0
241.10783	3.7
241.14432	6.9
245.19025	1.9
251.12846	2.8
253.09219	5.2
253.14479	2.1
275.20087	3.3
289.07034	2.0
289.18179	11.1
291.19681	4.9
293.21219	24.2
307.19159	15.6
309.20764	3.5
371.62357	1.5
397.13504	14.7
415.14621	5.1
753.43665	4.2
813.05988	1.8
897.45483	2.0
915.45911	100.0
916.46320	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	914.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	6.9
71.01381	30.9
71.19201	4.2
72.01711	3.1
72.99326	3.1
73.02926	6.2
75.00909	2.8
83.01419	3.2
85.02955	10.7
87.00889	7.2
89.02443	21.9
96.96011	4.1
97.02946	8.0
101.02448	23.2
102.02796	2.8
106.54163	2.7
109.06658	2.6
111.08154	9.1
113.02451	10.1
119.03519	7.0
125.02466	5.4
125.09655	3.2
142.63365	3.3
143.03461	3.3
150.03224	2.8
159.52559	2.8
161.04523	5.2
165.12845	5.5
167.10783	4.8
171.10286	9.2
177.12897	3.1
179.05623	8.0
179.14426	3.9
181.12285	3.1
183.13821	2.8
193.12411	4.3
194.93539	2.8
195.13852	9.8
196.14255	3.1
197.11813	30.5
198.12111	10.1
205.12308	7.4
207.82806	2.6
209.11789	5.2
211.13420	11.0
212.13683	3.5
223.13387	77.6
224.13705	28.7
225.11497	3.8
235.08235	8.9
236.08400	4.1
247.20613	2.7
253.09348	6.5
291.19693	31.1
292.20068	16.6
293.21271	6.0
294.21515	5.0
309.20688	100.0
310.21051	58.0
311.21652	3.3
327.21713	5.2
379.13184	3.4
380.12677	3.5
397.13474	53.0
398.13785	20.7
415.14609	15.3
416.14929	9.4
501.81207	2.7
529.16125	3.0
621.27728	6.4
622.27789	10.9
671.31342	3.1
708.35944	3.3
803.99615	3.2
876.60272	3.1
914.48254	6.6
915.45624	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	914.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01412	12.7
72.99312	100.0
75.00891	10.8
78.91895	10.4
88.98797	88.4
89.02446	17.3
89.99138	11.4
90.99256	9.0
91.00365	10.3
96.17452	8.0
97.02914	9.6
131.52910	9.0
201.11241	14.2
205.75589	8.6
207.10310	10.5
209.11719	11.5
229.30597	10.1
238.01682	7.9
255.23303	24.4
277.21704	15.4
293.21234	25.7
358.30402	8.2
397.13367	29.5
833.83356	9.3
840.78955	10.7
915.46918	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	913.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99589	3.1
71.01397	4.9
72.99313	2.7
75.00867	100.0
78.91883	4.9
85.02979	1.8
89.02429	4.0
97.06559	3.4
101.02441	3.3
112.98561	4.1
113.02445	4.2
125.09743	2.6
128.50214	1.5
165.12758	2.0
171.10220	6.3
193.12283	3.9
195.13885	3.6
197.11803	3.2
209.11824	3.7
211.13361	4.0
223.13425	3.6
225.12883	2.0
225.14845	8.3
235.08330	2.3
237.14861	1.7
239.16606	2.4
242.11577	1.8
243.15924	4.1
253.09186	20.4
255.23286	4.5
273.37134	1.9
275.19833	2.7
277.21686	4.8
289.07169	2.3
291.19711	5.5
293.21222	47.0
294.21579	3.8
307.18979	2.3
309.20880	9.6
341.23288	50.5
342.23627	3.3
397.13394	5.9
538.41858	2.1
568.19678	2.3
577.32172	5.8
617.44122	3.8
673.06915	2.4
746.00232	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	913.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90400	4.8
71.01398	25.7
72.99312	7.4
73.02933	5.1
75.00871	8.4
83.01376	6.2
83.05015	4.9
85.02950	15.8
88.98797	5.8
89.02460	15.6
96.96030	15.7
97.02960	4.6
97.06561	7.6
101.02454	16.5
102.52531	5.4
111.08144	5.1
113.02502	7.8
125.02479	11.0
125.09702	5.8
137.09686	6.5
141.01714	11.5
143.03517	4.8
161.04562	13.2
163.11359	6.4
164.23195	4.3
165.12822	4.9
171.10266	39.8
179.05498	5.1
183.02045	4.4
185.11765	5.2
191.14366	8.7
197.11780	12.6
198.55370	5.2
207.10219	6.4
209.11819	20.4
211.13411	21.7
221.11775	14.9
223.13377	11.5
229.14388	9.1
235.08247	20.2
239.12865	9.4
245.19087	10.2
253.09325	40.9
255.23283	8.2
277.21622	6.6
289.18094	58.1
291.19769	23.0
293.21182	24.0
307.19122	64.0
309.20721	37.8
325.20215	21.2
327.21735	100.0
328.22147	8.5
360.22125	5.1
391.82114	4.7
394.77396	5.2
397.13425	13.7
415.14478	7.3
523.93262	5.0
543.28302	9.4
563.29895	6.4
617.41003	6.2
853.48969	9.0
913.46625	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	913.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04034	1.4
69.03453	5.8
69.87617	1.3
71.01379	43.3
72.99311	3.6
73.02950	6.6
73.82133	1.2
75.00873	8.2
77.75509	1.2
81.03465	3.4
83.01389	4.8
83.05040	6.3
85.02953	13.3
85.06596	1.4
87.00873	7.6
88.01603	1.2
89.02447	28.7
93.03477	2.0
95.01387	2.8
95.05022	4.4
97.02934	6.6
97.06606	2.9
99.00894	2.3
99.04478	1.8
101.02450	28.8
106.04266	1.6
109.06595	3.3
110.03746	2.4
111.00880	1.5
111.08148	8.4
113.02431	15.9
113.06011	1.5
119.03513	6.8
123.08174	1.8
125.02459	8.7
130.94279	1.5
143.03461	5.9
149.09784	1.7
155.57317	1.4
161.04547	6.7
163.87761	1.3
167.10800	6.6
171.10233	2.6
177.12877	9.1
179.05594	8.6
179.10764	3.4
179.14417	3.5
181.99382	1.3
195.13889	24.6
197.11830	3.6
203.10704	2.8
205.12379	8.7
205.14020	1.5
208.35654	1.4
209.12000	1.7
211.13412	6.9
221.06671	4.1
221.11813	44.7
222.12198	2.6
223.13387	67.9
224.13699	4.5
235.08150	9.8
239.12881	81.2
240.13252	5.2
247.20660	2.0
253.09215	4.5
255.23236	1.3
275.20074	5.5
291.19650	72.9
292.19980	7.8
293.21228	100.0
293.39914	1.5
294.21469	7.2
305.08740	1.4
309.20770	3.2
323.10025	1.6
379.12354	3.5
397.13458	48.5
398.13638	4.5
415.14581	20.5
416.14703	1.8
497.32852	1.7
509.35544	1.5
619.26147	4.6
637.27002	8.1
774.39984	1.5
913.47754	8.7
914.48047	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	913.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53439	0.6
69.03433	5.0
71.01376	23.9
71.05006	0.7
71.84158	0.6
72.99301	2.5
73.02947	3.7
75.00867	1.1
77.92358	0.8
81.03432	1.1
83.01382	2.8
83.05017	1.5
85.02937	5.1
87.00884	4.5
88.98824	0.7
89.02439	17.0
95.01403	2.0
95.05058	0.8
96.96015	0.7
97.02944	7.1
97.06564	0.7
99.00880	1.0
101.02437	14.2
106.47709	0.6
109.02959	0.7
109.06586	1.8
110.98569	0.7
111.04546	0.9
111.08158	6.0
113.02439	7.5
115.00380	1.0
119.03487	5.1
125.02435	7.1
125.09771	1.4
127.07636	0.8
131.03473	1.0
135.02936	1.3
135.18683	0.7
137.09641	1.1
142.99803	0.7
143.03485	3.1
149.09688	1.1
153.12863	1.0
161.04510	4.1
163.11290	1.2
165.12837	3.1
167.03372	0.6
167.10742	3.0
169.12355	1.8
171.10255	4.8
175.02431	1.4
177.12782	1.1
179.05583	5.6
179.10782	1.2
179.14444	3.2
181.12309	1.2
183.13852	1.7
193.12370	1.9
195.13887	11.2
197.11827	26.2
198.12077	1.2
199.13335	1.8
205.12305	8.3
207.10332	0.9
209.11862	2.4
211.13367	6.6
217.07013	1.0
221.06635	2.0
221.11760	1.8
223.13377	74.7
224.13713	4.8
227.12897	2.3
235.08208	6.1
239.12752	1.3
247.20612	2.3
253.09238	1.6
263.20132	1.9
265.17944	0.8
273.18588	2.3
277.21802	0.9
287.07703	1.5
291.19656	25.0
292.20038	2.4
293.21146	2.9
305.08701	1.3
309.20694	100.0
310.21078	9.1
323.09839	1.7
327.21603	1.0
379.12289	3.7
397.13483	41.8
398.13943	2.9
415.14529	16.1
416.14798	1.5
515.33722	2.0
569.62354	0.8
595.78149	0.8
603.26257	3.7
621.27704	10.2
622.28302	1.8
689.33905	2.7
707.35315	2.6
708.36383	0.9
913.47833	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	911.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49536	0.4
72.99310	3.5
75.00871	1.9
87.00878	2.7
88.00411	2.3
88.98806	100.0
89.02441	20.2
89.03008	0.7
89.99130	0.8
103.00365	1.6
105.01934	38.9
118.08247	0.4
162.15230	0.5
176.22585	0.4
215.98219	0.4
230.53912	0.4
253.09157	0.5
291.19724	1.9
293.21155	2.0
379.03137	0.4
814.30743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.534
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04842	27.2
71.01389	14.9
72.48750	8.4
72.99322	16.6
75.00877	8.1
79.94360	10.3
80.96506	15.6
87.00909	9.0
88.98809	51.6
89.02427	20.4
95.14069	9.5
105.01933	100.0
106.02346	10.6
117.73508	9.0
125.40831	8.0
162.19281	8.5
180.47084	8.7
255.23282	26.1
277.21738	24.9
397.13135	18.4
802.86646	10.4
913.49463	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	913.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23411	0.5
66.17803	0.5
66.60489	0.6
69.03446	4.6
71.01379	24.2
71.05016	1.4
72.99302	2.1
73.02940	3.8
75.00853	0.9
81.03461	0.9
82.52254	0.6
83.01397	2.8
83.05009	1.2
85.02952	5.4
86.26451	0.6
87.00867	5.5
89.02442	20.1
95.01402	2.4
95.05001	1.2
97.02955	7.3
97.06608	1.3
99.00870	1.4
101.02443	16.9
109.06606	0.9
111.08150	5.6
113.02446	10.4
119.03481	5.2
123.04502	0.9
123.08148	0.9
124.01663	0.6
125.02445	7.0
125.09701	1.3
131.03503	1.2
135.03064	0.8
135.11871	1.0
137.09706	1.5
139.04002	0.8
141.01994	0.6
141.09187	0.8
143.03482	3.7
149.09807	0.7
151.11304	0.7
153.09267	0.8
153.12836	0.8
161.04549	4.5
163.11252	1.8
165.12846	2.6
167.10768	3.9
169.05037	0.7
169.12299	2.1
171.10263	3.6
177.12854	1.0
179.05632	6.0
179.10757	1.7
179.14420	5.2
181.12318	1.2
183.13850	1.1
193.15868	0.7
195.13910	13.2
195.85727	0.7
197.11823	32.5
198.12186	1.8
199.13333	2.0
205.12303	9.3
209.11821	2.3
211.13374	5.9
217.07005	0.7
221.06642	3.1
223.13380	93.5
224.13724	6.3
227.12856	2.1
235.08174	6.2
239.12889	1.0
247.20718	1.9
253.09303	2.2
263.07794	0.8
263.20197	1.7
265.18088	1.2
273.18549	1.2
287.07843	1.3
289.17899	0.6
291.19656	30.9
292.19995	2.5
293.21109	1.6
305.08804	1.7
309.20697	100.0
310.21002	9.6
323.09961	1.4
327.21732	1.7
379.12442	4.4
397.13486	48.0
398.13849	3.9
415.14587	16.4
416.14850	1.1
483.14368	0.7
515.33496	0.9
595.26221	0.7
603.26654	4.7
604.26563	0.8
621.27496	11.2
622.27460	1.0
689.33789	2.4
707.35034	3.6
708.35437	0.7
913.48248	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	909.483
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20957	0.5
68.08123	0.6
71.01389	0.6
71.49716	0.8
74.14735	0.6
84.00924	1.4
84.95122	1.3
87.00871	2.0
88.00395	2.8
88.98807	100.0
89.02441	17.5
89.99127	1.2
95.03770	0.4
96.96064	0.5
101.02438	0.5
113.49596	0.5
116.92884	0.7
118.07572	0.5
209.11784	1.0
253.09160	1.1
255.23344	1.6
277.21567	0.6
286.49652	0.6
289.18161	0.7
293.21286	1.9
298.26486	0.5
337.23798	1.2
397.13196	0.6
452.20206	0.5
572.63855	0.7
909.51111	1.0
910.50446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67789	0.8
72.99313	0.7
75.00910	0.6
75.68945	0.3
83.94905	0.3
87.00864	2.7
88.00401	3.9
88.98804	100.0
89.02441	18.3
89.03009	0.6
89.99141	0.8
98.84001	0.3
105.01933	1.1
111.08167	0.4
139.31622	0.3
143.14290	0.3
167.03548	0.3
167.10957	0.3
173.04482	0.4
182.31024	0.3
190.72652	0.3
199.58391	0.3
209.11739	0.4
243.90164	0.4
253.09268	0.4
272.64447	0.3
272.80371	0.4
289.18124	1.9
293.21240	2.3
294.21634	0.5
307.19199	0.3
309.20840	0.4
336.65155	0.4
601.54492	0.3
693.10901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	3.2
71.01006	1.3
71.01382	18.5
71.05006	2.2
71.50223	0.8
72.99303	1.4
73.02939	2.7
75.00883	0.8
80.02703	0.8
81.03453	1.9
83.01392	1.9
83.05013	0.6
85.02953	4.1
87.00876	4.4
88.98810	3.0
89.02448	14.4
89.55990	0.7
95.01366	1.9
95.05025	1.8
97.02928	1.9
99.00877	1.4
101.02444	11.8
102.34673	0.7
105.01916	1.1
106.04180	0.8
107.97628	0.6
109.02929	1.1
109.06599	8.7
111.04521	3.1
113.02447	9.0
119.03516	4.2
123.04465	0.7
123.08170	1.8
125.02435	4.4
127.07580	1.4
131.03445	1.0
137.02466	0.8
141.01843	0.7
143.03479	2.4
143.10779	1.7
145.06566	1.5
149.09720	1.5
150.03177	0.8
161.04521	2.6
167.10735	4.1
179.05626	5.5
179.10757	2.0
179.14374	2.6
195.13895	10.2
205.12328	8.0
221.06676	2.0
223.13390	72.1
224.13719	4.2
233.15536	1.0
235.08217	3.8
235.13351	1.3
237.15060	0.9
245.19102	4.7
249.14717	0.8
253.09206	1.6
271.17023	1.4
273.14856	0.7
275.16562	0.8
287.07697	0.7
287.16574	2.3
289.18091	100.0
290.18491	8.1
293.14035	0.7
293.21222	1.3
305.08643	1.7
307.19138	6.2
323.09921	1.3
379.12402	4.2
397.13516	36.1
398.13779	3.4
415.14505	9.7
416.14960	1.1
513.32324	1.0
603.26770	3.6
621.27631	6.6
623.33801	1.2
669.31281	1.4
687.32379	3.0
783.37677	0.9
835.41278	1.6
864.23883	0.8
875.44678	0.9
893.45813	1.9
894.46393	1.0
911.47156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.0
69.37055	2.8
69.37457	1.1
70.65946	0.5
71.01389	1.3
73.02966	0.7
73.05074	0.6
80.02652	0.6
81.03474	2.6
83.01395	5.2
85.02947	0.9
89.02470	0.7
91.76595	0.5
93.03462	12.9
95.01375	0.9
95.05030	4.0
97.02938	7.9
99.00861	3.0
101.02429	1.7
107.05021	1.0
108.02203	1.5
109.02956	28.6
113.02424	1.3
121.02954	10.6
122.03728	0.9
123.04527	18.3
125.02450	18.4
133.02950	1.0
135.04552	3.0
135.08249	0.8
137.02443	23.7
137.06042	0.6
138.03053	0.8
139.04019	4.8
145.02953	1.8
146.03723	2.3
149.02429	6.6
150.03136	1.1
151.04012	10.5
155.20396	0.5
158.03688	0.6
159.04517	3.0
160.05252	1.7
161.02438	1.4
161.06078	7.2
162.03273	2.7
163.04012	1.1
164.01158	3.6
165.01961	4.5
166.02632	0.7
167.03445	2.7
173.05965	0.9
174.03220	0.8
175.04018	3.2
175.07608	2.6
177.05528	1.3
179.03496	7.8
179.07153	2.0
180.04060	0.7
185.06009	1.1
187.04004	6.2
188.04802	5.4
191.05640	0.6
191.07152	1.4
197.06104	1.6
199.07660	1.6
201.05556	1.3
202.06325	2.0
203.03468	0.8
203.07138	19.8
204.07504	1.2
205.05040	14.2
206.05348	1.0
212.04726	0.9
217.08546	0.9
219.06621	1.2
221.08197	3.7
227.07146	19.8
228.07460	1.1
229.05087	0.7
230.05861	1.7
231.02954	0.8
233.08176	1.1
235.09637	1.1
245.08191	22.9
246.08598	1.4
247.06131	2.3
257.11816	0.6
271.06091	1.2
281.06680	1.8
289.07187	100.0
290.07504	7.1
299.12863	3.3
323.19507	0.5
343.11902	13.5
343.15533	0.8
344.12146	1.4
369.13367	1.5
387.14490	80.0
388.14951	7.9
395.09677	0.9
413.10880	17.2
414.11008	1.6
435.93295	0.6
521.16656	17.1
522.16870	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	905.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	62.0
71.49982	19.0
71.50338	10.1
78.95918	43.8
82.95419	21.3
85.02917	12.7
85.69308	10.4
87.00848	10.4
89.02441	22.6
97.02961	12.1
101.02425	29.7
109.06567	18.0
111.08173	11.7
113.02456	16.9
113.06107	14.5
116.92879	17.2
125.02469	15.6
127.74150	11.0
148.26659	11.6
152.99561	14.2
163.40868	11.4
169.41946	10.2
171.10289	79.8
179.05664	12.9
188.81560	10.4
197.11803	48.1
199.09804	61.4
201.11328	38.7
207.10295	66.0
209.11830	46.1
211.13220	11.6
225.11269	67.9
227.12881	15.9
235.08257	19.6
253.09270	53.5
281.24884	67.2
291.19760	36.2
293.21378	35.4
309.20660	100.0
379.24020	10.8
397.13516	51.2
415.13846	12.7
456.18860	13.3
649.02960	14.7
727.38513	18.5
753.40576	16.4
905.49469	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	1.0
69.03444	1.8
70.04657	2.2
71.01377	2.7
81.03445	3.8
83.01382	1.9
85.02953	2.1
91.01863	0.9
93.03458	0.9
95.01376	2.8
97.02963	2.8
101.02459	1.7
107.01405	2.6
108.02172	40.8
109.02954	27.6
110.03304	1.1
111.00904	1.4
113.02467	0.8
121.02964	1.8
123.00861	4.7
123.04510	7.0
124.01626	1.5
125.02443	65.2
126.02766	2.6
135.00832	0.8
137.02452	8.1
139.00388	0.7
139.03970	1.0
140.01132	0.7
145.02934	3.0
146.03656	1.0
147.03008	0.7
149.02434	2.5
150.03101	0.7
151.00401	1.9
151.04022	5.4
152.01151	50.4
153.01939	22.1
159.04500	1.5
161.02469	1.8
161.06093	1.7
163.03957	1.8
164.01201	1.2
165.01958	2.3
166.02711	0.9
166.99927	0.9
167.03496	10.4
168.00623	1.7
168.03809	0.7
169.01414	92.4
170.01738	2.9
175.04056	1.3
175.07591	0.8
179.03479	2.5
185.06068	1.4
187.04062	1.8
188.04707	1.3
193.01363	3.1
195.02834	0.7
202.02234	0.8
203.07132	4.6
205.01353	0.6
205.05000	2.8
221.08185	0.8
227.07159	0.9
231.05107	0.9
245.08154	7.5
253.05031	1.0
259.06039	1.0
271.06046	5.4
285.03983	0.6
289.07184	36.9
290.07513	3.0
296.05569	1.3
297.06143	4.3
298.64835	0.7
303.05124	2.5
311.07721	2.8
315.07150	2.7
331.04553	1.9
382.64188	0.7
421.11298	1.6
433.07666	1.8
441.08228	47.2
442.08456	5.5
465.10336	100.0
466.10593	11.0
542.24310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93428	0.6
71.01392	0.9
71.51704	0.7
78.95898	0.7
81.28008	0.6
96.96004	1.1
96.96981	0.5
102.05569	0.9
111.08218	0.9
116.92901	0.5
125.02467	2.7
128.03543	0.9
131.04636	1.0
132.03047	0.7
146.04605	1.7
161.02504	0.6
163.11278	0.6
165.12842	22.7
166.13208	1.7
171.10335	0.8
183.13898	98.5
184.14215	6.5
209.11790	7.1
211.13380	1.2
225.11337	0.8
227.12881	100.0
228.13200	5.9
289.07022	1.0
655.33124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66616	51.2
98.20776	100.0
277.66092	46.0
392.40350	48.2
659.97900	56.2
692.91553	51.6
767.57001	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99241	65.6
70.68358	84.2
71.01385	62.0
78.95908	44.9
79.95750	40.4
88.08263	29.0
88.95262	30.9
95.43690	30.7
95.75311	30.4
108.60011	37.1
109.08152	26.6
114.39414	30.6
116.92849	95.5
125.02420	42.1
152.99567	37.4
161.04605	33.3
209.11813	36.2
289.18237	55.9
295.22864	43.8
309.20764	31.6
312.22803	33.1
431.90817	32.7
740.59918	38.6
904.48071	100.0
905.49261	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	1.2
66.15639	0.5
69.03456	0.7
71.51455	0.9
76.88530	0.5
80.05377	0.5
81.03442	0.8
83.01382	2.2
93.03480	0.8
95.01382	1.2
97.02951	1.8
107.01389	3.5
108.02215	0.7
109.02953	6.0
121.02952	1.9
123.00880	1.7
123.04552	3.0
124.01617	0.7
125.02445	50.2
126.02805	1.2
135.00839	0.7
135.04527	0.9
137.02477	5.1
139.00392	0.6
139.04002	0.6
140.01158	0.7
145.02940	2.1
148.01768	0.7
149.02415	1.9
150.03143	0.6
151.00356	8.3
151.04025	3.5
159.04504	1.4
159.78764	0.6
160.05234	0.5
161.02350	0.9
161.06073	2.0
163.00356	1.9
163.04018	0.6
164.01216	0.9
165.01935	2.1
166.99817	1.0
167.03532	0.7
168.00548	0.9
169.01419	70.0
170.01752	1.6
173.06076	0.6
175.04007	0.7
178.99915	4.0
179.03496	1.7
183.04477	0.7
185.06168	1.0
187.04045	1.8
188.04619	0.7
193.01399	3.1
199.03976	1.3
201.05574	0.9
203.07108	3.0
205.05066	2.1
211.03986	0.7
226.02721	0.5
227.03558	2.9
227.07018	0.8
229.04947	0.5
238.36740	0.6
243.02962	7.0
245.04486	1.2
245.08200	5.6
253.05150	0.7
254.02187	1.1
255.02992	16.0
256.03357	0.8
259.06122	0.6
271.02487	32.6
271.06015	4.1
272.03027	2.7
273.04050	0.7
283.02441	1.0
285.03992	0.7
289.07181	27.1
290.07529	2.2
293.04471	0.7
299.01883	1.0
300.02753	66.4
301.03467	33.2
302.03915	1.9
303.05096	1.8
311.05463	0.5
331.04556	1.1
441.08237	35.1
442.08664	3.7
449.11035	0.7
451.12213	1.3
452.12524	1.1
463.08804	100.0
464.08981	7.8
480.11597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96230	2.6
68.99560	3.5
69.03467	1.2
71.01379	22.4
71.05013	1.2
72.99300	2.3
73.02925	3.3
74.06969	1.0
78.95919	1.2
79.95732	11.8
80.96529	1.7
83.01388	2.3
83.05013	1.8
85.02943	4.3
87.00880	5.4
89.02444	17.4
95.01372	1.4
96.95999	9.5
97.02948	4.3
99.00884	1.7
99.92588	2.4
101.02454	12.8
101.69541	1.0
111.00916	1.5
111.08179	2.5
112.98571	1.5
113.02451	8.0
113.09724	1.2
114.93378	2.3
116.92860	19.5
119.03479	3.7
120.59849	1.0
125.02427	5.1
125.09825	1.0
130.89679	1.0
137.02443	1.1
139.03995	1.1
143.03505	1.7
149.04730	1.0
161.04498	2.6
163.11282	1.0
165.12846	8.3
169.12325	1.3
179.05579	2.7
183.13895	58.4
184.14189	3.5
195.13905	6.5
197.11795	4.2
199.13351	1.9
207.10315	2.3
209.11812	14.5
210.12115	1.3
211.13379	16.2
221.06696	2.0
223.13306	3.7
225.11406	1.2
227.12877	10.6
229.58023	1.1
235.08195	3.1
253.09209	2.3
275.20105	2.3
291.19638	4.3
293.21237	38.0
294.21573	1.9
295.22772	2.6
309.20731	11.1
310.21115	1.3
321.13351	1.1
397.13477	18.5
398.13605	2.0
415.14658	4.8
607.25537	1.9
625.27094	2.5
901.47821	100.0
902.48236	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	900.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90173	70.9
75.00862	100.0
78.95918	68.3
95.97460	63.9
98.20693	95.7
112.11028	63.4
116.92877	92.3
121.23528	64.4
152.99590	63.8
162.19328	58.0
188.20990	69.0
199.51909	68.5
201.75490	66.9
210.22508	59.8
229.13611	83.7
249.19072	72.1
304.38708	77.9
417.23801	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99567	6.9
69.03464	0.9
70.69157	1.0
71.01385	15.5
72.99306	1.3
73.02934	2.4
80.02689	0.9
81.03463	2.2
83.01373	1.1
83.05026	5.9
84.02154	0.8
85.02946	3.1
87.00883	3.3
89.02446	13.5
93.03482	0.5
95.01398	1.2
95.05038	0.8
96.96006	3.1
97.02959	2.6
97.06588	0.6
99.00855	1.1
101.02435	11.0
109.02961	0.5
109.06627	0.6
111.04545	0.6
111.08162	1.2
112.98573	5.5
113.02454	6.5
113.92343	0.4
116.92857	2.4
119.03510	3.0
121.02954	0.5
121.43540	0.4
123.04513	0.5
125.02469	5.1
125.06086	0.6
125.09684	0.5
126.90445	0.6
128.03481	0.6
131.03477	1.0
139.04005	0.5
141.12961	0.5
143.03539	2.3
143.04538	0.4
149.04504	0.4
161.04526	2.7
163.11278	4.4
165.12822	1.9
169.12399	1.0
171.10268	2.0
179.05612	4.5
179.14496	0.7
181.12361	1.2
183.13797	0.8
185.11787	0.6
191.10797	1.5
193.12257	0.6
195.13921	6.2
196.14400	0.7
197.11829	1.0
199.13371	1.6
205.12418	0.6
209.11818	89.6
210.12149	5.6
211.13412	6.7
221.06664	1.6
223.13385	5.4
224.13930	0.6
225.11327	0.7
227.12885	13.0
228.13345	1.2
235.08273	4.6
253.09322	1.6
256.13153	0.8
261.87863	0.4
275.20145	4.7
287.07751	1.4
291.19745	1.7
293.21222	100.0
294.21518	8.1
305.08817	1.9
309.20663	4.0
323.09863	0.9
341.23233	1.4
371.76791	0.5
379.12457	3.2
397.13489	36.5
398.13757	3.0
415.14542	13.0
416.15063	1.5
485.32373	0.8
589.24780	0.6
607.26447	1.9
673.33630	0.6
691.35968	1.8
901.46686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	12.4
80.96551	7.4
83.81014	5.0
89.02442	8.3
96.96027	7.3
97.06609	7.0
107.21119	5.2
134.46158	6.4
171.10254	23.1
187.54929	5.6
206.35971	6.3
211.13412	23.5
221.84950	6.7
223.13304	7.6
235.08150	11.3
253.09267	29.7
293.21252	100.0
294.21637	8.1
309.20737	13.8
327.21725	86.9
328.22208	12.4
397.13449	7.1
407.76761	6.0
589.09161	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	900.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19053	21.1
64.43359	21.1
66.01672	22.2
71.16917	21.6
72.99281	26.0
75.00862	33.0
78.91872	85.2
79.95750	22.6
86.74319	24.2
94.98086	100.0
98.19840	33.9
100.63750	20.8
108.82251	20.6
136.25237	20.4
198.22859	24.2
231.31839	21.2
239.15605	20.5
277.21970	22.3
323.37140	24.8
371.92365	20.5
608.15753	22.9
624.28522	26.3
659.74066	23.8
900.48639	29.5
901.47223	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01609	16.0
68.99572	43.8
71.49814	23.6
72.79340	15.5
106.82240	15.3
112.98573	32.8
116.92854	100.0
117.92855	20.0
122.32751	19.6
143.77086	16.7
236.20892	16.5
321.82962	21.7
407.09579	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	900.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	100.0
70.24451	77.6
70.24848	72.4
135.92560	38.7
231.26256	37.1
249.27971	35.0
302.67245	42.0
357.11118	34.1
771.43250	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98537	32.7
70.00649	95.7
70.28458	20.5
71.01382	38.6
78.95924	22.9
88.51170	18.6
89.02431	38.6
93.98608	21.3
101.02413	19.8
104.54382	22.3
111.51689	21.2
121.85012	19.9
123.65673	19.8
125.79041	20.7
160.44492	18.5
195.13866	29.1
197.11739	39.9
202.39844	20.1
211.13356	56.5
223.13338	56.4
232.20219	19.1
235.08107	21.5
253.09279	40.2
291.19446	68.8
292.19934	71.6
293.21027	87.5
294.21597	32.7
309.20615	100.0
310.21014	57.9
397.13406	54.9
398.14249	33.4
427.61493	22.8
696.86407	27.3
899.47345	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	898.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31119	35.6
74.54914	36.3
78.14442	41.1
78.95908	58.3
86.15147	38.9
88.98827	50.1
98.20672	82.9
127.75815	32.7
212.85556	36.1
229.27827	59.3
241.01231	52.2
255.23131	71.7
293.21133	45.9
294.21509	50.8
397.13565	38.1
458.20337	36.7
509.33469	38.6
805.77271	43.5
898.49292	100.0
899.47314	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	899.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42594	2.1
70.65074	2.1
71.01382	12.2
72.99294	4.1
73.19382	1.7
75.00873	29.7
78.91870	15.2
78.95892	5.7
87.00861	4.0
89.02436	14.0
92.57256	2.0
101.02431	11.7
113.02440	8.2
119.03466	6.4
125.02416	3.7
134.44400	2.1
161.04553	5.4
163.11275	4.0
179.05539	5.5
195.14049	2.2
209.11824	100.0
210.12122	3.8
211.13385	3.3
221.11755	2.4
227.12894	28.5
235.08138	7.2
253.09282	3.5
255.23271	45.9
259.03452	2.4
277.21603	6.6
279.23453	2.9
305.08823	3.0
311.22128	3.4
311.25397	2.3
327.21826	2.7
379.12531	16.7
397.08292	4.3
397.13467	70.9
398.13623	6.1
415.14468	13.5
496.34946	2.8
545.30212	2.7
589.24963	4.4
602.42706	2.1
607.25739	3.9
635.36218	4.1
653.37433	11.2
654.37653	2.7
736.58557	2.4
899.47894	39.7
900.47638	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	898.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98538	14.1
71.01375	31.7
96.96007	13.0
98.20651	41.1
101.02470	23.5
113.02462	22.4
114.96837	11.8
125.02396	15.2
187.37910	12.9
211.13225	20.8
223.13364	52.6
224.13840	17.9
229.07359	14.7
253.09216	30.7
293.21127	100.0
294.21576	20.3
309.20706	18.4
327.21631	24.8
397.13583	26.2
398.13831	19.2
500.15338	13.5
583.93579	15.1
592.41754	14.8
778.41626	14.4
899.45447	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	898.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98512	4.0
63.03689	2.7
71.01381	21.9
71.48028	3.2
73.02949	4.0
74.64690	4.0
85.02935	6.9
87.00844	7.0
89.02438	16.7
98.20393	20.9
101.02444	12.5
113.02417	6.0
114.05589	4.7
116.88811	3.2
119.03486	5.4
125.02431	4.4
125.09702	3.9
137.84259	3.0
140.07109	4.6
158.04552	12.7
167.10835	5.0
179.05606	4.4
190.08363	3.2
195.13898	14.2
196.14322	6.2
205.12390	4.9
223.11342	6.3
223.13393	76.5
224.13757	28.0
235.08189	8.1
276.20319	4.2
291.19559	3.6
293.21204	100.0
294.21533	56.6
397.13553	31.3
398.13721	10.0
415.14252	9.4
416.15027	6.5
524.13611	3.6
622.27856	8.6
627.15424	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	897.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.9
71.01369	4.6
85.02964	1.6
89.02442	3.4
97.02941	6.5
97.06583	1.3
101.02433	2.6
111.08154	4.0
113.02444	2.5
119.03516	1.3
123.00835	1.1
123.63175	0.9
125.09708	1.5
137.09698	1.8
161.04568	2.4
163.11320	2.3
165.12823	5.9
165.94029	1.0
167.73596	1.0
171.10338	6.3
175.62231	1.0
187.91348	1.0
187.93193	1.1
193.12267	1.5
197.11832	12.7
199.13376	1.3
209.11798	2.8
211.13379	4.6
223.13397	2.0
227.12863	4.0
235.08252	2.2
247.20724	4.5
247.96062	1.0
253.09268	17.2
273.18579	2.0
291.19650	41.6
292.20111	2.8
293.21298	2.2
309.20703	100.0
310.21021	9.9
527.28656	1.8
545.29626	4.5
601.41290	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	898.48
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99240	19.2
64.17307	14.7
66.26798	14.4
68.93770	15.1
69.89595	16.9
69.89976	100.0
69.90276	16.9
75.00866	52.0
98.20695	18.3
185.11688	17.0
211.13370	22.3
255.23143	19.7
293.21304	20.0
405.50339	17.5
672.91852	19.5
898.50494	55.7
899.48724	24.5
918.04517	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	898.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98522	9.2
71.01393	52.6
71.49847	10.5
72.01723	11.3
72.99316	33.7
75.00867	100.0
78.91908	42.4
78.95911	12.9
89.02428	22.1
98.23494	10.3
106.43935	8.3
113.02493	8.1
116.26294	8.1
171.10258	26.0
195.13858	9.6
207.10139	14.0
221.41896	9.2
235.08447	14.2
253.09148	12.2
255.23279	55.9
256.23615	24.9
256.78857	10.5
277.21524	9.8
290.08597	9.5
293.21310	10.2
309.20663	9.5
352.44238	9.6
397.13342	27.0
398.13828	16.8
526.45239	10.5
862.48743	15.9
898.50574	32.7
899.48859	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	898.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	41.5
62.99243	26.7
69.28239	26.9
71.01392	35.6
72.99339	24.9
75.00880	100.0
76.52592	26.9
76.76448	32.9
78.91876	72.3
78.95927	37.5
98.20748	56.7
101.02493	40.2
195.13730	32.1
207.10225	43.1
209.11755	33.0
293.21118	34.7
355.52853	28.4
660.39795	31.0
898.49542	63.8
899.46796	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98541	46.3
63.99252	26.8
71.01382	58.4
71.49955	38.6
75.00863	100.0
77.88017	25.5
78.95921	64.2
98.20454	31.5
111.61973	26.7
134.65857	31.2
144.49356	22.0
165.24402	33.6
207.10114	53.4
209.11800	34.6
236.70311	26.2
291.19693	33.9
293.21259	57.5
300.15097	25.1
397.13458	62.6
898.51135	28.0
899.46600	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.48
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98521	96.4
69.32061	49.7
71.01390	100.0
89.39664	52.6
96.23981	44.8
97.02794	45.6
154.44325	49.3
167.48705	52.5
194.66403	51.0
207.10437	54.6
293.21051	52.1
340.98221	53.8
663.15906	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92422	13.0
71.01381	43.1
81.03039	14.3
85.02959	15.1
89.02438	24.8
96.96011	31.1
101.02406	23.7
104.38600	17.7
125.02407	20.4
164.93915	14.9
164.95741	14.1
169.96228	13.5
171.10381	20.1
209.11824	34.6
211.13290	26.0
223.13376	28.0
225.11235	18.1
253.09149	37.9
291.19711	29.9
293.21152	100.0
294.21439	22.7
309.20673	38.7
323.09125	14.6
397.13553	39.2
609.41022	16.7
740.46448	15.2
746.72211	17.8
832.52307	22.5
833.53839	18.2
899.47083	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.4
71.01380	100.0
72.01730	1.4
72.99306	10.7
73.02946	4.5
74.79566	1.0
75.00873	4.5
78.95908	3.1
83.01398	3.2
85.02938	6.7
87.00879	7.5
88.98824	2.3
89.02448	20.7
95.01382	2.1
97.02949	6.6
98.19877	3.0
99.00888	4.0
101.02441	17.1
109.06599	6.4
110.92239	1.2
113.02448	10.2
116.92868	3.2
119.03515	4.7
125.02447	9.8
125.09693	2.7
127.11292	3.5
131.03520	1.6
137.02490	1.1
137.09718	1.5
139.03949	1.2
141.01811	1.5
143.03494	3.9
155.10759	2.9
161.04530	3.3
162.81590	1.1
163.11264	3.9
171.10262	50.6
172.10559	1.6
179.05617	4.1
181.12323	3.1
199.09737	13.5
199.13345	2.2
200.10172	1.4
201.11327	16.7
207.10246	22.3
208.10551	1.7
221.06630	2.0
225.11301	13.5
226.11539	1.5
229.19527	1.2
235.08110	8.0
241.01328	1.8
243.12454	1.3
245.06677	1.3
253.09238	2.6
255.23291	87.2
256.23676	7.1
269.24695	1.7
287.07645	1.8
323.09671	1.8
379.12277	5.5
397.13467	51.6
398.13800	3.8
415.14505	13.4
416.14996	1.6
433.77213	1.2
605.24457	2.7
623.25464	1.5
835.46680	3.8
861.48389	13.1
862.47986	5.8
879.49463	4.5
897.50629	24.2
898.50012	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	897.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98527	0.9
69.03455	1.7
71.01383	81.2
72.01727	0.9
72.99312	6.0
73.02946	3.2
75.00871	100.0
81.03476	1.4
83.01382	2.6
83.05010	0.8
85.02956	5.1
87.00881	4.9
89.02446	16.2
95.01387	1.1
97.02961	4.8
99.00882	1.6
101.02437	13.5
109.06615	3.9
111.04512	1.2
113.02459	8.6
117.72103	0.8
119.03494	5.5
124.39426	0.9
125.02452	6.5
125.09708	1.9
127.11258	2.2
140.85498	0.8
141.01990	1.1
143.03465	3.1
155.10718	1.2
161.04564	3.3
163.11259	2.4
171.10268	44.3
172.10605	1.6
179.05569	3.3
181.12256	1.4
195.13931	1.9
199.09761	7.9
199.13353	0.9
201.11348	9.6
203.10876	0.7
207.10239	11.7
215.12880	2.2
216.13188	0.9
221.06607	1.9
221.11778	3.5
223.13370	1.4
225.11299	9.4
235.08237	5.3
239.12849	1.6
243.12466	1.2
253.09232	2.8
255.23286	54.0
256.23724	4.4
277.21732	2.5
287.07791	2.2
291.19656	2.0
293.21188	4.3
305.08649	1.0
309.20737	3.3
323.09830	1.2
379.12491	5.6
397.13446	30.7
398.13760	3.0
415.14478	7.5
623.25458	1.4
835.46912	1.2
861.48364	7.0
862.48755	2.0
879.50354	1.7
897.50623	11.7
898.49908	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	897.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90780	1.3
69.03462	1.5
71.01382	86.1
72.99303	5.4
73.02927	3.2
75.00872	100.0
78.91883	1.1
83.01384	2.7
83.05076	1.2
85.02940	5.2
87.00898	6.2
89.02454	15.0
97.02938	5.5
99.00877	4.2
101.02454	11.1
109.06545	2.5
111.04572	1.2
113.02462	8.4
119.03502	4.8
125.02462	7.9
125.09744	1.6
127.11301	1.4
130.43024	1.2
143.03490	2.5
155.10649	1.2
161.04503	5.3
163.11238	3.5
171.10271	44.7
172.10617	1.6
179.05627	3.6
197.11752	4.3
199.09723	8.3
201.11299	8.5
207.10222	14.4
207.12006	2.0
209.11824	2.1
221.06593	1.9
221.11769	4.1
225.11293	8.9
235.08263	4.7
239.12976	2.1
243.12282	1.3
245.06754	1.2
253.09198	4.6
255.23297	59.7
256.23624	4.5
277.21652	3.4
289.18216	2.4
291.19641	4.5
293.21161	5.3
305.08643	1.5
309.20795	8.2
310.20947	1.4
311.21906	2.5
379.12399	6.3
397.13461	33.0
398.13742	4.0
415.14648	7.7
861.48218	8.2
862.49298	1.6
879.49921	2.2
897.50110	13.5
898.50000	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	897.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.5
71.01379	15.0
71.05029	0.4
72.99303	1.0
73.02949	2.1
74.28091	0.3
75.00871	0.3
81.03447	0.8
83.01381	1.9
85.02952	3.5
87.00871	3.0
89.02443	12.9
95.01387	1.1
97.02969	2.4
97.82607	0.4
98.19895	1.1
99.00874	1.0
101.01791	0.6
101.02442	9.2
109.02972	0.3
109.06583	0.4
111.00858	0.6
111.08150	0.6
113.02444	6.8
119.03489	3.0
125.02456	4.6
126.73429	0.3
131.03485	0.6
139.03967	0.5
139.09071	0.3
141.09218	0.4
143.03506	1.7
149.09752	0.6
157.62646	0.4
161.04539	2.8
161.13228	0.4
167.10765	2.8
177.12801	0.6
179.05629	4.3
179.10716	1.1
179.14401	2.9
189.27682	0.3
195.13892	14.0
196.14423	1.5
205.12314	7.8
206.12691	0.5
211.13417	0.5
217.07037	0.4
221.06638	1.7
223.13380	72.7
224.13776	4.2
225.14925	1.1
228.13640	0.4
231.21207	0.4
235.08226	3.6
253.09312	0.9
256.13132	1.1
265.21652	0.4
275.20123	5.0
287.07758	0.9
293.21216	100.0
294.21570	9.1
305.08838	1.1
323.09897	1.2
379.12561	2.4
397.13480	32.9
398.13837	2.8
415.14587	11.8
416.15091	0.7
488.53107	0.3
499.34335	0.7
603.26563	3.9
604.26727	0.5
621.27454	8.1
622.27667	1.5
673.34717	1.2
691.34827	2.2
741.52252	0.4
897.48993	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	897.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36793	0.3
68.99837	0.3
69.03438	3.1
71.01380	15.2
71.05015	0.7
72.99304	1.5
73.02946	2.6
81.03458	0.7
83.01387	1.5
83.05040	0.5
85.02952	4.3
85.06587	0.6
87.00865	3.6
89.02444	12.8
91.74590	0.3
93.03442	0.9
95.01382	1.2
97.02965	2.4
97.06596	0.4
99.00881	1.1
101.01787	0.6
101.02443	11.0
109.06572	0.5
111.00874	0.3
111.04500	0.3
111.08159	0.5
113.02444	6.4
119.03513	3.9
121.02943	0.3
125.02438	4.7
125.09764	0.3
127.90031	0.3
131.03519	0.8
135.11858	0.4
139.04034	0.4
141.09258	0.4
143.03529	1.8
149.04491	0.4
149.09747	0.3
149.95322	0.3
157.06342	0.3
161.04588	2.6
167.10757	2.7
171.10327	0.4
177.12834	0.6
179.05597	4.0
179.10760	1.2
179.14417	3.1
180.14766	0.3
185.04582	0.4
193.55522	0.3
195.13887	14.6
196.14452	1.1
197.34358	0.3
199.06055	0.3
205.12311	8.1
206.12637	0.4
211.13443	0.9
221.06613	1.9
223.13383	68.8
224.13707	4.2
225.14932	0.8
228.13608	0.7
235.08212	3.3
245.06560	0.4
251.27769	0.3
253.09308	1.1
254.61423	0.4
256.13223	0.7
263.07700	0.4
265.21744	0.6
275.20142	5.0
276.20377	0.4
287.07684	1.3
291.19638	1.1
293.21219	100.0
294.21539	9.4
305.08777	1.4
309.20837	0.5
317.21317	0.5
323.09808	1.1
327.21512	0.6
379.12375	3.0
397.13489	32.7
398.13861	2.6
415.14526	13.8
416.14819	1.1
499.34402	0.5
590.90356	0.3
603.26422	3.5
604.26788	0.5
621.27704	7.9
622.28424	1.1
673.34833	0.9
691.35577	2.2
692.35864	0.5
897.48688	1.3
898.48694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10904	5.3
71.01385	23.8
71.49952	8.4
72.99323	13.4
75.00867	100.0
81.65289	5.8
85.20417	6.6
87.00845	8.4
88.91751	5.6
89.02451	10.3
90.06767	5.7
91.30688	6.0
101.02435	18.6
137.02454	6.6
161.04402	7.2
165.12886	6.5
171.10274	18.9
195.13795	17.2
197.11809	11.3
199.72116	6.3
211.13365	11.9
245.19182	6.8
253.09357	13.7
254.09712	7.4
255.23222	23.6
256.23639	9.0
277.21692	12.4
289.18103	13.4
290.18445	6.7
291.19852	7.3
293.21219	17.1
294.21552	10.3
307.19086	14.7
309.20386	12.0
311.22427	11.0
323.22217	16.0
328.50345	6.4
374.11212	6.2
397.13562	19.2
688.15283	7.0
897.48895	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98525	76.9
71.01372	53.0
75.00880	99.4
76.74256	42.1
88.98785	62.0
89.02435	47.7
100.49691	35.4
102.05782	32.9
104.64393	38.9
121.14201	42.4
125.02442	62.8
171.10229	45.2
173.20551	37.2
174.01740	54.2
223.13414	81.7
253.09180	62.0
289.18100	57.5
291.19391	38.5
293.21240	100.0
305.17215	42.1
309.20813	50.4
555.22479	38.9
584.60394	41.5
638.76605	42.2
665.21710	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	68.3
68.22552	60.9
72.99304	97.2
78.95905	95.0
80.96483	53.5
85.29625	56.8
86.68734	64.5
88.98805	100.0
89.02407	54.4
95.58069	48.2
100.37457	69.3
104.14651	60.2
126.81897	61.4
149.39142	57.2
150.50583	55.2
229.06635	61.5
396.10138	57.7
400.69141	61.4
716.05945	64.6
785.17450	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02405	0.5
65.00327	2.1
69.51945	0.4
71.28580	0.9
83.01385	0.8
107.01383	2.4
108.02200	1.0
108.50591	0.5
109.02947	1.3
109.50949	0.4
121.02964	2.1
125.02448	1.2
134.48196	0.5
135.00951	0.5
139.71727	0.4
139.90800	0.4
140.16599	0.4
148.01668	0.5
149.02518	0.7
151.00366	13.2
151.03961	0.7
152.01054	0.6
163.00438	2.5
163.71075	0.4
164.48352	0.4
178.99857	5.5
187.04019	0.9
190.99785	0.6
201.05504	0.7
211.04034	1.6
213.05676	0.6
226.02698	0.7
227.03442	1.4
229.05086	0.8
243.02931	4.4
244.03871	0.4
245.04492	1.6
254.02269	1.1
255.02997	14.6
256.03436	2.0
271.02475	26.4
272.02908	2.7
273.03986	1.2
283.02420	1.9
284.03223	1.0
285.04047	1.7
299.02084	0.5
300.02753	58.5
301.03488	45.9
302.03778	4.0
303.04797	1.3
357.94025	0.5
447.09320	100.0
448.09662	13.5
449.10495	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	895.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99625	1.8
69.03474	2.0
71.01383	10.2
72.99309	17.9
85.02940	2.4
87.00878	9.4
89.02439	6.7
95.05011	1.7
97.02939	4.3
97.06580	4.8
97.41437	1.8
98.19832	3.0
101.02451	10.8
109.06616	1.8
111.08169	10.6
112.62953	1.6
112.64521	1.8
113.02455	4.0
119.03442	2.3
123.04527	2.1
123.08184	3.0
125.09743	3.6
127.07679	2.0
137.09744	3.5
151.11282	3.5
153.12845	2.2
161.04523	3.3
163.11250	6.3
165.12810	7.4
169.12268	6.0
171.10217	5.0
177.12859	2.0
179.10719	2.1
181.12373	4.9
185.11810	3.0
191.14360	7.5
197.11829	56.4
198.12268	2.7
199.13322	3.9
209.11816	22.1
211.13412	13.8
215.12808	2.6
220.68782	2.0
225.11246	2.4
227.12852	4.5
235.08203	7.8
237.11357	1.8
245.19138	12.0
247.20728	1.9
253.09302	31.2
255.23238	3.9
263.20135	13.7
275.34021	2.1
289.18076	69.4
290.18365	5.1
291.19672	31.5
307.19116	80.5
308.19528	8.4
309.20694	100.0
310.21082	9.7
317.53317	1.8
327.35349	2.1
445.20630	5.6
501.41681	1.8
525.26813	3.1
543.27771	9.2
737.41034	3.6
835.48145	5.5
895.49207	6.4
896.47998	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	895.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63612	1.1
63.70228	1.0
69.28358	2.6
69.28761	9.7
71.01369	4.5
73.02913	1.1
76.70814	1.2
78.95923	1.2
85.02950	1.1
87.00874	2.6
88.98810	6.7
89.02433	2.7
97.06601	1.1
98.19857	1.9
100.24616	1.0
101.02446	5.0
105.14944	1.0
111.08175	2.0
113.02464	3.7
119.03500	1.7
125.09780	1.3
126.45844	1.2
134.13780	1.1
161.04550	2.6
183.03082	1.3
195.13812	8.8
197.11813	9.8
209.11772	2.3
211.13348	2.5
223.13391	5.3
235.08180	4.9
253.09277	26.1
255.23329	6.1
256.13123	1.7
273.18604	2.3
275.20044	6.6
291.19629	12.3
292.19864	1.3
293.21222	100.0
294.21616	8.6
305.21451	1.2
307.22659	1.8
309.20590	1.5
323.22247	91.4
323.55234	1.1
324.22662	7.8
397.13464	2.8
529.30444	1.8
535.19946	1.2
545.28448	1.2
842.71564	1.2
895.48651	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	895.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31265	1.3
69.03457	1.8
71.01385	9.6
72.99287	1.6
73.02936	1.6
81.03445	2.3
81.73782	1.5
83.01382	2.6
83.05023	2.1
85.02945	2.9
86.85167	1.1
87.00864	2.3
89.02451	5.9
95.05051	1.8
97.02943	9.5
97.06567	3.4
98.19870	3.5
98.20596	5.0
101.02431	7.2
111.08171	1.5
113.02441	4.7
119.08630	1.6
121.06624	1.3
123.04534	2.8
123.08156	1.9
125.09708	7.9
135.08235	1.8
137.09717	7.0
141.12862	1.7
143.03497	1.6
145.05078	1.2
150.10538	1.3
151.11351	1.4
161.04556	4.9
163.11264	8.1
165.12801	8.8
169.12437	1.1
171.10269	7.8
179.05730	1.8
181.12361	3.2
183.13939	1.6
185.11902	6.6
187.42853	1.2
191.14420	8.9
193.12355	2.5
197.11816	5.3
207.10236	5.4
208.94164	1.3
209.11824	19.3
211.13347	6.0
217.15947	1.6
225.11171	3.4
227.12836	5.4
229.15915	1.7
234.71887	1.2
235.08218	3.9
237.11307	4.9
245.19073	14.8
247.16972	1.7
247.20609	5.7
253.09280	26.1
255.23434	1.5
263.20142	5.5
271.17099	2.6
273.18457	2.1
289.18079	80.4
290.18362	7.3
291.19638	55.7
292.20023	6.2
293.21161	1.6
307.19141	70.0
308.19360	7.4
309.20697	100.0
310.20975	7.9
436.38699	1.3
445.20752	1.5
525.27155	2.9
543.27960	3.4
545.29956	2.0
611.99707	1.7
861.13251	1.6
895.47736	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	895.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25304	1.9
71.01383	0.5
75.00926	0.2
75.42083	0.3
87.00875	3.1
88.00394	2.1
88.01212	0.3
88.98803	100.0
89.02438	27.2
89.99152	1.0
90.02760	0.3
98.20613	0.3
101.02430	0.4
164.13417	0.2
209.11819	2.5
253.09111	0.3
255.23233	1.2
293.21234	1.3
294.21552	0.2
294.26752	0.2
397.13394	1.1
415.14523	0.4
587.34851	0.2
810.22968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09300	2.9
69.03422	3.6
69.20793	17.9
69.21215	12.1
71.01375	34.0
72.99303	8.8
73.02946	7.3
75.00871	73.8
77.59621	3.6
83.05035	4.2
85.02934	6.8
87.00882	10.6
88.98835	4.6
89.02443	25.8
97.02969	3.3
97.06577	5.0
101.02449	15.6
113.02459	11.4
116.54975	3.3
119.03513	8.0
123.04631	3.0
125.02485	10.5
125.09726	10.1
138.52849	4.0
143.03479	5.6
151.11142	3.1
155.10770	14.4
161.04491	5.6
169.12335	57.8
171.10275	20.6
179.05588	5.6
183.10277	7.6
185.11734	5.3
195.13834	9.8
197.11859	3.9
199.09752	7.1
201.11363	6.1
209.11874	4.5
213.11313	20.2
223.13423	4.9
235.08252	7.3
253.09354	18.0
255.23297	96.0
256.23743	9.6
269.25006	4.9
275.20081	9.2
279.19473	3.3
287.16779	4.9
289.18109	9.8
291.19736	16.5
293.21225	100.0
294.21533	6.4
305.17551	14.8
307.19168	6.5
323.18597	24.2
379.12558	21.5
381.13150	3.7
381.17984	3.7
397.13586	50.2
415.14551	7.0
419.19272	8.7
538.55115	3.2
549.25702	4.7
567.26514	5.4
635.36365	8.8
653.37366	7.6
697.87207	3.7
849.48676	13.6
867.49927	4.6
895.49023	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	895.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.0
71.01380	17.5
72.99305	2.2
73.02940	3.3
81.03440	1.8
83.01392	1.6
85.02955	5.5
87.00881	4.3
88.98808	1.1
89.02444	16.3
92.25481	0.7
93.03445	0.8
94.77467	0.8
95.01428	1.3
95.04994	1.6
97.02947	2.9
97.06612	0.8
98.19880	2.1
101.02450	13.7
107.88491	0.8
111.08165	8.6
113.02467	8.5
119.03532	4.8
125.02426	5.8
126.04331	0.7
131.03487	0.8
135.11781	1.0
137.09674	0.8
143.03520	2.5
149.09740	1.0
161.04535	3.2
167.10750	3.9
171.10249	1.2
177.12839	2.3
179.05597	6.0
179.10779	2.2
179.14436	2.4
195.13889	14.1
205.12317	7.8
217.07233	0.8
221.06714	1.2
223.13385	70.9
224.13724	5.1
235.08197	4.8
247.20665	2.0
253.09232	2.2
273.18655	1.1
287.07324	0.7
289.18146	2.2
291.19656	100.0
292.20010	8.6
293.21127	2.3
305.08884	1.5
307.19360	1.4
309.20712	2.5
323.09818	2.0
379.12317	4.7
397.13519	35.3
398.13950	2.2
415.14728	7.5
479.31564	1.1
497.32660	1.2
603.26654	5.2
621.27667	8.4
622.27734	1.8
664.25507	1.0
671.33246	4.5
672.33051	1.6
689.33826	7.3
733.37341	0.9
877.45996	2.5
895.47559	2.6
896.47314	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	895.499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	33.1
71.50091	5.2
72.99302	4.0
73.02885	4.6
75.00875	79.4
78.95895	5.2
83.01364	6.1
85.02927	4.4
87.00856	11.0
89.02445	26.8
93.63279	4.0
97.02943	5.3
99.00879	4.3
101.02431	22.4
113.02451	12.5
119.03474	5.2
125.02441	12.8
126.25603	3.7
141.23267	3.4
153.09198	5.0
153.87509	3.9
155.10764	6.8
161.04514	7.8
169.12341	63.7
171.10260	22.9
179.05591	7.2
183.10280	9.1
195.13881	7.2
199.09784	4.9
201.11269	5.4
209.11888	5.1
213.11339	14.4
223.13177	4.1
235.08192	7.3
250.92229	3.6
253.09319	11.5
255.23276	100.0
256.23676	6.8
275.20325	4.1
291.19632	8.3
293.21210	53.7
294.21597	4.4
305.17548	12.0
323.18527	13.6
379.12509	26.7
380.12231	4.2
397.13449	56.5
398.13638	4.6
398.54837	3.9
415.14383	8.0
419.19196	3.5
549.25647	5.0
614.89697	4.0
635.36230	11.8
653.37738	8.9
695.40063	4.2
805.48517	4.6
817.46973	4.8
849.49109	8.9
895.49292	12.7
909.80255	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	895.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01010	6.7
71.01382	100.0
71.06077	4.7
72.46883	2.9
72.99297	6.0
73.02937	6.1
74.74570	3.1
82.22146	2.9
83.01387	4.0
85.02937	8.0
87.00870	5.1
88.98806	21.8
89.02448	18.3
95.04974	3.8
96.95970	3.8
97.02952	7.0
97.74233	2.6
98.23914	2.7
99.00836	4.3
101.02441	20.1
105.01942	7.2
109.06587	15.8
113.02426	8.3
119.03501	7.4
119.94630	4.0
123.04453	3.5
125.02456	11.7
143.03484	3.0
163.11276	10.8
165.01849	3.4
171.10240	12.3
179.05614	7.0
181.12297	3.8
183.13824	7.1
193.54002	3.0
201.11316	5.0
207.10260	50.0
209.11856	15.3
211.13390	72.0
212.13657	5.5
220.08252	3.3
220.19348	3.4
225.11302	28.8
227.12816	12.5
235.08218	5.2
243.12386	4.0
275.31540	2.7
311.97394	2.7
322.05173	3.2
351.58154	3.5
391.24902	3.8
397.13599	29.2
401.23538	7.1
415.14606	10.2
419.24011	4.4
605.24292	5.1
623.25067	7.1
625.27069	3.4
712.12219	3.6
799.36841	12.2
817.38684	23.4
818.39124	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	895.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01866	0.3
69.03456	0.3
70.50723	0.6
71.01381	13.1
72.99298	2.2
73.02931	0.7
75.00870	14.0
83.00938	0.3
83.01373	1.5
85.02946	14.3
86.03317	0.3
87.00877	3.8
89.02442	4.1
94.92196	0.2
95.01376	1.9
97.02984	0.3
99.00271	0.3
99.00887	4.7
101.02449	3.7
111.00797	0.4
112.01630	0.3
113.02447	13.2
114.02803	0.5
115.00325	1.2
117.01929	1.1
119.03474	1.4
124.01741	0.3
125.02410	0.4
129.01942	0.5
131.03502	0.8
137.02396	0.5
145.18095	0.3
157.01364	0.4
157.66350	0.3
173.04510	1.9
175.02451	0.7
259.10507	0.3
288.88489	0.2
341.12436	0.4
459.15051	100.0
460.15408	12.9
460.21988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82387	2.8
64.72813	2.7
71.01012	6.1
71.01384	100.0
71.50551	6.3
72.86098	3.4
72.99304	4.7
73.02934	4.7
75.00916	3.4
78.95918	4.8
80.93611	3.2
81.03435	4.4
83.05029	4.4
85.02953	5.4
87.00881	6.8
88.98806	29.6
89.02438	16.7
96.95983	4.0
97.02917	8.4
101.02425	14.9
103.27840	2.6
105.01900	3.0
109.06593	12.5
113.02450	9.0
116.92870	3.7
125.02427	8.8
136.05292	3.2
137.02464	4.8
142.58702	2.4
143.03491	5.0
161.04533	5.5
163.11273	11.2
171.10263	5.8
179.05595	5.0
181.12424	2.6
183.13898	9.4
185.11742	3.1
199.13501	3.0
201.11182	3.5
207.10292	37.8
208.12390	2.8
209.11781	15.1
211.13383	87.7
212.13690	3.6
221.06610	4.7
225.11339	34.9
227.12833	9.6
235.08215	3.9
253.09203	4.5
309.40381	3.0
373.23648	3.6
397.13495	30.9
398.13773	3.8
401.23010	3.7
415.14407	12.2
419.24268	3.8
605.24341	4.0
609.27509	4.6
623.25116	5.7
645.05933	2.9
799.37463	12.6
817.38831	19.1
818.38684	8.0
895.48151	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	893.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.4
71.01377	10.1
72.99310	4.3
73.02945	2.4
75.00856	1.6
81.03457	3.5
83.01395	4.3
83.05029	2.2
85.02938	3.0
87.00885	2.4
89.02453	4.5
95.05022	2.9
97.02951	3.5
97.06579	6.8
98.20667	2.7
101.02448	7.0
109.06586	1.4
111.08202	1.5
113.02451	2.6
119.03503	2.1
122.90403	1.3
123.04519	3.1
123.08206	1.4
125.02405	1.2
125.09728	10.0
135.08183	2.0
137.09726	4.9
155.10805	1.5
161.04541	3.4
161.09628	1.4
163.11298	8.4
165.12860	2.3
167.03311	1.2
171.10210	3.0
181.12401	1.2
185.11832	10.0
191.10872	1.9
191.14368	11.8
195.13873	1.4
207.10315	5.8
209.11810	24.9
210.12225	1.3
211.13412	2.7
223.13574	1.8
225.11363	6.3
226.11961	1.1
235.08258	3.7
237.11299	4.0
245.19092	20.4
246.19475	1.3
247.17108	1.5
253.09300	16.9
255.23340	6.5
263.20172	5.5
269.24847	1.3
271.16934	4.8
289.18085	100.0
290.18549	9.1
291.19720	6.7
293.21204	6.2
307.19141	85.2
307.21878	1.4
308.19501	8.3
309.20599	2.9
379.12683	1.5
397.13266	2.9
445.20682	2.0
525.27191	2.2
528.76868	1.6
543.27991	1.6
615.52118	1.3
803.94574	1.3
833.47217	2.8
893.48145	6.8
907.09308	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	891.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59264	1.6
65.10457	2.0
69.97319	2.4
69.97717	3.7
71.01370	3.9
77.74135	1.6
82.13942	1.8
85.02955	4.7
89.02430	3.6
101.02435	5.1
103.67526	1.4
111.08162	3.2
113.02436	3.7
113.68148	2.0
116.92842	6.6
161.04567	3.9
171.10252	11.8
179.05518	2.6
187.35449	1.7
195.13872	2.9
209.11787	8.7
211.13351	7.3
223.13255	2.7
227.12833	3.9
229.14404	6.2
235.08246	8.1
247.20653	1.8
253.06703	2.1
253.09238	27.3
289.18048	3.3
291.19659	85.9
292.19940	7.4
293.21133	12.6
294.21524	2.0
307.19113	2.0
309.20605	8.0
327.21747	100.0
328.22183	8.4
436.77054	1.9
493.87970	1.8
527.28699	5.1
545.29358	1.9
563.30518	6.2
567.14642	1.7
575.82367	2.1
601.30878	1.6
601.40643	1.9
658.90247	1.8
671.01648	1.7
713.17175	1.7
769.43628	2.4
805.40802	6.6
806.42157	2.0
891.48315	11.0
892.48260	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	893.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01867	0.3
69.03452	1.0
69.25745	3.3
81.03453	1.4
83.01385	1.4
86.10378	0.3
95.01389	0.9
95.05025	0.9
97.02950	3.0
107.01398	1.8
109.02946	7.6
111.00900	0.8
117.03458	0.4
121.02943	0.8
123.00870	1.3
123.04504	3.3
124.01694	0.5
125.02441	65.6
126.02801	1.9
135.04544	0.5
136.98790	0.4
137.02449	5.6
139.00325	0.8
139.04001	0.9
140.01115	1.0
143.05066	0.6
145.02963	2.0
148.57893	0.4
149.02438	2.2
150.03232	0.8
151.03995	4.4
159.04486	1.7
160.05061	0.5
161.02402	0.5
161.06091	2.4
162.03217	0.6
163.03947	0.5
164.01134	0.6
165.01898	1.5
166.99873	1.2
167.03528	0.7
168.00580	1.3
169.01414	100.0
170.01752	2.8
175.04044	0.7
175.07462	0.5
176.05916	0.4
179.03532	2.0
185.06052	0.7
187.03981	1.9
188.04732	1.3
193.01370	3.3
202.06401	0.7
203.07118	4.7
205.01416	0.4
205.05051	2.7
221.08107	0.8
225.05342	0.4
227.07166	1.0
245.08159	7.5
246.08447	0.6
247.06036	0.6
253.04935	0.8
259.06146	1.0
271.06119	5.0
287.05533	0.5
289.07166	37.2
290.07565	2.8
303.05203	1.7
331.04623	2.3
397.09128	0.8
399.15945	0.3
441.08234	55.7
442.08530	6.3
604.68475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88696	1.2
71.01376	5.5
71.05032	1.9
80.02678	1.2
83.01400	1.3
83.05000	1.3
88.98785	6.8
89.02428	3.1
95.05040	2.5
97.02940	2.2
98.19833	1.8
101.02433	3.8
102.18977	1.3
109.06597	5.9
111.04518	2.4
113.02431	2.6
116.92921	1.2
125.09695	2.7
134.83215	1.2
135.08177	1.3
137.09712	2.1
143.10765	1.3
161.04524	2.6
163.11269	2.3
167.10663	1.3
185.11761	2.5
191.14343	2.9
195.13864	5.4
197.11815	4.8
207.10381	1.4
209.11804	9.0
211.13434	1.8
223.13478	2.0
225.11227	1.5
235.08273	3.2
237.11438	1.4
245.19104	9.9
253.06569	1.8
253.09244	15.0
263.20209	2.0
271.17010	2.2
287.16583	1.7
289.18091	100.0
290.18323	8.6
291.19617	4.6
291.57993	1.1
293.21194	19.5
294.21652	2.1
305.17548	1.4
307.19122	26.2
308.19559	2.7
309.20767	13.4
341.79486	1.3
525.27356	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	890.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98535	3.1
61.98831	40.3
62.92548	2.0
66.95071	1.7
71.50108	2.6
73.11613	1.7
79.09720	1.9
80.91695	2.3
82.95415	41.7
84.00911	100.0
84.77428	1.7
84.95127	14.8
96.24316	1.8
118.90703	1.7
147.55429	1.9
175.10677	1.9
182.00159	1.7
195.13882	3.6
218.77602	2.1
223.13387	4.5
253.09229	11.9
275.20139	3.4
293.21213	66.7
294.21518	4.3
323.75076	2.2
430.93399	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	891.199
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19354	0.4
65.00327	0.9
67.01909	0.7
69.03445	1.1
69.29634	2.3
69.30013	0.5
71.01380	0.3
71.78683	0.2
74.60023	0.3
74.75257	0.3
79.01899	0.5
81.03465	1.1
83.01375	1.9
91.65496	0.3
93.03461	0.4
95.01379	0.8
95.05048	1.1
97.02949	2.7
98.20676	0.5
107.01402	2.5
108.02164	0.4
109.02957	8.0
111.00880	0.7
121.02964	1.2
123.00890	1.5
123.04530	5.1
124.01708	0.8
125.02449	65.3
126.02782	1.4
127.63645	0.3
133.02948	0.3
135.04561	0.8
136.98795	0.5
137.01450	0.7
137.02438	6.6
139.00374	1.0
139.03998	0.8
140.01144	0.9
145.02965	2.2
145.38727	0.3
146.03760	0.5
149.02429	2.3
150.03172	0.8
151.00383	3.5
151.04018	5.6
152.01099	0.8
159.04510	1.5
160.05290	0.3
161.02399	0.7
161.06105	2.1
162.03232	0.3
163.04025	0.3
164.01151	1.3
165.01915	2.2
166.99854	1.2
167.03505	0.4
168.00612	1.2
169.01422	100.0
170.01797	3.4
175.03951	0.9
175.07645	0.8
177.05579	0.3
178.99878	0.7
179.03488	1.8
183.04527	0.5
185.06064	1.1
187.04015	1.7
188.04745	1.2
193.01433	3.5
193.49384	0.3
196.78180	0.3
201.05586	0.5
202.06277	0.5
203.07109	4.6
204.59554	0.3
205.01428	0.6
205.05084	2.8
217.05042	0.4
217.71310	0.3
221.08147	0.7
227.07159	0.7
231.02992	0.4
241.74837	0.3
243.06590	0.3
245.04471	0.4
245.08162	6.7
246.08519	0.5
253.05049	0.8
256.03589	0.3
259.06027	0.8
265.71109	0.3
269.13916	0.5
271.06128	5.0
272.06387	0.5
275.05707	0.3
285.03851	1.6
287.14993	0.5
289.07178	40.5
290.07587	3.0
301.03528	0.3
303.05084	3.0
315.04889	0.4
331.04657	2.1
397.09000	0.6
400.28864	0.3
441.08249	49.8
442.08615	5.7
449.10941	1.9
449.20215	0.9
489.43069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01379	0.8
71.51398	0.4
75.00864	0.5
88.98801	0.6
89.02426	0.4
96.96011	0.3
99.92558	0.3
101.02431	0.5
103.00389	0.6
110.55589	0.2
113.02533	0.3
115.00409	0.3
116.92857	3.8
123.00837	0.3
124.73812	0.2
125.02460	0.5
127.56119	0.2
132.03047	0.4
134.89482	0.3
136.44438	0.2
137.02446	0.4
171.10240	0.3
209.11815	0.5
211.13382	0.3
223.13498	0.7
224.13759	0.6
253.09387	0.3
291.19543	0.3
309.20718	0.8
327.21771	0.5
571.60565	0.3
610.67572	0.3
712.53949	0.3
843.41248	0.3
864.44788	0.3
890.49207	0.4
891.48065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98545	0.3
71.01390	0.5
78.47735	0.1
87.00929	0.2
88.98815	0.5
96.96030	0.4
98.19886	0.4
99.92586	0.7
102.90493	0.1
103.66373	0.1
113.02459	0.2
113.48782	0.1
116.92862	5.4
117.92887	0.5
125.02398	0.3
132.03114	0.2
134.89507	0.9
137.02463	0.2
176.74736	0.2
198.16573	0.2
202.97682	0.2
209.11835	0.3
211.13443	0.2
223.13472	0.7
224.13800	0.6
225.13995	0.3
253.09338	0.4
291.19504	0.4
309.20874	0.3
327.22028	0.4
490.80255	0.2
624.28784	0.3
890.48065	0.2
891.48175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	56.3
69.25961	7.0
70.05317	7.2
70.92267	6.6
71.01392	20.6
73.02953	8.8
85.02942	8.3
88.98823	27.1
89.02475	11.2
92.40514	7.9
97.02951	6.8
97.06591	9.3
101.02482	17.8
113.02484	8.4
116.92868	27.2
157.04765	7.3
161.04610	11.2
163.11246	7.3
171.10258	25.2
195.13882	10.5
197.11874	34.9
209.11861	46.3
211.13316	16.7
225.11446	9.0
227.12912	11.9
235.08293	12.1
245.19156	8.7
253.09308	58.3
265.14703	12.2
275.20413	9.0
276.58847	7.5
289.18106	64.4
291.19650	78.0
292.20004	7.3
293.21194	100.0
294.21484	9.4
295.22797	11.1
305.17459	8.3
307.19122	77.8
309.20703	96.9
325.20129	18.8
327.21591	11.1
336.05075	7.3
341.19781	6.9
341.23132	38.3
499.29294	7.2
889.49420	54.4
890.50092	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	889.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	22.7
63.99246	4.7
69.03439	1.5
71.01385	17.7
73.02940	3.1
78.53460	1.3
78.57336	1.4
83.01341	1.9
85.02961	4.0
87.00871	3.5
89.02452	13.1
97.02946	2.5
98.20667	3.4
101.02443	11.3
102.86327	1.5
105.81232	1.5
113.02426	7.9
116.92796	2.4
119.03497	4.8
125.02420	6.5
127.11250	2.4
131.03461	1.9
143.03481	3.6
161.04512	3.5
166.07542	1.4
171.10266	100.0
172.10606	3.4
179.05620	3.9
185.11745	2.7
209.11734	7.2
229.12033	2.2
235.08167	5.5
253.09375	2.3
277.21719	51.2
278.22079	4.6
281.25034	2.7
291.19565	2.1
293.21039	3.2
305.08636	1.8
307.18927	1.9
343.20026	1.8
343.96948	1.6
379.12500	12.6
397.13470	39.2
398.13831	2.4
415.14575	8.2
551.23401	3.0
569.24451	3.4
616.12933	1.8
889.48456	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	889.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	62.4
69.97047	43.3
71.01368	10.9
75.87064	8.3
82.16972	8.8
88.98824	21.6
89.02431	20.7
98.19836	9.2
101.02408	11.9
111.08174	10.9
112.05684	10.8
113.02485	9.8
116.92833	43.2
124.44458	9.8
125.45226	9.9
140.86038	9.5
140.87225	8.9
146.04529	14.2
171.10275	22.2
195.13884	11.3
197.11804	28.2
209.11845	23.0
211.13414	14.7
235.08160	14.0
240.35623	8.9
253.09290	60.6
269.09729	10.0
277.21506	10.6
289.18137	20.3
291.19684	52.0
293.21280	100.0
307.19211	46.9
308.19556	12.7
309.20663	77.8
325.20020	13.5
341.23300	85.4
453.54883	10.7
569.38214	10.8
577.32458	11.7
889.49469	79.6
890.50299	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	889.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.99244	2.0
66.16955	1.6
71.01373	10.1
71.49667	2.0
78.95905	4.5
80.96511	3.1
85.20338	1.7
89.02424	2.0
101.02452	2.7
101.95847	1.7
109.06555	2.0
113.06091	2.9
116.92856	11.3
117.79852	1.6
125.02414	1.8
171.10214	2.8
185.17366	1.7
195.13922	2.6
199.09770	4.8
207.10237	7.5
209.11827	15.3
215.75052	1.6
225.11308	5.1
227.12787	3.9
235.08211	2.3
253.09245	6.8
279.15787	2.3
281.24783	3.4
293.21194	27.3
294.21500	1.7
298.89136	1.8
338.81995	1.9
348.82330	2.4
351.57672	1.5
392.20645	1.8
405.34946	1.8
446.28177	1.8
461.20190	2.2
494.31839	2.0
524.04578	1.9
737.40704	3.0
889.49310	14.3
890.50592	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	889.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	23.8
63.16214	2.3
70.68529	6.3
71.01376	4.4
73.02950	3.7
75.67719	2.6
88.98806	6.8
99.92590	14.8
101.02458	4.0
102.19402	2.3
104.30521	2.2
113.02501	3.9
116.92863	100.0
117.01975	3.4
117.92902	8.8
121.02996	3.2
123.04533	2.6
125.02437	2.6
141.01657	3.2
147.50232	2.1
171.10263	9.3
171.62770	2.1
195.13841	2.4
197.11823	4.5
209.11743	12.5
211.13377	3.2
212.63284	2.3
227.13014	2.5
235.08165	6.9
253.09227	15.3
256.64307	2.4
289.18011	25.6
290.18347	2.8
291.19662	5.7
293.21228	7.4
307.19193	34.7
308.19592	3.0
309.20639	11.2
325.20267	6.4
327.18179	4.3
327.21780	45.4
328.22110	2.5
563.30560	6.1
835.48602	5.6
853.49371	6.4
889.47516	37.2
890.47455	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	889.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	35.4
64.90229	2.7
68.99578	3.2
70.51608	2.6
71.01389	7.8
84.05737	2.9
85.02976	4.2
88.98799	6.5
89.02433	7.1
96.96010	19.6
99.92593	8.8
105.93692	2.8
113.02454	5.0
114.93417	8.2
116.92863	100.0
117.01925	4.6
117.92869	9.2
121.02987	3.7
125.02431	3.8
126.62807	3.1
131.04633	6.2
132.02992	3.8
134.89537	3.6
137.02428	6.1
137.99121	2.8
144.35976	2.9
146.04556	3.0
161.04568	4.0
171.10333	14.7
172.96701	3.3
197.11835	3.2
199.13342	4.2
209.11716	5.3
211.13370	8.9
235.08212	10.2
253.09294	18.4
289.18063	64.7
289.21027	4.9
290.18451	3.5
291.19629	7.5
292.19431	3.0
307.19186	10.7
309.20682	18.0
327.21738	67.9
328.22000	7.1
329.23309	3.8
341.23285	6.1
343.24820	7.1
410.71756	3.5
469.66089	3.0
525.26776	11.5
545.29205	4.8
563.30365	8.0
684.43146	4.1
721.18890	3.3
835.49268	4.0
889.47186	33.6
890.47632	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	888.532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.73034	0.2
65.72795	0.3
68.92249	0.2
71.49712	0.4
78.95921	0.3
79.95760	0.3
80.28523	0.2
80.96525	0.9
82.39472	0.2
116.92860	0.3
125.04781	0.2
152.14030	0.3
162.76750	0.3
164.98523	0.3
202.13728	0.2
225.00800	0.4
226.42944	0.2
241.09253	0.2
689.74396	0.3
888.49780	0.5
889.49432	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	888.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.28874	0.4
69.29292	0.8
71.01405	0.3
78.95906	2.8
80.96519	0.5
89.02451	0.2
96.96976	0.5
98.20724	0.2
112.59298	0.2
121.02892	0.2
138.40529	0.2
144.69630	0.1
152.99593	0.4
195.13974	0.4
207.10263	0.2
209.11803	0.4
217.03706	0.2
223.00172	0.2
225.00734	0.2
225.11327	0.2
241.01053	0.8
264.51572	0.1
277.21500	0.2
281.24939	0.5
293.21262	0.4
295.22803	0.8
296.23123	0.4
397.13504	0.3
496.95901	0.2
522.77191	0.2
543.26434	0.2
594.30664	0.2
732.37512	0.2
888.49622	3.9
889.50317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	35.5
71.01398	7.7
71.49464	7.7
78.95893	6.6
88.98831	8.6
89.02500	7.6
97.02974	7.0
99.92590	9.7
101.02431	7.3
110.01585	5.9
111.08116	7.9
116.92853	81.5
125.02514	6.0
125.09782	6.6
128.63921	5.1
133.05049	9.1
165.12749	5.7
171.10298	16.8
185.11893	6.3
195.13896	7.1
197.11749	30.4
209.11830	34.6
211.13478	9.7
227.12845	9.9
235.08246	12.9
240.60847	5.0
247.20616	5.5
253.09229	50.5
254.09773	6.7
263.22870	6.2
289.18088	62.0
290.18549	7.3
291.19681	50.9
293.21182	54.2
307.19180	64.6
309.20673	100.0
310.21048	8.1
341.23215	33.9
397.13525	9.0
577.32526	6.0
631.83734	5.8
889.49835	38.3
890.48566	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	887.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	13.1
68.99538	0.8
69.03441	2.9
70.34820	0.7
71.01375	7.4
72.99310	0.9
73.02937	1.1
78.95909	1.3
79.95709	1.4
83.05027	2.3
84.02168	2.4
85.02952	7.0
88.04047	1.9
89.02450	5.2
95.02466	0.7
96.96013	32.0
96.96967	1.7
97.02957	1.8
97.06595	7.6
99.00906	0.8
99.92609	0.8
101.02432	4.3
102.05579	1.8
112.97591	0.7
113.02463	2.8
113.03551	1.8
114.02018	1.2
114.05637	1.1
115.00388	0.9
116.92867	5.5
117.92950	0.7
119.03538	1.3
123.04534	0.8
125.02460	1.4
125.09739	2.2
131.03615	1.3
131.04581	5.1
132.03015	6.4
137.09688	2.0
146.04605	2.8
155.10751	1.4
158.04539	0.8
161.04535	2.6
163.11285	1.1
165.12828	1.0
171.10262	29.0
172.10622	0.9
177.13164	0.7
179.05632	1.2
183.13835	2.0
185.11813	1.7
193.12343	8.0
195.14009	1.0
197.11795	1.2
201.11267	1.9
209.11928	4.1
211.13359	11.5
221.11803	2.6
222.25031	0.7
225.11447	1.0
225.14964	14.2
229.14424	7.1
235.08165	5.3
239.12962	1.2
243.15991	5.3
253.09271	29.9
253.14441	1.3
254.09663	1.1
273.18301	1.2
291.19632	5.3
293.21191	1.2
305.17523	0.9
309.20737	4.7
323.22174	1.1
327.21741	76.0
328.22076	8.3
341.23297	100.0
342.23688	7.7
380.89963	0.8
545.30023	1.2
563.30853	5.2
577.32245	3.8
578.32709	1.0
651.44348	5.8
652.45172	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	887.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	1.9
62.99251	0.5
63.99255	9.0
71.01382	0.8
71.49865	0.3
79.95708	0.4
80.96522	0.6
85.02964	0.4
89.02467	0.5
93.80836	0.4
101.02461	0.6
109.06581	0.3
111.04607	0.3
111.08105	0.3
113.02515	0.4
125.09733	0.2
141.22374	0.3
177.12743	0.3
195.13855	0.3
208.93529	0.3
209.11800	1.7
217.11140	0.3
227.13040	0.3
247.13652	0.2
253.09300	1.0
279.23438	0.6
287.16644	1.1
289.18033	1.2
291.19693	2.6
292.19955	0.3
293.21204	1.3
303.15961	0.5
305.17673	1.8
307.19110	1.2
390.91769	0.3
397.13474	0.8
432.72208	0.3
534.50488	0.3
887.47351	1.8
888.47809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4638
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98831	14.8
68.99563	3.0
69.03429	1.4
69.89269	1.4
71.01388	14.8
71.50880	1.7
72.99313	1.8
73.02932	2.3
75.00881	1.9
83.01386	2.8
85.02950	2.5
87.00871	3.0
88.98785	2.3
89.02437	8.5
96.96009	21.2
96.96941	1.7
97.02920	2.6
97.06597	2.1
99.00885	1.8
101.02437	9.0
112.98572	4.1
113.02441	4.1
116.92867	16.9
116.93629	2.3
119.03513	1.5
123.04504	2.1
124.01706	1.2
125.02451	3.2
137.02426	2.5
151.04025	1.4
151.11272	8.8
165.01941	1.7
169.01591	1.2
169.12331	57.4
170.12692	2.9
171.10315	2.8
185.11603	1.2
193.12219	1.3
195.10156	1.6
195.13852	4.3
197.11787	1.8
207.10551	1.1
209.11830	4.0
211.13348	2.6
213.11346	9.3
221.06613	3.4
223.13469	2.9
225.11357	1.7
235.08240	2.9
253.09195	3.6
275.20129	1.4
289.17911	1.9
291.19458	1.4
293.21176	10.2
294.21591	1.9
305.17490	2.1
309.20639	1.4
327.21783	3.0
341.23285	3.1
366.98782	1.5
397.13712	2.0
593.24652	2.3
611.25238	1.8
887.46515	100.0
888.46930	24.5
894.15613	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	886.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98528	0.1
67.90820	0.1
78.95927	0.1
84.43719	0.1
98.20841	0.1
120.73121	0.1
155.55431	0.1
175.36523	0.1
195.62207	0.1
229.15005	0.1
277.88541	0.1
308.70700	0.1
468.30432	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	886.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98531	0.1
63.99269	0.1
69.17365	0.9
158.61740	0.1
184.86552	0.1
339.19974	0.1
372.27271	0.1
413.52557	0.1
501.05566	0.1
887.49048	0.2
916.40344	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	887.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.8
67.66260	0.7
69.03442	3.3
71.01385	14.1
71.05024	0.9
72.99284	1.3
73.02937	2.6
75.00876	0.8
81.03457	1.2
83.01369	1.6
83.04988	0.9
85.02945	2.7
85.06528	0.8
87.00874	3.8
89.02444	11.6
95.05065	0.9
96.96027	9.5
97.02922	2.0
98.95577	2.3
99.00858	1.1
101.02445	8.6
113.02458	5.3
116.92883	3.6
119.03481	3.1
125.02473	3.7
137.02451	0.9
137.21072	0.7
140.86650	0.8
143.03464	1.8
161.04532	2.4
167.10736	3.8
171.10300	1.2
177.12814	1.1
179.05589	3.2
179.10776	1.5
179.14441	4.3
193.12407	0.9
195.13890	12.2
197.11827	4.3
205.12321	10.0
209.11885	1.3
221.06448	1.2
223.13379	100.0
224.13786	4.7
224.15779	1.0
229.27342	1.0
235.08179	2.5
253.09167	1.3
265.14493	0.9
291.19482	1.1
293.21320	1.3
309.20688	4.2
323.09845	1.0
379.12497	4.6
382.85260	0.8
397.13474	26.7
398.13773	1.5
415.14645	6.3
429.26248	1.1
603.26392	12.3
604.26898	1.3
621.27594	17.1
622.27747	1.7
783.37695	1.0
809.39819	4.3
827.40558	4.7
887.46497	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	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	16.3
62.82769	0.4
63.99251	0.9
69.03424	0.7
71.01383	15.6
71.64856	0.4
72.99306	1.4
73.02947	2.3
75.00877	0.5
78.95914	0.7
79.12612	0.4
79.95747	0.8
80.02673	1.4
80.96519	0.8
81.03467	2.5
83.01393	2.0
83.05023	5.8
84.02189	1.0
85.02949	4.0
85.99986	0.4
87.00871	4.2
88.25780	0.4
89.02448	12.0
95.01379	1.0
95.05045	0.7
97.02957	2.1
98.20747	0.9
99.00875	0.9
101.02438	12.1
105.01933	0.6
108.99092	0.4
109.02930	0.5
111.00852	0.5
113.02454	8.4
115.03965	0.4
116.92857	0.9
119.03474	3.5
125.02448	6.6
125.06062	0.8
128.90123	0.4
131.03545	0.8
135.08107	0.5
141.01920	0.4
143.03476	2.6
161.04547	2.8
163.11281	5.0
165.12833	3.0
167.03514	0.6
179.05595	3.6
191.10727	0.7
197.11722	0.4
199.06007	0.7
199.13332	0.9
209.11819	100.0
210.12148	6.9
211.13356	2.5
217.07176	0.5
221.06706	1.0
227.12880	12.0
228.13396	0.5
235.08199	5.1
236.11571	0.4
251.12807	0.5
253.09303	1.8
277.21707	46.1
278.22131	4.1
287.07849	1.5
291.19647	0.8
293.21222	3.7
294.21500	0.7
305.08734	2.1
309.20773	0.7
323.09744	0.6
357.26364	0.8
379.12415	5.2
397.13498	34.1
398.13974	2.2
415.14520	8.8
416.15128	0.8
521.17383	0.5
589.25330	0.5
607.25879	0.8
608.27161	0.4
663.54456	0.5
885.46039	2.1
886.45953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98535	1.1
61.98830	16.7
63.42689	0.7
68.99548	5.8
69.03445	1.8
71.01376	18.0
71.49737	1.2
72.99312	1.0
73.02944	2.2
78.95903	1.9
80.21066	0.7
81.03465	1.6
83.01389	2.6
83.05039	1.3
85.02956	4.2
87.00883	3.5
89.02444	12.6
95.01385	1.1
96.96005	12.2
96.96976	1.0
97.02398	0.7
97.02932	3.5
97.06576	0.9
99.00876	1.1
101.02441	12.5
102.18123	0.9
106.43538	0.7
112.98560	4.5
113.02454	6.7
116.92838	1.7
119.03485	3.0
123.04480	0.7
125.02425	4.7
128.03543	0.7
131.03477	1.3
135.04495	0.7
143.03479	1.8
145.06195	2.2
161.04527	3.0
163.11275	0.9
165.12753	0.7
171.10214	3.3
172.34068	0.7
179.05608	4.4
183.13896	6.3
183.41061	0.6
184.14278	0.7
193.12233	1.5
195.13899	7.3
197.11806	1.4
205.12396	0.7
209.11812	10.6
210.12192	1.3
211.13379	71.1
211.31807	0.7
212.13699	3.8
221.06624	1.2
223.13402	4.9
225.14908	0.9
227.12866	0.9
228.13304	1.1
235.08266	6.6
236.08664	0.8
241.14301	1.1
245.19072	1.0
253.09239	4.9
256.13116	1.8
259.08344	0.9
263.07806	0.9
275.20175	5.9
277.21637	3.6
287.07608	1.5
287.16586	1.8
289.18057	6.1
290.18011	0.7
291.19742	1.2
293.21210	100.0
294.21475	8.7
305.08655	1.3
305.17401	1.6
306.38068	0.7
307.19196	1.8
309.20694	2.7
323.09897	1.6
327.21732	6.1
341.23254	2.9
357.26633	0.8
379.12302	3.9
397.13480	33.4
398.13678	2.3
415.14529	12.4
536.22125	0.7
591.26801	0.9
609.27881	3.9
610.28046	1.1
673.34125	0.9
691.34979	1.0
885.47644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	39.5
63.96239	5.1
65.81409	0.5
69.03461	1.1
71.01005	1.1
71.01382	16.6
72.99297	1.6
73.02945	2.5
75.21078	0.5
76.95110	0.6
78.95896	0.8
79.95741	14.4
80.02682	0.9
80.96510	1.5
81.03460	2.5
83.01387	1.8
83.05019	5.5
84.02201	0.6
85.02946	4.1
87.00893	3.8
89.02439	13.7
95.01362	0.8
95.05025	1.4
97.02941	2.1
99.00890	0.9
101.02438	11.8
102.02764	0.6
113.02441	6.2
116.92857	2.3
119.03491	4.1
125.02441	4.8
125.06121	0.6
131.03514	0.6
134.89484	4.1
135.08173	0.7
143.03542	3.3
161.04549	3.1
163.11302	4.7
165.12814	1.7
171.10275	0.7
179.05618	3.4
183.13834	0.8
191.10811	0.8
195.13852	0.7
197.11786	1.3
199.13374	1.6
207.10245	1.2
209.11821	100.0
210.12199	4.8
211.13409	5.1
215.12869	1.5
217.07162	0.7
221.06738	1.3
223.13347	0.8
225.11473	0.7
227.12878	11.7
228.13263	1.1
235.08228	5.4
245.45425	0.6
251.12883	1.1
253.09306	2.3
275.20206	1.3
277.21713	40.7
278.22119	4.0
287.07681	1.7
287.16507	0.6
291.19711	1.2
293.21246	7.1
294.21426	0.7
305.08643	1.4
305.17639	1.4
307.19241	0.7
309.20724	1.2
310.21130	0.7
379.12469	6.3
380.12854	0.8
397.13504	30.5
398.13898	2.9
415.14587	8.2
491.28632	0.6
500.37622	0.6
508.02200	0.6
607.26044	0.7
667.55713	0.6
811.49353	1.2
885.47009	8.9
886.47955	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	885.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	4.8
70.02952	0.7
71.01416	0.8
74.04597	0.7
75.49918	0.6
78.95931	0.8
84.02072	0.7
95.56890	0.6
96.96009	3.5
101.89444	0.7
111.08192	0.8
113.03647	0.7
116.92873	0.9
120.88893	0.6
131.04651	1.3
132.02962	0.7
165.12846	19.1
166.13205	1.6
166.32509	0.6
183.13896	95.4
184.14227	4.5
186.35820	0.7
209.11809	4.8
210.12144	0.9
211.13376	4.8
225.11276	0.9
227.12875	100.0
228.13174	6.6
263.08112	0.7
316.66336	0.7
469.61395	0.7
621.32745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98539	1.5
61.98831	24.3
71.01378	15.9
71.50354	1.3
72.99277	0.9
73.02937	2.5
80.47600	0.7
81.03445	1.2
83.01381	1.8
83.05025	1.8
85.02942	4.3
87.00880	3.9
89.02444	12.9
95.01377	1.8
95.05038	0.9
96.96015	9.3
97.02941	2.4
99.00834	0.9
101.02446	10.0
109.06580	1.6
110.45352	0.8
111.08161	1.0
111.92959	0.8
113.02450	6.7
119.03503	3.4
123.89211	0.8
125.02418	4.6
143.03467	1.3
145.06183	1.7
159.41322	0.8
161.04509	3.0
165.12900	1.0
167.10873	0.8
171.10350	4.0
179.05614	3.9
179.14372	1.0
183.13898	5.9
184.14302	0.8
193.12352	1.5
195.13898	7.3
196.14110	1.0
197.11781	0.9
209.11784	13.5
210.12398	1.1
211.13383	71.1
212.13741	4.8
212.92961	0.9
221.06630	0.9
223.13419	5.1
225.15015	1.0
227.12845	1.1
235.08284	6.1
237.15022	1.0
239.12891	1.0
241.14456	1.7
253.09259	7.3
256.13129	1.9
275.20108	6.8
277.21686	4.7
287.07721	1.4
287.16586	2.7
289.18103	9.1
290.18274	1.1
291.19699	2.3
293.21219	100.0
294.21527	9.4
305.17535	5.1
306.17709	0.8
307.19083	2.0
309.20798	4.2
327.21713	3.6
339.25275	1.0
341.23224	3.5
357.26523	3.5
379.12384	3.6
397.13486	34.7
398.13791	1.9
415.14560	13.3
591.26501	1.1
609.27850	4.9
673.34241	0.9
691.34906	1.3
836.71893	1.0
885.46960	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	884.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.96238	1.9
70.68127	0.5
71.01383	0.9
73.02962	0.2
79.95738	5.2
80.96530	0.5
82.32427	0.2
85.02966	0.4
87.00842	0.2
89.02463	0.7
96.96011	0.4
97.02954	0.2
97.06593	0.2
99.00930	0.2
101.02458	0.7
109.06561	0.2
111.08164	0.3
113.02454	0.3
116.92873	0.6
125.02441	0.3
125.09668	0.2
171.10295	0.6
183.13893	0.2
197.11781	0.9
199.09837	0.2
199.13429	0.7
207.10330	0.5
209.11876	0.4
211.13422	0.7
215.12860	2.7
217.35748	0.2
217.93370	0.2
225.11436	0.5
227.12929	0.7
235.08357	0.2
253.09248	0.9
277.21805	0.8
291.19687	1.6
292.20148	0.5
293.21225	1.7
294.21545	0.2
305.17801	0.2
309.20715	1.5
310.21008	0.2
318.83685	0.2
355.24866	0.9
356.25266	0.5
397.13708	0.9
415.14639	0.2
504.23090	0.2
759.39178	0.3
884.47711	0.6
885.46576	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	885.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	18.9
71.51088	1.3
83.01382	8.9
95.01372	1.0
107.01392	23.5
108.01709	1.1
109.02966	1.6
122.27333	0.7
123.00849	1.2
123.04522	8.8
124.01654	3.1
125.02451	28.8
126.02806	1.4
133.02965	2.3
135.04520	2.7
137.02448	1.0
139.00342	0.7
149.02451	3.6
150.03242	16.6
151.00369	100.0
151.04008	21.0
152.01155	20.3
152.04301	1.0
152.79028	0.8
153.01990	4.1
169.01372	1.6
174.03186	1.2
175.03996	5.8
176.01155	1.6
177.01903	6.9
178.02362	0.8
178.99846	21.9
180.00320	0.9
189.05557	1.9
199.03973	4.0
213.05652	0.7
217.05042	3.7
231.06622	0.8
241.05037	3.5
243.03062	1.0
257.04608	1.7
259.06155	1.5
275.05609	1.8
283.08234	0.8
285.04044	59.8
286.04404	4.6
297.09702	1.7
302.04300	2.4
303.05087	51.1
304.05533	4.1
309.06171	1.5
323.07428	1.0
331.07785	0.8
435.09308	47.5
436.09387	5.4
449.10876	28.6
450.11270	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	884.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98534	0.1
70.24339	0.3
119.51736	0.1
134.02382	0.1
166.76347	0.1
334.94641	0.1
834.03882	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	884.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.95488	0.1
62.98526	0.2
78.77247	0.1
82.62895	0.1
86.49442	0.1
98.19921	0.4
98.20644	0.3
98.75408	0.1
128.76163	0.1
178.48126	0.1
230.21141	0.1
249.76660	0.1
251.71988	0.1
269.01102	0.1
317.60788	0.1
621.70770	0.1
823.45026	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	884.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.34500	0.9
69.34808	0.1
90.57415	0.1
98.19951	0.3
181.31857	0.1
201.59380	0.1
371.28455	0.1
659.81647	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	884.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.17025	0.1
62.40440	0.1
62.98505	0.2
63.99258	0.2
71.33582	0.2
73.49990	0.1
78.91880	0.2
78.95914	0.6
79.95770	0.1
96.96024	0.3
96.96962	0.2
206.53038	0.1
211.13441	0.1
241.01260	0.2
255.23303	0.2
384.32855	0.1
400.42667	0.1
455.96384	0.1
530.81714	0.2
617.52576	0.1
678.17291	0.1
884.52240	0.7
885.48486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98530	0.2
69.90070	0.2
69.90478	0.3
70.02926	0.1
70.03326	0.1
83.05047	0.1
85.73666	0.1
89.02425	0.1
98.20034	0.1
116.92917	0.1
120.82452	0.1
205.71861	0.1
207.10414	0.1
209.11833	0.6
225.11331	0.1
242.50101	0.1
277.21878	0.2
293.21426	0.1
368.74930	0.1
397.13574	0.2
443.62772	0.1
501.84366	0.1
884.47888	0.2
885.47046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98533	0.1
67.53787	0.1
70.92094	0.1
70.92461	0.1
87.00802	0.1
118.88747	0.1
159.82370	0.1
235.41977	0.1
274.25732	0.1
303.60580	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	882.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98542	0.2
65.20513	0.1
71.01384	0.2
75.00875	0.2
77.52407	0.1
78.91895	0.2
80.96522	0.2
85.02972	0.1
87.44904	0.1
89.02449	0.1
101.02430	0.1
106.19683	0.1
106.20569	0.1
168.08829	0.1
193.19746	0.1
209.11919	0.2
213.08232	0.1
277.21936	0.3
278.22128	0.2
293.21185	0.2
295.23019	0.2
397.13708	0.1
518.04291	0.1
549.46167	0.1
578.13007	0.1
787.54468	0.1
882.50958	0.2
883.45032	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	882.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.2
66.67295	0.1
68.99580	0.6
73.03030	0.1
75.00859	0.3
78.91893	0.4
80.96516	0.2
89.02464	0.2
96.96006	0.1
97.02961	0.2
98.19882	0.3
101.02426	0.2
112.98582	0.6
148.05431	0.1
193.16081	0.2
209.11890	0.5
210.12180	0.2
227.12885	0.1
235.08348	0.2
255.23308	0.3
259.27414	0.1
277.21771	0.6
278.22177	0.2
293.21274	0.6
311.22369	0.2
509.64972	0.2
882.51318	0.4
883.46753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98531	0.6
69.48868	1.8
69.49290	1.2
71.01394	1.2
71.64455	0.5
85.02945	2.3
89.02476	0.6
92.81866	0.5
101.02454	1.1
102.65261	0.5
113.02457	0.6
161.04660	0.7
171.10248	6.9
171.11662	0.5
197.11832	0.8
209.11839	0.5
211.13435	1.7
215.51733	0.6
229.14632	0.7
235.08224	1.1
253.09271	6.4
277.21698	10.6
278.22086	0.8
291.19708	1.5
293.21381	1.5
295.22708	4.2
309.20700	5.2
311.22495	1.1
327.21735	16.5
328.22165	1.4
520.71790	0.5
545.29846	1.8
563.30988	1.9
587.43341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.86251	0.1
62.98542	0.2
64.35234	0.1
68.99559	0.2
69.03435	0.1
71.01385	0.4
71.50486	0.1
71.50898	0.3
78.95928	0.2
96.95998	0.6
97.06623	0.2
101.02457	0.2
112.98585	0.3
116.92874	0.2
141.01703	0.2
143.07158	0.3
165.02103	0.1
169.12401	0.3
171.10341	0.3
186.41516	0.1
188.23367	0.1
197.11832	0.3
209.11908	0.4
253.09378	0.5
265.75955	0.2
279.19705	0.2
283.48135	0.1
289.06909	0.2
291.19815	0.2
293.21402	0.3
294.21625	0.2
307.19211	0.2
309.20532	0.7
337.23911	0.2
341.23376	0.2
355.24860	0.8
363.29742	0.2
474.46930	0.2
757.40454	0.5
760.78967	0.2
883.48218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98545	0.2
98.20093	0.6
111.08269	0.1
140.13564	0.1
142.42282	0.1
142.79720	0.1
211.21603	0.1
290.18317	0.1
293.21405	0.3
294.21634	0.1
401.23035	0.1
449.27161	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	882.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98529	0.2
66.06477	0.2
69.34212	0.9
72.20268	0.1
83.57270	0.1
90.32861	0.1
123.28365	0.1
171.10312	0.2
253.09305	0.2
277.21689	0.2
293.21295	0.2
294.21677	0.2
327.21832	0.1
388.30023	0.1
501.01477	0.1
590.84363	0.1
815.64209	0.1
919.24933	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	881.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	42.7
69.43097	9.8
69.43519	9.5
71.01382	23.4
85.02947	3.6
89.02448	19.4
94.25245	3.5
95.40084	2.7
96.07250	2.7
96.37240	2.8
96.86909	2.8
97.02982	4.6
101.02441	14.8
102.77177	2.9
107.97393	2.7
110.46224	2.6
110.80879	2.7
113.02403	6.6
119.03504	2.9
125.02432	3.4
127.11301	4.7
143.03488	3.6
156.13687	3.0
161.04523	6.4
165.12877	3.6
171.10260	7.3
179.05716	3.0
195.13947	9.7
195.95184	2.8
197.11815	9.7
201.11314	40.9
207.10289	3.9
209.11838	53.4
210.12239	4.0
211.13396	8.9
215.43239	2.6
223.13324	6.2
227.12892	9.8
235.08151	7.7
240.89409	2.9
247.20755	3.7
253.09297	34.3
255.23305	48.3
256.23669	4.9
275.20184	6.7
277.21729	7.8
291.19720	29.7
293.17914	6.0
293.21222	100.0
294.21426	7.6
309.20691	67.3
310.21185	5.0
369.26367	5.9
379.12332	4.1
397.13565	35.9
398.13950	4.6
415.14395	7.8
545.29150	4.0
554.49500	3.2
653.37366	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	881.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.01540	0.9
69.03439	0.6
71.01378	6.2
71.50055	0.6
72.99307	1.8
73.02969	0.7
85.02950	1.8
87.00874	1.6
89.02447	4.5
99.00917	0.8
101.02457	3.8
108.60221	0.6
112.98814	1.7
113.02452	2.6
115.00372	1.6
119.03541	1.2
121.10234	1.2
125.09727	2.0
142.99921	1.6
143.03505	1.1
161.04588	1.3
171.10284	5.9
172.10707	1.2
174.01686	3.2
175.02347	0.7
185.11879	1.3
195.13960	2.8
197.11880	0.8
201.11261	5.3
202.11707	1.8
207.10489	0.8
209.11845	5.0
211.13376	24.2
212.13803	1.9
223.13402	4.0
225.11430	2.5
226.11627	1.3
235.08250	1.8
253.09245	8.1
254.09593	1.0
255.23270	6.5
256.23630	4.0
257.23947	1.2
275.17569	0.7
275.20117	3.7
277.21716	5.4
289.18076	1.3
291.19653	19.1
291.23016	1.0
292.19897	0.9
293.21216	33.3
294.21542	4.0
309.20715	2.1
380.12836	1.0
397.13550	5.1
398.13748	1.7
399.14124	1.1
447.22440	1.2
471.87939	0.8
527.28784	2.7
529.30096	1.2
539.24347	0.8
589.89551	0.7
763.43561	0.7
803.50415	1.3
863.48755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	25.9
68.99573	1.2
70.92318	1.2
71.01362	1.6
72.99310	5.2
75.00870	100.0
76.01213	0.9
80.96539	0.9
94.98072	0.7
101.02409	0.8
112.98595	0.8
122.55834	0.6
168.87723	0.7
175.16454	0.6
185.11960	0.9
195.13936	0.7
209.11839	0.9
223.13524	1.8
253.09286	1.8
255.23326	1.1
277.21829	1.5
289.18112	1.6
291.19662	1.2
293.21231	6.6
295.22690	2.7
307.19208	0.9
309.20804	1.3
353.91156	0.8
397.13492	1.2
526.27551	0.9
551.02716	0.6
881.50037	2.5
882.50812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	48.0
70.91995	2.8
71.01383	7.8
75.47998	1.3
89.02447	5.0
97.02945	6.1
101.02453	4.7
112.57578	1.5
113.02451	3.3
117.00822	1.5
137.09810	1.4
161.04556	2.8
163.11201	2.3
165.12819	1.6
171.10262	5.9
174.12418	1.6
179.05634	2.1
181.62439	1.4
195.13899	7.7
197.11803	5.2
201.11383	10.4
209.11824	11.5
211.13394	2.2
223.13390	4.7
227.12866	2.3
235.08148	4.9
235.21663	1.5
247.20659	2.7
253.09267	25.7
255.23228	11.8
256.23590	2.1
275.20209	5.0
291.19666	28.0
292.19891	2.2
293.21219	100.0
294.21600	9.2
309.20734	61.2
310.21024	6.0
379.12189	2.1
397.13669	9.5
415.14603	2.6
529.30103	2.3
545.29425	3.1
564.21594	1.6
585.41595	2.6
881.51007	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	879.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	5.9
63.96230	2.3
66.32430	0.8
66.89439	0.8
68.27095	0.8
69.03464	1.8
70.60230	0.8
70.66611	0.7
71.01379	10.0
73.02961	1.9
76.37070	0.7
78.95906	14.1
78.98593	7.7
79.95737	22.9
80.96518	97.1
85.02946	4.0
87.00925	4.1
94.98087	23.3
96.96006	2.8
96.96960	4.3
97.02953	1.6
98.19930	1.8
99.00888	1.1
101.02430	3.0
106.98080	4.7
122.97569	5.0
125.02461	5.5
127.03980	1.4
134.97601	7.4
136.99112	1.8
138.06982	0.7
138.96964	0.7
146.97632	0.9
148.99147	7.7
152.98561	6.8
152.99631	3.3
161.04601	0.8
164.98628	14.7
167.00246	0.8
171.10309	1.4
203.27536	1.0
206.99706	3.9
223.00099	1.5
225.00720	25.7
226.00911	1.1
240.31393	0.8
241.01273	5.8
255.23260	8.9
256.23663	1.5
297.03976	1.7
418.57236	1.0
537.27136	2.1
584.09528	0.8
623.27496	1.6
656.28369	0.9
704.94238	1.0
709.38776	3.5
793.43079	1.2
861.48108	3.7
879.50995	100.0
880.51361	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	37.5
64.55468	0.4
69.03437	3.2
71.01380	18.8
71.05006	0.8
71.18031	0.4
71.18376	0.7
72.01734	0.3
72.99300	1.8
73.02944	2.6
75.00859	1.7
80.96513	0.7
81.03450	1.0
83.01379	2.3
83.05044	0.7
85.02956	4.4
87.00881	4.2
89.02445	16.5
93.03476	0.5
95.01379	1.9
95.05042	0.4
97.02937	2.9
97.06578	0.3
99.00893	1.0
101.02439	15.5
103.09011	0.3
107.55343	0.4
109.06596	0.7
111.00920	0.5
111.04532	0.5
111.08170	0.5
113.02451	8.8
119.03479	3.8
125.02457	5.7
125.09725	0.5
127.03987	0.4
131.03484	1.0
133.05067	0.6
139.03999	0.6
141.01895	0.5
141.09279	0.5
143.03491	3.1
149.04501	0.4
149.09698	0.7
150.16576	0.3
151.11223	0.5
153.04919	0.4
153.09210	0.5
161.04546	4.5
161.13342	0.4
164.07222	0.3
167.10756	3.4
169.12343	0.6
177.12804	1.0
179.05629	6.4
179.10739	1.2
179.14418	2.8
195.13890	11.1
196.14311	0.7
197.11848	0.5
205.12332	7.8
206.12717	0.8
211.13249	0.6
215.53288	0.4
217.07245	0.8
221.06657	2.2
223.13382	100.0
224.13739	5.6
225.11116	0.3
235.08252	6.2
241.60080	0.4
253.09232	2.1
255.23288	1.5
259.08163	0.4
263.07697	0.8
265.14468	0.5
277.21704	57.0
278.22049	4.9
287.07693	1.5
289.18115	1.2
291.19720	1.0
291.23297	0.4
293.21259	3.4
295.22833	2.8
305.08759	2.3
307.19077	0.8
309.20724	1.6
323.09790	1.7
325.16473	0.4
379.12418	6.3
380.12842	0.6
397.13483	46.4
398.13849	3.7
415.14572	10.5
416.14682	0.7
427.19733	0.4
441.20871	0.4
603.26648	6.7
604.27234	1.3
621.27594	9.4
622.28021	1.5
625.89056	0.4
657.34564	0.6
675.36298	1.3
711.71429	0.4
725.84052	0.4
881.50525	3.1
882.49860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.4
70.24120	1.2
70.97495	2.6
71.01381	11.9
73.02935	1.6
75.25337	1.1
76.26022	1.2
77.78890	1.1
80.08554	1.3
81.03444	1.8
85.02929	2.2
87.00871	2.4
89.02452	8.5
94.32907	1.2
95.05019	1.8
97.02993	2.0
97.06587	3.0
101.02462	8.1
113.02440	4.3
119.03484	2.9
125.02404	1.6
125.09712	3.4
127.51158	1.3
137.09784	2.8
161.04532	2.8
161.09750	1.2
163.11276	4.1
171.10262	8.5
179.10843	1.8
181.12300	2.0
185.11839	3.6
189.06456	1.1
191.14401	5.4
195.13893	7.3
197.11850	3.2
198.12056	1.6
201.11339	2.5
207.10229	3.8
209.11775	11.4
211.13354	2.1
223.13327	6.0
225.11302	6.3
235.08289	3.4
237.11301	3.7
242.21219	1.3
245.19153	12.7
247.84952	1.2
253.09247	23.0
255.23253	12.2
256.23605	2.4
263.20157	3.1
271.16901	1.4
275.20190	5.7
289.18079	65.1
290.18362	4.9
293.21216	100.0
294.21518	10.0
307.19107	54.7
308.19449	5.4
375.74738	1.3
379.12210	1.6
397.13422	5.5
521.04590	1.5
525.26917	3.1
543.28009	2.5
544.58557	1.2
623.62445	1.3
879.48474	14.7
880.48706	2.1
888.48932	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	879.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	39.0
71.01382	17.0
72.99298	6.3
73.02948	2.0
78.95914	1.9
85.02947	2.9
87.00856	3.2
89.02445	4.9
96.04263	1.4
97.06584	3.8
101.02433	5.9
111.08109	3.3
113.02457	3.5
125.02437	2.0
143.03499	1.3
151.11256	5.8
160.48715	1.4
161.04518	2.5
163.11272	3.2
165.12820	6.5
167.10751	2.3
171.10236	6.6
181.12332	6.1
191.10754	2.0
191.14342	2.0
195.13881	11.1
201.11194	2.0
207.10208	2.1
209.11824	17.0
211.13377	3.8
223.13383	5.6
225.11287	4.5
227.12865	5.4
228.12987	1.5
235.08170	5.5
245.19048	5.6
253.09271	16.3
255.23187	11.4
256.23505	2.4
263.20071	9.3
275.20166	7.4
277.21750	3.0
287.16525	1.7
289.18097	16.5
291.19730	2.4
293.21213	100.0
294.21609	8.3
294.24359	1.6
295.22717	5.0
307.19147	38.4
308.19394	4.7
392.66302	1.5
397.13245	2.0
424.18735	1.7
445.20685	7.5
496.25299	1.5
525.26959	2.1
543.28192	8.3
721.41461	5.3
819.48999	5.2
879.49597	9.0
880.48865	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	879.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	15.3
67.89623	1.5
71.01379	14.9
71.05014	1.4
73.02969	2.8
83.01360	1.8
83.04988	2.1
85.02938	3.4
87.00867	3.0
89.02440	8.8
95.01392	1.4
95.05010	1.9
97.02937	2.1
97.06606	4.4
98.20676	3.2
101.02435	7.7
109.06578	2.1
111.08118	1.8
113.02459	5.5
119.03467	1.6
125.02477	3.1
125.09631	1.6
143.03493	2.3
151.11278	3.3
155.10771	1.7
161.04485	3.0
161.09663	1.7
161.43654	1.3
163.11311	1.8
165.12837	6.0
166.94704	1.3
167.10832	1.6
169.12366	1.8
171.10262	17.8
177.12750	1.5
179.05612	3.2
179.10817	2.4
181.12331	4.9
190.40921	1.6
191.10771	3.1
191.14417	2.2
195.13913	10.6
196.14622	1.8
197.11757	1.6
201.11295	3.5
205.12241	2.0
207.10274	3.1
209.11813	17.5
211.13531	3.3
223.13383	5.8
225.11308	6.4
227.12869	5.4
235.08183	4.6
245.19115	5.3
253.09367	15.1
255.23291	21.3
256.23764	2.4
263.20084	9.0
275.20117	6.6
289.18140	11.2
290.18512	2.0
291.19983	1.7
293.21231	100.0
294.21509	11.2
307.19141	42.8
308.19482	6.0
309.20874	1.5
379.12509	2.8
397.13477	11.0
398.13644	2.1
415.14651	3.2
445.20636	8.3
471.41278	1.3
507.34464	1.6
525.26898	3.5
543.28088	12.7
544.28143	1.5
549.45532	1.5
721.41260	7.1
762.26086	1.4
819.48523	7.9
820.49878	2.3
861.50110	1.9
879.50409	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	879.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	9.3
66.38747	1.7
69.03438	3.4
71.01378	27.6
72.99309	2.0
73.02936	6.3
81.03452	2.5
83.01380	4.3
84.72553	1.5
85.02971	8.8
87.00877	3.8
89.02444	16.8
89.86924	1.8
95.01383	3.0
95.05044	3.6
97.02940	4.7
97.06573	5.8
98.19907	6.4
99.00884	7.3
101.02432	17.9
109.06586	2.4
111.08123	2.2
113.02461	9.6
119.03462	4.7
121.06594	2.4
123.08152	2.0
125.02409	5.1
125.09713	5.2
127.03973	1.7
127.11333	2.2
135.08218	1.9
137.09782	2.1
143.03548	3.5
149.03644	1.8
161.04541	2.9
161.09688	2.1
163.11299	11.6
166.31047	2.0
167.09309	1.7
171.10255	22.4
178.98573	2.2
179.05562	2.5
179.10753	2.5
179.14330	2.4
181.12314	5.0
185.11816	5.5
191.14392	8.6
195.13847	7.7
197.11816	5.0
199.13380	3.2
201.11310	10.4
207.10278	18.8
209.11772	8.7
221.06543	2.0
223.13367	6.8
225.11305	31.5
226.11452	2.0
229.08633	2.0
235.08260	11.1
237.11287	3.3
243.12306	6.0
245.19115	16.7
253.09315	31.0
255.23260	49.3
256.23621	3.7
271.16995	2.2
275.20087	9.6
276.20358	3.1
289.18088	79.5
290.18317	7.2
291.19635	21.2
292.20132	2.2
293.21213	100.0
294.21527	21.1
295.21912	4.0
307.19165	69.8
308.19415	5.0
309.20566	6.5
309.24167	2.0
310.20926	2.4
379.12369	5.0
397.13486	24.3
398.13510	2.4
415.14597	4.7
439.14389	2.7
473.10568	1.9
500.79953	2.1
543.28424	3.3
605.25800	3.7
623.25299	3.5
861.48425	11.7
862.48785	4.7
879.49335	40.1
880.50073	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	879.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	7.9
69.03446	1.4
70.97440	1.7
71.01380	19.6
71.05003	2.4
73.02934	4.0
81.03445	1.3
83.01390	2.9
83.05037	0.8
85.02953	5.9
85.26042	0.7
87.00887	3.8
89.02444	15.0
95.01404	1.8
97.02951	6.8
97.06565	2.1
99.00885	12.9
101.02441	12.7
103.04054	0.7
109.06604	2.2
110.03751	1.0
111.04497	1.0
111.08137	1.1
113.02449	6.8
119.03478	3.2
123.08177	0.9
125.02431	3.1
125.09726	5.9
135.08138	1.0
139.03935	0.8
142.02682	0.9
143.03477	2.4
145.05052	0.8
159.95984	0.7
161.04543	2.8
163.11299	9.6
168.79837	0.8
171.10269	11.8
179.05547	2.2
181.12337	13.4
186.03201	0.7
195.14030	1.6
197.11812	2.4
199.13385	9.9
200.13838	0.9
201.11320	6.0
206.40581	0.7
207.10257	28.2
208.10617	1.3
217.07201	0.9
221.06621	2.7
225.11324	43.6
226.11615	2.6
235.08224	4.1
243.12383	10.1
247.20515	0.9
253.09233	3.8
255.23293	63.4
256.23615	6.5
289.18011	2.5
291.19662	24.4
292.19992	2.4
293.21243	3.6
294.21399	1.8
305.08920	0.9
307.19183	1.8
309.20679	9.4
379.12317	2.0
397.13562	17.2
415.14767	4.2
439.14731	1.1
527.28455	2.1
605.24335	2.7
623.24945	2.3
653.37689	0.9
763.19629	0.9
861.48431	16.5
862.49005	3.2
879.49542	100.0
880.49780	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	20.3
69.03458	3.0
69.90269	4.1
71.01381	39.7
71.05019	1.1
72.99295	3.5
73.02939	9.5
75.00864	1.9
75.47684	1.0
80.02682	1.2
81.03461	2.7
82.94086	1.1
83.01390	4.4
83.05038	2.1
85.02951	13.1
87.00878	11.0
89.02448	28.7
93.03421	1.3
95.01377	3.2
95.05028	2.0
97.02930	8.4
97.06583	3.1
97.96151	1.3
99.00893	9.6
101.02441	24.3
109.02878	1.3
109.06606	7.8
109.80975	1.1
110.03748	1.9
111.04502	2.8
113.02440	15.9
114.93380	1.5
116.02001	1.0
116.26281	1.1
119.03472	7.5
120.58288	1.0
123.08096	1.6
125.02455	10.9
125.09710	6.3
127.11298	4.1
127.19468	1.2
131.03532	1.1
135.08057	1.2
137.09735	1.4
139.03925	1.4
141.01930	2.7
143.03496	5.2
149.09671	1.6
155.10716	2.1
156.45087	1.1
161.04568	6.3
163.11284	9.3
167.10742	1.4
171.10266	51.3
172.10579	2.4
179.05637	6.0
181.12358	5.4
185.11809	4.1
189.09077	1.4
195.13829	1.6
197.11844	7.3
197.31416	1.3
199.09738	3.9
199.13312	2.0
201.11320	37.0
202.11610	2.2
207.10240	27.5
208.10602	2.9
209.11781	3.5
211.13368	1.7
215.12909	4.3
217.07162	1.4
221.06584	4.3
225.11317	54.5
226.11613	3.0
235.08235	10.4
235.17027	2.4
243.12360	10.5
245.19055	3.6
253.09242	8.9
255.23285	100.0
256.23618	9.7
275.20255	5.1
287.07632	1.5
289.18109	10.4
291.19705	12.3
293.21234	20.0
294.21613	2.1
305.08801	2.1
307.19153	9.4
309.20801	6.4
318.50076	1.3
323.09717	2.7
355.06033	1.3
379.12485	12.9
397.13474	60.2
398.13837	5.5
415.14581	13.7
439.14716	7.3
527.28314	1.7
605.24463	5.2
623.25568	5.3
635.35815	1.5
641.26392	1.4
644.87048	1.2
653.37701	4.2
695.38391	1.9
819.48712	1.8
835.46411	3.4
861.48761	12.7
862.48846	4.4
879.49475	33.1
880.49963	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	877.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98537	7.8
61.98833	100.0
67.18025	4.7
71.01366	10.9
72.99320	6.3
78.95917	5.8
87.02483	4.4
88.98799	20.1
89.02516	6.9
96.95965	6.0
98.20291	6.3
99.00891	6.2
101.02438	4.9
105.01917	9.9
116.07775	4.1
116.92841	12.9
122.89606	5.7
125.02439	9.8
137.51167	4.3
139.37404	4.6
161.04538	4.7
171.10216	20.8
201.11366	5.9
201.39003	4.9
229.14235	4.5
235.08195	11.4
253.09264	34.2
253.21736	15.1
265.14734	13.0
277.21722	10.7
291.19687	5.9
293.21243	8.3
295.22748	80.5
296.23059	5.3
309.20724	6.3
322.95645	5.0
327.21805	40.3
397.13272	7.7
520.62988	5.3
531.31409	10.2
724.88727	5.6
841.51764	6.6
877.50409	33.3
878.52216	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	878.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.48386	0.3
71.49747	0.5
74.46253	0.4
78.95908	2.4
79.57555	0.3
79.95747	0.7
80.96523	1.6
81.56996	0.3
89.75398	0.3
94.98129	0.4
96.96968	0.4
99.92622	0.4
121.46442	0.3
155.19231	0.3
225.00685	0.8
241.01154	0.6
242.29428	0.3
255.23251	0.9
327.18677	0.4
407.43295	0.4
593.18182	0.4
760.83276	0.4
878.34631	0.5
879.48883	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	879.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.96245	1.8
71.01385	11.0
78.95905	13.6
78.98586	7.0
79.95738	50.3
80.96517	92.1
85.02936	4.3
87.00879	2.5
94.98087	22.6
96.95986	2.6
96.96957	2.6
97.02927	2.5
101.02416	3.2
106.98101	5.6
122.97598	11.1
125.02528	2.1
132.05112	1.8
134.97594	10.8
136.99232	2.9
148.99147	9.6
152.98601	6.9
152.99667	3.4
164.98601	13.3
171.10229	1.8
206.99657	5.7
225.00710	24.2
241.01079	7.2
255.23297	10.1
271.08954	1.8
297.03778	2.2
425.14877	2.3
537.27338	3.4
709.38397	58.5
710.38690	10.9
737.41083	3.7
765.41052	7.0
766.41382	2.4
781.40369	6.8
861.47607	3.2
879.48865	38.9
880.49225	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	875.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	14.2
63.20767	0.9
64.82286	1.0
66.24291	0.8
69.03464	1.1
69.83487	5.2
71.00993	1.6
71.01380	15.3
72.99310	1.5
73.02948	1.8
78.02627	0.8
81.03426	1.3
83.01383	1.9
83.04992	1.7
85.02946	5.2
87.00843	3.3
89.02439	12.3
95.01334	0.8
95.05010	1.0
97.02957	2.7
97.06568	1.4
98.19997	1.0
99.00874	1.4
101.02449	11.0
113.02448	6.0
116.92806	1.0
119.03473	2.7
125.02436	2.4
130.51915	0.9
159.11765	2.0
161.04494	2.4
177.12814	8.5
179.05576	1.3
195.13892	38.6
196.14197	1.9
207.10291	1.8
221.06686	2.1
221.11795	1.9
225.11327	1.0
229.14621	0.9
235.08249	2.5
239.12854	4.0
255.23267	46.6
256.23581	3.7
397.13406	8.7
415.14194	2.5
619.26001	1.1
875.50092	100.0
876.50458	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.2
62.80492	0.5
65.41008	0.5
66.39562	0.5
69.03459	4.9
71.01381	14.1
71.04998	1.7
72.99297	1.0
73.02937	2.3
81.03471	0.7
83.01388	1.5
85.02935	3.2
87.00867	2.3
89.02449	10.3
92.91283	0.5
95.01398	0.9
95.05969	0.5
97.02938	2.3
99.00881	1.3
101.02453	7.6
113.02459	3.9
119.03506	2.2
123.08100	0.9
125.02433	1.9
125.09685	2.5
143.03445	0.9
149.09737	0.5
151.11270	2.9
153.12781	0.6
161.04523	1.4
161.09694	3.6
179.05608	0.7
179.10751	4.9
197.11821	34.6
198.12193	1.6
215.17365	0.6
221.06715	1.2
223.09734	1.3
224.55157	0.5
235.08156	1.3
241.10863	2.1
255.23293	46.4
256.23642	3.7
397.13486	2.5
415.14453	0.9
441.25302	0.6
621.24231	0.6
639.25916	0.6
877.47980	100.0
878.48273	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	875.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	4.1
70.09144	13.4
85.02940	3.7
91.04015	3.7
98.20657	4.0
102.14541	4.4
110.54121	3.3
153.12709	3.8
167.99374	3.6
171.10211	9.3
223.13361	5.3
229.14410	4.4
235.08157	7.9
253.09271	39.2
254.09764	5.1
291.19641	5.2
293.21204	100.0
294.21515	12.6
309.20618	6.0
327.21768	90.9
328.22107	6.4
346.48581	3.9
529.30090	9.5
545.29944	5.1
563.30609	23.7
594.43378	4.6
839.51819	10.4
875.49146	38.4
876.49292	11.0
880.47321	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	873.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.9
65.27245	0.3
69.03456	2.0
71.01376	3.5
71.08057	0.4
73.02949	0.5
82.79163	0.2
83.01374	0.7
83.05019	0.6
85.02453	0.5
85.02950	7.5
86.72380	0.2
87.00875	0.7
89.02430	2.4
95.05041	0.4
96.96003	0.7
97.02953	1.1
97.06590	2.2
101.02448	2.2
109.06592	0.3
113.02467	1.5
116.92837	0.5
119.03493	0.6
119.08661	0.3
121.02919	0.4
125.02426	0.6
125.09711	1.2
127.11304	1.5
129.56264	0.2
133.05252	0.3
134.40323	0.2
137.09732	2.2
145.05144	0.3
155.10754	0.8
155.14415	0.4
161.04527	1.6
165.12842	0.5
171.10262	25.7
171.22801	0.2
172.10559	0.8
177.12833	0.7
179.05594	0.4
181.12398	0.3
183.13898	1.8
185.11861	0.9
193.12331	0.5
197.11819	0.3
201.11325	1.0
209.11841	1.1
211.13382	11.3
211.34088	0.2
212.13704	0.6
221.11792	2.3
227.12865	0.4
229.14432	8.0
229.16702	0.5
230.14717	0.3
235.08214	1.2
239.12857	1.4
247.20616	0.3
253.09282	16.7
254.09618	0.7
291.19629	3.3
292.19876	0.3
309.20660	2.3
314.74585	0.3
327.21744	100.0
328.22076	10.6
563.30664	9.5
564.30792	1.3
619.41968	0.6
637.43170	2.9
638.43549	0.7
668.95361	0.3
670.09290	0.3
716.58673	0.3
873.51343	0.4
874.51056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	5.3
68.73568	0.5
69.03477	0.7
71.01364	1.0
71.51296	0.6
72.99284	0.8
73.29089	0.4
81.03463	2.1
83.01389	3.5
91.89203	0.4
93.03443	1.0
93.43456	0.5
95.01403	1.0
95.05011	1.1
97.02956	2.1
107.01389	7.1
108.02174	2.2
109.02953	63.4
110.03307	1.8
111.00867	0.6
111.04510	1.2
115.04017	1.8
121.02946	1.5
122.36076	0.6
123.04546	7.1
124.01652	1.0
125.02448	23.9
126.02787	0.9
127.04030	2.0
133.02940	0.8
134.03723	1.3
135.04482	2.0
137.02438	9.2
139.04024	1.8
145.02986	3.5
149.02414	2.9
149.06113	0.5
150.03258	4.0
151.00372	25.5
151.04016	9.0
152.01163	3.6
153.01936	100.0
154.02283	3.5
155.03503	2.2
159.04500	2.1
160.05298	0.9
161.02414	1.0
161.06052	2.7
162.03233	0.8
164.01138	1.5
165.01923	4.4
167.03462	1.1
169.01453	1.1
175.03989	2.7
175.07643	0.8
177.01924	1.6
178.99866	5.0
179.03476	3.1
185.06049	1.5
187.04031	3.0
188.04765	1.9
193.05028	1.3
199.02420	1.5
199.04047	0.6
199.07758	0.5
201.05402	0.6
202.06271	1.0
203.07172	5.1
205.05067	3.9
217.05069	1.0
221.08208	1.1
227.07114	1.2
229.04924	0.8
230.05835	0.6
231.05013	3.0
241.05043	1.0
243.06541	0.7
245.08182	9.7
246.08311	0.5
253.05055	1.7
259.06140	0.6
271.06104	11.6
272.06485	0.7
275.05655	1.5
285.04034	12.1
286.04257	1.0
287.05533	1.1
289.07175	63.4
290.07535	5.6
297.10025	0.6
300.02646	1.0
301.03406	0.7
302.03870	0.7
303.05106	6.4
304.05032	0.6
393.08316	1.7
425.08755	39.2
426.09167	3.9
431.69754	0.5
447.09229	1.0
448.09540	1.4
449.10852	14.2
450.11136	1.6
464.44293	0.5
489.90891	0.5
507.73456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	9.2
61.98830	92.1
69.96847	22.3
69.97237	13.7
71.01393	26.3
88.04060	8.1
88.98808	32.1
89.02452	21.3
91.65840	8.0
96.96026	12.6
99.92537	9.6
114.05651	7.7
114.88551	7.6
116.92871	100.0
119.89453	7.8
123.98372	7.3
125.02476	11.8
132.03041	25.3
142.78857	8.1
143.03558	7.9
146.04578	26.5
151.04108	8.1
169.12433	8.7
171.10263	22.0
197.11844	48.8
197.13368	7.6
205.41635	9.3
209.11861	13.9
210.12210	9.4
211.13396	29.0
214.83926	8.8
225.11394	8.9
235.08266	23.8
253.09305	38.4
272.59045	8.6
289.18115	12.7
291.19690	94.5
292.19904	12.9
293.21213	37.1
295.22708	27.5
307.19009	9.1
309.20667	35.8
310.20996	9.7
321.24213	19.1
327.21741	76.5
397.13480	19.1
401.55554	9.1
433.20856	16.9
527.28424	27.4
545.29376	14.2
555.97321	9.0
563.30701	13.9
731.60248	8.4
737.41534	10.3
752.18481	10.8
837.50299	18.1
873.47327	66.1
874.47510	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	872.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98534	0.1
78.95819	0.1
79.95750	0.3
80.96505	0.7
94.35716	0.1
94.98062	0.1
98.20756	0.2
154.44450	0.1
164.98698	0.1
172.40395	0.1
189.99319	0.1
225.00772	0.1
255.93785	0.1
270.04300	0.1
284.13736	0.1
295.22873	0.1
371.59012	0.1
500.21490	0.1
580.81628	0.1
638.05939	0.1
643.04224	0.1
872.49432	0.9
873.49438	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	873.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	45.0
69.77955	3.0
71.01397	5.6
74.32803	3.5
82.25410	2.9
89.63755	4.0
98.19855	8.3
101.02443	5.9
111.08141	3.7
116.92854	7.6
130.65334	3.6
146.04575	3.7
171.10295	4.7
195.13914	7.4
197.11830	10.0
209.11749	9.6
223.13275	5.2
229.22902	5.0
235.08200	5.1
253.09203	24.3
255.02754	3.8
289.18048	28.8
291.19650	100.0
292.20065	8.1
293.21201	67.3
307.19119	26.8
309.20724	56.5
310.21216	7.5
527.28357	7.3
561.07886	4.0
798.83185	4.4
873.47900	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	871.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	33.6
69.03453	2.8
69.27087	1.2
71.01385	10.8
71.05016	1.9
71.51180	1.5
73.02942	2.9
73.64288	1.1
78.88443	1.2
78.95911	5.3
79.95732	2.9
80.02724	1.4
80.91682	2.5
81.03452	1.3
81.43034	1.1
83.05022	4.9
84.02155	1.8
85.02944	13.4
87.00867	2.5
88.04042	5.4
88.98804	1.8
89.02444	7.8
89.78458	1.1
90.14243	1.1
95.02479	2.0
95.05006	2.3
95.52579	1.2
96.96013	73.4
96.96916	6.4
97.02934	3.2
97.06590	5.2
98.95615	1.4
99.04496	1.7
99.92587	1.3
101.02462	8.1
109.06598	3.3
113.02455	5.3
113.03554	7.6
113.06043	1.2
114.01979	5.9
115.00394	2.0
115.07701	1.5
116.92863	7.0
119.03505	2.2
125.02444	2.8
125.09706	5.6
127.07675	2.5
127.11246	2.5
131.04613	16.8
132.03021	13.3
135.08150	2.2
137.02512	1.6
137.09697	4.5
146.04541	2.3
153.09200	8.7
155.10780	1.7
159.83914	1.1
161.04514	4.5
161.97673	1.2
163.11269	3.5
165.12878	2.8
169.05443	1.1
170.31534	1.1
171.10268	50.6
172.10622	1.7
178.09995	1.5
179.05579	1.5
181.12392	1.8
183.13890	4.1
185.11810	3.3
191.14403	1.4
193.12323	2.2
197.11784	6.9
201.11258	2.6
204.31282	1.1
207.10292	1.7
209.11830	34.3
210.12163	1.5
211.13394	22.8
212.13712	1.8
221.11838	1.8
227.12917	2.6
229.14381	11.4
235.08208	7.8
237.14996	2.0
238.12228	1.4
249.14983	1.9
253.09279	31.8
267.16107	1.3
289.18085	8.2
291.19662	5.8
307.19147	39.4
308.19498	4.3
309.20697	9.6
325.20193	46.7
326.20532	3.7
327.21753	100.0
328.22058	8.1
343.21420	5.6
343.24942	1.4
350.23773	1.6
507.90970	1.2
525.27032	1.5
543.28113	10.2
544.28278	2.4
545.29584	3.5
561.29443	5.5
563.30548	7.0
617.40625	2.0
635.41949	1.7
784.42755	2.8
853.50092	9.2
854.49243	1.7
871.49860	4.1
872.48669	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	871.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	44.8
62.87732	0.9
63.96225	2.9
67.44275	1.1
69.03441	1.3
71.01385	8.4
73.02950	2.3
78.07941	1.1
78.95903	9.7
78.98585	7.7
79.65929	1.0
79.95732	19.8
80.96514	100.0
82.96085	2.6
85.02944	3.2
87.00871	3.2
94.98087	19.9
97.02950	3.2
98.53687	1.1
99.92565	1.1
101.02416	2.8
106.98069	2.2
115.95662	1.1
116.92822	2.1
122.97581	4.8
125.02436	3.2
134.97572	5.5
136.99136	3.3
148.99184	6.8
149.00172	1.3
152.98590	6.1
152.99666	1.1
164.98587	11.7
171.94969	1.2
179.89175	1.6
196.89555	1.1
206.99646	2.1
225.00737	19.8
241.01109	2.0
331.50345	1.5
563.28961	1.2
653.82043	1.1
762.99524	1.4
783.39929	1.7
785.40845	3.2
871.48822	92.2
872.49115	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	871.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98536	1.0
63.99271	1.6
68.59582	0.8
71.01374	1.5
79.95734	2.3
80.96512	4.8
82.96070	1.6
95.39230	1.0
101.02467	1.1
107.35226	1.0
136.79393	1.0
141.57654	0.9
155.65796	1.1
209.11769	2.1
211.13345	1.5
230.36707	1.0
255.23225	1.1
277.21750	1.2
281.24759	1.2
291.19803	1.5
293.21167	2.6
323.22232	2.3
397.13626	1.8
604.97479	1.0
751.02661	1.1
871.48688	9.5
872.47833	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	871.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	17.4
68.49432	0.7
68.99562	3.5
69.03452	3.2
71.01387	10.4
71.05001	0.9
72.99311	1.3
73.02947	2.2
75.83476	0.8
78.95906	1.0
79.95716	0.7
80.02670	1.1
81.03444	2.6
82.95401	1.0
83.01370	3.2
83.05025	3.2
85.02950	10.4
87.00880	3.6
87.04508	1.1
88.98812	1.5
89.02441	8.2
95.01369	1.2
95.05028	2.3
96.96011	10.8
97.02952	3.1
97.06583	7.2
98.19875	2.3
99.00865	1.0
99.92596	2.9
101.02441	9.3
111.04484	0.9
111.08177	2.0
112.98579	2.6
113.02435	3.7
114.93387	1.4
116.92857	20.2
117.92904	1.2
119.03480	1.8
123.04539	2.5
123.08154	1.9
125.02453	1.1
125.09715	6.7
127.11269	1.5
133.05125	0.8
135.08134	1.5
136.15260	0.7
137.09746	4.8
141.12831	1.0
145.05017	0.9
146.95905	0.8
151.11235	1.1
155.10751	1.7
161.04564	4.0
163.11302	5.3
165.12805	2.5
167.10704	1.7
169.12323	1.1
171.10271	32.2
172.10625	1.7
177.12860	1.6
179.05638	1.4
179.10782	1.2
181.12337	1.9
183.13849	3.5
185.11853	7.0
191.10820	1.9
191.14346	4.9
193.12349	0.9
197.11833	7.2
199.13402	1.0
201.11336	2.1
207.10262	1.6
209.11823	36.7
210.12123	1.8
211.13405	16.4
212.13640	1.3
215.66486	0.8
221.11871	2.9
225.11290	2.2
227.12906	7.3
229.14418	11.1
230.14900	0.8
235.08145	4.2
237.11295	1.7
239.12805	1.9
245.19110	8.0
247.20642	0.9
253.06650	1.4
253.09271	25.2
254.09686	1.6
263.20074	2.5
271.17038	1.2
283.09641	0.8
289.18100	36.6
290.18445	2.5
291.19647	13.0
292.19989	1.8
293.21240	5.0
294.21524	1.5
307.19141	29.6
308.19415	2.9
309.20688	15.3
310.21091	2.0
325.20050	2.4
327.21741	100.0
328.22141	10.0
343.21210	4.2
358.22739	0.8
734.29590	0.8
871.48322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98537	0.2
65.42603	0.1
158.90773	0.1
184.00325	0.1
191.82082	0.1
275.20267	0.1
445.15552	0.1
801.70361	0.1
838.18329	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	870.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98518	0.2
63.99261	0.1
79.95836	0.1
80.96507	0.2
103.95750	0.1
120.91647	0.1
123.45374	0.1
139.58038	0.1
194.16739	0.1
224.57339	0.1
229.62558	0.1
302.83124	0.1
317.90927	0.1
426.96695	0.1
469.09274	0.1
532.06921	0.1
870.48041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.99266	0.5
70.04836	0.5
70.05229	0.4
78.91901	1.2
78.95914	0.5
79.95755	0.6
80.91685	1.1
80.96513	1.7
94.98081	0.4
98.20663	0.2
107.86447	0.2
135.70244	0.2
225.00705	0.4
241.07465	0.2
673.79327	0.2
752.47577	0.2
870.48969	1.0
871.49677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98535	0.2
65.26561	0.1
70.91655	0.1
70.91998	0.2
79.95726	0.1
80.06511	0.1
108.23812	0.1
120.69279	0.1
171.10287	0.3
171.65118	0.1
172.91734	0.1
211.13451	0.2
255.23210	0.1
594.19037	0.1
871.50922	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	870.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98529	0.2
63.99249	0.2
65.14371	0.1
68.99579	0.6
70.67778	0.2
70.68147	0.3
71.01389	0.3
78.95924	0.1
79.95748	0.3
80.96520	0.2
85.51744	0.2
89.02457	0.1
102.96615	0.1
105.20695	0.1
112.98596	0.4
162.71788	0.1
171.10327	0.3
177.20853	0.2
180.51251	0.1
200.58342	0.1
210.89687	0.1
211.13429	0.7
279.23428	0.3
379.71701	0.1
397.13620	0.4
629.51501	0.1
668.11743	0.2
871.49829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	9.6
68.99564	1.1
69.03455	2.5
71.01381	6.1
71.04984	0.5
72.99316	0.6
73.02954	1.2
78.95897	0.7
80.91682	0.7
81.03455	0.8
83.01363	0.9
83.05028	2.1
84.02155	3.2
85.02952	2.1
87.00885	1.2
89.02454	5.2
95.05024	1.0
96.96001	4.3
97.02935	6.0
97.06596	7.4
98.05722	0.5
99.04544	1.2
101.02436	5.7
102.05585	1.4
103.15488	0.4
107.05044	0.6
109.06596	1.2
111.08150	4.1
112.98553	0.6
113.02450	3.7
116.92860	3.4
119.03472	1.6
119.08655	0.7
121.03046	0.5
121.10226	0.7
123.04585	0.6
123.08178	0.8
125.02446	1.1
125.09706	3.3
127.11275	0.5
128.03525	1.5
134.43549	0.5
135.08125	0.8
137.09695	1.9
139.07616	0.7
139.11304	0.6
143.03537	0.6
145.05098	1.1
145.06158	1.1
146.04607	2.6
151.11255	0.6
155.10779	0.7
161.04547	3.0
163.11285	2.1
165.09177	0.6
165.12799	3.1
169.12337	2.1
171.10254	18.3
172.10558	0.9
177.12810	0.7
179.05571	1.4
179.14365	0.6
181.12343	1.6
183.13913	1.5
185.11810	1.7
193.12337	11.5
193.15993	0.7
195.13843	0.7
197.11819	19.2
198.12184	1.4
199.13359	1.1
201.11247	1.2
207.10173	0.7
209.11816	4.7
211.13382	7.0
221.11836	1.6
222.12355	0.5
223.13344	1.0
225.11324	1.1
225.14928	14.8
226.15302	1.1
227.12874	2.5
235.08221	4.2
243.15967	6.5
245.19006	0.8
247.20724	1.8
250.39249	0.5
253.09267	28.7
253.14391	1.1
254.09534	1.0
263.20135	1.3
273.18542	1.0
289.18054	2.1
291.19635	33.1
292.19968	3.5
293.21146	3.3
305.17706	0.8
307.19122	1.2
309.20682	69.8
310.21078	6.1
323.18683	0.8
323.22318	1.4
325.20206	1.8
327.21722	2.0
341.23282	100.0
342.23636	8.3
345.77853	0.6
357.22833	1.4
400.69232	0.5
431.71451	0.5
545.29681	2.2
577.32166	4.3
633.43799	7.6
634.44019	1.3
843.69562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	10.8
68.99583	1.0
69.03458	2.1
71.01379	6.7
71.01730	0.6
72.99307	0.7
73.02936	2.4
78.09084	0.4
78.95917	0.9
79.95757	0.6
80.02691	0.5
80.91703	0.7
81.03462	0.8
83.05042	1.7
84.02166	2.5
85.02947	2.5
87.00893	1.4
89.02450	6.2
93.03432	0.6
95.01395	0.9
95.05043	1.0
96.96006	13.4
96.96975	1.2
97.02950	3.4
97.06582	8.9
98.19872	1.3
99.00886	0.8
99.04551	0.5
99.92577	4.8
101.02441	5.3
102.05612	5.6
107.04988	0.5
109.06603	0.5
111.00842	0.6
111.08152	4.8
112.98609	0.5
113.02442	3.6
116.92860	43.1
116.97356	0.4
117.01894	2.0
117.92876	2.5
119.03522	1.4
119.08692	1.0
123.04582	0.5
125.02457	1.1
125.09688	2.2
127.07704	0.5
127.11311	0.6
128.03531	4.7
131.03470	0.7
135.08221	0.8
137.09720	1.8
143.03508	0.8
145.05035	0.7
145.06177	0.9
146.04590	15.3
146.05727	0.8
149.09627	0.5
151.07645	0.6
151.11298	0.4
153.12820	0.7
156.44687	0.4
161.04568	3.3
163.11322	1.0
165.12843	2.5
169.12332	2.3
171.10268	14.8
175.11252	0.9
177.12856	0.7
179.05614	1.1
181.12347	1.5
183.13950	1.2
183.77893	0.4
185.11845	1.5
193.12341	11.3
194.12726	0.5
197.11827	23.1
198.12213	1.2
199.13362	0.8
201.11369	1.1
207.10088	0.6
209.11833	2.5
211.13374	8.5
212.13718	0.5
216.95413	0.5
221.11800	1.9
223.13484	0.7
225.11552	0.6
225.14944	16.5
226.15327	0.9
227.12766	2.3
229.10916	0.5
230.72708	0.5
235.08209	3.1
243.15991	7.1
245.19270	0.6
247.20665	1.8
253.09274	31.3
253.14484	1.7
254.09625	1.0
263.20166	1.3
265.18100	0.5
273.18558	0.9
279.19601	0.5
289.07263	0.5
289.18118	1.3
291.19632	23.2
292.19965	1.8
293.21240	2.3
305.21469	0.8
307.19098	1.1
309.20697	60.4
310.21024	6.6
323.22327	2.0
325.20203	1.0
327.21741	2.1
341.23294	100.0
342.23636	10.3
357.22754	1.2
447.70386	0.4
527.28864	0.6
545.30060	2.1
577.32098	3.4
578.32294	0.9
633.43835	5.7
634.43799	1.1
869.48322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	16.7
68.99569	30.8
69.03450	1.8
69.11588	1.0
69.43398	0.9
71.01376	9.0
73.02937	1.2
83.01393	1.9
83.05025	2.2
84.02168	1.6
85.02936	2.0
87.00885	2.3
88.98803	1.5
89.02442	7.1
95.05023	1.5
96.95983	0.9
97.06581	9.6
101.02431	8.1
109.06551	1.4
111.00923	0.9
111.08157	7.9
112.98564	30.6
113.02415	3.9
116.92823	1.2
117.08501	0.9
119.03497	2.3
125.02417	1.4
125.09704	2.5
128.03545	1.2
137.09717	1.8
139.11284	1.0
143.03487	1.0
159.11826	1.0
161.04544	3.9
167.10768	1.4
171.10251	13.9
177.12834	2.4
179.05640	1.3
179.10809	1.1
181.12405	1.0
185.11772	1.7
193.12318	10.8
195.13899	5.4
197.11870	1.4
199.13341	2.3
207.10188	1.2
209.11850	2.8
211.13344	7.0
223.13423	2.2
225.14951	14.4
229.11819	1.4
235.08229	3.4
236.08548	1.0
239.16524	3.1
241.14488	5.5
243.15939	6.1
245.19193	1.0
247.20636	1.8
253.09291	27.3
253.14464	1.4
254.09622	3.2
255.09930	1.1
257.17490	1.9
275.20044	2.2
277.21552	1.7
289.18127	3.1
291.19650	71.5
292.19998	6.4
293.21216	15.8
294.21622	2.1
307.19141	2.6
309.20737	2.8
311.22379	1.0
313.06686	1.0
321.20779	1.2
321.24280	3.7
322.24536	2.6
327.21704	2.0
328.21939	1.3
329.21765	1.2
339.25165	1.1
341.23300	100.0
342.23615	10.3
343.24771	1.4
357.26505	13.1
358.26685	1.3
479.73508	0.9
577.32330	1.6
651.91748	1.0
869.46936	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	869.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	71.5
62.78390	0.9
68.39041	0.8
68.99557	1.9
69.03455	1.0
71.01377	14.1
71.05013	2.2
72.99314	1.4
73.02944	3.6
77.75776	1.0
78.95896	3.6
79.95744	2.4
80.02648	1.3
80.91672	1.5
81.03451	3.4
83.01376	3.2
83.05016	6.9
84.02136	1.7
85.02964	4.6
87.00871	2.1
89.02453	8.4
92.38609	0.9
94.98057	1.6
95.05018	3.5
96.96010	44.0
96.96909	4.9
97.02948	2.0
97.06580	4.1
98.20708	1.8
98.95581	9.9
98.96455	1.9
99.00875	1.8
99.04515	3.1
99.08134	1.9
101.02434	8.5
107.05011	1.4
108.02160	1.0
109.06590	2.3
111.04511	1.1
112.05251	1.5
112.98531	1.5
113.02446	4.5
113.06062	1.7
114.87835	1.1
115.07625	3.0
116.92850	2.0
119.03465	1.8
121.02937	1.7
123.00909	1.2
123.04524	1.7
123.08157	2.4
125.02447	2.1
125.06066	1.9
125.09728	10.9
127.07683	5.2
127.11266	1.5
130.05106	1.8
135.08180	5.4
137.02466	1.1
137.09691	2.0
137.35890	0.9
139.07611	1.8
141.09193	1.2
145.05084	1.8
149.09644	1.3
153.09207	25.7
155.10727	4.4
161.04512	3.3
163.11281	6.5
165.12814	4.0
167.10785	1.2
169.08611	1.1
171.10263	42.4
172.10603	2.5
178.09964	4.2
179.05531	1.5
179.10735	1.3
181.12309	1.3
183.13901	1.5
185.11810	13.8
191.10718	4.3
191.14369	2.4
193.12259	2.3
197.11806	15.1
201.11320	1.2
207.10233	2.5
209.11815	79.0
210.12151	2.9
211.13358	5.6
219.10091	1.2
221.11909	2.2
223.13373	3.0
225.11351	1.5
227.12878	3.6
229.36218	1.0
234.24637	1.0
235.08182	6.1
235.20508	1.2
236.10594	0.9
237.14983	1.4
238.12080	3.6
239.12675	1.3
245.19141	5.2
253.09238	17.5
253.18030	1.1
263.20187	1.0
271.15793	1.0
279.19611	2.7
287.16367	1.9
289.15103	1.6
289.18109	22.5
290.18396	1.6
291.19406	2.5
297.20627	2.4
305.17657	5.5
307.19135	100.0
308.19440	9.1
309.20639	5.5
319.18951	1.7
323.18597	4.2
325.20175	50.7
326.20642	4.8
327.21982	8.5
407.19504	1.1
426.72101	1.0
474.21399	1.3
525.26758	3.1
541.26166	1.4
543.28107	20.5
544.28107	4.5
561.28986	7.4
629.31482	1.1
691.36041	1.2
693.38757	1.0
697.37854	3.5
698.39600	1.1
709.37708	2.3
715.40070	1.1
727.38751	2.8
753.40656	1.5
764.39539	2.2
782.41699	4.7
833.46851	9.2
834.47607	1.4
851.47906	12.2
852.48401	3.5
869.48938	5.8
870.48676	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	869.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98954	0.7
61.98829	21.6
68.99558	5.0
69.03443	3.4
69.50560	0.8
71.01379	11.7
71.05018	1.4
72.99294	1.4
73.02941	3.1
73.83752	0.6
78.95901	5.0
79.95753	2.2
80.91702	1.2
81.03445	1.5
82.95374	0.7
83.01383	2.6
83.05012	3.6
84.02159	2.2
84.77296	0.7
85.02946	5.0
85.06605	0.7
87.00874	3.3
88.98791	0.9
89.02441	7.8
95.01348	1.1
95.05033	4.5
96.96011	51.8
96.96905	4.0
97.02959	6.7
97.06577	11.4
99.00864	1.2
99.04486	0.9
99.92574	3.0
101.02432	10.6
101.62803	0.7
102.05613	6.9
107.05043	0.9
109.06596	2.2
111.04544	0.9
111.08136	6.0
112.98582	3.4
113.02441	6.6
116.92854	29.8
117.01936	0.8
118.80737	0.8
119.03468	1.7
119.08652	0.9
121.06573	0.9
123.04559	1.3
123.08167	1.5
125.02466	1.7
125.06075	1.2
125.09727	7.2
127.11285	2.6
128.03532	5.0
135.08179	1.4
137.02403	1.0
137.09712	3.2
139.07649	3.2
139.11296	0.9
141.09212	0.9
143.03508	1.3
145.05074	1.4
145.06165	2.8
146.04588	17.7
149.09721	1.2
151.07632	1.2
151.11276	1.7
152.99562	0.9
153.09294	1.1
155.10776	1.4
161.04546	5.7
163.11267	3.8
165.09258	1.1
165.12834	6.0
167.10759	1.6
169.08676	1.5
169.12308	2.1
171.10263	25.6
172.10655	0.8
175.11292	1.4
177.12817	1.2
179.05650	1.6
179.14464	1.0
181.12350	2.9
183.13875	1.4
185.11858	5.4
191.10715	1.1
191.14343	1.2
193.12291	14.0
194.12766	0.9
195.13885	1.4
197.11829	28.4
198.12175	1.8
199.09712	1.0
199.13428	1.5
201.11313	24.3
202.02377	0.9
202.11623	1.3
207.10228	2.4
209.11829	14.3
210.12268	0.7
211.13368	11.4
221.11813	1.8
223.13402	1.4
225.11407	1.8
225.14943	15.4
226.12035	0.8
226.15332	1.0
227.12837	4.2
229.52895	1.2
235.08200	6.6
235.35349	0.8
237.15010	1.1
238.24725	0.7
243.15897	7.2
245.19020	1.3
247.13470	1.1
247.20697	3.5
249.14973	1.0
251.13010	1.0
253.09286	44.0
254.09663	2.7
261.18491	1.0
263.20029	1.1
265.14563	0.9
265.17966	1.0
273.18616	2.3
287.16434	2.2
289.18082	5.7
290.18497	1.1
291.19650	46.3
292.20047	3.0
293.21127	5.0
305.17651	6.3
307.19022	3.7
309.20688	95.5
310.21030	9.2
323.18512	4.3
323.22260	2.2
325.20071	4.7
327.21722	3.3
341.23297	100.0
342.23645	10.0
357.22736	2.2
406.30417	0.8
493.31631	1.3
527.28418	0.9
541.27112	1.8
545.29712	3.1
577.32501	3.3
633.43787	5.9
750.64117	0.8
770.27887	0.8
833.47437	2.4
869.47772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98527	0.2
63.99249	0.2
76.88020	0.1
79.95734	0.3
116.92841	0.1
171.10257	0.2
178.65901	0.1
263.84778	0.1
266.25854	0.1
277.21930	0.1
293.21204	0.2
294.21698	0.3
295.21582	0.1
328.66156	0.1
403.32779	0.1
461.77109	0.1
588.04315	0.1
594.00220	0.1
647.72205	0.1
869.47211	0.2
895.79517	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	869.446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.87149	2.8
68.99577	4.5
69.15598	8.2
69.16005	26.9
71.01378	6.7
78.26679	3.1
88.98799	7.7
89.02445	5.1
96.95999	5.8
97.06629	4.5
99.00945	3.9
99.92578	7.0
101.02428	7.4
102.05630	8.1
111.00886	3.6
112.98587	3.5
113.02472	3.2
116.92855	39.8
117.92865	14.5
118.92686	7.8
125.09710	5.7
128.03546	8.7
143.07121	6.1
146.04637	4.6
162.84726	3.0
171.10245	9.0
174.83456	3.1
185.11841	5.0
195.13853	4.9
197.11746	6.3
207.10170	4.1
209.11844	10.7
225.11299	5.1
235.08160	4.8
253.09254	15.8
277.21570	4.6
289.18054	51.4
291.19681	21.2
293.21262	8.8
303.50235	3.0
307.19202	14.8
341.23364	8.0
403.29065	3.4
639.91199	3.8
864.06586	3.4
869.45038	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	869.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.33851	0.3
63.96239	0.5
63.99260	1.1
67.17248	0.5
68.99588	0.6
69.03459	0.4
71.01379	3.5
77.65018	0.4
78.98593	1.5
79.95738	14.2
80.96516	23.1
85.02966	1.2
86.86713	0.3
87.00894	0.9
89.02472	1.0
94.98098	5.3
96.96015	0.9
97.02950	0.6
101.02434	1.0
106.98106	1.2
112.98524	0.6
116.92905	0.6
122.97601	1.3
125.02457	1.2
134.97540	2.0
136.99138	0.6
140.40199	0.4
148.99141	2.2
152.98628	1.8
161.04512	0.7
164.98656	3.5
171.10292	1.5
172.10600	0.6
196.59123	0.4
198.99152	0.4
206.99648	1.3
211.13388	0.5
225.00768	7.1
241.00293	0.5
255.23297	1.5
256.23672	0.7
283.04874	1.3
310.49033	0.4
341.05560	0.9
379.12595	0.5
397.12320	0.4
575.25629	0.7
717.00922	0.5
869.47247	30.9
870.47522	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	868.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98538	0.1
71.03775	0.1
81.88958	0.1
98.14246	0.1
98.19875	0.4
115.09969	0.1
223.53975	0.1
224.36028	0.1
476.99280	0.1
568.85950	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	868.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98532	0.2
63.41981	0.1
71.12506	0.2
75.69399	0.1
75.69923	0.1
80.96562	0.1
84.69893	0.1
110.03574	0.1
111.76375	0.1
120.88267	0.1
140.49483	0.1
146.07759	0.1
153.31960	0.1
212.56250	0.1
232.71359	0.1
236.70874	0.1
254.03500	0.1
262.60004	0.1
364.71521	0.1
504.50665	0.1
653.27185	0.1
666.99609	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	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98534	0.1
62.99283	0.1
78.95896	0.1
79.95712	0.1
80.96506	0.7
94.98096	0.2
96.80040	0.1
125.25243	0.1
129.51938	0.1
219.79506	0.1
225.00717	0.2
228.97054	0.1
323.37900	0.1
417.38086	0.1
783.27747	0.1
868.51160	0.4
869.47882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98532	0.2
63.99251	0.2
70.35477	0.1
70.44592	0.3
70.44959	0.2
73.66106	0.1
78.68204	0.1
79.95752	0.3
80.96512	0.1
89.02426	0.1
111.38294	0.1
183.38199	0.1
195.13991	0.2
211.83488	0.1
240.10579	0.1
253.09363	0.4
277.21854	0.3
293.21216	0.1
295.22772	2.0
308.31137	0.1
378.48596	0.1
475.82156	0.1
696.12445	0.1
777.85455	0.1
851.76636	0.1
868.49567	0.2
869.48322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84620	0.1
61.98830	100.0
63.99240	0.2
71.01385	0.2
86.44332	0.1
96.96018	0.5
98.19894	0.4
101.54449	0.1
119.05019	0.1
125.02475	0.2
134.90848	0.1
162.92171	0.1
209.11821	0.2
253.09415	0.2
305.56256	0.1
522.20972	0.1
717.25745	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	867.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98532	3.0
61.98829	45.0
64.18268	2.0
65.21817	1.7
69.03442	2.4
69.83530	11.4
71.01388	19.8
72.99294	1.9
73.02928	3.9
79.95210	2.5
84.51766	2.2
85.02960	3.2
87.00850	2.7
89.02450	20.3
95.01392	2.1
97.02940	5.0
97.93246	2.1
101.02435	11.8
105.01906	3.1
111.08140	3.8
113.02438	6.0
119.03461	3.5
125.02454	3.0
126.90478	2.5
161.04546	2.2
169.12363	22.6
171.10254	51.8
171.29808	2.0
172.10591	2.3
179.05727	3.1
195.13889	5.5
197.11798	25.5
209.11913	2.6
211.13383	4.8
223.13426	3.8
231.12347	2.6
235.08170	5.2
245.06654	2.3
253.09294	27.1
255.23264	50.9
256.23654	4.8
275.20120	4.7
291.19577	18.8
293.17932	3.7
293.21204	78.8
294.21545	8.4
309.20682	52.5
310.20987	3.9
321.24280	2.6
339.25507	2.8
349.84357	2.4
397.13483	7.1
520.97430	2.4
545.16473	2.1
849.47968	4.0
867.49548	100.0
868.49921	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	866.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42963	0.1
61.98830	100.0
62.98538	0.1
71.12960	0.2
79.95737	0.2
80.96513	0.8
86.04392	0.1
148.99138	0.1
171.75844	0.1
281.30679	0.1
340.45996	0.1
866.50079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.77945	1.3
63.99276	1.3
71.01381	13.5
73.02958	2.0
78.95895	1.7
79.74220	1.2
81.03458	1.9
83.01398	2.1
83.05023	3.6
83.33429	1.3
85.02942	2.8
87.00873	5.2
89.02448	12.6
95.05029	1.4
96.96007	3.5
97.02943	1.9
101.02459	6.8
113.02444	5.4
116.92889	1.6
119.03476	1.6
125.02413	6.5
129.01918	1.3
143.03433	2.3
150.32477	1.2
158.41037	1.2
159.77596	1.2
161.04504	2.4
163.11256	3.3
164.20544	1.2
165.12880	6.4
171.10217	1.9
179.05612	2.0
183.13882	40.0
184.14172	2.1
203.11147	1.2
209.11816	48.9
210.12149	4.0
211.13377	2.5
213.14940	3.3
225.11282	1.9
227.12898	9.0
235.08340	1.7
289.07397	1.6
397.13336	5.6
410.67926	1.2
538.02740	1.4
555.21027	1.3
687.65417	1.7
817.38263	1.7
835.39642	66.2
836.40027	17.0
867.42059	10.1
868.42578	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	866.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98560	0.2
71.01399	0.1
96.79791	0.1
98.20660	0.2
171.10301	0.2
209.11967	0.1
255.23370	0.3
291.65628	0.1
293.21338	0.2
294.21738	0.1
351.09268	0.1
470.88858	0.1
610.73480	0.1
724.15125	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	866.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98531	0.2
62.99249	0.1
71.01373	0.1
78.95913	0.1
80.96480	0.1
84.42683	0.1
98.20657	0.2
111.57045	0.1
130.23820	0.1
146.83244	0.1
171.10324	0.1
225.00818	0.1
255.23325	0.1
291.19772	0.1
293.21170	0.2
294.21564	0.2
419.36313	0.1
601.50342	0.1
777.81818	0.1
866.51184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.66116	0.2
70.11413	0.2
71.01389	0.7
78.95927	0.4
89.02453	0.4
97.06567	0.3
101.02490	0.4
116.92881	0.7
119.02473	0.3
125.02502	0.4
127.95951	0.2
166.27747	0.2
169.12372	0.5
171.10298	0.5
197.11734	0.2
209.11813	2.2
209.13499	0.2
253.09081	0.3
277.21732	1.0
293.21228	0.5
307.19028	0.2
309.20715	0.2
319.22769	0.3
321.24539	0.6
327.21640	0.4
379.12323	0.3
383.94714	0.2
397.13528	0.9
415.14706	0.4
620.39142	0.3
866.50507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98518	0.1
63.99244	0.1
68.99552	0.2
71.01382	0.3
72.99307	0.2
78.95917	0.3
79.95765	0.2
88.98856	0.2
92.92758	0.1
96.96024	0.9
98.19762	0.2
112.98601	0.2
125.02475	0.2
139.66948	0.1
165.02010	0.2
171.10283	0.2
175.84099	0.1
183.39645	0.1
209.11868	0.3
225.11287	0.2
229.77448	0.1
253.09169	0.1
255.19705	0.1
289.18256	0.1
293.21280	0.2
307.19238	0.1
309.20734	0.1
325.20218	0.1
360.82370	0.1
476.88895	0.1
608.71356	0.1
638.21600	0.1
639.02325	0.1
866.48102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98535	0.2
78.95901	0.2
79.13332	0.1
96.96023	0.4
119.05017	0.1
121.02991	0.2
125.02449	0.3
137.02460	0.1
144.05742	0.1
171.10265	0.1
179.22064	0.1
182.22900	0.1
207.10175	0.1
209.11873	0.2
225.00804	0.1
225.11496	0.1
229.03291	0.1
461.34232	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	865.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39652	0.6
61.98827	100.0
67.47099	0.5
71.01380	3.3
82.09409	0.5
89.02464	1.6
101.02432	2.3
110.57668	0.6
113.02448	1.3
113.09718	5.4
116.92852	2.1
130.06842	0.6
135.11734	0.7
139.11243	0.9
140.63156	0.6
144.88225	0.6
161.04636	0.7
167.10751	0.8
171.10313	1.1
179.10718	0.7
180.57693	0.6
195.13921	3.7
223.13391	1.7
235.08252	2.7
235.17035	1.3
249.22235	0.8
253.09270	8.9
255.23235	1.8
256.23547	0.8
275.20084	4.2
277.21741	1.8
291.19766	2.4
293.21213	99.4
294.21542	8.7
295.22714	2.3
399.67401	0.6
479.13507	0.6
529.30157	4.3
530.30164	0.8
569.40997	0.7
626.30609	0.7
865.49854	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	865.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.07463	0.9
71.01387	4.3
78.95903	1.2
78.98590	1.7
79.95738	5.6
80.96514	20.5
85.02924	1.4
89.02472	1.4
94.32412	0.9
94.98082	5.1
98.20741	2.5
101.02426	1.8
106.98132	1.1
113.12462	1.0
125.02380	1.9
125.09772	1.2
134.97606	1.5
140.41264	1.0
144.06714	1.1
148.99127	2.6
152.98610	2.1
164.98575	4.4
171.10208	1.1
192.29189	1.0
197.01059	0.9
206.99602	1.0
211.13376	13.9
216.06314	0.9
225.00766	6.5
229.14143	1.3
235.08206	3.2
253.09261	3.6
255.23331	1.9
274.54352	1.1
277.21704	38.7
278.22192	4.3
291.19656	13.7
293.21289	3.8
513.30908	1.1
611.96014	1.1
787.51080	1.2
800.47852	1.1
811.49445	1.2
865.49933	26.9
866.50409	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	865.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	12.1
69.03425	1.5
70.92468	1.4
70.92805	1.7
71.01377	16.2
72.99306	1.6
73.02939	1.8
73.58732	1.1
75.00859	2.0
78.95908	1.8
83.01385	2.3
85.02940	4.2
87.00856	3.6
89.01930	1.3
89.02443	12.5
96.97018	1.1
97.02937	2.3
97.06575	2.8
99.00888	1.2
101.02439	12.9
107.89332	0.9
113.02457	6.4
119.03487	4.0
123.08129	1.7
125.02435	2.4
125.09694	4.4
139.11292	3.0
153.04593	1.0
161.04597	1.3
163.11266	1.6
167.10780	3.1
171.10231	2.2
179.05478	2.2
185.11807	41.5
186.12103	2.5
191.14426	1.0
195.13905	1.5
199.13354	1.7
201.11305	1.0
209.11815	5.3
210.12038	1.2
211.13336	1.1
221.06569	2.2
223.13399	1.3
227.12904	2.2
235.08109	3.2
241.01201	1.2
245.19057	2.3
253.09248	6.0
255.23285	57.6
256.23624	4.6
263.20145	1.0
289.18121	11.8
293.21249	14.3
294.21591	1.3
307.19162	10.2
309.20575	1.8
337.24142	1.2
361.53540	1.0
397.13486	8.1
415.14270	1.5
709.00525	1.2
865.47998	100.0
866.48206	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	865.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77107	0.6
61.98830	78.8
63.96235	1.6
64.64568	0.6
69.03447	0.8
69.90079	2.7
70.14660	0.7
71.01381	8.3
72.01690	0.6
73.02939	0.9
78.98592	6.7
79.95731	19.3
80.96516	79.0
85.02962	3.4
86.91235	0.6
87.00878	3.0
87.58029	0.6
94.98088	16.0
96.96025	1.5
97.02927	1.1
98.20606	0.7
101.02441	2.2
104.97581	0.6
106.98090	3.7
122.97602	3.3
125.02439	3.5
127.03976	1.1
134.97592	6.4
136.99130	2.2
148.99121	7.0
152.98657	7.0
153.84419	0.6
164.98616	14.0
167.00171	0.8
206.99640	2.8
225.00739	23.0
226.00987	0.9
255.23195	1.4
283.04831	1.2
293.41296	0.7
355.07025	1.0
537.27563	1.2
609.25543	1.3
754.78625	0.8
865.49829	100.0
866.50092	24.8
896.11627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	0.7
75.25336	0.5
77.61491	0.4
78.82988	0.5
81.03462	1.7
83.01384	3.6
89.03969	0.9
93.03458	1.7
95.01414	0.9
95.05027	1.3
97.02956	1.5
105.03511	0.5
107.05028	1.7
108.02148	0.8
109.02946	11.4
117.03481	0.8
121.02965	3.0
122.03760	1.1
123.04530	6.7
124.04816	0.5
125.02446	100.0
126.02784	3.0
131.04994	1.0
133.02957	5.0
135.00880	0.6
135.04512	1.5
137.02441	14.5
138.02852	0.3
139.04001	1.4
143.05043	0.6
145.02969	1.0
146.03737	0.7
147.04530	1.0
149.02448	3.7
149.06055	0.9
150.03233	0.8
151.04008	10.7
152.73242	0.4
159.04471	2.3
160.34029	0.4
161.02441	28.5
161.06104	1.6
162.03238	2.2
163.00331	2.5
163.04012	4.6
164.01172	5.9
164.75667	0.5
165.01930	5.2
167.03491	1.3
173.06100	1.0
174.03207	0.6
175.04002	12.9
175.05527	0.6
175.07629	0.7
176.01183	0.9
176.04311	0.9
177.01915	10.3
177.03343	0.7
177.05585	0.8
178.02411	0.5
179.03500	1.3
180.01219	0.4
183.04506	1.0
185.06075	0.7
187.04002	4.1
188.04723	1.2
189.01886	2.1
189.05592	1.0
190.02759	0.8
191.03491	1.1
193.05043	1.2
197.05957	0.5
199.03998	2.8
199.07748	0.4
201.01982	0.9
201.05579	2.0
202.06494	0.6
203.03519	2.4
203.07097	2.8
205.01486	0.9
205.05016	2.7
211.04024	1.7
212.04826	0.7
213.05591	0.5
214.02782	1.0
215.03488	1.1
217.01456	0.8
217.05051	6.4
219.02977	3.7
219.06458	0.8
221.08264	0.8
225.05530	1.0
227.03458	2.0
227.07072	0.9
228.04317	0.7
229.05080	3.6
230.05682	0.8
231.03014	1.6
234.39479	0.5
243.02968	10.7
243.06711	1.4
244.03488	1.2
245.04535	8.7
245.08162	4.2
246.04977	0.6
247.06076	1.0
253.04941	0.9
255.02937	7.1
256.03665	1.9
257.04514	1.4
259.06030	0.8
261.04019	5.7
269.04660	3.1
271.06232	0.7
273.03992	2.5
281.01776	0.5
281.04504	2.7
283.02530	1.7
285.04071	2.0
287.05615	25.0
288.03024	0.6
288.05753	2.1
289.07172	16.4
290.07562	1.5
297.04083	0.9
297.07596	0.6
299.05576	3.2
315.08676	0.7
329.06659	1.0
331.08337	0.6
339.08661	2.0
341.06686	1.5
347.20404	0.5
381.05502	0.5
381.09814	1.3
383.07663	1.0
389.06497	0.7
391.04544	0.6
395.07751	0.6
405.06107	3.4
407.07675	22.3
408.07944	2.5
409.09283	0.5
413.08829	6.2
414.09283	0.7
417.06006	0.7
423.07111	3.4
424.07950	0.5
425.08752	11.5
426.09247	1.7
435.07422	0.8
449.08627	4.1
451.10324	6.0
525.08344	1.3
533.10980	0.8
543.08990	2.8
544.09570	0.5
559.12543	1.6
561.10217	2.8
569.10809	1.6
575.11871	4.1
576.12585	0.9
577.13593	9.4
578.13953	1.8
587.11426	2.3
617.13623	0.6
695.13995	4.3
696.14325	0.9
713.15234	3.2
727.02972	0.5
739.17029	1.5
821.36774	0.5
865.20288	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	865.198
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00300	0.6
65.03962	0.6
69.70488	3.2
81.03450	2.1
83.01392	5.7
86.11268	0.5
91.89057	0.6
93.03465	2.6
95.01401	0.9
95.05059	1.3
97.02975	3.5
105.03452	0.9
105.36671	0.6
107.05029	1.4
108.02146	1.6
109.02950	19.0
111.69312	0.7
112.34442	0.6
116.80785	0.5
117.03425	0.9
119.04968	0.9
121.02956	3.0
122.03725	1.4
123.04516	13.3
124.01691	0.9
125.02440	100.0
126.02792	2.8
131.04993	1.0
133.02953	5.8
134.03700	1.0
135.04546	2.9
137.02435	31.4
138.02817	1.3
139.03979	2.7
141.26753	0.5
143.04996	0.7
145.02953	1.6
147.04518	1.5
149.02437	5.9
150.03163	1.1
151.03996	11.5
158.03767	0.7
159.04507	4.2
161.02434	39.2
161.06075	4.3
162.03148	3.1
163.00369	3.5
163.03999	4.6
164.01166	5.2
165.01927	5.5
167.03510	1.4
173.02359	0.6
173.06055	1.1
174.03204	1.4
175.03981	9.7
175.07753	0.6
176.01161	2.8
176.04295	0.7
177.01927	11.8
177.05482	0.9
178.02510	1.1
179.03474	3.3
183.04480	0.8
185.06020	1.2
187.03996	9.6
188.04752	2.8
189.01935	1.3
191.03384	0.9
193.05026	3.3
197.06050	0.9
199.03961	1.5
201.02014	0.6
201.05566	2.4
202.06300	0.9
203.03511	2.2
203.07133	6.8
204.04211	0.6
205.01363	2.4
205.05055	7.1
211.03979	2.1
212.04716	0.9
212.58249	0.6
213.05525	2.3
214.02696	1.2
215.03415	2.1
215.06914	0.6
217.05038	2.5
219.02795	0.7
219.06573	0.8
221.08218	1.1
225.05583	1.3
226.06122	0.6
227.03502	3.3
227.07089	0.9
228.04237	1.4
229.05043	5.5
230.05769	0.9
231.02917	2.0
231.06648	0.9
241.05031	1.6
243.02985	4.3
243.06569	1.7
244.03424	0.9
245.04529	8.6
245.08124	11.1
246.08495	0.9
247.06079	0.8
253.05058	0.6
255.02986	17.1
255.05951	0.9
255.06783	0.8
256.03690	6.1
257.04605	3.1
265.05054	0.6
267.03024	0.6
268.03802	1.0
269.04691	3.5
270.05228	0.7
271.06009	0.6
273.04129	4.8
274.04199	0.8
280.03671	0.6
281.04535	5.2
282.01782	1.5
283.02536	3.8
285.04132	5.2
285.07346	1.1
287.05548	9.9
288.02747	1.4
288.05728	0.7
289.07156	38.2
290.07468	2.8
296.03140	0.7
297.04092	1.7
297.07608	0.8
299.05585	10.8
301.07071	0.7
323.05750	0.7
329.06635	1.2
339.08737	4.2
340.08691	0.7
347.05692	0.6
381.09796	3.6
383.07449	0.8
391.04352	0.9
391.08688	0.8
407.07687	60.0
408.08023	6.7
417.06091	0.8
419.07626	0.9
425.08713	23.2
426.08994	3.1
433.09451	0.8
435.07214	2.7
449.08762	1.2
451.10294	20.9
452.10907	1.8
457.09409	2.0
461.08832	2.4
467.09259	0.7
468.64777	0.6
499.10287	1.6
517.11450	0.9
517.25507	0.6
525.08209	6.7
526.08557	1.2
543.09167	13.3
544.09814	2.4
559.12457	1.8
561.10461	5.5
562.10583	1.2
564.86462	0.6
569.10742	10.2
570.10986	1.8
577.13452	14.7
578.13812	2.9
587.11975	11.4
588.12268	1.7
613.13641	2.1
695.13977	10.4
696.14417	2.2
713.15143	2.1
723.63745	0.7
739.16388	2.7
865.20197	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	865.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01955	0.7
69.03507	1.0
70.02908	3.7
75.74924	0.7
81.03450	1.3
83.01399	3.8
89.03954	1.8
93.03477	1.0
95.05000	1.7
97.02962	1.8
98.20549	1.2
105.03481	1.0
107.05048	1.2
109.02956	10.7
117.03457	0.8
121.02964	2.1
122.03752	1.2
123.04536	8.1
125.02445	100.0
126.02767	2.5
131.04984	1.1
133.02919	5.7
135.04547	1.4
137.02451	12.0
139.04030	1.7
147.04527	1.5
149.02452	2.9
151.04012	11.2
159.04488	2.5
161.02437	29.7
161.06084	1.4
162.03137	2.4
163.00375	2.1
163.04042	4.2
164.01172	5.3
165.01904	6.7
167.03496	1.2
173.06030	1.7
175.04002	13.8
176.01111	1.0
177.01944	10.5
177.05617	0.9
179.03453	1.4
183.04582	1.0
185.06065	0.8
187.03996	4.5
188.04845	0.9
189.01886	1.5
191.03517	0.8
199.04027	3.3
201.05582	2.3
203.03508	2.8
203.07066	4.1
205.01428	1.7
205.05008	5.3
213.05521	0.9
215.03555	1.3
217.05031	6.7
219.02968	2.5
225.05569	1.3
227.03435	2.0
227.07053	0.9
229.05103	2.3
231.02811	0.8
243.02986	17.4
243.06587	1.1
244.03627	1.4
245.04567	10.3
245.08139	6.0
247.05945	1.3
255.02948	5.5
256.03622	2.6
257.04572	1.1
261.03967	6.3
261.27676	0.9
269.04541	1.8
273.04071	2.5
281.04428	1.8
282.01804	1.0
283.02591	1.7
285.04007	2.1
287.05579	27.6
288.05984	1.6
289.07175	17.9
290.07614	1.5
299.05481	2.7
315.08768	1.6
339.08643	2.3
341.06903	1.1
405.06110	4.0
407.07693	20.6
408.07898	2.7
413.08914	5.8
414.09399	0.9
423.07166	3.5
425.08792	9.9
449.08707	5.5
451.10327	5.6
467.09842	1.2
474.57669	0.8
525.08429	1.8
533.11072	1.1
543.09424	3.3
561.10413	1.6
575.12335	3.7
577.13507	6.8
578.13934	1.4
587.11627	1.9
677.12836	0.9
695.14063	3.5
713.15271	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	865.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64269	0.6
67.01878	0.8
69.14657	2.2
69.15058	4.6
75.00890	0.7
81.03454	1.6
82.20573	0.7
83.01393	4.5
85.02933	1.4
93.03490	1.3
95.01388	0.9
95.05019	1.0
97.02937	2.1
98.19840	1.6
107.05036	2.1
108.02231	1.2
109.02946	13.1
111.70591	0.8
117.03418	1.5
121.02956	3.0
122.03780	0.9
123.04522	7.9
125.02445	100.0
126.02802	2.5
131.05002	1.8
133.02950	5.0
135.04533	1.6
137.02457	14.3
139.04048	2.2
145.02863	1.1
147.04507	1.5
149.02458	4.5
150.03159	1.2
151.04012	10.3
155.04993	1.1
159.04494	2.7
161.02443	32.7
161.06049	1.8
162.03123	2.8
163.00365	2.7
163.03979	4.5
164.01157	6.1
165.01939	6.1
169.09517	0.7
173.06036	1.3
175.03981	16.6
177.01950	10.7
177.05548	1.3
178.02545	0.7
179.03479	2.3
183.04457	0.9
185.06146	1.0
187.04041	4.8
188.04706	1.5
189.01927	2.9
189.05447	0.8
193.04977	1.2
199.04051	2.1
201.05560	2.8
202.06293	0.8
203.03497	2.0
203.07153	3.4
205.01402	1.4
205.05099	3.6
213.05595	0.7
214.02628	0.9
215.03526	1.0
217.05048	8.6
219.02962	3.0
221.08148	0.9
225.05493	1.1
227.03548	2.4
228.04446	1.1
229.05063	2.5
231.02866	1.3
241.05052	0.8
243.02953	16.4
243.06638	1.4
244.03479	1.2
245.04503	12.1
245.08134	5.9
255.02943	6.6
256.03754	3.4
257.04547	1.7
261.03937	6.3
262.04404	0.8
269.04559	3.6
273.04074	2.1
281.04602	2.1
282.01520	0.9
283.02466	1.9
285.04047	1.8
286.04614	0.8
287.05585	28.8
288.05954	2.6
289.07159	19.6
290.07523	1.1
299.05588	4.1
315.08768	1.4
331.08304	1.1
339.08643	1.8
341.06577	1.8
363.05264	0.9
383.07639	1.2
391.04630	1.1
405.06006	4.0
406.06705	1.0
407.07739	20.9
408.08044	2.4
413.08755	7.3
423.07114	4.1
425.08725	11.7
426.08786	1.3
449.08679	7.1
450.09167	1.1
451.10275	8.6
459.14987	5.0
467.10019	1.6
525.08240	2.4
533.10834	1.5
543.09338	4.7
561.09906	2.0
569.10767	1.4
575.12067	5.7
577.13403	11.5
578.13422	1.8
587.11920	3.6
588.12048	1.0
695.13940	7.1
696.14667	2.3
713.15277	3.5
739.16852	2.4
865.20038	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	17.6
63.31934	1.2
69.03439	2.1
71.01378	26.8
72.99311	2.9
73.02926	5.1
80.02676	1.3
81.03435	1.3
83.01372	4.1
83.57543	1.2
85.02948	7.6
87.00868	4.7
89.02443	24.3
95.01345	2.4
97.02943	5.2
98.20758	2.2
99.00864	3.4
101.02441	20.9
111.08154	2.3
113.02446	13.3
116.92826	2.9
119.03507	7.3
125.02425	6.0
141.01917	1.1
143.03459	3.3
161.04547	6.1
165.12810	6.2
179.05548	4.8
183.13889	59.2
184.14195	3.5
185.11827	3.3
195.13898	3.4
199.13416	11.4
209.11826	21.3
221.06607	2.7
223.13358	2.9
227.12874	38.7
228.13211	2.6
229.14359	1.9
229.24060	1.4
235.08247	5.1
253.09309	8.8
253.13104	1.3
255.23264	67.1
256.23657	4.8
275.20135	2.5
279.23462	1.8
289.17874	1.3
291.19647	43.1
292.19894	4.5
293.21210	38.0
294.21472	3.4
305.08585	1.6
315.19672	1.4
327.21799	1.8
379.12384	4.4
397.13443	29.9
398.13757	2.2
415.14322	8.5
527.28229	4.3
607.25916	4.9
625.27197	3.7
644.84369	1.3
653.37714	1.4
863.49982	100.0
864.50427	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94956	0.1
61.98830	100.0
62.98539	0.1
69.41360	0.5
69.41766	0.2
71.01379	0.2
79.95751	0.3
80.96504	0.8
87.90141	0.1
94.98119	0.3
98.20613	0.2
101.02445	0.1
118.42023	0.1
119.99484	0.1
124.01755	0.1
152.98633	0.1
154.41284	0.1
164.98618	0.1
165.12837	0.1
197.11908	0.3
209.11835	0.1
225.00787	0.3
238.82379	0.1
253.09444	0.4
255.23343	0.2
274.65796	0.1
277.21750	1.6
291.19611	0.6
309.20718	1.4
389.61002	0.1
865.50098	1.3
877.32300	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.6
69.03445	0.9
69.83485	0.5
69.83884	1.3
71.01383	16.1
72.99303	1.2
73.02938	3.0
75.00864	0.4
80.02671	1.3
81.03048	0.3
81.03449	1.6
83.01378	2.0
83.05025	4.8
84.02161	0.7
85.02946	4.2
87.00877	4.2
89.02447	13.7
91.03996	0.3
95.01395	1.1
95.05015	0.8
97.02959	2.6
98.20650	0.4
99.00875	0.8
101.02444	11.7
102.02807	0.5
111.00829	0.4
111.04514	0.6
113.02452	7.1
119.03507	3.9
121.02918	0.4
125.02451	5.4
125.06106	0.5
127.03937	0.4
131.03484	0.6
133.05099	0.6
135.08151	0.5
139.03996	0.8
143.03510	2.5
146.15788	0.3
147.11682	0.4
149.04512	0.5
156.99573	0.3
161.04549	3.2
163.11308	3.6
165.12862	2.0
167.03458	0.5
179.05618	3.4
181.12335	0.5
185.04424	0.4
191.10812	0.7
193.95203	0.3
199.06036	0.5
209.11829	100.0
210.12164	5.2
217.07094	0.8
221.06592	1.4
227.12891	12.6
227.15155	0.6
228.13275	0.8
235.08238	5.9
245.06601	0.5
250.81384	0.3
251.12981	0.4
253.09322	0.7
255.23299	54.0
256.23651	4.7
259.08173	0.8
263.07681	0.5
269.24817	0.6
287.07776	1.9
305.08865	1.8
323.09824	1.3
361.11130	0.4
363.16882	0.4
379.12427	6.5
380.12729	0.6
397.13507	39.9
398.13806	3.7
415.14557	8.2
416.14902	0.5
589.24823	0.5
607.25946	0.7
653.37683	1.7
654.37341	0.5
863.49487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70867	0.3
61.98808	0.8
64.52203	0.3
69.03450	1.1
71.01382	16.5
71.05018	0.5
72.01696	0.4
72.99308	1.2
73.02943	3.0
75.00879	0.3
78.95930	0.4
80.02679	1.0
81.03472	1.6
83.01388	1.9
83.05021	5.3
84.02171	0.5
85.02950	4.3
87.00877	4.5
89.02445	15.5
93.03471	0.5
95.01408	1.5
95.05052	0.6
96.14689	0.3
97.02946	2.7
99.00884	0.8
101.02444	12.4
102.51169	0.3
111.04542	0.6
113.02455	6.8
119.03500	3.7
123.04520	0.4
125.02446	5.1
125.06091	0.7
131.03540	0.6
133.05084	0.5
137.02467	0.4
139.03984	0.4
141.01877	0.5
143.03479	2.8
145.04987	0.3
149.02480	0.4
149.04582	0.6
161.04565	3.8
163.11281	4.5
165.12881	2.2
167.03456	0.5
179.05618	3.8
181.12286	0.8
191.10814	0.6
199.06093	0.4
199.13394	0.9
207.10211	0.3
209.11818	100.0
210.12189	6.0
217.07100	0.7
221.06682	1.0
225.11385	0.4
227.12878	17.3
228.13208	1.1
235.08220	5.5
253.09317	1.1
255.23288	57.1
256.23639	5.3
259.08038	0.3
263.07785	0.6
269.24896	1.3
270.25031	0.5
287.07712	2.4
291.19598	0.9
293.21173	0.6
297.24411	0.4
305.08704	1.6
312.22366	0.3
323.09756	1.1
361.11536	0.4
378.15158	0.3
379.12427	7.4
380.12759	0.9
397.13483	41.6
398.13791	3.8
415.14554	8.7
416.14847	0.7
492.46805	0.3
589.24408	0.5
607.25903	1.1
653.37292	1.7
863.49585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	8.5
63.96234	1.6
65.23672	0.4
69.03435	0.6
71.01390	5.1
73.02940	1.4
78.95903	26.8
78.98582	4.0
79.95738	26.3
80.96515	56.6
81.95283	0.6
82.96053	1.7
83.05016	0.7
83.29890	0.5
85.02954	2.5
87.00869	2.0
94.98090	13.3
96.96015	6.0
96.96959	6.5
97.02947	2.1
101.02443	1.8
106.98105	2.3
111.08150	0.9
120.20343	0.5
122.97577	2.8
125.02476	3.0
125.09715	0.9
134.97586	4.1
136.99127	1.1
148.99149	5.6
152.98479	4.1
152.99667	5.7
164.98602	9.4
167.00058	0.5
169.12320	0.6
171.10237	1.3
196.64610	0.5
197.10214	0.5
197.11787	2.9
206.99661	2.4
211.13397	5.2
220.35490	0.5
223.00136	2.3
225.00717	15.4
225.02963	0.8
241.01204	13.2
242.01601	0.6
255.23289	15.7
256.23630	1.5
259.02182	0.9
283.04993	0.9
289.18173	0.6
291.19662	5.5
309.20752	1.9
337.04166	0.5
341.05408	1.9
355.06937	0.6
391.22604	1.2
397.11444	0.6
411.32874	0.5
425.14978	1.0
526.94159	0.7
537.26971	1.6
553.27411	1.1
607.24390	1.5
777.41046	4.7
845.47864	2.4
863.48596	100.0
864.48871	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37800	0.5
65.44131	0.5
69.03454	1.2
71.49374	0.8
71.49760	0.6
73.78463	0.5
78.95902	77.0
80.96485	0.6
83.05061	0.7
96.96961	16.3
97.02949	0.7
111.08148	2.8
125.09706	0.9
134.98529	0.8
152.99582	18.1
165.12744	0.9
167.10764	0.7
169.12343	2.7
171.10201	1.2
177.12689	0.6
181.12325	0.7
185.11749	1.0
195.13860	1.7
197.11830	17.3
205.12228	0.8
209.11885	1.0
211.13319	5.0
223.00084	6.1
223.13438	2.8
241.01180	32.9
242.01503	1.2
247.20671	0.9
251.10318	0.6
255.02734	0.9
255.23285	47.1
256.23615	4.7
259.02203	2.8
291.19632	7.8
295.22891	0.8
297.03802	1.4
309.20746	5.1
315.05170	0.7
391.22491	3.3
445.20126	1.6
553.27838	4.0
607.25037	1.4
699.46533	0.6
777.42035	5.0
778.41846	0.8
845.47687	3.7
863.49237	100.0
864.49683	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	7.9
61.98831	100.0
71.01397	7.7
72.99300	4.0
75.00875	42.8
76.44636	1.6
78.95901	5.1
84.01440	1.5
87.00880	2.1
88.98808	52.7
89.02447	8.2
94.36056	1.5
96.96001	4.0
97.23821	1.6
101.02458	3.3
105.01924	5.2
125.02426	3.7
152.99567	1.6
161.04590	2.2
170.06479	1.9
171.10236	7.8
195.13939	3.8
196.72694	1.4
197.11813	1.9
205.12288	2.7
207.10333	2.0
209.11816	6.6
211.13377	3.4
223.13397	28.5
224.13617	1.9
253.09380	2.0
311.22192	4.1
379.12305	1.8
397.13687	10.2
415.14520	1.7
603.26508	4.9
621.27710	6.9
827.40448	4.4
863.38818	7.6
864.38593	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	862.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98529	0.2
68.76701	0.1
71.01400	0.1
74.52203	0.1
79.95737	0.1
80.96526	0.3
83.28641	0.1
101.02473	0.1
111.70004	0.1
116.92866	0.2
117.83101	0.1
133.55272	0.1
141.12082	0.1
163.11301	0.1
191.14470	0.1
209.11850	0.1
221.34167	0.1
225.00726	0.1
235.08266	0.1
253.09254	0.2
255.23222	0.1
277.21729	1.6
289.18106	0.6
307.19150	0.6
471.81128	0.1
489.65961	0.1
645.69244	0.1
862.48938	0.1
863.49194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	2.1
65.00335	4.1
71.01387	10.5
71.52014	0.7
71.52403	0.8
72.99345	0.5
73.02937	0.9
81.03436	0.7
83.01376	3.0
85.02954	2.0
87.00884	1.4
89.02444	14.2
93.03443	0.9
95.01369	1.6
99.04540	2.2
101.02435	5.8
107.01389	5.3
111.00867	1.5
113.02463	3.2
117.03466	1.1
119.03511	7.3
123.00904	1.8
123.04530	1.0
124.01663	7.1
125.02453	10.3
133.02925	0.6
134.03745	1.6
135.04555	2.7
137.02425	1.7
139.00381	2.4
143.03503	1.2
143.25481	0.6
149.04601	1.2
151.00365	19.2
152.01154	49.9
153.01605	1.8
160.03978	0.7
161.02463	0.8
161.04581	1.5
161.13364	4.4
169.01451	1.4
173.06073	1.1
178.22762	0.6
178.99855	57.1
179.05603	6.3
180.00308	2.1
193.01320	0.7
197.06053	0.8
205.12335	10.3
215.07193	1.0
225.05609	1.2
241.05049	0.9
243.03070	0.6
243.06479	1.3
245.04549	0.6
249.11293	20.7
250.11615	1.1
259.06085	17.8
260.06448	1.2
269.04544	37.6
270.04895	2.6
285.04578	0.6
286.04840	4.5
287.05621	10.5
288.06021	0.8
385.18723	1.8
412.80624	0.6
416.03421	0.6
429.17627	15.9
430.17978	1.9
433.11374	100.0
434.11722	12.0
693.12579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97913	2.6
61.98828	70.6
69.68938	17.5
71.01391	7.5
73.02959	4.2
77.11262	3.1
85.02938	8.0
89.02462	7.5
98.19984	4.7
101.02436	7.4
102.77714	2.9
113.02414	4.4
132.61093	2.9
161.04527	3.3
171.10243	13.4
207.10201	6.6
225.11320	3.9
235.08218	21.0
247.11345	3.2
253.09209	14.5
255.23280	100.0
256.23608	8.7
309.20575	4.7
327.21725	37.7
328.22092	4.8
397.13379	8.9
415.14462	3.4
471.68655	3.2
545.29675	4.7
697.80353	3.3
861.47839	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	861.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	76.2
63.44995	4.8
68.07151	5.0
71.00484	4.9
71.01379	27.7
71.56599	5.0
73.02929	7.4
81.38507	4.9
83.05009	5.6
85.02985	8.4
87.00891	10.0
88.63657	5.0
89.02441	25.1
97.02944	16.4
99.00887	7.1
101.02443	24.2
109.06620	26.5
113.02436	15.2
116.92862	11.1
125.02418	12.3
139.12653	5.3
163.11246	18.7
179.05682	6.2
207.10274	100.0
225.11314	48.5
229.24844	5.7
235.08177	21.9
253.09282	23.6
255.23296	93.0
263.93256	5.4
279.23315	63.3
280.23633	7.4
291.19662	31.7
292.20053	7.6
309.20731	9.7
327.21686	51.0
379.12198	7.0
397.13654	65.8
415.14685	11.7
515.32001	7.9
605.24548	7.6
856.14374	6.1
861.48834	78.8
862.49664	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	64.4
65.95553	0.4
67.57948	0.5
68.99808	0.5
69.03456	2.2
71.01378	21.3
71.05015	2.7
71.49864	0.8
72.01715	0.6
72.99317	1.5
73.02942	3.5
75.00874	1.4
81.03466	1.9
83.00935	0.5
83.01372	2.7
83.05025	1.3
85.02951	5.6
87.00883	7.1
89.02441	12.4
92.57127	0.5
95.01392	2.4
95.05018	1.1
97.02946	12.6
97.06583	3.3
99.00877	26.4
100.01233	0.5
101.02438	12.6
106.04282	0.7
109.02949	0.4
109.06587	5.0
110.03711	1.7
111.00858	0.6
111.04518	0.7
113.02446	7.1
116.92835	0.7
119.03520	3.4
121.02951	0.7
121.06577	0.5
123.04571	0.8
123.08163	1.6
124.01657	0.6
125.02434	9.1
125.09737	8.6
135.08179	1.7
136.05286	2.1
139.04018	0.7
142.02731	3.2
143.03517	2.6
145.05072	0.5
145.10213	0.8
149.04520	0.5
161.04536	2.9
161.09727	1.6
163.11285	13.2
164.11649	0.8
165.79181	0.4
173.77611	0.5
179.05598	2.3
179.10727	0.7
181.12337	20.3
182.12624	1.2
189.09270	0.7
197.11948	0.6
199.13382	3.1
207.10249	68.8
208.10652	4.9
209.11790	0.6
217.07085	0.6
218.01030	0.5
221.06609	1.3
222.48547	0.5
223.13248	0.9
225.11305	100.0
226.11653	5.6
235.08237	3.8
239.12866	0.7
243.12360	34.3
244.12611	1.5
253.09340	1.2
255.23280	80.9
256.23615	7.5
263.07675	1.9
267.12247	0.6
287.07574	1.0
299.15042	0.9
305.08826	0.9
317.16061	1.0
379.12466	3.9
397.13440	17.1
398.13803	1.5
415.14545	3.7
461.20435	1.1
555.38556	0.6
605.24487	18.8
606.24402	2.6
623.25568	9.3
624.25800	1.8
653.37701	1.1
699.43555	0.7
734.16248	0.6
861.48431	88.9
862.48785	28.8
862.65839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75775	0.8
61.98830	3.4
63.96231	2.8
66.81459	1.1
71.01382	11.6
73.02945	1.6
76.32526	0.9
78.95901	17.5
78.98589	6.5
79.95736	33.5
80.96519	83.6
85.02956	3.6
87.00878	3.7
93.97258	0.9
94.98088	17.0
96.21368	0.9
96.96015	3.4
96.96977	1.0
97.02958	2.3
99.92587	2.0
101.02460	1.6
102.10582	0.9
106.98084	3.1
115.92046	4.6
116.92841	3.3
122.97596	6.6
125.02474	2.3
134.97598	4.6
136.99142	2.1
148.99133	7.3
152.98604	4.6
152.99628	2.5
164.98634	10.9
178.88611	0.9
179.89267	4.6
180.90041	2.4
196.89459	5.5
203.97575	0.9
206.99687	3.4
225.00726	18.5
229.06543	1.2
255.23325	3.3
262.72772	1.1
283.04904	2.2
283.26489	1.8
341.05405	1.5
345.96661	1.2
521.30463	1.0
565.30359	1.6
823.38660	1.4
824.38330	1.2
859.52814	100.0
860.53406	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	859.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	20.1
63.30273	0.4
68.95448	0.5
68.99557	0.6
69.03448	3.6
71.01381	22.8
71.05030	0.9
72.99319	2.2
73.02941	3.9
75.00874	0.7
75.03804	0.5
81.03487	1.2
83.01401	2.4
83.05044	0.6
85.02944	5.2
87.00883	5.7
89.02444	18.7
91.04035	0.5
95.01423	1.9
97.02967	3.1
99.00902	0.8
101.02444	18.1
111.08231	0.5
112.98592	0.8
113.02451	10.0
119.03483	4.4
125.02445	7.2
125.09787	0.6
131.03493	1.0
133.05107	0.9
139.04039	0.7
143.03482	2.9
145.05106	0.7
149.04568	0.5
161.04546	4.4
167.10745	3.5
177.12906	0.7
179.05598	5.4
179.10779	0.9
179.14400	2.2
185.04575	0.6
192.35626	0.5
195.13910	9.2
196.14087	0.5
205.12329	8.7
217.07269	1.4
221.06694	1.6
223.13383	100.0
224.13745	4.8
235.08212	7.0
249.57465	0.4
253.09236	0.6
255.23279	71.1
256.23615	5.6
263.07785	1.1
269.24893	0.6
287.07687	2.0
305.08798	2.4
323.09766	1.6
359.40805	0.5
379.08041	0.8
379.12454	10.2
380.12598	1.0
397.13486	55.1
398.13770	4.4
415.14545	12.1
416.14819	0.5
431.97620	0.5
505.92175	0.5
603.26654	6.2
604.27014	1.5
621.27612	4.9
622.28125	1.0
635.36298	1.9
653.37628	4.6
654.38013	0.8
859.49921	2.8
860.52344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	14.5
63.84252	0.4
65.25410	0.4
69.03445	3.9
71.01382	24.1
71.05029	0.6
71.33649	0.5
72.99327	2.1
73.02943	3.5
75.00854	1.1
78.12620	0.4
81.03446	0.6
82.15099	0.4
83.01389	2.3
85.02942	5.1
85.06582	0.5
87.00874	5.8
89.02444	20.8
93.03448	0.5
95.01391	1.9
95.05040	0.6
97.02955	4.4
97.06568	0.4
99.00883	1.4
101.02448	18.1
109.02980	0.7
109.06603	0.5
111.00876	0.6
113.02452	10.4
115.04015	0.5
119.03493	5.5
121.02950	0.4
121.77101	0.3
125.02450	8.2
129.74934	0.4
133.04964	0.5
135.11815	0.4
139.04042	0.6
141.01959	0.8
143.03503	2.9
149.04546	0.7
149.09708	0.7
161.04547	4.0
167.03497	0.6
167.10762	2.6
177.12860	0.9
179.05626	5.6
179.10818	0.7
179.14397	3.2
195.13892	9.5
199.06250	0.5
205.12321	9.4
206.12682	0.4
217.07164	1.0
218.03964	0.4
221.06636	1.3
223.13387	100.0
224.13704	6.0
235.08228	6.6
245.06509	0.5
253.09303	1.1
255.23288	73.3
256.23657	5.7
263.07785	0.5
266.96277	0.4
269.24786	0.5
287.07733	2.3
294.83954	0.5
297.24286	0.6
305.08749	2.1
323.09851	1.5
361.11285	0.5
379.12408	10.0
380.12814	0.7
397.13504	53.4
398.13776	3.9
415.14609	9.7
415.19308	0.3
416.14938	0.9
603.26514	7.0
604.27539	0.7
621.27649	4.9
635.36536	1.1
653.37372	3.9
654.37946	0.9
781.11591	0.4
859.51172	2.7
860.50360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69728	0.6
62.64911	0.6
66.44045	0.6
67.36109	0.7
70.70321	1.3
70.70655	0.9
71.01377	10.2
72.99292	1.5
73.02960	1.9
75.32590	0.7
83.01394	0.8
83.05000	0.7
85.02953	5.5
87.00893	0.8
89.02448	3.4
95.01375	1.4
99.00890	2.3
101.02441	4.8
108.02173	50.6
109.02963	15.0
110.72475	0.7
113.02454	3.7
115.53064	0.7
119.04982	0.7
121.02940	1.0
123.04507	1.0
125.02483	1.6
133.02911	1.6
134.03723	0.7
135.04526	1.7
149.02402	0.9
151.00386	1.6
151.04010	2.6
152.01147	100.0
153.01923	7.1
161.02419	1.1
161.04553	2.5
161.13344	1.3
163.04002	5.6
165.01993	1.1
172.50612	0.7
177.01941	1.9
179.03511	1.4
205.12347	1.7
229.50066	0.7
271.08298	1.1
315.07193	2.3
429.10349	6.4
430.10614	1.0
447.11429	21.7
448.11743	1.6
475.57727	0.7
523.82611	0.8
635.23267	2.7
679.22504	8.4
680.22137	1.3
859.28662	56.8
860.29022	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	859.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	23.5
71.01369	5.3
98.61911	5.4
116.92860	5.8
117.12345	4.2
161.04564	5.0
164.91026	4.9
171.10249	16.3
180.86183	5.4
206.39835	4.5
217.24893	4.3
229.50999	6.6
235.08257	9.3
253.09203	36.4
254.09886	4.6
255.23244	10.4
256.58060	4.4
277.21747	63.9
309.20703	21.0
327.21713	100.0
328.22037	12.0
545.29913	16.9
563.30426	24.5
614.92859	5.4
823.51929	7.4
859.49335	29.5
879.38727	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	857.483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70698	6.4
61.98830	63.9
65.97417	6.8
67.55560	7.3
71.01398	7.7
72.99308	11.8
88.98795	13.0
97.18111	6.0
102.87229	6.0
105.01926	100.0
114.89381	6.2
116.92864	45.2
120.55804	5.7
121.02942	22.4
128.43301	6.0
171.10281	13.9
211.13405	55.7
217.53389	6.7
235.08044	9.7
240.95445	6.2
253.09241	21.1
255.23105	8.2
257.87003	7.3
265.88153	7.4
273.00006	6.5
291.19662	76.9
292.20078	7.8
293.21170	82.2
294.21387	14.4
295.22772	12.1
309.20868	12.0
318.03549	7.2
331.40271	6.3
447.21988	9.2
493.33755	6.7
527.28235	12.5
531.11493	6.4
803.50079	10.0
857.48285	33.2
858.47900	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	857.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09257	10.3
67.59631	9.2
71.26341	19.0
72.46465	11.6
93.41434	9.8
105.51614	10.7
116.92802	12.1
149.95740	9.9
186.80457	10.4
197.11734	21.6
253.09206	30.7
275.20346	11.1
291.19641	24.7
293.21170	100.0
295.22754	13.5
309.20813	78.6
593.61987	11.5
751.35809	11.6
790.20551	12.6
857.48846	57.1
858.48163	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98803	3.5
76.53628	1.9
85.56928	2.1
101.02422	2.8
109.58889	1.8
109.73482	2.0
111.08173	2.8
164.15027	1.9
195.13910	8.0
223.13309	2.9
235.08202	3.0
253.09299	17.5
256.13293	2.3
275.20050	3.6
291.19653	98.5
292.19992	7.2
293.21219	100.0
294.21503	10.3
527.28015	4.0
529.30109	2.3
568.70135	2.0
598.51660	2.6
824.72601	2.3
857.47168	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	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93313	0.6
60.93665	0.6
61.98824	1.8
66.74811	0.7
67.83652	0.7
69.03458	2.4
71.01385	7.7
71.05047	1.0
71.59794	0.6
73.02935	1.3
74.51682	0.7
79.29241	0.6
83.01396	1.9
83.05019	1.5
85.02956	9.5
86.23121	0.7
87.00880	1.6
89.02444	5.9
95.05023	1.4
96.96002	0.8
97.02943	1.6
97.06602	4.0
101.02433	7.4
109.06558	1.3
111.08167	8.8
113.02466	3.5
116.92864	6.6
119.03526	1.5
125.09701	1.4
125.53355	0.6
127.11324	1.8
131.04602	1.6
132.03030	1.1
137.09709	2.6
143.03496	0.7
145.05086	0.8
155.10681	1.1
158.64049	0.7
161.04541	2.6
165.12868	1.0
167.06859	0.7
167.10825	1.2
167.14438	1.0
171.08801	1.3
171.10265	22.9
172.10591	1.1
177.12830	2.3
179.10796	1.5
179.38959	0.7
183.13879	2.8
185.11784	2.3
193.12305	1.3
195.13866	5.5
197.11787	2.6
201.11319	1.4
209.11819	7.6
211.13388	16.7
212.13734	1.4
219.54454	0.7
221.11865	2.7
227.12805	1.1
229.14438	11.4
229.26123	0.8
235.08176	6.2
239.12918	1.6
247.16124	0.7
247.20697	3.0
253.09268	23.5
254.09526	1.1
273.18472	1.0
275.20166	2.1
291.19653	86.9
292.20004	8.0
293.21198	3.9
309.20709	10.6
310.20972	1.6
311.22235	0.9
325.97345	0.7
327.21747	100.0
328.22083	9.8
396.11716	0.7
443.70764	0.7
527.28522	1.3
563.31171	1.5
564.31329	1.0
781.31482	0.8
794.62646	0.8
807.46210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
68.99563	26.5
71.26573	31.5
84.15772	13.8
98.20130	24.7
98.20728	17.7
112.98534	31.2
289.18091	20.2
293.21210	70.1
307.19000	34.6
368.10538	15.8
793.25189	17.7
855.46765	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	55.6
68.99558	20.4
70.97242	14.2
70.97561	34.0
185.66631	13.8
197.11790	35.4
213.28140	15.0
253.09210	34.5
277.21701	19.2
289.18066	59.6
291.19739	47.4
293.21143	100.0
307.19150	34.9
309.20779	34.0
855.47900	79.7
856.47137	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	855.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	52.2
65.29025	5.5
70.08660	6.6
71.01392	6.4
78.95876	8.5
80.01020	6.7
113.09692	10.8
116.92804	14.6
117.92844	6.7
122.59650	6.1
160.40637	5.7
172.57098	6.8
209.11742	14.4
211.13190	7.1
229.50044	8.3
253.09235	19.3
260.02484	6.8
277.21741	16.2
289.18036	17.8
291.19611	24.5
293.21255	100.0
294.21536	7.1
305.17749	6.5
307.19162	27.6
309.20590	9.5
418.15106	6.5
681.84308	6.5
707.01935	6.0
855.47095	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03500	2.5
71.01381	8.7
71.05022	0.6
71.27438	1.1
73.02982	2.1
81.03466	0.8
83.01444	1.6
83.05055	1.9
85.02947	9.3
87.00928	2.0
89.02456	5.0
91.04015	0.6
95.01414	0.7
95.05111	0.8
96.96043	1.2
97.02947	5.6
97.06609	3.2
101.02433	7.7
107.05032	0.7
109.02966	0.6
109.06644	0.7
110.03779	0.8
111.08138	5.4
113.02448	3.9
119.03513	1.3
119.08643	0.9
125.09763	2.3
127.07620	0.6
127.11323	2.1
137.09726	4.2
141.25597	0.6
145.05046	0.8
153.12814	0.8
155.10860	1.4
155.14362	0.7
161.04553	3.7
163.11275	1.3
165.12816	3.8
167.10883	0.7
169.12350	2.0
171.10262	31.9
172.10574	1.3
177.12851	1.0
179.05650	0.8
179.14445	0.7
181.12422	1.3
183.13940	3.1
185.11797	1.0
193.12355	1.3
195.14032	0.7
197.11819	28.0
198.12141	1.4
199.13440	2.2
201.11345	1.9
203.10760	0.6
206.14133	0.7
209.11807	3.6
211.13382	19.7
211.15408	1.0
212.13789	1.3
221.11836	1.6
227.12935	2.5
229.14436	8.6
230.14774	1.1
235.08214	12.2
239.12906	1.6
245.16251	0.5
247.20723	3.5
253.09270	36.8
254.09569	2.3
263.20135	1.0
265.18057	0.7
273.18628	1.7
291.19650	37.2
292.19958	3.5
293.21066	1.3
301.87827	0.6
307.18634	0.6
309.20706	95.3
310.21045	9.0
327.21744	100.0
328.22110	10.2
343.21292	1.3
433.20697	0.7
545.29651	5.6
563.30762	5.1
608.49152	0.7
619.42096	4.9
620.41895	1.3
778.09015	0.6
792.62933	0.7
855.51837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.95918	0.3
83.11015	0.2
88.37618	0.2
88.98801	0.7
89.02424	0.3
91.70085	0.2
93.14754	0.2
96.96027	0.9
116.92879	1.1
117.92848	0.3
128.29102	0.2
135.82961	0.2
159.10294	0.6
162.28027	0.2
229.44238	0.3
253.09320	0.4
255.23375	0.5
293.21158	0.5
397.13568	0.5
746.89258	0.2
854.46466	0.2
855.48041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98531	0.2
68.12090	0.1
68.99585	0.1
71.01415	0.1
73.32520	0.1
75.04599	0.1
79.95734	0.5
80.96516	1.2
94.98119	0.2
112.98555	0.1
119.81601	0.1
120.76545	0.1
142.87347	0.1
143.13618	0.1
148.99254	0.1
153.94614	0.1
164.98665	0.3
225.00851	0.2
267.32684	0.1
854.47778	0.5
855.49371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	26.5
62.98538	0.4
63.99234	0.6
69.03456	1.9
70.93320	1.0
71.01385	4.5
71.05014	1.7
72.99300	0.5
73.02924	1.4
78.95888	1.2
80.02695	0.7
81.03465	1.2
83.01378	0.7
83.05019	1.0
84.25191	0.4
85.02952	5.1
87.00874	1.5
89.02446	3.2
92.93896	0.4
95.01388	0.4
95.05021	1.3
96.96014	8.1
96.96658	0.4
96.96973	1.1
97.02939	1.2
97.06578	1.1
98.03693	0.4
101.02444	5.3
106.04214	0.7
109.06597	7.5
111.04543	2.3
111.08143	0.9
113.02467	2.5
119.03495	1.3
119.08638	0.8
121.06558	0.6
123.08128	1.2
125.02426	0.5
125.09731	1.0
125.80668	0.4
127.07659	1.0
127.11295	1.2
135.08174	0.5
137.09735	2.1
143.03503	0.6
143.10779	1.1
145.05060	0.5
145.06621	1.4
149.09714	1.0
150.01472	0.4
151.11307	0.8
155.10809	0.6
160.07100	0.4
161.04526	2.3
163.11226	0.5
165.12831	0.8
165.44998	0.4
167.10774	2.0
171.10265	18.7
177.12820	1.2
179.05649	0.9
179.10748	1.0
181.12363	0.4
183.13889	2.0
185.11792	0.6
191.14499	0.4
193.12364	0.9
195.13933	2.2
197.11789	0.6
201.11304	0.8
203.10770	0.5
209.11879	1.0
211.13382	8.0
212.13643	0.6
221.11844	1.7
229.14441	5.2
235.08209	9.7
235.13280	0.8
245.19150	3.9
249.14987	0.5
253.09274	18.3
254.09506	0.8
271.17068	1.0
273.14905	0.6
281.88495	0.4
287.16586	1.7
289.18085	100.0
290.18427	8.3
291.19623	3.3
307.19180	6.4
308.19537	0.5
309.20755	6.1
310.21207	0.9
325.20212	0.9
327.21753	62.7
328.22076	6.3
386.78125	0.4
433.27338	0.4
525.27020	5.4
525.75690	0.4
545.29633	1.2
563.30688	2.5
571.01532	0.5
599.39417	1.2
739.43262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.5
69.03470	2.3
71.01379	6.4
72.99277	0.6
73.02945	1.1
75.00865	0.6
81.03488	0.7
83.01388	0.6
83.05010	1.4
83.46442	0.5
84.02171	2.6
85.02950	2.1
87.00861	1.5
89.02443	3.8
95.01418	0.7
95.05035	1.1
96.72969	0.5
96.96051	0.6
97.02958	2.2
97.06592	9.9
97.07201	0.7
98.20672	1.5
99.04527	1.2
101.02443	5.6
105.99292	0.4
106.04166	0.5
109.06593	0.6
111.08139	2.0
113.02464	3.3
119.03494	1.8
119.08638	0.6
123.08159	1.0
125.09743	2.6
127.07693	0.8
132.34920	0.5
137.09708	1.1
151.11290	1.0
161.04565	4.2
163.11290	1.6
163.43137	0.5
165.12842	1.1
167.10709	1.1
171.10254	11.8
172.10637	0.6
175.11174	1.0
177.12875	0.7
179.05602	1.4
179.10727	0.5
179.14413	1.2
181.12314	1.0
183.13881	0.6
185.11809	1.9
191.10675	0.5
191.14436	1.0
193.12318	10.7
195.13921	8.2
196.14560	0.7
197.11816	6.1
202.00398	0.5
209.11826	3.2
211.13382	5.6
221.11763	0.9
223.13377	4.9
225.14955	18.9
226.15286	0.7
227.12851	1.2
229.73027	0.6
229.75259	0.5
235.08192	2.0
243.16013	8.2
245.19080	2.1
247.20622	0.5
253.09265	34.2
254.09647	2.3
256.13101	1.1
263.20172	0.8
265.21558	0.6
273.18655	0.7
275.20093	4.5
289.18115	6.5
291.19659	10.6
292.19925	1.1
293.21210	86.6
294.21533	8.0
305.21136	1.2
307.19064	6.0
309.20743	7.4
310.21021	0.8
323.22318	1.0
325.20154	1.6
327.21890	0.7
339.62714	0.6
341.23294	100.0
342.23645	11.9
369.75632	0.6
529.30072	0.8
564.94208	0.5
577.32404	4.2
617.44238	7.9
618.44287	1.6
789.31335	0.6
813.25653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88385	1.2
61.98817	4.9
63.25531	1.1
63.45622	1.1
67.01874	1.5
69.03464	2.7
71.01385	11.0
71.05013	1.5
72.99290	2.4
73.02950	1.3
77.32685	1.4
78.95925	1.3
80.68799	1.2
81.03441	1.8
83.01355	3.1
83.05016	3.9
85.02943	3.4
87.00854	3.3
87.93047	1.4
89.02433	5.2
93.16393	1.2
95.05009	3.7
96.96033	2.1
97.02956	2.5
97.06573	4.9
98.19917	2.8
101.02464	9.3
109.06583	3.8
111.08167	13.5
111.88148	1.2
113.02443	3.6
116.92859	15.2
119.08598	1.7
123.08191	2.7
125.09733	7.4
125.80597	1.2
135.08183	1.5
137.09714	5.3
141.12781	1.8
145.04964	1.8
155.10736	1.8
161.04532	2.0
163.11258	5.6
165.12808	3.4
167.10719	5.1
171.10229	5.4
172.10614	1.4
177.12862	3.6
179.10718	2.8
181.12294	2.2
183.21326	1.4
185.11826	5.7
191.10704	1.7
191.14417	4.7
195.13881	9.8
197.11862	3.5
203.14133	1.3
205.15921	1.5
207.10181	2.9
209.11794	11.5
209.96149	1.3
210.12021	1.4
211.13406	2.1
213.11272	1.6
225.11217	2.5
235.08144	1.4
237.11288	1.8
245.19066	13.9
247.20644	3.9
253.09250	14.4
263.20093	1.6
268.57932	1.3
273.18591	3.2
275.20090	4.4
277.21652	2.8
287.16306	2.2
289.18130	28.5
290.18381	2.4
291.19666	100.0
292.20068	9.2
293.21152	5.6
295.22903	1.8
305.17374	1.2
307.19122	23.5
308.19476	2.2
309.20706	9.8
310.20935	2.3
311.22128	1.6
323.22241	1.5
324.22879	1.7
522.00671	1.6
664.74866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98531	1.7
61.98831	24.6
62.27045	0.8
68.99568	4.1
69.03452	4.3
71.01378	13.9
71.04999	2.4
73.02937	3.9
73.34013	0.8
78.95876	0.9
81.03473	2.5
83.01368	3.0
83.05036	4.5
85.02954	12.7
87.00878	2.6
89.02429	7.5
90.91608	1.0
95.01407	1.3
95.05021	3.3
96.96001	4.0
97.02941	4.2
97.06572	6.3
98.20647	2.5
99.00862	1.2
99.04507	1.2
101.02451	9.6
103.00346	1.2
109.06571	2.6
110.93486	0.8
111.04494	1.5
111.08137	4.1
112.98560	3.8
113.02445	5.7
119.03462	1.9
121.06572	1.3
123.04506	2.7
123.08165	2.6
125.06031	1.1
125.09740	7.7
127.07594	1.1
127.11284	1.9
135.08153	2.5
137.09746	5.0
141.12834	1.8
143.03476	1.4
145.05087	1.6
147.08101	0.9
153.09245	4.8
155.10739	2.5
161.04536	5.2
163.11295	8.0
164.11681	1.1
165.09102	1.8
165.12805	3.8
167.14392	0.9
167.41057	0.8
169.12350	2.6
171.10268	39.7
171.35754	0.9
172.10663	1.6
177.12793	1.2
178.10013	1.0
179.05637	1.6
179.10745	1.3
181.12402	2.1
183.13881	4.3
185.11824	6.8
191.10625	1.2
191.14366	4.9
193.12262	2.8
195.13947	1.3
197.11830	18.3
199.13362	1.9
201.11243	2.2
201.52141	0.9
207.10210	2.2
209.11818	34.7
210.12099	1.7
211.11496	1.2
211.13391	20.8
212.13719	1.2
219.13791	1.1
221.11765	3.8
223.13438	1.4
225.11267	2.5
227.12895	2.7
229.14418	11.4
235.08167	10.2
235.13467	1.2
237.11241	3.2
239.12846	2.1
245.19043	10.5
246.19481	1.2
247.20712	2.0
249.14839	1.2
253.09279	42.2
263.20200	5.8
265.18149	1.5
271.17075	1.7
273.18524	1.3
279.19504	1.3
289.18073	52.8
290.18317	5.0
291.19653	23.8
292.19965	2.4
293.21240	7.5
297.20657	1.3
307.19138	69.6
308.19455	5.2
309.20700	50.8
310.21027	5.0
325.20166	22.9
326.20422	1.6
327.21750	100.0
328.22083	9.6
522.95605	0.9
525.26855	3.5
543.28278	4.2
545.29694	2.5
561.29504	1.3
563.30817	3.0
617.40790	2.6
755.41461	1.3
811.10388	1.0
835.48975	4.1
836.48480	2.4
853.49158	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	853.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	1.7
69.03445	3.9
69.51348	0.7
71.01381	10.3
71.05038	0.6
72.99322	0.9
73.02950	1.6
78.95936	0.8
80.02689	0.8
80.24432	0.6
80.36465	0.7
81.03467	1.4
83.01406	2.9
83.05058	2.4
84.02187	1.7
85.02973	3.0
87.00909	2.1
89.02448	5.9
91.04001	0.8
95.01402	1.0
95.05066	1.1
96.96008	14.1
96.96999	1.1
97.02945	5.1
97.06576	9.9
97.07117	0.7
98.19973	2.9
98.20673	1.5
99.04549	0.8
100.53346	0.6
100.70493	0.7
101.02445	8.2
109.06593	1.2
111.08180	4.0
113.02455	4.3
116.92868	1.0
119.03506	1.7
119.08628	0.9
121.06564	0.7
123.04533	2.4
123.08109	0.8
125.02528	0.9
125.09726	6.3
137.09753	3.3
141.12932	0.7
145.02090	0.8
145.05048	1.4
151.11273	0.8
153.12892	0.8
161.04594	4.2
163.11307	4.0
165.12880	3.9
167.10774	1.6
168.95027	0.7
169.12332	1.0
171.10269	11.5
172.10507	0.9
177.12825	1.4
179.05569	1.1
179.14415	1.4
181.12372	2.1
183.13927	1.4
185.11774	5.2
191.14432	3.6
193.12317	9.9
195.13876	8.7
197.11832	15.2
199.13472	1.1
203.14400	0.7
205.12425	0.7
207.10260	1.3
209.11819	11.9
210.12241	0.7
211.13441	7.2
223.13368	5.8
224.13957	0.8
225.11334	2.3
225.14937	14.4
226.15312	1.0
227.12860	4.5
235.08157	5.6
237.11285	1.2
243.15981	6.9
245.19070	7.8
247.20648	2.2
253.09293	38.8
254.09668	1.6
256.13095	1.3
263.20200	2.2
271.17059	1.3
273.18573	1.8
275.20160	5.2
279.69864	0.9
287.65533	0.7
289.18100	27.2
290.18469	2.0
291.19662	27.6
292.19989	2.8
293.21225	100.0
294.21606	8.3
307.19110	19.7
308.19507	1.4
309.20718	28.7
310.21106	2.6
311.22037	0.7
323.22339	1.2
341.23294	88.8
342.23663	7.6
472.97070	0.6
529.29883	1.7
577.32196	3.7
617.44360	6.1
618.44196	0.9
779.33154	0.7
834.83752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98527	0.1
66.17510	0.1
69.07584	0.1
70.23095	0.4
89.12583	0.1
93.30563	0.1
305.11169	0.1
320.41290	0.1
577.68268	0.1
867.00677	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	853.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.1
71.51188	1.6
72.99321	1.0
81.03453	15.2
83.05029	8.1
85.02946	1.5
93.03438	6.2
98.81194	1.0
109.02952	7.2
111.04519	54.5
112.04868	2.3
117.03457	1.2
127.04012	99.5
128.04347	3.5
132.03011	1.4
134.03755	11.5
137.02440	8.5
155.03500	85.6
156.03850	2.6
193.05057	4.2
199.02473	100.0
200.02802	5.3
211.75322	1.0
217.03464	4.1
258.27621	1.0
276.45566	1.1
299.22946	0.9
393.08276	6.4
394.08673	1.2
459.14813	2.4
521.75598	1.0
706.19769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	37.8
63.96254	1.5
71.01384	7.1
73.02949	2.9
78.95900	3.8
78.98599	7.3
79.95738	39.4
80.96519	97.5
85.02939	2.1
87.00874	2.6
87.60825	1.5
94.98087	20.5
96.96033	2.8
101.02437	3.3
106.98070	3.2
122.97569	5.3
125.02409	4.2
134.97595	7.5
136.99159	2.0
148.99136	5.3
152.98599	6.4
164.39537	1.3
164.98636	10.3
196.89447	2.2
206.99666	4.3
225.00706	21.8
283.04807	2.4
393.86017	1.6
559.26196	3.5
659.31042	2.0
719.66638	1.6
766.04559	2.1
844.60266	1.8
853.47784	100.0
854.48181	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77106	0.1
59.97658	0.1
61.98829	100.0
62.98513	0.2
63.99273	0.1
64.83717	0.1
67.68703	0.1
69.38705	0.3
69.39109	0.8
71.12549	0.1
78.95909	0.2
89.45606	0.2
97.24866	0.2
113.34475	0.1
133.82935	0.2
153.93015	0.2
164.08629	0.1
177.46071	0.1
263.11005	0.1
309.07608	0.1
315.80029	0.1
323.54114	0.1
339.03021	0.2
381.18048	0.1
381.44943	0.2
678.05798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.6
61.53325	2.1
61.98825	14.1
67.53159	2.1
69.03461	8.5
69.68233	13.5
71.01382	32.0
71.05013	7.0
72.99315	3.6
73.02950	8.3
75.74370	2.2
81.03471	3.7
83.01393	6.9
83.05022	5.5
85.02956	9.1
85.74491	2.1
87.00883	7.4
87.04510	6.8
89.02455	16.9
93.03447	2.4
95.01337	2.6
95.05022	9.4
97.02931	17.8
97.06587	11.0
98.20537	4.8
99.04510	16.7
99.92604	4.7
101.02453	21.6
106.04288	3.2
107.05044	3.9
107.64313	2.5
109.03004	3.8
109.06584	5.0
111.00874	5.1
111.04554	4.3
111.08174	9.2
113.02457	12.8
113.06114	2.6
116.92878	16.3
119.03464	4.0
119.08624	2.8
121.02954	3.7
121.06586	7.2
122.03720	3.2
123.04502	4.6
123.08147	8.4
125.02443	9.8
125.06083	3.6
125.09754	22.8
135.08170	9.5
137.09711	9.1
139.07655	5.2
139.11218	4.8
141.09236	2.7
143.03549	3.1
149.06056	2.7
151.11275	4.1
153.09196	9.3
155.10786	22.4
161.04610	6.5
163.11279	9.5
165.09190	5.6
165.12834	8.8
167.10770	3.7
171.10251	19.8
177.09181	2.5
177.12851	6.6
179.10651	2.6
179.14383	5.3
181.12373	5.3
183.10257	12.0
185.11827	5.8
189.12819	4.9
191.14429	7.1
195.10281	3.6
195.13873	25.1
196.14156	2.8
197.11821	17.8
199.09789	12.9
201.11339	6.6
203.10829	5.2
207.10243	4.1
207.14005	2.9
209.11844	15.6
211.13394	8.9
213.11317	31.2
221.11787	8.5
223.13390	14.8
225.11342	8.1
227.12877	7.5
233.11855	4.0
235.08243	7.8
235.13434	10.8
237.14966	8.9
239.12920	4.9
243.17517	4.7
245.11903	4.7
245.19174	5.0
247.13385	5.8
247.20659	7.1
251.12866	8.5
251.16536	3.6
253.09299	44.8
253.14418	9.3
254.09537	3.5
256.12949	2.9
259.17194	3.1
261.18649	4.5
263.12875	11.9
265.14249	3.0
273.18503	5.5
275.20117	9.2
277.18033	6.6
279.19681	6.6
281.13989	4.2
285.15005	5.9
287.16605	17.4
289.18079	16.2
291.19662	84.1
292.19958	7.6
293.21219	91.9
294.21558	11.2
303.16080	17.7
305.17615	32.5
307.19153	13.7
309.20703	100.0
310.21082	10.6
321.17065	3.8
323.18625	39.3
323.22357	8.9
324.18777	3.6
419.19180	7.8
517.22809	3.3
541.26514	4.6
704.25385	2.9
728.38672	2.4
751.42963	5.8
793.43579	4.2
833.47021	3.5
851.50519	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	850.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.99249	0.1
70.75635	0.1
71.01366	0.1
83.81809	0.1
129.16765	0.1
171.10284	0.1
209.11888	0.2
210.21555	0.1
229.14835	0.1
275.09045	0.1
596.22021	0.1
653.51721	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.6
61.46707	2.7
61.98824	21.9
68.99583	4.9
71.01388	5.0
71.49810	3.9
76.49285	3.0
78.95918	4.8
101.02460	2.9
102.36913	3.1
109.62242	2.8
112.98618	3.5
186.96919	2.6
195.13869	10.4
235.08195	3.8
242.36917	2.6
253.09209	19.9
257.59631	2.8
265.07483	3.2
275.20123	11.4
277.21719	100.0
278.22101	11.3
293.21210	91.4
294.21564	6.3
342.24622	3.1
389.51443	3.0
463.57928	3.5
658.07928	3.8
849.48639	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	850.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98829	100.0
62.98531	0.2
63.99263	0.2
68.99538	0.2
69.17733	0.1
71.01380	0.4
71.05041	0.1
78.91897	0.2
78.95921	0.4
84.59617	0.1
89.02444	0.2
96.96012	0.6
96.96997	0.3
98.95631	0.1
99.41824	0.1
101.02481	0.1
108.38568	0.1
113.02477	0.2
116.92833	0.1
125.02497	0.2
125.13037	0.1
149.03667	0.1
171.10294	0.5
178.01559	0.1
197.11765	0.1
205.50072	0.1
209.11838	0.7
223.13478	0.2
225.11475	0.3
253.09395	0.4
282.10635	0.1
287.16611	0.2
289.14990	0.1
289.18268	0.4
291.19736	0.5
293.21350	0.2
305.17715	0.5
307.19327	0.3
309.20880	0.3
323.18777	0.2
850.49286	0.1
851.40540	0.2
862.46527	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	850.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98536	0.2
64.12241	0.1
67.42025	0.2
71.01382	0.2
78.95905	0.2
79.52787	0.1
82.61697	0.1
96.36607	0.1
96.96015	0.4
101.02473	0.1
112.98530	0.1
171.10361	0.2
181.12198	0.1
197.11874	0.2
207.10280	0.1
209.11873	0.3
225.11435	0.2
253.09235	0.3
287.16592	0.1
289.18185	0.2
291.19766	0.2
295.62155	0.1
305.17810	0.2
307.19305	0.3
309.20746	0.4
316.93234	0.1
323.18445	0.2
325.20288	0.2
335.87146	0.1
850.50751	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	25.4
70.21776	2.8
70.22166	3.3
78.95900	59.4
79.95748	2.9
80.96512	5.9
81.50510	1.5
82.96105	2.0
94.98090	2.4
96.96957	12.0
104.94842	1.3
118.89557	1.5
122.97523	2.5
152.99577	11.7
195.13901	10.2
196.89247	1.5
223.00102	4.5
225.00667	2.5
241.01163	24.9
255.23242	37.2
256.23566	5.8
259.02023	2.1
277.21713	8.6
295.22757	24.1
296.86755	1.7
431.22342	2.8
553.27728	4.1
569.74506	1.6
849.51172	100.0
850.51617	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	849.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.9
60.70640	1.4
61.98830	15.4
62.61895	1.4
66.35558	1.4
71.01379	21.0
71.49815	2.4
72.99281	1.5
73.02935	4.4
75.00863	1.5
78.95934	2.5
80.36906	1.3
81.03437	1.6
85.02953	4.5
87.00885	5.7
89.02449	15.8
95.01414	2.6
95.05060	2.2
97.02941	3.2
97.06570	3.8
99.00858	2.2
101.02429	16.5
109.43117	1.4
111.08146	10.8
112.30568	1.5
113.02417	6.9
116.92882	2.3
119.03502	4.3
125.02454	3.5
127.07625	1.5
143.03485	2.2
151.11308	9.1
161.04527	6.1
169.12338	34.7
170.12663	1.8
171.10274	2.0
175.07230	1.6
179.05588	2.7
188.03734	1.7
189.88737	1.6
195.13931	7.7
197.11806	13.8
197.15488	3.5
211.13361	4.3
213.11356	7.4
221.06685	2.1
223.13364	4.4
223.17043	6.6
225.14958	43.0
226.15289	2.2
227.16609	2.2
235.08205	3.9
239.16464	7.8
251.16673	2.6
253.09288	51.3
254.09598	1.7
255.23286	44.3
256.23633	5.3
275.20169	7.2
289.17926	2.2
291.19690	12.8
291.22873	2.9
292.20090	2.6
293.21213	100.0
294.21497	7.3
301.21701	2.1
303.23285	5.3
309.20688	35.3
310.21014	2.5
319.22794	20.1
320.22946	2.5
321.24313	60.5
322.24652	6.9
323.22330	1.9
337.23819	78.0
338.24197	10.7
397.13525	5.1
466.00400	1.7
593.24231	2.1
613.44598	3.8
713.51880	2.3
849.48553	94.2
850.48615	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	849.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.6
61.98827	3.7
63.68873	0.4
68.99564	1.6
69.03439	1.2
70.08280	1.0
70.08687	1.9
71.01011	1.0
71.01381	15.6
72.99315	1.2
73.02937	1.8
78.95894	1.4
83.01376	2.2
83.05010	1.2
85.02946	3.9
87.00859	3.1
88.98807	0.6
89.02442	11.2
95.01389	1.2
95.05046	1.1
97.02914	2.4
97.06595	4.7
99.00864	0.8
101.02444	9.7
109.02873	0.5
112.98550	2.0
112.99303	0.5
113.02444	4.3
116.92836	0.8
119.03480	1.7
120.18256	0.5
125.02425	2.0
143.03458	1.1
151.11279	10.9
161.04550	1.4
169.12338	38.4
170.12633	2.0
179.05534	0.9
195.10144	1.3
213.11328	5.2
221.06621	1.1
235.08176	1.4
241.01236	0.6
242.34097	0.5
242.51973	0.5
253.09196	0.6
255.23279	45.5
256.23599	5.4
291.19788	0.9
293.21252	1.8
294.21619	0.7
318.21698	0.9
319.22446	0.6
397.13510	3.6
414.38165	0.5
415.14944	0.7
540.78430	0.6
593.24304	1.2
611.25507	1.2
849.48499	100.0
850.48877	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	849.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.0
63.17868	0.8
69.86074	3.2
79.07854	0.8
81.03449	3.0
81.75703	0.9
83.01383	5.6
93.03442	4.6
95.01385	1.2
95.05013	3.3
97.02944	5.7
107.05012	2.1
108.02197	2.8
109.02950	20.6
117.03487	1.3
120.02196	1.8
121.02950	4.5
123.04519	14.8
124.01671	1.4
124.57711	0.8
125.02446	100.0
125.23788	0.8
126.02788	2.4
131.05017	1.2
133.02974	6.9
135.04515	2.5
137.02441	26.4
139.04016	4.9
145.02994	1.0
146.03741	1.5
147.04459	1.5
149.02431	5.2
150.03249	0.9
150.19933	0.8
151.03993	9.6
159.04509	3.2
160.00035	0.7
160.05229	1.0
161.02438	23.0
161.06088	4.3
162.03058	2.7
163.00369	8.0
163.04001	4.3
164.01149	51.5
165.01920	14.5
166.02438	0.8
167.03430	1.2
168.00691	1.2
170.99577	0.8
173.02454	2.0
174.03195	1.0
175.03998	10.1
175.07536	1.0
176.01172	2.6
177.01909	12.9
177.05536	1.9
178.02419	1.2
179.03490	4.1
185.06059	2.5
187.03986	6.5
188.04735	2.6
189.02032	1.3
189.05664	1.9
190.02727	1.3
191.03499	1.8
193.05203	1.0
199.03946	2.3
199.07648	1.1
201.01981	1.2
201.05565	1.4
202.06126	0.8
203.03485	1.2
203.07143	10.5
205.01289	3.8
205.05051	5.7
209.06093	1.1
213.02077	0.8
213.05476	1.6
214.02756	3.8
215.03488	2.0
217.01503	1.7
217.05045	3.3
219.02980	2.0
221.08290	2.1
225.05525	1.8
227.03465	1.7
227.07091	2.6
228.04184	1.3
229.05095	6.1
230.01924	0.9
231.03020	1.3
241.05107	1.0
241.29927	0.8
243.02925	8.0
243.06656	1.7
244.03493	0.9
245.04485	5.1
245.08151	9.5
246.08463	1.0
253.05135	1.0
255.02988	5.1
255.06610	0.9
256.03720	4.2
257.04361	3.9
261.04053	3.1
269.04562	2.8
271.06116	24.1
272.06522	1.9
273.04196	1.7
273.07651	4.8
281.04532	0.9
282.01727	1.3
283.06238	1.1
285.04059	3.2
287.05576	13.5
289.07178	58.0
290.07513	4.5
299.05435	1.0
300.02823	2.2
321.07587	1.3
329.06595	2.3
363.08612	2.3
378.36435	1.0
381.09781	1.2
389.06485	4.3
391.08246	1.2
407.07697	27.4
408.08218	4.4
413.08722	3.3
425.08658	2.8
433.09189	12.0
434.09851	1.0
435.10992	6.2
436.08157	1.1
452.07669	1.3
471.80853	1.0
517.11060	1.3
543.12854	2.6
559.12329	19.2
560.12909	3.4
561.13947	10.7
562.14636	1.8
652.19897	0.9
667.34436	1.0
679.14166	3.9
680.13934	1.0
697.15997	1.0
723.17261	2.2
849.20911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
60.99326	0.2
61.98830	100.0
62.98521	0.2
63.21957	0.2
65.74683	0.2
71.01378	0.2
71.50683	0.2
71.51100	0.3
72.99329	0.2
75.00879	0.2
78.95910	0.9
79.58997	0.2
88.98801	1.0
93.46495	0.2
96.96012	0.4
101.02457	0.2
113.16706	0.2
116.92873	0.3
125.02487	0.4
161.02489	0.2
163.04039	0.2
171.10300	0.3
209.11894	0.5
211.13428	0.3
241.01271	0.3
255.23282	0.2
256.23645	0.3
289.07098	0.2
293.21255	0.2
326.97220	0.2
396.06433	0.2
410.45850	0.2
718.66516	0.2
740.50104	0.2
848.50336	0.5
849.51947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.7
67.01913	0.4
69.03451	0.9
69.63644	2.7
78.54120	0.4
78.95921	0.5
81.03455	0.9
83.01381	4.7
85.65830	0.4
93.03467	2.1
95.01368	1.0
95.05027	1.2
96.31756	0.4
97.02951	3.2
107.05059	0.6
107.39433	0.4
108.02164	1.4
109.02950	11.4
117.03513	0.6
119.04953	0.6
120.02190	0.8
121.02952	2.8
122.03728	0.9
123.04523	8.0
124.04925	0.5
125.02445	100.0
126.02775	2.9
131.04991	0.5
133.02962	4.4
134.03748	1.0
135.04521	1.9
137.02446	15.3
139.03996	2.1
145.02994	1.0
146.03773	0.7
147.04547	1.0
148.87939	0.4
149.02461	3.1
150.03271	0.6
151.04005	7.2
157.06599	0.5
159.04558	2.8
161.02432	23.2
161.06017	2.1
162.03114	1.9
163.00385	2.3
163.04019	4.6
164.01160	12.6
165.01927	5.8
165.05472	0.6
167.03394	1.2
173.06146	0.7
174.03214	0.8
175.03978	8.2
175.07600	1.2
176.01189	0.6
177.01923	6.7
177.05577	1.1
179.03473	2.1
183.04507	0.7
185.06033	1.4
187.04031	3.7
188.04767	1.5
189.01947	1.9
189.05513	1.0
190.02617	0.6
191.03375	0.8
193.05037	1.5
199.04010	0.9
199.07664	0.7
201.01982	0.5
201.05551	2.2
202.06396	0.6
203.03529	1.9
203.07123	5.7
205.01433	1.5
205.05022	3.9
211.04089	0.9
213.05547	0.8
214.02785	0.7
215.03539	0.7
217.01465	1.0
217.05070	3.1
219.03004	1.7
219.06641	1.0
221.08199	1.0
225.05482	0.8
227.03494	1.2
227.07132	1.1
228.04190	1.0
229.05008	2.7
231.03012	0.8
241.05132	0.8
243.03024	3.2
243.06647	1.3
244.03647	0.5
245.04523	8.5
245.08171	6.5
246.05009	0.9
247.06123	0.6
253.05002	1.1
255.02971	4.5
256.03650	2.4
257.04593	1.3
261.03934	0.8
269.04581	2.1
271.06131	5.6
273.04172	2.0
281.04553	2.4
282.01651	0.5
283.02432	0.6
285.04053	1.5
287.05594	20.0
288.02939	0.5
288.05954	1.6
289.07172	26.8
290.07541	2.6
297.04062	1.0
299.05609	3.6
311.05408	0.9
315.08850	1.3
329.06625	0.9
331.08203	0.7
338.03973	0.4
339.08707	1.9
341.06668	2.0
357.09305	0.4
379.08340	0.6
381.09766	1.6
389.06482	0.6
397.09171	7.4
398.09756	0.6
407.07718	22.4
408.08127	2.3
423.07092	0.6
425.08749	12.9
426.09369	1.0
433.09238	2.8
451.10352	8.5
452.10788	0.8
467.09756	0.5
493.11707	0.5
517.11542	1.0
518.11127	0.4
527.10162	1.0
543.09570	0.4
545.11133	0.6
559.12451	9.0
560.13092	1.3
561.13812	0.8
571.12531	1.2
577.13458	11.6
578.14008	1.6
679.14630	0.9
697.15125	2.0
723.17499	1.2
750.83435	0.5
823.09314	0.5
849.21271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
60.09101	0.5
71.26115	1.1
76.12894	0.5
78.80010	0.5
78.95903	79.5
79.95741	1.3
80.30350	0.5
80.96520	4.3
94.98063	1.5
96.96960	18.4
113.09724	1.4
134.98529	1.2
148.99062	0.7
152.99585	18.3
155.10663	0.6
164.98633	0.7
179.14352	0.9
195.13895	6.8
205.12344	0.8
211.13483	0.8
223.00084	5.3
223.13446	3.4
224.13634	0.6
225.00729	0.9
241.01176	33.8
242.01607	0.7
255.23286	46.5
256.13177	0.6
256.23557	4.4
259.02203	2.2
275.20126	2.6
293.21219	21.7
294.21542	1.5
297.03708	2.2
315.04868	0.9
391.22656	3.2
406.89545	0.7
429.20535	0.9
458.74200	0.7
553.27826	4.1
591.25903	1.8
633.65350	0.6
847.49707	100.0
848.50085	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99304	0.2
61.98829	100.0
62.98528	0.2
63.99261	0.3
67.00137	0.1
70.51192	0.3
71.01386	0.4
71.22952	0.1
72.99322	0.2
75.00864	0.2
88.98808	1.7
89.02464	0.2
95.26326	0.1
96.96009	0.5
125.02465	0.2
125.46799	0.1
136.85802	0.1
171.10304	0.4
177.31090	0.1
199.95271	0.2
201.95189	0.1
209.11859	0.5
211.13379	0.3
242.61185	0.1
253.09258	0.3
289.18198	0.1
305.17581	0.2
413.54755	0.1
521.82477	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	847.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98827	4.1
63.96233	2.1
64.55643	0.5
67.01881	0.5
69.03460	0.9
69.83191	2.2
69.83600	0.9
71.01379	10.5
73.02951	1.8
78.24447	0.5
78.98592	6.9
79.95737	21.1
80.96517	100.0
81.03413	0.5
82.96110	1.4
85.02531	0.6
85.02937	3.3
87.00878	3.9
94.98087	21.9
94.98682	1.2
96.96004	1.7
97.02950	2.3
99.00883	0.6
101.02428	2.8
106.98104	3.7
113.02431	0.7
122.97577	4.8
125.02447	3.9
127.04024	1.3
134.97581	6.1
136.99124	2.0
148.99129	6.3
152.98633	6.8
164.98618	15.0
165.98952	0.6
167.00211	0.6
179.00183	0.6
183.20413	0.5
201.14699	0.6
206.99666	3.8
225.00731	22.0
226.01111	1.1
238.16006	0.6
255.23244	1.7
368.89444	0.5
478.92865	0.6
537.27563	1.2
591.24792	1.5
761.41632	13.3
762.42322	3.2
829.47125	0.8
847.48730	95.0
848.49072	27.6
848.65698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
60.73827	0.5
61.98827	10.8
63.96240	3.9
64.97039	0.6
68.86346	0.5
69.03452	1.0
71.01382	8.1
72.99301	0.5
73.02968	1.4
77.01521	0.5
78.95908	2.0
78.98585	7.7
79.95733	27.7
80.96515	89.4
81.03481	0.8
81.95298	0.6
82.96101	3.2
85.02938	3.5
86.63944	0.5
87.00868	2.7
94.98086	18.4
96.96013	2.3
96.97710	0.6
97.02950	2.1
98.13050	0.5
99.00925	0.6
101.02454	2.7
106.98089	3.7
122.97562	4.2
125.02412	3.8
127.04007	0.7
134.96611	0.8
134.97583	6.4
136.99107	1.0
148.99136	6.7
152.98616	7.1
152.99695	0.6
164.98625	12.1
165.98888	0.8
179.89172	0.8
188.98613	0.8
196.89508	1.4
206.99719	2.8
225.00735	21.1
226.01024	0.7
229.05949	0.5
255.23280	3.1
260.45502	0.5
279.22879	0.6
283.04855	0.9
291.19577	0.7
341.05331	0.6
362.76563	0.6
537.27136	1.3
591.24854	1.5
829.46863	0.6
847.48627	100.0
848.48993	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.0
60.99315	10.3
61.98830	100.0
71.01380	5.7
71.51088	1.9
72.99323	11.8
75.00867	2.5
78.95895	1.7
83.05015	1.6
87.00867	2.4
88.98806	47.6
89.02437	5.7
91.34155	1.3
97.02953	2.1
109.02216	1.6
112.05347	1.3
157.82655	1.4
163.11282	2.7
165.12825	2.4
171.10280	1.9
181.12149	1.5
185.11754	1.7
197.11772	4.2
201.94118	1.3
205.55621	1.5
209.11821	43.0
210.12193	2.3
211.13390	7.4
227.12822	6.8
235.08188	2.5
253.09375	6.4
256.79114	1.3
291.19626	9.9
293.21274	2.8
309.20703	19.4
310.20969	2.3
325.20337	2.3
847.45551	3.1
859.91254	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	846.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.99247	0.2
70.80140	0.4
71.01393	0.4
78.95893	1.1
78.98610	0.3
79.95740	0.9
80.96513	4.5
82.96120	0.2
85.02979	0.2
94.98089	0.9
96.96040	0.2
101.02490	0.2
116.92889	0.3
125.02573	0.2
134.97620	0.4
148.99185	0.3
152.98651	0.5
154.93472	0.1
164.98630	0.8
172.67336	0.1
179.89255	0.4
196.89536	0.4
197.89386	0.2
225.00708	0.9
231.72359	0.2
253.70515	0.2
255.23198	0.3
398.21671	0.2
516.21954	0.2
746.73962	0.2
846.47797	2.7
847.48645	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	846.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98541	0.2
63.96248	0.3
71.01389	1.0
73.02948	0.2
78.95922	0.2
78.98607	0.6
79.51646	0.1
79.95735	2.1
80.96517	9.0
81.03432	0.1
82.96109	0.2
83.20713	0.1
85.02966	0.4
87.00889	0.3
94.35190	0.1
94.98096	1.8
96.96032	0.2
101.02460	0.3
101.84811	0.1
106.98097	0.3
109.65113	0.1
116.92863	0.1
122.97646	0.4
125.02490	0.4
127.04013	0.2
131.82866	0.1
134.97595	0.4
136.99196	0.1
148.99142	0.7
152.98627	0.6
164.98640	1.4
179.89252	0.1
196.89525	0.2
206.99792	0.2
225.00737	2.0
225.02710	0.2
251.40273	0.1
606.41724	0.1
687.16449	0.1
846.47516	2.8
847.48749	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	846.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15260	0.1
61.98832	100.0
62.98549	0.1
63.96239	0.2
64.97028	0.1
69.77508	0.6
69.77917	0.2
71.01379	1.0
73.02953	0.3
78.95901	0.3
78.98602	0.8
79.95742	2.4
80.96519	10.7
82.96111	0.2
85.02983	0.4
87.00897	0.5
94.98090	2.1
96.96014	0.2
97.02949	0.2
101.02433	0.2
106.54356	0.1
106.98106	0.4
122.97592	0.7
125.02448	0.5
134.30981	0.1
134.97586	0.8
136.99173	0.3
148.99153	1.0
152.98633	0.8
164.98631	1.6
196.89549	0.2
198.64330	0.1
206.99727	0.4
211.29846	0.1
225.00725	2.4
255.23360	0.4
298.83298	0.1
327.98425	0.2
443.53885	0.1
591.24823	0.2
846.47614	3.2
847.48645	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	847.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
61.98825	4.3
65.00315	14.6
66.73119	1.4
67.98788	1.3
71.01385	2.4
71.05009	1.3
71.51623	2.7
78.95876	4.2
79.05503	1.4
81.02631	1.3
81.03457	5.8
83.01384	1.6
93.03463	1.9
94.48335	1.4
95.05031	1.2
96.03401	1.2
96.19238	1.4
96.92973	1.4
97.02946	2.3
105.03465	3.4
108.02187	1.6
109.02942	4.6
113.07196	1.7
114.05618	2.0
121.02961	4.2
121.77097	1.6
122.03686	1.4
123.04536	22.7
124.34341	1.7
125.02399	4.9
126.24947	1.6
133.02954	1.5
135.04504	4.0
135.08200	1.7
137.02423	2.7
137.06067	7.2
138.75417	1.3
146.03735	4.0
147.04503	4.7
149.02460	8.9
149.99521	2.7
150.03233	24.4
151.00394	6.7
151.04010	29.3
151.82695	1.4
157.06171	2.7
158.04594	4.8
161.02438	5.0
161.06084	5.3
162.03177	3.2
163.04030	9.4
164.01131	2.6
165.01791	1.8
171.74136	1.4
175.00432	2.1
175.04015	3.3
175.07591	1.7
177.01910	12.5
177.05568	2.8
178.02507	1.5
178.99825	2.5
179.07150	10.0
183.13898	15.1
185.06059	1.5
189.01891	3.6
190.02710	11.8
191.03423	3.2
201.01871	1.5
203.07127	10.1
205.01451	2.7
205.05054	2.5
209.11893	7.5
211.13469	1.9
217.05002	1.5
219.03012	3.1
219.06563	5.3
219.14014	1.3
220.07318	5.2
221.08148	18.5
222.01707	3.3
222.08366	1.5
231.06564	3.4
247.06119	49.5
247.08713	3.4
248.06818	11.3
249.07605	2.0
255.23042	1.8
259.05997	2.2
265.07016	1.6
275.05624	10.6
276.06378	10.8
277.06940	1.7
284.03226	3.2
289.07162	4.2
297.09836	2.6
301.16486	8.8
309.03937	5.8
324.06265	2.2
337.10529	1.8
371.11383	6.0
381.09796	80.2
382.10004	9.2
398.09991	6.4
399.10822	100.0
400.11063	10.8
483.08997	1.7
545.16638	68.9
546.17108	12.9
769.86133	1.5
847.49426	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	846.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.1
60.41716	0.1
60.99314	0.3
61.98829	100.0
62.98528	0.2
69.43478	0.1
71.01374	0.2
75.00865	0.2
75.28014	0.1
78.95920	0.3
86.13615	0.1
87.74348	0.1
88.98798	1.0
98.20691	0.3
102.05630	0.4
105.01926	0.3
116.92886	0.1
125.02482	0.2
128.03549	0.2
146.04593	0.8
168.53665	0.2
171.10316	0.2
200.73351	0.1
209.11836	0.2
211.13435	0.2
222.87849	0.1
225.11298	0.1
229.45450	0.1
247.05907	0.1
293.21194	0.3
294.21667	0.2
388.24869	0.1
405.84482	0.1
502.72040	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	846.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
60.99313	0.9
61.98830	100.0
62.98516	0.1
65.67514	0.1
68.13640	0.1
69.39381	0.1
71.01389	1.3
71.50715	0.2
71.58479	0.1
72.01759	0.2
72.99305	0.3
74.55759	0.1
75.00890	0.2
75.96304	0.1
83.01398	0.2
85.02966	0.2
87.00903	0.4
88.00414	0.4
88.98811	4.3
89.02443	0.9
95.01373	0.1
97.02993	0.1
99.00907	0.2
101.02457	0.7
105.01951	0.1
113.02484	0.3
116.92869	0.2
119.03497	0.2
125.02456	0.7
125.16732	0.1
127.11282	0.1
130.01369	0.1
171.10268	4.4
171.95262	0.1
172.10582	1.2
179.05647	0.1
195.13954	0.4
209.11909	0.2
211.13434	0.3
223.13470	0.4
224.13808	0.2
235.08214	0.2
275.20255	0.2
276.20517	0.2
293.21225	4.4
293.24387	0.3
294.21545	3.2
295.22733	0.1
397.13528	1.5
398.13718	0.9
415.14780	0.5
416.15109	0.3
428.16376	0.1
786.40179	0.2
863.91608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.5
59.74282	3.9
61.78807	4.0
61.98825	61.5
66.04135	4.7
68.99567	20.4
71.01378	8.8
71.51049	4.8
71.51481	5.0
83.05046	5.8
87.00889	11.2
88.00426	5.0
88.82450	4.4
89.02411	5.4
96.96024	6.2
98.15650	5.0
99.92640	5.8
101.02485	5.4
112.98558	21.1
113.02403	4.5
116.92857	53.7
121.02969	6.4
121.68602	5.0
123.93227	4.3
125.02441	8.7
146.33089	4.3
165.01865	8.2
171.10246	21.8
197.11745	5.3
201.11340	10.7
209.11844	100.0
210.12077	7.6
211.13416	10.1
227.12900	23.2
229.14478	6.7
235.08215	18.4
240.39268	4.8
245.02452	4.8
253.09247	38.4
291.19733	5.0
307.18857	5.8
309.20755	13.7
327.21729	71.5
328.22046	7.7
405.62970	4.9
445.20728	17.5
516.03748	4.9
532.66632	4.9
545.29846	13.7
563.31042	11.7
600.87085	4.8
755.41803	12.6
841.43567	31.1
842.43945	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	841.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11671	6.8
61.98833	64.7
69.58709	13.5
69.59117	28.4
78.95916	15.6
80.96559	7.6
84.94128	6.2
113.09702	17.0
113.52915	6.8
116.92783	7.4
117.92917	7.2
118.92685	7.7
121.02968	28.1
129.88901	7.4
130.39711	7.2
154.58517	7.3
196.89508	17.4
211.13368	29.9
214.87611	7.5
253.09232	22.5
255.23203	7.8
277.21704	56.4
291.19638	19.4
293.21161	100.0
294.21390	11.6
841.49719	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	841.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11671	6.8
61.98833	64.7
69.58709	13.5
69.59117	28.4
78.95916	15.6
80.96559	7.6
84.94128	6.2
113.09702	17.0
113.52915	6.8
116.92783	7.4
117.92917	7.2
118.92685	7.7
121.02968	28.1
129.88901	7.4
130.39711	7.2
154.58517	7.3
196.89508	17.4
211.13368	29.9
214.87611	7.5
253.09232	22.5
255.23203	7.8
277.21704	56.4
291.19638	19.4
293.21161	100.0
294.21390	11.6
841.49719	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	841.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.25581	10.7
65.59599	11.1
69.41872	73.6
71.72467	10.2
78.95881	13.5
93.15632	11.2
96.96912	12.2
98.19880	14.0
99.92595	12.5
101.40127	11.1
105.01929	22.3
116.92866	63.0
197.23315	10.5
220.83881	11.3
224.97620	12.8
232.96941	11.3
281.24863	19.5
293.21133	59.8
367.65524	11.4
659.34967	13.1
768.77228	13.0
841.49817	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	844.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.27855	0.7
71.01366	0.1
79.95727	0.2
80.96511	1.1
94.98112	0.2
98.20570	0.2
101.37879	0.1
104.53848	0.1
148.99110	0.2
164.98727	0.1
188.41269	0.1
225.00681	0.3
284.96689	0.1
295.51410	0.1
389.58966	0.1
845.47253	0.8
869.65857	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	845.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.2
60.99314	13.8
61.23879	1.6
61.98829	100.0
71.01377	18.5
71.50892	2.1
72.99297	5.3
75.00871	3.5
78.91871	2.0
78.95903	2.3
83.01386	2.8
85.02932	4.4
87.00892	12.1
88.00397	3.5
88.98804	81.4
89.02448	16.9
91.01621	1.4
97.02927	2.3
99.89983	1.6
101.02429	9.2
109.06637	1.4
112.16405	1.4
113.02417	3.7
122.60208	1.6
125.02441	4.2
135.21918	1.6
143.23695	1.5
156.58093	1.7
171.10251	9.7
179.05638	2.5
195.13802	1.7
209.11781	5.9
211.13272	2.9
213.14899	1.7
223.13231	1.6
225.11305	1.6
235.08234	2.4
237.15369	1.7
245.48709	1.7
253.09207	2.7
291.19794	1.8
293.21271	14.4
343.26401	2.3
369.24298	2.6
387.25311	5.1
397.13351	11.3
405.26477	14.8
406.26410	1.7
446.85068	1.9
785.39685	54.1
786.39972	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	841.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
60.99308	20.6
61.98827	5.6
71.01385	3.1
71.50183	0.5
73.02968	0.5
73.64859	0.4
83.01385	0.6
85.02933	0.7
86.06195	0.3
87.00871	2.3
88.00409	2.6
88.04031	0.4
88.98806	100.0
89.02445	18.9
89.02998	0.7
89.68552	0.3
89.99152	1.4
90.02746	0.7
97.06579	0.6
99.08115	0.9
101.02451	2.6
113.02445	1.3
113.09743	0.5
119.03510	0.8
127.11337	0.5
139.11298	2.1
150.96715	0.4
161.04549	1.3
171.10265	6.4
172.10617	0.4
179.05661	0.4
182.86020	0.4
183.13884	1.3
183.41591	0.4
193.12257	0.4
195.13895	2.9
209.11719	0.7
211.13397	8.0
212.13828	0.7
212.81653	0.4
223.13364	2.3
224.13757	0.4
229.14465	4.7
235.08229	3.9
253.09288	15.3
254.09633	0.9
256.13153	0.8
275.20166	2.3
293.21219	46.9
294.21552	5.6
295.22324	0.7
309.20636	0.9
311.22281	3.0
327.21686	1.9
328.22211	1.4
329.23297	31.8
330.23550	3.0
529.30249	1.2
547.30957	0.7
565.32587	2.1
605.44250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
65.00329	1.1
69.03475	1.1
69.17040	6.1
69.17373	0.7
81.03450	1.4
83.01376	4.7
83.05043	1.0
89.03943	0.7
92.66806	0.5
93.03458	1.7
95.01392	0.9
95.05019	0.9
97.02957	1.2
98.19770	0.6
107.05027	1.3
109.02969	8.3
111.00897	0.6
114.27249	0.5
117.03490	0.6
119.92027	0.6
121.02975	1.3
122.03736	0.7
123.04517	3.7
123.08162	0.6
124.01647	0.7
125.02448	100.0
126.02792	3.4
131.05000	1.5
133.02962	5.0
135.04504	2.7
137.02444	18.0
143.05022	0.9
145.02962	5.4
146.03734	1.1
147.04536	1.3
149.02451	3.4
150.03201	1.6
151.00360	2.2
151.04002	5.7
152.01164	0.6
158.03607	0.6
159.04556	4.8
160.05156	0.6
161.02449	23.4
161.03770	1.3
161.06010	4.1
162.03137	1.3
163.00398	2.4
163.03976	3.0
164.01186	3.9
165.01938	3.4
169.01459	0.9
173.02475	0.7
173.06004	1.2
174.03314	0.8
175.03990	9.9
176.01129	1.0
176.04462	0.7
177.01936	15.6
178.02330	1.1
179.03513	1.6
183.04532	1.4
185.06065	2.9
187.04016	5.7
188.04677	1.4
199.03979	4.3
201.01915	1.4
201.05579	2.7
203.03522	1.4
203.07112	3.4
205.05099	2.4
209.06081	1.1
211.04010	1.8
213.05556	1.0
215.03627	0.7
217.05014	4.1
217.06718	0.5
219.03073	3.1
225.05588	0.9
227.03465	2.9
227.07141	2.6
228.04160	0.6
229.04996	3.2
230.02142	0.8
237.05638	0.9
241.05014	1.1
243.02997	9.0
245.04474	4.1
245.08153	4.2
247.06276	0.7
253.04974	4.0
255.02937	5.3
256.03763	2.1
257.04626	0.8
267.03030	1.4
269.04572	1.6
271.06119	14.8
273.04111	3.2
281.04721	1.8
283.02396	0.8
285.04077	4.2
286.04489	0.7
287.05554	7.5
289.07147	16.7
290.07663	0.9
297.03970	0.6
299.05508	3.4
303.05008	0.8
321.07733	1.4
339.08966	0.8
363.08902	1.9
381.09769	1.1
389.06619	8.0
389.25473	1.0
391.27158	1.2
403.17883	1.0
407.07709	24.3
408.07983	3.0
425.08786	3.6
433.09250	6.0
434.09610	0.7
449.10782	1.1
450.11292	0.7
451.10431	4.1
509.21857	2.2
553.20654	5.6
554.20782	0.8
559.12384	6.0
560.12842	0.7
577.13501	6.5
578.13605	1.0
648.91675	0.7
671.21356	8.4
672.21582	1.3
689.22235	12.6
690.22211	3.4
715.24243	2.5
716.24091	0.8
803.61829	0.8
841.27435	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	841.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
67.05530	0.9
69.03461	1.3
69.29963	1.4
69.30379	3.3
69.78275	0.7
72.99310	11.7
73.02950	2.7
81.03449	6.8
83.01391	3.8
83.05026	4.3
85.02946	2.0
93.03460	6.2
95.01318	0.6
97.02972	8.3
98.03318	1.0
103.95437	0.5
108.02155	3.5
109.02955	17.5
111.04521	12.8
115.05887	0.6
117.03458	0.9
125.02434	4.8
125.06065	1.5
127.04065	4.7
128.21516	0.5
134.03734	10.8
137.02432	2.5
141.05565	3.8
149.06068	1.3
153.01900	1.2
155.03510	11.4
159.03024	1.0
161.02399	0.9
165.01941	2.5
166.02231	0.9
169.01546	0.9
169.05093	3.4
178.02722	0.6
183.85381	0.5
185.04546	23.0
187.06117	7.6
193.05060	17.5
199.02492	6.0
203.05615	5.4
206.65939	0.6
206.80858	0.5
231.05081	100.0
232.05400	5.1
245.04536	0.6
249.06166	1.0
271.06046	0.7
289.07123	1.7
289.11868	0.7
313.05484	0.8
339.35107	0.6
377.13574	0.7
407.09647	2.2
425.10712	1.9
426.11148	0.7
437.15921	1.2
577.14752	0.7
654.24554	0.6
866.44598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
60.99307	19.1
61.98830	28.8
71.01395	1.0
72.99326	0.5
82.31092	0.5
87.00871	1.4
88.00394	2.9
88.98807	100.0
89.02444	14.4
89.99172	1.2
91.25143	0.4
101.02420	0.6
116.92858	0.8
171.10251	2.1
185.11772	0.6
194.10007	0.5
195.13951	0.7
197.11855	1.6
211.13400	1.4
223.13390	1.0
253.09285	2.8
277.21710	1.2
278.22021	0.7
291.19711	1.6
292.20056	0.7
293.21149	2.9
294.21524	1.3
295.22751	3.0
309.20718	2.8
310.21109	1.4
311.22250	3.8
312.22488	2.4
313.22775	0.6
327.21783	2.2
328.22015	0.9
329.22986	0.6
388.33640	0.5
404.08948	0.5
499.87210	0.6
522.81055	0.5
558.38086	0.5
563.30176	0.6
714.75195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
62.31462	0.6
63.02392	1.0
65.00325	16.7
65.96312	0.6
69.20625	5.8
83.01379	8.1
85.06572	0.8
93.03454	0.8
102.12515	0.6
107.01389	22.8
107.90049	0.6
109.02953	1.5
111.00904	0.9
121.02922	0.9
123.04517	6.9
124.01646	1.9
125.02451	26.7
133.02957	2.9
135.04509	1.8
137.02492	1.5
147.04498	0.9
149.02448	2.6
150.03229	13.7
151.00366	100.0
151.03993	18.9
152.01170	15.0
152.04370	1.0
153.01891	2.4
161.02412	0.9
169.01390	2.0
174.03239	0.7
175.03958	4.4
176.01128	0.9
177.01932	5.5
178.99846	20.1
180.00313	0.6
181.01363	0.8
189.05478	2.0
193.05060	0.7
199.04030	3.6
201.01978	1.3
213.05574	1.2
215.03635	0.7
217.04997	3.0
241.05020	2.4
243.03036	0.8
257.04498	1.4
259.06073	1.6
275.05707	1.4
285.04041	55.9
286.04364	4.5
297.09824	2.5
302.04437	1.9
303.05078	32.1
304.05408	2.1
323.07727	2.5
349.62180	0.6
359.24295	1.6
371.24225	0.9
389.25436	50.0
390.25842	4.8
447.09186	0.7
449.10864	85.0
450.11221	10.1
451.12808	0.7
531.00079	0.6
575.68359	0.7
659.91876	0.7
679.55023	0.8
725.83759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.6
61.98831	100.0
62.98544	1.5
63.99255	4.4
71.01373	7.5
74.94976	1.2
78.95900	1.9
80.91669	3.0
82.95421	4.7
85.02943	1.7
88.98826	1.7
89.02457	3.8
96.95996	3.8
97.06600	1.5
98.20657	4.2
99.00892	2.1
99.68675	1.3
101.02467	2.7
109.06594	3.5
111.08102	1.5
111.10694	1.2
113.02494	2.0
121.02962	1.5
125.09737	1.5
129.13559	1.3
129.94545	1.3
137.09700	1.2
151.39874	1.1
163.11287	3.7
165.01875	1.5
167.32259	1.1
171.10277	6.4
181.12328	2.1
197.11827	4.5
199.13358	4.0
201.11234	1.7
207.10320	10.5
209.11830	16.8
211.13397	4.6
223.56227	1.2
225.11353	10.9
227.12854	5.4
228.13515	1.7
235.08195	3.5
243.12286	2.8
253.09264	12.9
289.18112	2.6
291.19724	6.0
293.21201	15.5
307.19019	2.3
309.20691	14.5
310.20737	1.7
327.21744	12.5
461.20197	2.9
564.34027	1.5
753.40948	3.1
754.40503	1.8
771.41809	6.0
772.42657	1.7
803.44684	1.8
839.40063	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	839.42
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.1
61.98829	100.0
71.01398	8.7
78.95918	3.1
88.98795	5.4
96.95973	4.3
98.20720	5.8
101.02438	3.1
116.92867	32.5
121.02927	4.7
125.02454	4.2
125.34484	3.4
129.36691	3.0
153.09123	3.8
165.01871	3.4
171.10239	11.8
209.11841	53.4
210.12154	6.0
211.13400	19.8
225.11310	4.5
227.12845	12.9
235.08296	4.4
253.09178	11.7
289.18033	6.2
307.19098	26.6
308.19498	4.0
325.20190	13.9
397.13599	7.2
444.37860	4.0
445.20947	4.0
543.27936	9.2
561.28760	3.8
735.39594	9.8
753.40448	20.6
771.42139	7.9
785.39545	5.2
804.72198	4.2
839.41846	26.8
840.40924	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	839.472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	31.5
62.16567	9.3
78.95909	26.4
96.95950	9.4
100.38797	9.6
130.13197	9.4
183.92497	8.7
183.98685	8.0
189.89984	9.2
196.89526	16.5
209.11719	9.9
227.13858	10.1
228.74506	9.3
253.09418	16.6
277.21771	79.5
278.22034	27.3
289.18137	100.0
290.18335	14.8
296.45279	11.0
302.25833	9.7
314.78726	8.4
327.21521	10.7
839.47076	37.0
840.46649	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	839.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	38.1
65.36720	2.7
68.81674	3.6
68.99567	6.5
69.43860	3.1
75.34668	3.4
78.95908	8.8
82.33034	2.9
84.23210	3.0
99.92601	16.9
112.98602	4.5
116.92865	100.0
116.93711	4.8
117.92864	7.3
131.29330	3.2
135.34029	2.9
193.90764	3.6
214.12106	2.9
227.45444	3.4
277.21817	4.5
289.18198	3.8
307.19077	4.9
839.48047	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	839.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
69.03466	0.8
70.81367	0.9
71.01383	4.6
72.99316	0.5
73.02962	0.7
74.19977	0.4
85.02945	5.7
87.00886	1.0
89.02460	3.4
95.05006	1.0
97.02979	1.3
97.06599	2.0
101.02444	5.0
113.02439	3.3
119.03502	1.3
119.08698	0.5
125.09742	1.0
127.11301	1.5
136.71532	0.4
137.09741	0.9
143.03571	1.0
153.48763	0.4
155.10744	1.1
161.04576	2.4
165.12781	0.5
171.08797	0.9
171.10271	16.5
172.10616	0.8
177.12794	0.9
179.05641	1.2
179.14281	0.6
183.13951	2.4
185.11765	0.6
193.12349	0.5
195.13916	6.2
196.14513	0.8
197.11823	0.8
201.11246	0.8
209.11768	0.7
211.13376	12.5
212.13699	0.8
221.11845	1.8
223.13356	4.0
224.67992	0.5
229.14442	9.5
230.14806	0.5
235.08250	5.9
239.12874	1.5
253.09273	36.6
254.09584	1.1
256.13083	0.8
265.21756	0.5
275.20145	4.7
291.19638	4.2
293.21225	100.0
294.21539	10.3
309.20700	8.4
310.21082	0.5
327.21750	81.4
328.22083	9.6
492.22256	0.7
529.30133	1.7
545.29431	1.5
563.30811	5.6
564.30994	1.3
571.54059	0.6
603.42535	4.5
604.43073	1.2
604.70062	0.6
623.20386	0.5
826.84888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25151	3.6
61.98823	15.3
65.15222	3.6
69.48718	23.6
71.01382	3.4
80.88054	3.7
99.92570	5.0
101.02446	3.5
116.92865	13.0
160.36386	4.2
171.10272	12.0
235.08212	43.5
253.09314	25.0
255.23274	100.0
256.23654	7.9
277.21692	4.8
291.19534	3.9
309.20621	12.8
327.21707	79.0
328.22311	7.7
335.54764	3.6
410.72668	3.6
491.32187	13.0
519.16962	3.8
545.29626	10.1
563.31372	4.2
710.95264	4.7
718.04523	3.8
801.53632	7.1
837.51300	29.1
838.51501	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	837.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
61.98830	7.6
68.99557	0.5
69.03437	1.5
71.01382	6.0
73.02933	1.3
75.58642	0.4
80.35538	0.4
81.58591	0.4
83.01385	1.0
83.05006	1.2
84.02154	2.3
85.02952	1.7
85.45825	0.6
87.00858	1.3
89.02438	2.2
95.01376	0.9
95.05082	0.5
96.96043	0.6
97.02958	1.2
97.06590	6.6
98.19836	0.8
98.93279	0.5
101.02430	5.4
111.81211	0.5
112.98542	0.5
113.02486	3.1
116.92875	2.4
117.92883	0.9
119.03468	1.7
120.13882	0.4
125.09695	1.1
133.05061	0.8
137.09741	0.6
143.03470	0.8
143.07173	0.7
145.05026	1.3
153.96968	0.5
160.18301	0.4
161.04588	2.4
167.14339	0.6
169.74809	0.4
171.10258	9.3
177.12769	0.4
179.05574	0.8
193.12354	8.3
193.14081	0.3
197.11827	0.6
197.15401	0.8
211.13405	2.4
221.11826	1.0
225.14977	13.6
226.15205	0.6
235.08218	11.6
236.08679	0.7
243.16014	5.6
253.09288	18.0
253.14468	0.7
254.09602	0.8
275.19968	0.5
277.21719	100.0
278.22073	9.3
291.19647	2.3
305.21155	1.0
309.20660	0.7
323.22321	2.4
341.23315	82.6
342.23657	8.4
513.30811	0.7
559.30975	0.7
577.32318	1.8
601.44855	4.3
635.82086	0.5
652.45349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.98823	0.6
66.29302	0.4
67.01874	0.4
67.64999	0.5
69.03464	0.9
69.63140	2.8
71.01371	1.6
71.05002	1.4
72.99297	0.5
77.03956	1.2
83.01380	1.4
85.02962	0.8
87.00885	0.5
89.02448	0.5
93.03448	1.5
95.01360	1.3
95.05016	4.1
97.02944	9.7
101.02420	1.0
107.01374	0.8
109.02930	1.0
111.00876	1.4
113.02440	1.8
115.03998	0.8
121.02946	6.8
122.24257	0.4
123.00878	4.1
125.02435	7.1
127.00379	0.5
137.02437	25.1
138.02850	0.8
139.00374	1.1
139.04004	21.5
140.01155	1.0
140.04384	0.9
149.02435	0.5
151.00362	2.9
153.05659	0.4
157.01788	0.4
161.02423	0.4
163.00359	5.5
164.01137	3.8
165.01920	100.0
166.02246	4.0
166.99710	0.6
168.00621	2.2
169.01401	9.8
175.03918	0.5
177.01764	0.5
182.02100	0.7
183.02982	20.8
184.03348	1.0
190.99791	0.7
191.03407	0.6
192.00708	1.1
195.06596	0.6
197.04602	1.7
209.00891	8.0
211.02469	0.9
243.02931	0.9
259.02411	1.2
271.02249	0.5
282.95151	0.4
287.01996	1.7
305.75522	0.5
313.01810	0.6
313.05621	35.8
314.05743	2.3
315.01477	4.0
330.03778	7.4
331.06985	2.7
345.05978	44.2
346.06384	4.0
363.07242	2.0
423.13437	0.5
479.08267	29.7
480.08273	2.8
497.09338	22.0
498.09988	2.7
659.13300	1.1
677.13544	1.6
839.18018	0.7
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
59.01380	11.4
66.83849	0.8
67.01902	0.9
69.03457	1.4
69.91132	3.5
71.01392	7.2
73.02943	1.1
83.01427	0.9
83.05022	1.2
85.02956	2.0
87.00874	1.7
88.00037	0.8
89.02458	4.5
89.26437	0.8
93.56976	0.9
95.05021	1.6
97.02934	3.1
97.06574	3.2
101.02438	5.7
111.08156	13.8
113.02441	3.0
119.03442	1.0
123.04519	1.1
124.23536	0.8
125.09703	3.1
137.09714	1.9
151.11220	0.9
153.12860	1.2
161.04507	2.9
163.11256	1.1
165.06937	0.8
165.12852	2.0
167.10751	2.7
169.12329	3.4
171.10239	3.7
177.12862	2.0
179.05539	1.0
179.10788	2.2
179.14490	1.2
181.12411	1.2
185.11797	2.2
191.14409	3.1
192.03270	0.9
195.13870	10.1
197.11833	32.9
198.12198	1.3
199.13388	1.8
201.11206	1.2
207.10321	0.8
209.11823	6.8
211.13377	3.7
223.13393	3.8
225.11226	1.1
227.12866	4.1
235.08191	3.4
237.11388	1.1
245.19168	5.0
247.20691	2.5
253.09308	19.8
254.09644	1.5
256.13168	2.1
263.20114	3.1
265.18066	1.4
265.21750	0.7
273.18558	3.4
275.20227	4.5
276.20572	1.2
279.55994	0.9
289.18057	17.6
289.21054	1.5
291.19656	100.0
292.20044	12.2
293.21228	38.5
294.21582	4.1
307.19141	11.6
308.19589	1.0
309.20700	40.2
310.20932	2.8
311.22064	1.0
527.28680	1.0
741.78638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.8
61.98812	0.9
68.99573	4.2
71.01374	5.3
78.76266	0.6
83.05034	1.4
85.02927	1.4
87.00871	2.1
89.02432	3.1
93.28122	0.7
95.05014	1.5
99.92578	0.7
101.02437	4.5
109.06614	1.0
111.07471	1.0
111.08162	11.1
112.08437	0.8
112.98569	2.6
113.02448	1.6
116.92850	2.7
119.03506	0.6
132.71082	0.6
137.09752	1.1
141.09250	0.8
161.04483	1.1
167.10751	2.2
171.10248	1.4
177.12823	3.2
179.10800	3.0
181.12411	0.8
183.13905	0.7
192.68527	0.6
193.12291	0.7
195.13904	8.7
197.11835	1.8
223.13354	1.9
235.08102	1.5
245.19008	1.3
247.20665	2.7
253.09222	8.6
258.30261	0.6
263.62448	0.7
273.18604	2.1
275.20160	3.3
277.21677	1.5
289.18057	5.7
291.19650	100.0
292.19949	10.8
293.21252	9.9
307.19153	5.2
308.19617	0.8
309.20599	1.4
386.03308	0.7
535.24377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
59.01644	0.4
61.03374	0.4
61.98841	1.3
69.03466	1.3
71.01382	3.5
72.75865	0.3
73.02971	0.9
80.02710	0.4
81.03475	0.4
83.01418	0.5
83.05058	0.8
85.02976	1.1
87.00893	0.9
87.67397	0.3
89.02431	2.4
95.01394	0.5
96.96041	0.4
97.02950	3.2
97.06618	0.6
98.19843	0.6
101.02428	3.8
107.05077	0.3
109.06609	0.8
111.08164	6.9
111.08893	0.5
112.08497	0.4
113.02453	2.3
113.09763	0.5
119.03539	1.0
123.08175	0.3
125.09761	1.3
127.07720	1.0
131.03456	0.3
137.09726	1.6
151.11281	0.9
153.09251	0.4
153.12898	0.7
161.04494	1.9
163.11308	1.1
165.12837	2.8
166.13222	0.4
167.10741	0.7
167.14410	0.5
169.12297	2.8
171.10246	2.7
177.12897	0.4
179.05632	1.0
179.14418	0.4
181.12328	1.9
183.13969	1.1
193.12363	0.8
193.15938	0.6
197.11823	34.5
198.12166	2.3
199.13341	2.1
209.11868	1.8
211.13376	7.0
212.13676	0.3
221.11792	0.5
223.13443	0.6
227.12920	2.7
229.08362	0.3
235.08192	2.5
247.20679	3.4
253.09274	20.9
254.09697	1.3
263.20163	2.6
265.18106	0.8
273.18542	1.7
276.92572	0.2
285.63065	0.4
291.19647	38.3
292.19995	4.2
293.21216	0.8
307.19186	0.4
309.20694	100.0
310.21057	10.9
311.83218	0.3
358.37930	0.3
433.20932	0.4
452.32635	0.4
527.28180	1.0
545.29688	3.6
546.29828	0.4
601.41248	2.4
837.50934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.5
61.98820	1.1
69.03441	2.1
70.24654	2.6
71.01376	8.2
73.02939	1.8
78.51280	0.6
83.01387	1.8
83.05027	2.1
85.02940	2.7
87.00850	1.9
87.68665	0.8
89.02423	5.9
92.63651	0.6
95.05054	1.3
95.31763	0.9
97.02970	4.7
97.06586	2.1
101.02448	6.7
108.47462	0.8
111.08160	11.1
112.08520	0.9
113.02468	4.0
119.03485	1.1
123.04517	1.1
125.09736	3.2
127.07656	0.9
137.09712	2.6
149.09718	1.1
151.11234	1.1
153.12860	1.3
161.04547	1.8
163.11278	2.1
165.12805	2.1
167.10728	2.7
169.12381	1.8
171.10269	5.9
177.12811	2.5
179.05612	1.1
179.10760	1.6
179.14383	1.1
181.12357	1.4
183.13838	0.8
185.11807	2.8
191.14426	2.5
193.12300	1.5
195.13890	9.7
196.14316	1.1
197.11848	19.1
198.12189	1.3
201.11307	11.0
209.11826	4.9
211.13368	6.2
223.13322	3.3
227.12885	2.1
235.08247	3.7
237.11356	0.9
241.20567	0.9
245.19093	2.9
247.20703	2.7
253.09277	18.6
254.09622	1.0
255.23335	3.1
263.20114	2.1
273.18588	3.2
275.20166	2.1
289.18082	15.1
290.18463	1.0
291.19659	100.0
292.20001	11.2
293.21234	30.3
294.21619	2.4
307.19089	11.4
308.19516	1.6
309.20691	48.1
310.21078	4.4
397.13358	2.6
862.53455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
61.98828	2.2
69.03451	2.0
71.01379	4.8
71.05030	0.6
72.99312	0.6
73.02969	1.1
80.02666	0.4
81.03484	0.7
83.01411	0.6
83.05034	1.1
85.02978	1.3
87.00892	1.3
89.02440	3.6
93.07114	0.3
95.01385	0.6
95.05036	0.5
97.02946	5.8
97.06618	1.0
98.03300	0.4
98.20000	2.0
98.20708	0.9
101.02449	3.9
109.06586	0.8
111.08154	6.9
111.08899	0.5
112.91593	0.3
113.02454	2.2
115.51178	0.3
115.99026	0.3
119.03516	1.3
119.08721	0.5
119.61111	0.3
121.06582	0.4
121.10237	0.3
123.08176	0.6
125.06064	0.4
125.09743	1.7
127.07656	0.6
131.43855	0.3
137.09737	1.4
143.03500	0.6
145.05051	0.3
150.10368	0.3
151.11276	0.6
153.09200	0.5
153.12869	1.2
161.04550	2.2
163.11285	1.4
165.12843	4.6
167.10779	0.6
169.12335	3.7
171.10269	3.7
175.11345	0.3
177.12915	0.4
179.05545	0.6
179.10805	0.5
179.14436	0.8
181.12349	2.3
183.13884	1.4
185.11829	0.8
191.14284	0.4
193.12337	1.1
193.15898	0.6
195.13902	0.6
197.11816	37.5
198.12135	2.2
199.13356	2.5
203.46555	0.3
209.11865	1.7
211.13382	7.2
212.13748	0.7
223.13371	1.2
225.11357	0.5
227.12865	3.7
229.71144	0.3
235.08194	2.9
235.13411	0.5
247.20676	3.2
253.09264	20.2
254.09601	1.1
255.20575	0.3
260.88147	0.3
263.20087	2.0
265.18228	0.6
273.18594	2.3
289.18073	0.8
291.19653	45.7
292.20001	4.4
293.21222	3.2
294.21561	0.4
309.20691	100.0
310.21033	10.1
325.20132	1.6
403.79083	0.3
433.20898	0.7
527.28394	0.8
545.29645	2.1
601.40906	2.1
662.30182	0.3
770.92975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.18273	0.1
61.98825	100.0
62.98542	0.2
63.51429	0.1
68.99569	0.3
70.89507	0.3
71.01398	0.4
78.95886	0.1
79.33179	0.1
89.02404	0.2
96.96017	0.4
101.02460	0.2
109.02953	0.1
112.98594	0.3
116.92886	0.2
125.02442	0.3
128.03539	0.2
162.03270	0.1
171.10239	0.1
207.10226	0.1
209.11833	0.8
210.12212	0.3
227.12952	0.2
281.72928	0.1
363.06158	0.1
419.11737	0.1
836.40448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.19838	0.2
67.20409	0.2
78.95935	0.5
88.52411	0.2
90.03262	0.2
181.64259	0.2
196.89552	0.2
202.73294	0.2
215.84947	0.2
277.21829	0.3
278.22339	0.2
427.38586	0.2
705.71991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.6
61.56437	1.1
61.98590	1.1
61.98836	13.9
69.03443	2.3
71.01373	14.0
73.02945	3.2
75.28449	1.1
81.03407	1.3
83.01382	2.6
83.05032	1.6
85.02947	3.9
87.00860	3.7
89.02460	8.4
95.05027	1.9
96.96018	2.3
97.02957	2.7
97.06575	4.7
98.19839	2.4
101.02435	12.1
111.08145	7.9
113.02459	6.2
113.09702	2.1
119.03474	2.2
121.10198	1.8
123.08147	2.4
125.09718	8.7
127.07556	1.9
127.11281	1.2
135.08142	1.8
137.09700	3.4
139.11205	1.4
141.09207	2.4
143.03537	2.1
151.07631	1.8
151.11295	1.4
153.09177	4.5
155.10799	8.6
161.04520	3.9
163.11253	3.4
165.09138	2.0
165.12816	2.9
167.10742	1.8
167.14409	1.7
171.10265	16.4
172.10648	1.2
177.12753	2.5
181.12367	4.1
183.10300	6.1
183.13976	2.5
185.11880	6.2
193.12263	1.9
195.13933	8.9
197.11755	10.2
198.12141	2.9
201.11305	14.5
209.11819	10.7
210.12103	1.9
211.13388	45.0
212.13770	2.7
213.11287	2.7
221.15431	2.6
223.13364	4.0
227.12872	17.9
228.13391	1.4
229.14215	1.4
235.08145	7.9
245.19038	4.4
247.20619	5.3
253.09265	31.8
254.09633	3.4
255.09787	1.6
255.16138	1.5
255.23267	1.3
263.20078	1.9
265.21768	1.7
273.18466	4.5
275.20096	5.5
277.21704	2.4
281.21222	2.3
289.18066	20.8
290.18475	8.1
291.19644	89.0
292.20016	11.4
293.21225	65.9
293.23929	0.9
294.21609	7.3
307.19141	24.4
308.19385	8.6
309.20691	100.0
310.20978	16.1
311.21823	7.7
325.20187	23.9
419.18848	3.0
420.19528	1.2
447.68628	1.3
527.28680	2.6
543.28149	4.4
544.28979	1.8
545.29462	14.3
546.29651	2.9
561.28674	2.0
819.49451	2.6
837.50085	10.2
838.50714	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	836.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	4.6
59.01368	1.2
60.65089	0.6
65.00326	5.3
70.02987	0.7
70.63530	1.5
70.63872	0.5
71.01368	0.8
72.00888	0.7
74.02474	16.2
82.02983	0.9
83.01366	1.7
86.02476	3.3
86.06101	0.7
86.99097	0.9
87.05630	3.9
90.00208	0.7
97.04095	1.5
99.05640	9.8
100.00387	0.6
101.07191	1.0
102.05589	3.6
104.02682	0.8
107.01392	3.3
108.02178	1.2
109.02969	1.0
109.04093	1.2
111.05656	0.9
112.04034	1.2
113.03572	1.8
116.01721	1.2
117.07121	1.0
121.02914	0.8
121.06620	2.9
123.04519	6.9
123.05469	0.9
123.05655	0.8
124.01633	1.3
125.02428	4.4
125.03421	1.4
127.05128	2.5
128.03545	26.7
132.08455	0.6
133.02968	1.3
135.04517	2.4
135.05653	3.3
137.02449	1.4
139.05063	1.0
141.06683	2.2
143.04619	31.4
144.05043	1.2
145.06555	3.8
146.04605	6.7
149.02419	3.1
150.03232	9.7
151.00374	11.2
151.04008	16.9
152.01158	6.8
152.04355	0.8
153.06686	2.9
158.03717	1.1
160.00732	10.4
161.02440	1.7
161.09712	1.1
163.07634	5.4
166.09824	1.4
167.04640	2.2
167.08208	1.2
170.03374	0.7
171.04382	0.7
175.03990	3.1
176.01129	1.3
177.01910	3.2
177.03136	3.2
178.99867	7.7
179.03444	0.6
179.04645	6.1
180.04945	0.6
181.06194	1.0
185.05669	1.5
187.07629	6.4
189.05528	1.0
197.05823	0.8
198.03450	0.6
199.03998	1.2
201.01819	1.1
203.03424	1.4
203.07144	1.3
204.07776	1.5
205.08678	7.3
206.08868	0.6
210.08842	7.2
211.09244	0.7
217.05055	0.7
231.04315	1.5
231.06601	28.0
232.07271	4.8
233.08099	1.0
242.07741	0.8
254.07794	8.2
259.06201	3.0
260.06766	2.4
264.17017	0.9
269.04590	4.3
270.04703	0.7
272.08881	10.5
285.03967	4.2
287.05615	0.8
288.06631	5.5
289.06931	1.3
297.09732	1.9
303.05075	2.0
306.07642	100.0
307.07932	6.5
308.16098	5.2
310.04739	1.1
313.97473	0.7
323.07690	1.7
333.11954	0.7
342.14929	18.3
343.15091	1.9
365.10281	25.2
366.10541	3.3
383.11346	17.7
384.11649	1.9
386.13864	15.9
387.14264	1.0
433.11469	9.1
434.11862	2.0
449.10916	6.2
450.11124	0.8
529.17133	44.1
530.17511	7.2
836.25269	1.7
837.26941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	29.0
68.99562	16.5
73.23180	3.5
78.95905	5.9
79.22100	4.0
87.73116	3.5
88.98815	7.8
89.02415	4.4
98.20657	11.7
101.02435	4.4
110.28498	4.3
112.98525	11.0
122.47894	3.8
128.15723	3.8
153.09164	6.4
171.10255	4.2
209.11833	12.1
229.08568	4.4
235.08240	15.0
253.09271	12.4
255.23280	100.0
256.23520	5.8
289.18106	10.3
307.19089	40.1
308.19366	4.5
323.92889	4.1
325.20160	15.3
525.26709	7.8
543.28229	8.5
712.44525	6.8
727.56598	5.1
781.50647	36.9
782.51392	10.3
799.52148	13.2
835.49426	30.8
836.50415	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	835.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
61.98833	10.2
68.99560	1.3
69.03467	1.1
71.01385	7.0
73.02921	1.1
75.00813	0.7
78.95931	0.7
83.01406	0.8
85.02942	1.7
87.00880	1.3
88.98820	1.0
89.02457	4.4
91.03992	0.8
97.02974	0.7
97.06567	0.8
98.19872	1.5
99.92606	2.7
101.02429	5.8
109.06611	1.1
111.08160	1.7
113.02468	3.4
115.92091	0.8
116.92865	10.0
119.03522	1.3
125.09675	1.1
143.03568	0.7
151.11328	0.9
161.04539	3.0
163.11292	1.1
165.12875	1.2
167.10812	1.0
171.10223	1.2
179.05635	1.1
181.12331	3.3
193.12346	0.7
195.13905	8.1
197.11815	12.6
198.12131	0.7
199.13310	1.9
205.12233	0.7
209.11946	0.8
211.13399	0.8
213.14967	2.7
221.11827	1.1
223.13387	6.4
225.15015	1.0
235.08289	4.0
239.12804	1.3
241.14439	1.3
249.22169	0.7
253.09285	26.0
254.09698	1.7
255.23276	2.5
256.13300	1.2
273.18546	2.3
275.20181	8.5
276.20560	1.4
277.21677	1.4
291.19684	15.1
292.20099	2.0
293.21225	97.6
294.21573	9.7
305.21149	2.3
307.22583	1.6
308.19720	1.3
309.20596	1.1
323.22256	100.0
324.22601	10.7
344.88055	0.8
397.13242	1.6
466.07938	0.7
599.43134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.8
59.01099	1.1
59.01379	11.4
61.98830	57.8
62.98529	0.8
65.44242	0.6
69.03448	1.7
71.01377	12.0
71.05022	0.7
72.99322	1.2
73.02940	3.3
75.00880	0.6
78.91900	0.8
78.95903	0.8
79.47691	0.6
80.02673	0.8
80.96502	0.9
81.03457	0.9
83.01386	2.0
83.05023	2.0
84.02186	0.7
85.02963	4.3
87.00901	1.5
87.04510	1.2
89.02451	6.9
93.03449	0.6
95.01387	1.8
95.05035	1.7
96.95989	1.6
97.02964	2.7
97.06586	4.1
99.00863	1.0
99.04516	0.9
101.02431	8.4
102.98341	0.7
106.04241	0.9
109.06586	2.0
110.06918	0.8
111.00887	1.1
111.08161	4.2
113.02447	5.4
116.92841	2.9
119.03539	1.1
119.08617	1.0
121.02982	0.7
121.06553	0.9
122.03679	0.7
123.04539	1.5
123.08159	4.1
125.02446	2.1
125.06074	1.4
125.09725	15.9
133.06654	0.8
135.08168	5.8
137.09729	4.6
139.07642	5.1
139.11275	2.1
141.09224	2.0
141.12869	0.8
143.03574	0.8
149.09792	1.2
151.07617	1.0
151.11288	1.3
153.09227	8.8
155.10786	21.3
156.11096	1.1
161.04575	3.1
161.05797	0.7
161.09662	0.8
163.11292	2.0
165.09250	3.9
167.10779	1.7
169.12402	1.2
171.10297	7.4
177.09210	0.9
179.05626	0.9
179.10770	0.9
179.14403	1.1
181.08717	2.0
181.12312	2.6
183.10257	15.8
185.11836	5.2
187.09743	1.7
189.12770	0.9
191.10776	1.3
195.10234	1.4
195.13904	10.4
196.14565	0.9
197.11865	1.7
199.09773	12.2
201.11327	7.3
205.12215	0.8
207.10303	2.9
207.19907	0.7
209.11871	4.0
211.13383	1.3
213.09230	1.4
213.11310	29.4
214.11635	1.3
215.12883	0.9
223.13406	7.5
224.13972	0.8
225.11250	3.9
235.08252	2.7
237.11365	0.9
243.17496	3.7
245.19040	1.4
253.09274	24.4
255.23250	1.8
256.13065	1.4
261.18564	2.2
269.15424	1.1
275.20142	7.3
277.21506	1.1
279.19656	5.1
287.16553	9.2
289.18030	7.0
291.19653	9.5
292.20044	1.2
293.21213	100.0
294.21558	9.7
305.17560	25.4
306.17902	1.6
307.19244	4.7
307.22363	1.1
309.20679	1.7
323.18613	26.6
323.22061	1.3
324.18716	3.4
324.41443	0.7
342.96066	0.7
397.13580	1.2
419.19174	13.4
420.19720	1.1
428.90240	0.7
435.18826	1.4
449.20322	2.2
523.25500	1.7
541.26587	4.8
542.26703	1.0
559.27557	3.4
599.38977	1.2
695.39954	2.0
817.47308	1.2
818.45361	1.0
835.46759	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	835.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.5
59.01095	2.4
59.01376	21.3
61.98835	14.4
64.63582	1.2
69.03453	3.6
71.01380	17.7
71.49893	2.0
72.99304	1.3
73.02939	5.0
74.52165	1.3
75.24057	1.2
78.91887	2.2
80.96499	1.4
81.03487	1.6
83.01386	2.7
83.05015	3.3
85.02958	5.1
87.00863	4.1
89.02434	11.4
94.36675	1.3
95.01385	1.4
95.05037	2.2
96.96008	4.7
97.02921	4.2
97.06587	5.9
99.00910	1.5
101.02440	11.8
109.06586	2.7
109.82932	1.4
111.00964	1.7
111.04534	1.5
111.08154	5.7
111.23048	1.6
113.02435	7.2
113.09748	1.8
116.92855	3.0
119.03505	3.1
120.36790	1.3
123.08163	5.9
125.02447	3.1
125.09715	13.1
135.08145	4.7
136.27968	1.3
137.06007	1.4
137.09723	4.9
139.07671	2.8
139.11276	1.9
141.09218	1.7
143.03557	1.3
151.11295	4.1
153.09134	7.4
155.10777	16.7
159.44946	1.4
161.04568	6.0
161.09680	2.0
163.11288	2.6
165.09200	3.6
165.12833	1.7
167.10825	3.0
171.10229	12.3
177.12737	2.0
179.05653	1.6
179.14459	2.3
181.08699	2.3
181.12294	2.0
183.10245	8.5
185.11829	5.0
189.12776	1.8
191.14380	2.4
195.10236	2.7
195.13899	10.9
197.11763	4.6
199.09744	25.7
201.11316	5.3
201.31148	1.2
205.12334	2.0
207.10251	4.1
209.11845	6.9
213.11320	26.6
214.11684	1.7
220.55342	1.3
223.13371	7.1
225.11307	4.7
227.12955	2.0
235.08284	6.2
235.13316	1.7
243.17513	3.5
245.19130	4.0
253.09244	29.8
254.09401	1.7
255.23351	14.1
256.13193	1.8
261.18539	2.5
263.20358	2.3
275.20169	6.0
277.21613	2.6
279.19653	5.2
287.16406	9.8
289.18057	21.6
290.18494	2.1
291.19650	30.9
291.23022	1.7
292.19998	3.9
293.21231	100.0
294.21561	10.0
305.17612	28.9
305.20764	1.2
306.17926	4.0
307.19183	19.1
307.22543	3.0
308.19263	3.1
309.20737	20.5
309.24152	2.4
310.20941	2.2
323.18640	20.9
323.22205	2.3
324.18799	3.2
397.13498	11.1
415.14099	1.7
419.19107	9.2
435.18909	2.5
449.20270	1.9
525.26575	1.6
541.26611	4.9
543.28033	3.8
559.27393	4.1
817.47797	2.8
835.48248	9.6
836.47601	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.7
59.01378	6.9
59.14572	0.4
61.98829	11.0
69.03430	0.8
70.44745	0.4
71.01379	3.7
71.05022	1.9
73.02941	1.4
80.02671	0.6
81.03433	0.8
82.95408	1.0
83.01383	0.4
83.05002	0.9
85.02956	1.0
85.95925	0.3
87.00873	1.2
89.02451	3.3
94.98060	0.5
95.05019	0.9
97.02933	0.7
97.06618	0.4
98.19833	0.6
101.02435	4.7
105.80083	0.5
106.04231	0.9
109.06590	6.3
111.04531	1.6
111.08152	6.9
113.02464	2.1
119.03477	0.8
121.06513	0.5
121.10134	0.4
123.08169	1.3
125.09682	0.6
127.07664	2.0
135.08159	0.8
137.09747	0.9
143.10747	0.7
145.06602	1.8
149.09679	0.8
151.11264	1.4
154.61095	0.4
161.04541	1.4
163.11241	0.7
167.10735	1.6
168.91475	0.4
169.12332	3.5
170.51364	0.4
171.10260	2.5
177.12787	0.9
179.05637	0.7
179.10779	0.9
181.12340	1.6
183.13913	0.5
185.11652	0.4
191.14508	0.5
193.12303	0.7
195.13927	2.3
197.11821	31.8
198.12178	1.6
199.13350	1.8
209.11890	0.9
211.13376	5.3
211.88931	0.4
223.13416	0.8
227.12737	0.7
235.08258	4.2
235.13318	0.6
245.19041	3.9
247.20753	0.5
249.14934	0.7
251.16411	0.6
253.09282	17.4
254.09485	1.2
261.18408	0.5
263.20038	2.4
265.18195	0.5
271.16995	1.5
273.18515	0.8
287.16534	2.5
287.85367	0.4
289.18082	100.0
290.18451	9.7
291.19656	12.2
292.20056	1.1
293.21252	3.6
305.17590	0.9
307.19125	5.9
308.19604	0.9
309.20697	48.5
310.21011	5.0
383.18588	0.5
525.27094	3.1
527.28021	0.5
543.27148	0.5
545.29309	0.7
553.19415	0.5
581.38416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.1
61.98830	39.7
65.24181	0.4
65.77401	0.4
69.03428	1.0
71.01391	4.1
71.05022	1.6
71.26704	1.0
72.99278	0.4
73.02936	1.3
81.03456	1.2
82.95410	1.1
83.01371	0.8
83.05023	1.1
85.02946	1.0
87.00850	0.9
89.02452	2.8
91.04000	0.4
93.03465	0.5
93.79714	0.4
94.24927	0.4
95.01353	0.4
95.05009	1.0
97.02939	1.9
97.06565	0.8
97.47140	0.4
98.03732	0.5
98.20409	0.5
101.02446	4.0
106.04243	1.0
109.06583	7.0
110.06989	0.4
111.04550	2.0
111.08167	5.1
113.02476	2.2
119.03513	0.8
121.06620	0.5
123.08151	1.7
125.09705	0.4
127.07627	1.2
135.08101	1.0
137.09717	0.5
143.10757	1.5
145.05067	0.6
145.06552	1.4
149.09682	0.7
151.11343	0.6
161.04523	2.2
163.11281	0.8
165.12790	1.3
167.10733	1.3
169.12360	2.4
171.10216	2.4
172.10490	0.5
179.05609	0.8
179.10757	1.0
181.12317	1.2
183.13899	0.7
191.14415	0.5
193.12378	0.6
195.13910	2.6
197.11823	22.2
198.12158	1.5
199.13365	1.1
209.11766	0.8
211.13370	3.2
223.13382	0.5
227.12830	1.0
235.08228	3.0
235.13379	1.1
239.12843	0.5
240.29303	0.4
245.19118	3.5
247.20699	1.0
253.06654	0.9
253.09280	15.1
253.11873	0.9
254.09727	0.9
263.20163	1.2
271.17050	1.2
273.15060	0.6
273.18668	0.9
287.16583	3.0
289.18082	100.0
290.18451	9.5
291.19638	15.6
292.19943	1.8
293.21179	1.8
307.19128	4.7
309.20706	39.7
310.21063	4.0
324.04535	0.5
525.26965	2.9
526.26990	0.6
545.30133	0.6
581.39197	0.5
613.82147	0.4
652.44061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.3
59.01376	22.0
61.27784	1.0
61.98830	30.8
68.99805	1.2
69.03453	3.8
71.01383	17.8
71.05022	4.3
72.99317	1.4
73.02950	4.7
73.67815	1.4
78.95921	1.8
81.03444	2.8
82.95412	2.4
83.01381	3.7
83.05037	4.8
85.02957	10.1
87.00876	4.6
89.02440	9.4
93.03436	1.8
95.01399	2.5
95.05025	6.9
96.96021	10.0
96.97000	1.3
97.02932	3.6
97.06591	3.7
98.20766	2.2
98.95597	4.4
99.00880	3.7
99.92580	2.1
101.02449	15.7
106.04248	4.5
107.05013	3.6
109.02946	1.3
109.06575	8.5
111.04502	2.7
111.08164	8.1
113.02473	8.0
115.92079	2.9
116.92874	2.5
119.03516	3.2
119.05023	1.2
121.06607	1.8
123.04510	1.9
123.08128	1.5
125.02440	2.0
125.06082	1.4
125.09700	5.3
131.03354	1.0
133.04959	1.1
135.08139	3.1
136.05402	1.1
137.09702	1.9
145.05128	1.4
145.06598	1.2
147.08195	1.2
149.06023	1.2
149.09695	1.3
151.11206	1.9
161.04555	6.9
163.11272	4.8
163.14998	1.2
165.12839	4.1
167.10793	2.3
169.12340	3.1
171.10258	7.0
175.11311	1.6
177.12852	7.2
179.05577	2.0
179.10864	1.8
181.12332	4.0
185.11862	2.5
189.64156	1.2
191.14436	9.8
193.12357	1.2
195.13898	30.4
196.14209	2.6
197.11829	30.4
198.12267	1.4
199.13390	2.2
203.10780	5.8
203.14383	5.2
205.12241	1.6
207.10219	2.5
207.13824	3.1
209.11823	17.7
209.15376	1.8
211.13403	7.5
217.12296	1.6
221.11920	5.8
221.15440	3.9
223.13400	8.5
225.11279	2.1
227.12865	1.9
229.12379	4.5
235.08240	8.5
235.13391	14.2
235.16982	2.7
237.11310	2.5
237.14896	7.6
243.17592	3.9
245.19098	7.9
247.13385	31.7
247.20660	2.3
248.13803	2.2
253.09290	34.6
253.14523	2.1
254.09717	2.1
255.23224	1.3
256.12744	1.3
261.18555	11.4
263.20178	3.6
265.14404	17.4
266.14697	1.7
275.20160	12.9
276.20331	1.8
279.19778	7.3
287.16595	9.0
289.18100	43.4
290.18451	4.5
291.19669	26.1
292.19885	2.0
293.21219	100.0
294.21512	9.3
305.17560	49.0
306.17923	5.1
307.15576	2.2
307.19131	43.0
308.19385	4.0
309.20691	53.1
310.21152	4.0
323.18604	4.5
445.20560	1.4
457.20795	2.4
465.20847	1.4
471.22263	9.2
483.22150	5.3
501.23331	6.0
523.25653	1.4
527.27979	1.3
541.26532	7.2
542.26782	1.1
543.28290	2.3
608.94336	1.1
625.90186	1.3
733.41534	1.3
747.43402	2.3
759.43311	2.5
777.44171	9.1
778.44122	3.6
817.47290	7.6
818.47351	1.7
835.48016	4.1
836.48242	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	835.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
61.98829	77.7
62.98539	0.8
63.99250	0.6
65.03954	0.8
68.99799	0.5
69.03460	1.6
71.01382	5.6
71.05021	1.9
72.99310	0.4
73.02941	1.2
78.95895	1.3
80.02665	0.9
81.03456	1.4
82.95429	1.4
83.01405	0.8
83.05030	1.6
85.02971	1.6
87.00877	1.4
88.46711	0.5
88.69966	0.7
89.02444	3.6
93.03451	1.6
95.05023	1.1
96.96010	10.8
96.96985	1.0
97.02959	3.1
97.06598	1.7
98.03783	0.6
100.13996	0.4
101.02431	6.7
101.25597	0.4
106.04226	0.6
109.06586	7.0
111.04515	2.9
111.08157	4.0
113.02454	2.5
117.07137	1.3
119.03535	1.1
119.08664	2.7
121.06623	1.6
123.08150	1.0
123.21877	0.4
125.02409	0.5
125.08910	0.4
125.09682	2.7
127.07638	1.6
129.67181	0.4
133.06560	0.5
135.08168	5.5
137.06052	0.5
137.09723	2.0
139.16040	0.5
143.03511	0.7
143.10782	0.6
145.06583	1.5
149.09738	0.9
149.89470	0.6
151.11212	1.2
153.12822	0.7
161.04576	1.9
163.11246	1.7
165.09319	0.4
165.12857	2.4
167.10799	0.9
169.12320	1.8
171.10258	15.6
172.10619	1.1
175.11235	0.6
179.05653	1.1
179.10791	1.2
179.14348	0.5
181.12361	1.7
183.13889	0.9
185.11809	2.5
191.10680	0.4
191.14372	0.9
193.12315	1.1
195.13890	2.1
197.11826	21.3
198.12178	1.0
199.13506	0.6
207.10152	0.6
209.11858	3.3
211.13394	5.4
221.11708	0.6
223.13341	0.8
227.12935	2.3
233.15433	1.7
235.08185	3.8
235.13405	1.4
245.19031	3.9
247.20665	2.1
253.09277	20.3
254.09396	0.9
263.20248	1.3
265.18164	0.5
269.85089	0.5
271.17041	1.9
273.18387	1.1
279.19638	0.8
287.16446	1.2
289.18079	100.0
290.18411	10.1
291.19647	26.9
292.19904	2.5
293.21207	1.0
307.19174	11.9
308.19617	0.9
309.20697	68.2
310.21069	7.2
397.13251	0.5
505.56168	0.5
525.26886	4.3
526.27539	0.7
543.28229	0.8
545.29803	1.4
571.14520	0.6
581.38849	0.7
629.05115	0.6
672.70709	0.6
817.47241	2.8
818.47705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.5
59.01379	8.4
60.70053	0.2
61.98536	0.3
61.98833	5.2
67.97624	0.2
69.03452	0.8
70.47661	0.8
71.01380	8.9
71.04996	0.3
72.99304	0.6
73.02953	1.7
78.95874	0.3
79.74536	0.3
80.02688	1.3
80.91672	0.3
81.03469	2.2
83.01390	1.0
83.05027	5.5
84.02147	1.2
84.05350	0.3
85.02966	2.1
87.00407	0.3
87.00885	2.3
88.98774	0.4
89.02445	7.5
89.54742	0.3
90.02796	0.2
91.03991	0.2
93.03458	0.3
95.01388	0.6
95.05019	0.9
96.96011	2.3
97.02949	2.0
99.00872	0.5
101.02448	6.2
102.05619	2.6
109.02944	0.4
109.06586	0.5
113.02452	3.7
115.04053	0.3
116.92796	0.3
119.03508	2.3
123.04530	0.4
125.02443	4.0
125.06068	0.6
125.09762	0.5
128.03545	2.1
131.03517	0.2
133.05028	0.3
135.08141	0.8
137.02411	0.3
139.03970	0.2
141.01909	0.2
143.03471	1.2
145.06227	1.5
146.04597	6.8
149.04617	0.3
151.03934	0.3
161.04596	1.6
163.11281	4.3
164.11627	0.3
165.12833	3.2
167.03470	0.3
171.10268	1.2
179.05634	2.3
181.12343	0.7
183.13756	0.3
191.10797	1.3
199.13351	1.3
201.11292	0.3
209.11818	100.0
210.12163	6.1
211.13403	0.7
217.07303	0.4
221.06660	1.0
225.11267	0.6
227.12877	16.4
228.13168	1.1
229.14476	0.3
235.08215	2.8
236.08441	0.3
247.13351	0.6
251.12988	0.4
253.09160	0.6
259.08118	0.2
263.07748	0.4
265.14487	0.5
287.07739	0.9
288.77274	0.2
289.07144	0.4
305.08728	0.8
320.76807	0.3
323.09756	0.4
379.12360	2.8
380.12891	0.4
397.13501	18.8
398.13727	1.6
413.17661	0.2
415.09030	0.3
415.14566	5.3
416.15076	0.3
419.24405	0.3
419.75928	0.3
477.16019	0.3
589.24451	0.3
607.26135	0.7
629.15179	0.3
799.37805	0.9
835.39337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	1.2
59.01108	1.3
59.01379	18.3
61.98827	23.7
62.74889	0.8
69.03441	4.3
71.01382	19.7
71.05038	1.7
73.02940	3.1
78.95883	1.8
80.02683	1.4
81.03461	3.1
83.01370	4.0
83.05023	3.5
85.02957	6.2
87.00869	4.5
89.02446	10.7
93.03445	1.3
95.01371	1.4
95.05015	4.2
97.02958	5.9
97.06590	6.0
101.02444	12.4
106.04242	1.7
106.58832	1.1
107.05022	2.8
107.13940	0.9
109.06599	5.4
111.00851	1.2
111.07464	1.5
111.08168	16.4
113.02447	7.6
113.03112	1.0
113.03522	1.0
119.03484	3.0
119.08654	0.9
121.06578	1.9
123.04520	4.1
123.08163	1.8
123.54372	0.9
125.02420	1.8
125.09726	8.2
127.07570	1.4
131.04601	2.4
135.08142	2.4
137.09677	5.6
141.09221	1.1
143.03456	1.2
145.05043	2.0
148.08859	1.2
149.09756	1.4
151.07635	1.6
151.11285	2.6
153.09210	1.6
153.12921	1.8
155.10695	1.3
161.04483	6.3
161.09685	1.1
163.11287	9.2
165.09138	1.1
165.12894	5.2
167.10689	2.2
169.12381	6.5
171.10269	5.6
175.11214	1.2
177.12817	3.0
179.05519	1.4
179.10849	2.1
181.12357	3.6
183.13882	2.5
185.11887	7.7
189.12901	1.6
191.10796	1.5
191.14395	12.6
191.24255	1.0
193.12286	2.9
195.13939	9.9
197.11824	86.2
198.12218	4.8
199.09741	3.4
199.13429	5.2
203.10728	2.0
203.14418	2.4
207.10246	5.4
208.14479	1.1
209.11806	27.3
209.15251	1.6
211.13382	17.1
221.11804	2.4
223.13423	4.7
225.11266	3.5
227.12872	4.5
228.13513	1.3
229.34277	1.1
235.08238	8.9
235.13310	3.9
237.11342	6.2
237.14912	3.2
243.17479	1.6
245.19077	18.2
247.13359	9.2
247.16994	1.1
247.20528	1.5
249.14983	1.6
253.09282	42.8
254.09663	2.3
255.23256	2.6
261.18561	2.7
263.20148	11.5
265.14490	4.9
265.18030	2.6
271.17047	3.0
273.18503	1.6
275.20081	3.0
279.19635	1.5
287.16592	5.4
289.18094	95.8
290.18475	10.4
291.19669	46.3
291.23016	1.8
292.19922	4.4
293.21225	35.4
294.21497	4.8
305.17578	15.3
306.17712	1.7
307.19150	83.8
308.19492	8.3
309.20715	100.0
310.20932	9.1
325.20197	1.4
397.13409	2.3
433.88483	1.1
445.20547	2.1
471.22131	1.3
483.22205	1.9
501.23471	1.3
525.26941	2.7
541.26440	1.9
543.28101	3.2
545.29736	1.7
777.43634	3.1
817.46887	2.2
835.47382	4.1
836.48236	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	835.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
60.01705	0.6
63.02389	1.5
65.00322	19.2
66.78365	0.6
70.02999	0.8
71.01361	1.0
71.52106	1.4
78.74018	0.7
81.03448	0.8
83.01385	8.6
93.03499	0.8
93.83784	0.6
95.01394	0.8
106.59319	0.7
107.01389	22.8
108.02164	2.8
109.02943	2.7
111.00873	1.2
114.01968	4.9
115.84907	0.6
119.05064	0.7
121.02934	0.9
123.00842	0.9
123.04532	7.5
124.01661	3.1
125.02447	29.5
126.02810	1.3
133.02946	3.0
135.04526	2.0
137.02435	10.0
139.00343	0.8
147.04422	1.3
149.02419	3.5
150.03220	13.8
151.00363	100.0
151.03979	17.5
152.01151	17.7
153.01857	2.9
161.02443	0.7
164.01271	0.7
165.01924	4.8
167.03491	1.2
168.00540	0.8
169.01407	1.9
173.06013	1.2
174.03174	1.4
175.03992	5.4
175.07712	1.3
176.01151	0.9
177.01945	4.6
178.99858	18.4
179.03455	1.1
180.00237	1.0
181.01443	0.9
187.04008	0.8
188.04805	0.8
189.05553	1.7
191.99858	0.7
199.04047	3.4
201.02005	1.0
203.07126	1.3
215.03481	1.0
217.05013	2.5
229.08604	1.4
232.06158	2.3
233.06618	0.9
237.07616	4.1
241.05060	2.6
247.09801	1.5
257.04593	1.4
259.06015	1.4
275.05667	2.1
285.04028	52.5
286.04373	6.2
297.09848	2.1
299.12625	1.0
302.04428	2.4
303.05081	30.7
304.05466	3.0
323.07666	2.2
367.11865	4.8
368.12247	1.2
385.12781	11.4
386.13077	1.1
449.10855	59.7
450.11081	7.1
835.27942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
61.42925	1.0
65.00327	16.9
68.99798	0.8
69.93787	3.9
83.01392	9.8
95.01419	0.9
98.20012	1.1
101.85069	0.8
104.59417	1.0
107.01393	25.1
109.02982	2.6
111.00900	1.0
116.99673	0.9
121.02949	1.2
123.00868	1.0
123.04543	7.8
124.01669	4.4
125.02446	34.0
133.02925	3.1
135.04536	2.6
137.02444	15.2
139.04007	1.1
146.04576	2.2
149.02399	3.9
149.24884	1.0
150.03217	14.1
151.00372	100.0
151.03989	17.3
152.01183	15.2
153.01868	1.8
155.54129	0.9
161.02534	1.3
164.01089	2.1
165.01944	6.4
167.03467	1.7
169.01373	2.2
173.06061	1.3
174.03163	1.2
175.04010	5.2
175.07657	1.1
177.01926	6.0
178.99860	17.4
179.03464	2.2
184.14735	1.0
185.06073	1.0
187.03975	1.0
189.05573	1.2
199.04039	3.3
201.01917	0.9
203.07053	1.1
205.08739	1.3
215.03484	1.2
217.05060	2.6
223.04402	1.4
229.08730	1.3
241.05025	2.9
247.09752	1.5
257.04486	1.1
258.32654	1.0
259.06161	1.4
275.05692	1.4
285.04047	55.9
286.04459	4.5
297.09857	3.6
299.12775	1.1
302.04178	3.6
303.05081	33.8
304.05365	3.0
323.07697	1.7
323.12949	1.7
367.11838	7.6
384.88104	1.0
385.12912	14.1
386.13263	1.8
449.10895	71.1
450.11221	10.6
626.13037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98520	0.2
71.01406	0.1
75.80214	0.1
78.95945	0.1
81.75412	0.1
100.44859	0.1
107.61333	0.1
171.10297	0.2
193.73666	0.1
199.58347	0.1
282.16037	0.1
289.18057	0.6
290.18506	0.1
293.21143	0.1
309.20691	0.2
322.29770	0.1
346.21378	0.1
536.74396	0.1
543.34674	0.1
628.95917	0.1
746.24426	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	834.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98831	100.0
62.98544	0.2
70.97604	0.1
70.97931	0.1
71.01402	0.3
78.33628	0.1
78.95909	0.2
80.96534	0.1
83.43503	0.1
89.02457	0.1
96.96040	0.1
97.02984	0.1
97.06602	0.2
101.02473	0.1
107.46333	0.1
147.14366	0.1
152.99535	0.1
185.11865	0.1
197.11824	0.2
204.29718	0.1
209.11891	0.1
211.13454	0.4
237.66969	0.1
253.09386	0.2
287.16846	0.1
289.18076	1.2
291.19653	0.7
293.21243	0.2
307.19162	0.5
309.20721	1.2
327.67590	0.1
398.95642	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	834.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98525	0.2
71.01356	0.1
76.84190	0.1
78.77917	0.1
78.91896	0.1
78.95929	0.2
81.76994	0.1
98.19830	0.2
101.02451	0.1
112.06450	0.1
133.06667	0.1
140.53752	0.1
207.10329	0.1
209.11864	0.2
293.21228	0.1
309.20621	0.1
309.45450	0.1
754.17194	0.1
865.39117	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	834.448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98829	100.0
62.43480	0.1
62.98542	0.2
62.99240	0.1
63.99253	0.1
68.61954	0.1
69.03444	0.1
71.01389	0.7
71.05029	0.3
72.82767	0.1
78.95921	0.3
79.95764	0.1
83.01415	0.1
83.05016	0.2
85.02940	0.3
87.00881	0.2
89.02460	0.5
95.01408	0.2
95.05026	0.4
96.95999	0.6
97.02938	0.2
97.06617	0.3
98.20272	0.8
101.02435	0.6
103.23820	0.1
109.06601	0.2
111.08157	0.4
113.02464	0.4
121.06702	0.2
123.04494	0.1
125.02454	0.2
125.09763	0.4
133.06708	0.1
135.08241	0.1
151.11267	0.2
153.12863	0.2
155.10689	0.1
161.04578	0.2
163.11324	0.3
165.09206	0.2
165.12865	0.2
169.12378	0.2
171.10274	0.8
181.12399	0.3
182.91405	0.1
183.13945	0.1
185.11922	0.3
188.78825	0.1
191.14378	0.2
195.13965	0.3
197.11807	1.7
198.12314	0.2
201.11357	0.1
203.14311	0.2
205.12349	0.2
207.10254	0.1
209.11829	1.0
211.13383	1.1
223.13486	0.4
227.12961	0.3
229.03175	0.2
235.08243	0.4
243.17517	0.2
245.19162	0.4
247.13390	0.1
247.20749	0.1
249.14915	0.2
253.09299	2.0
263.20132	0.2
273.18631	0.2
275.20200	0.3
279.16409	0.1
279.19553	0.1
287.16556	0.8
288.16830	0.3
289.18130	2.7
291.19669	2.5
293.21210	2.6
294.21588	0.1
305.17572	1.2
306.17978	0.5
307.19180	3.4
307.22534	0.2
309.20709	3.6
310.21106	0.4
323.18597	1.0
527.30005	0.2
543.28308	0.4
736.47388	0.1
773.65027	0.2
835.49396	0.4
837.67517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98830	100.0
62.98547	0.3
63.99261	0.3
69.39432	0.3
69.39852	0.4
71.01372	0.7
71.29501	0.1
78.91874	0.2
78.95921	0.5
80.96503	0.1
89.02469	0.3
94.01724	0.1
96.96016	0.2
96.96926	0.1
97.03009	0.1
98.20623	0.2
101.02454	0.3
109.06555	0.1
116.92895	0.2
119.05040	0.3
121.03016	0.1
156.36559	0.1
159.10179	0.2
163.04036	0.1
163.11253	0.2
171.10300	0.3
197.11841	0.1
201.11371	0.2
207.10262	0.3
209.11829	0.6
211.13454	0.4
223.13507	0.1
225.11327	0.3
227.12958	0.3
241.01312	0.2
255.23413	0.2
279.23474	0.2
289.18222	0.3
290.68478	0.1
293.21329	0.1
294.21576	0.1
309.20807	0.2
327.21808	0.3
397.13586	0.4
415.14212	0.1
553.58966	0.1
623.25775	0.2
817.39557	0.1
834.52606	0.3
835.39069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.6
61.98828	5.5
62.14049	0.4
70.35352	0.5
71.01385	5.7
73.02953	0.9
78.95909	0.5
83.01382	0.5
85.02950	1.8
87.00881	1.5
88.98808	0.6
89.02444	5.5
97.02969	0.5
97.06634	0.5
101.02442	5.7
103.01503	0.4
104.34937	0.4
109.96436	0.4
111.08179	0.6
113.02443	3.3
113.09742	0.5
114.93481	0.5
116.92864	0.9
119.03500	1.7
125.02464	0.8
127.84678	0.4
143.03510	0.5
146.11276	0.4
161.04526	2.7
167.10719	0.4
169.12386	0.9
179.05579	1.2
195.13922	7.0
197.11826	7.0
197.19389	0.4
205.12344	0.5
207.17538	0.5
211.13333	0.6
217.90828	0.4
223.13477	4.2
223.17009	8.1
224.17590	1.0
233.15410	0.9
235.08231	1.7
251.16515	6.5
253.09283	32.1
254.09705	1.4
255.23282	5.5
256.13135	0.8
256.16919	1.1
264.44046	0.5
275.20108	3.6
284.16171	0.8
291.19809	0.6
292.20190	0.5
293.21231	79.6
294.21594	8.2
303.23318	6.8
304.23727	0.7
320.23111	0.7
321.24329	100.0
322.24667	11.8
322.28442	0.6
379.12436	0.7
397.13324	2.9
557.32587	0.6
597.45044	2.3
598.44995	0.7
713.35602	0.5
720.44708	0.6
833.51563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.8
61.98831	100.0
63.99250	1.3
71.01385	8.8
71.05011	5.4
71.50127	0.9
72.99319	2.0
73.02962	2.0
78.95895	1.8
80.91682	1.9
81.03458	1.9
82.95432	1.8
83.01379	2.2
83.05051	1.4
85.02956	2.4
87.00880	2.0
88.98801	1.4
89.02458	4.7
93.03468	1.2
95.01342	0.8
95.05043	6.4
97.02963	2.8
97.06600	2.9
101.02446	8.2
109.02949	1.2
109.06590	10.2
111.04528	1.9
111.08151	4.1
112.87335	0.8
113.02480	3.7
119.03521	1.3
119.08676	0.7
121.06606	2.6
122.03759	1.1
123.04523	1.4
123.08179	2.6
125.02414	0.8
125.09717	4.1
127.07688	1.0
135.08139	1.7
137.06099	0.9
137.09734	2.3
143.10716	1.0
145.06506	0.8
147.08144	1.1
149.06099	0.9
149.09694	0.9
151.11340	1.1
159.08163	1.0
161.04573	4.0
161.09785	1.3
163.11270	3.6
165.09218	3.3
165.12932	1.8
167.10777	1.6
169.12360	2.8
169.14476	0.8
171.10225	2.6
177.12827	1.0
179.10770	1.0
181.12343	1.1
185.11833	4.2
188.66553	0.8
189.12781	4.1
191.10643	1.0
191.14418	3.7
195.13893	3.1
197.11819	18.5
198.12219	0.8
199.13393	1.2
205.15945	2.4
207.10294	2.2
209.11832	6.3
211.13304	6.7
213.12762	0.8
217.15933	1.0
223.13409	1.2
225.11400	1.0
227.12842	1.1
231.13857	2.0
233.11732	1.9
235.08206	3.4
235.13394	1.3
237.11310	1.0
237.14896	1.2
243.17474	4.7
245.19121	8.6
247.20753	1.0
249.14932	3.9
253.09280	20.2
254.09572	0.8
255.23373	1.0
261.18579	2.0
263.20093	1.8
269.15494	1.4
271.17004	2.2
279.23413	0.9
287.16495	31.9
288.16995	3.9
289.18091	86.8
290.18484	9.9
291.19650	18.1
292.19843	1.4
293.21347	0.9
305.17572	58.4
306.17877	6.4
307.19153	28.0
308.19458	3.1
309.20697	30.7
310.20963	2.9
523.25348	1.6
525.26929	1.3
541.26666	2.1
597.37872	1.1
815.45801	2.6
833.49652	4.4
834.48114	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	833.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
61.98831	29.7
63.49659	0.3
67.80379	0.3
69.03454	1.0
70.64358	0.9
71.01384	4.7
71.05038	1.8
73.02940	0.5
75.00865	0.8
78.95908	0.4
80.02668	0.6
81.03452	1.4
82.95412	1.1
83.01374	1.5
83.05008	1.3
83.49406	0.4
85.02945	1.2
87.00856	1.1
89.02464	2.2
93.03452	0.4
95.05020	1.6
97.02402	0.4
97.02953	1.3
97.06587	2.6
98.03749	0.6
101.02448	3.9
107.05036	0.6
109.06598	6.2
111.04510	2.2
111.08136	0.9
113.02459	2.1
118.07163	0.3
119.03506	1.1
119.08672	0.5
121.06587	0.8
123.04488	1.5
123.08145	1.2
125.02494	0.5
125.06059	0.5
125.09721	3.4
127.07619	0.9
135.08174	1.0
135.11806	0.4
137.06096	0.4
137.09740	1.8
141.12828	0.5
143.10765	0.8
145.06563	1.2
149.06105	0.8
149.09743	0.6
151.11227	0.7
161.04562	1.6
161.09648	0.4
163.11285	3.6
165.09239	0.6
165.12868	1.1
167.10754	1.6
171.10272	0.7
173.59131	0.4
175.11226	0.5
177.12859	0.9
179.10748	1.0
181.12292	0.8
185.11832	3.7
191.14471	3.3
193.12404	0.6
195.13921	2.4
197.11823	0.4
207.10284	1.1
209.11832	8.2
210.12125	0.6
211.13438	0.5
217.16048	0.6
225.11255	0.9
227.18103	0.5
235.08231	2.6
235.13489	0.4
237.11328	1.4
237.15001	1.1
243.77026	0.3
245.19080	9.0
246.19383	0.5
247.16933	0.4
251.16502	0.5
253.09311	9.8
254.09467	0.6
261.18649	0.6
263.20160	1.8
271.17136	1.9
273.14914	0.4
287.16479	2.6
289.18088	100.0
290.18472	9.6
291.19659	1.5
293.21259	1.4
305.17609	1.9
307.19156	28.4
308.19473	2.8
309.20670	1.3
321.20801	0.5
331.19260	0.4
481.29443	0.7
499.30435	1.1
517.31860	0.8
525.26886	1.5
579.36670	0.5
597.38312	1.2
602.89966	0.4
717.39087	0.8
735.40314	0.7
736.40271	0.5
815.46002	1.0
833.47833	1.9
834.47382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23325	0.1
61.98831	100.0
62.98526	0.1
66.43716	0.1
81.41704	0.1
90.88485	0.1
94.77200	0.1
101.40166	0.1
153.72948	0.1
155.53816	0.1
201.67810	0.1
261.75134	0.1
293.21130	0.1
537.88690	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	832.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98541	0.3
69.76520	1.1
71.01379	0.4
72.48597	0.2
78.95909	1.6
78.96336	0.2
79.95728	1.2
80.96516	2.9
93.15692	0.2
94.98106	0.5
96.96970	0.3
98.20595	0.3
118.24213	0.2
121.63436	0.2
122.97559	0.2
148.99181	0.3
151.23457	0.2
152.99651	0.3
164.98610	0.3
215.99446	0.2
225.00751	0.8
241.01357	0.3
255.23300	1.0
279.02670	0.2
279.23300	0.7
430.35889	0.2
832.49792	2.8
833.51300	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	831.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.0
61.98830	100.0
62.52235	0.5
65.70699	0.6
65.74849	0.5
67.28133	0.5
69.03455	1.2
69.12791	6.0
71.01380	2.5
72.99310	0.8
75.00866	1.9
76.79066	0.6
78.91901	1.5
78.95906	2.2
83.84064	0.6
85.02953	0.7
87.00874	1.1
88.98828	1.5
89.02464	2.3
93.02729	0.6
94.52613	0.7
97.02960	2.6
101.02470	2.4
111.08130	2.1
113.02456	1.7
119.03481	0.8
119.08647	0.6
120.35780	0.6
125.09695	1.3
134.85307	0.6
152.99576	1.1
154.54193	0.5
161.04579	1.0
163.11348	0.8
165.12839	2.3
169.12416	0.7
171.10289	2.1
183.13878	6.2
193.12331	1.8
197.11827	6.0
199.13380	0.7
209.11780	2.1
211.13387	87.2
212.13680	6.5
227.12764	1.9
235.08176	3.1
247.20624	1.9
253.09300	9.6
254.09576	0.7
255.23114	0.9
273.18628	0.9
291.19650	17.9
292.20087	1.7
309.20715	36.7
310.21152	4.7
447.22354	5.8
466.64471	0.6
503.33920	0.9
527.28656	1.2
545.29462	3.3
739.41650	1.0
805.51154	0.7
831.49231	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	832.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56556	0.2
59.01387	0.5
61.98830	100.0
62.98537	0.2
63.99250	0.4
71.01408	0.2
75.00856	0.2
77.04345	0.1
78.95890	0.7
80.91727	0.2
81.03476	0.1
82.95381	0.2
88.04046	0.2
88.98822	0.3
89.02442	0.3
95.05045	0.3
96.96961	0.2
97.06576	0.2
109.06602	0.3
111.08217	0.2
113.71639	0.1
125.09691	0.3
127.37932	0.1
132.03012	1.1
135.41156	0.2
152.99615	0.2
165.97038	0.2
171.10292	0.4
185.11984	0.2
185.46457	0.2
194.62976	0.1
197.11855	0.4
209.11896	0.4
209.13889	0.2
211.13448	0.5
223.13470	0.3
235.08211	0.2
241.01199	0.3
245.19261	0.2
251.16299	0.1
253.09358	0.7
261.11032	0.2
287.16592	0.6
289.18109	3.0
291.19595	0.5
305.17664	0.8
307.19189	1.4
309.20831	0.7
545.74780	0.2
700.77136	0.1
722.75067	0.1
746.33008	0.2
818.51630	0.2
824.59222	0.2
832.50256	0.2
833.49792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
60.12220	0.1
61.98829	100.0
62.41097	0.1
62.98543	0.3
65.93118	0.2
67.29198	0.2
70.50800	0.5
71.01390	0.3
75.00877	0.3
78.95918	0.6
86.61276	0.1
88.98792	1.2
89.02447	0.3
98.20380	0.3
99.83057	0.2
118.96951	0.2
131.04610	0.2
171.10289	0.3
198.31770	0.2
207.10332	0.2
209.11853	0.7
211.13350	0.8
223.13261	0.2
229.65703	0.2
232.17596	0.2
241.01100	0.2
255.23337	0.3
277.21658	0.2
289.18082	0.3
293.21335	0.6
305.17752	0.2
573.46588	0.2
831.48639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
60.96521	0.2
60.99305	0.2
61.98829	100.0
62.86981	0.2
62.98520	0.3
70.88379	0.4
72.99333	0.4
75.00865	1.2
75.89754	0.2
78.95905	1.8
80.55947	0.2
88.98837	0.4
89.71597	0.2
96.96001	0.4
96.96958	0.2
97.73384	0.2
101.02450	0.2
125.02531	0.2
152.99544	0.3
157.08723	0.2
196.54742	0.2
209.11902	0.3
211.13448	0.7
223.13411	0.2
225.11406	0.4
241.01205	0.5
253.09320	0.4
255.23311	1.0
277.21829	0.6
285.37866	0.2
291.19775	0.2
308.51617	0.2
325.20462	0.3
464.73114	0.2
831.50787	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	830.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
59.87802	0.1
61.98831	100.0
63.31835	0.1
78.95918	0.3
96.89919	0.1
98.20731	0.2
98.76859	0.1
108.27980	0.1
136.56831	0.1
147.70973	0.1
211.48160	0.1
241.01161	0.1
255.23410	0.3
277.21674	0.1
410.72641	0.1
477.12149	0.1
661.49371	0.1
831.50439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92045	0.1
61.98828	100.0
62.98526	0.2
63.96225	0.2
71.01386	0.5
78.95935	0.1
78.98597	0.5
79.95734	2.9
79.96199	0.2
80.96512	6.6
85.02977	0.2
87.00896	0.3
89.59756	0.1
94.98088	1.5
96.96055	0.1
97.02969	0.2
101.02486	0.2
106.98096	0.2
113.06141	0.1
122.97610	0.3
125.02486	0.3
127.04038	0.1
134.97612	0.4
136.99083	0.1
148.99117	0.5
152.98647	0.5
161.04642	0.1
164.98599	0.9
206.99593	0.1
225.00728	1.6
241.00169	0.1
255.23257	0.1
283.05005	0.2
315.49063	0.1
389.30377	0.1
411.13605	0.1
537.27295	0.2
596.41687	0.1
653.58057	0.1
830.48419	0.3
831.49329	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	828.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
65.68150	0.8
66.51676	0.8
68.05388	0.8
69.41231	5.0
69.41628	1.7
71.01380	6.8
82.00333	0.8
83.01404	1.6
84.66643	0.7
87.89716	0.8
88.04041	82.2
88.14151	0.8
89.04368	1.0
91.05553	2.7
102.28793	0.9
109.02934	3.9
109.52261	1.0
114.01984	6.5
115.00373	15.7
117.03482	0.8
121.02914	0.9
123.04502	3.8
125.02451	28.9
132.03027	100.0
133.03355	2.5
135.04526	3.7
137.02443	6.2
139.04054	1.6
149.02412	1.1
151.04007	3.7
161.02423	8.0
161.06041	1.7
163.00357	0.9
163.03955	0.9
164.01112	1.3
165.01929	1.6
175.03999	2.5
177.01915	1.8
179.03462	1.3
187.04025	1.2
203.07079	1.7
205.05086	1.8
206.08298	1.6
218.92517	0.8
245.04472	1.9
245.08154	4.9
250.07188	70.2
250.92746	1.0
251.07574	5.2
255.03018	1.7
257.04489	1.0
273.04150	2.1
281.04727	1.5
287.05539	4.5
289.07150	21.0
290.07431	2.0
299.05484	1.2
339.08679	1.4
407.07690	22.4
408.07895	2.0
425.03180	2.0
425.08765	27.0
426.08920	3.0
451.10309	8.4
452.10718	1.1
559.11719	1.0
577.13440	15.2
578.13440	4.8
610.12598	1.2
697.43298	0.9
848.33899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
60.12427	0.7
62.57125	0.7
65.32558	0.6
69.50701	4.4
70.02978	1.4
71.01370	4.9
83.01417	0.8
88.04041	78.0
89.75794	0.7
91.05527	2.8
95.05031	0.8
97.02932	1.5
109.02949	4.6
111.04491	1.3
114.01964	5.2
115.00368	13.8
116.27837	0.6
117.03461	0.8
121.02931	1.2
123.04512	2.1
125.02446	28.0
126.02754	1.1
127.03999	1.9
132.03027	100.0
133.03311	2.2
134.06177	1.0
135.04523	3.7
137.02460	5.3
139.13014	0.7
149.02415	1.0
151.03987	3.6
155.03542	0.7
157.19571	0.6
161.02432	8.6
161.06081	0.9
162.03163	1.0
164.01199	0.8
165.01950	1.3
175.04013	2.4
177.01898	1.1
179.03445	1.1
187.04031	2.1
199.02473	2.0
201.05505	1.1
203.07166	2.9
205.01450	1.1
205.05049	2.4
206.08247	1.3
207.20961	0.8
221.08478	0.7
229.05093	0.9
232.06062	1.1
243.03055	1.1
245.04660	1.4
245.08171	3.9
250.07204	71.7
251.07521	5.1
255.03015	2.1
257.04691	0.9
273.04010	1.4
281.04648	1.4
285.04092	0.9
287.05637	4.3
289.07199	18.8
289.10263	1.2
290.07507	1.3
297.04138	0.8
299.05563	2.8
339.08728	1.0
381.10226	0.7
388.55576	0.8
407.07721	22.3
408.08167	2.0
419.17523	0.7
423.47314	0.8
423.63528	0.8
425.08771	23.5
426.09195	3.7
451.10391	6.4
452.10669	1.2
517.61145	0.6
577.13489	16.0
578.14044	2.3
740.88708	0.7
747.18097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	0.2
61.98829	100.0
62.98531	0.2
70.67554	0.3
70.67905	0.2
72.72033	0.2
75.00873	0.9
88.04060	0.3
88.98812	1.2
89.02466	0.2
96.96030	0.2
100.93117	0.1
102.98216	0.1
102.99010	0.1
104.03512	0.7
110.13941	0.1
143.20274	0.1
207.10197	0.2
209.11824	0.4
223.13477	0.1
277.21747	0.2
291.19702	0.4
465.08347	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	828.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
78.95871	0.2
80.96503	0.6
128.93883	0.2
229.51791	0.3
240.09055	0.2
241.58318	0.3
266.07889	0.3
434.62988	0.2
496.22946	0.3
829.47437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.0
60.99301	1.0
61.98830	100.0
69.03489	0.7
70.67782	0.8
70.68109	0.8
71.01395	3.3
72.99332	0.9
73.02958	0.7
75.00883	1.7
75.92973	0.5
76.77734	0.5
78.91870	1.4
78.95906	0.8
80.02705	0.5
83.01391	0.9
87.00876	1.0
88.98806	7.5
89.02434	3.8
95.05041	0.7
96.96996	0.5
97.02937	0.6
97.06606	1.1
101.02459	2.1
105.70615	0.6
113.02467	0.9
119.03587	0.6
123.04526	0.8
125.09722	1.3
137.09654	0.6
138.67387	0.5
149.06073	0.6
161.04572	0.9
163.11295	2.6
165.12910	0.7
167.10815	0.6
169.98282	0.6
171.10298	1.6
179.05699	0.7
183.13885	3.6
185.11826	1.7
186.14854	0.7
191.14455	1.3
191.37576	0.5
193.12357	1.4
207.10286	1.3
209.11800	4.7
211.13385	66.3
212.13759	4.6
217.15718	0.5
225.11302	0.9
225.29329	0.5
235.08246	2.1
238.14211	0.6
245.19061	2.7
253.09279	6.9
263.20187	1.3
271.17157	1.1
277.21820	1.2
289.18079	17.2
290.18652	1.5
291.19943	0.7
293.21494	0.8
307.19144	17.9
308.19617	1.7
357.20166	0.6
447.22290	3.4
501.31894	1.0
621.32996	2.5
737.41461	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	827.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
60.99307	17.6
61.98827	5.4
64.89324	0.4
71.01385	0.8
71.52422	0.8
87.00892	0.9
88.00404	2.0
88.98806	100.0
89.02446	6.9
89.99143	1.0
96.96001	2.0
100.95970	0.4
105.01958	0.5
116.92832	2.5
117.92863	1.0
121.02950	0.7
125.02435	1.1
137.02432	0.7
157.06190	2.1
158.04617	0.6
171.10211	0.8
209.11882	2.3
227.12775	0.7
327.21872	0.7
337.75964	0.5
456.74084	0.5
828.39624	0.5
845.65149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	1.0
59.01377	14.7
61.98829	20.2
69.03448	3.7
71.01019	0.7
71.01386	13.7
71.05007	1.0
72.99309	1.2
73.02940	2.9
83.01386	1.2
83.04984	1.0
85.02945	3.9
87.00874	3.6
89.02444	11.3
95.01392	1.3
97.02976	1.7
101.02444	11.5
113.02459	7.1
119.03490	3.4
124.09489	0.6
125.02453	4.7
143.03508	1.5
149.09674	1.1
161.04541	2.8
167.10742	4.4
171.10281	2.0
177.12813	0.8
179.05635	3.8
179.10799	1.4
179.14389	3.7
183.13911	1.1
195.13902	11.8
196.14198	0.8
197.11816	1.1
201.11200	0.9
205.12334	9.2
206.12506	0.8
209.11818	1.6
221.06580	0.8
223.13385	100.0
224.13733	7.3
225.11241	1.2
235.08163	3.6
253.09152	1.5
287.07758	1.0
292.31454	0.7
305.08862	0.9
309.20602	1.2
323.09689	1.2
361.55545	0.7
379.12570	3.1
397.13474	23.6
398.13837	2.5
411.25363	1.0
415.14487	5.9
429.26581	1.5
603.26550	8.6
621.27820	10.2
622.27869	2.3
809.39911	1.7
827.42041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
60.99316	1.8
61.98832	100.0
71.01382	5.6
71.50018	2.8
71.50402	2.1
75.00871	24.8
85.02926	2.4
87.00861	3.4
88.98811	7.0
89.02464	2.2
90.33737	1.9
90.43213	1.7
97.02945	2.0
101.02421	2.0
111.82345	1.9
116.92907	2.4
163.03870	2.0
171.10286	3.6
179.91029	1.9
197.11873	2.0
207.10162	3.0
209.11815	3.4
221.11838	14.0
223.13390	15.0
225.11403	4.8
225.35788	2.3
227.13252	2.0
239.12914	16.2
241.41350	2.0
253.09302	7.4
277.21512	2.2
289.18085	5.1
290.18845	2.0
291.19687	11.6
292.20090	2.8
293.21228	4.1
307.19028	2.0
309.20773	16.3
310.21225	2.4
323.22296	2.8
475.22055	2.7
684.96051	2.1
767.41083	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	827.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.6
60.49642	1.1
61.98829	8.4
66.30040	1.0
70.46000	2.9
71.01405	2.2
81.03473	2.0
83.01387	3.4
88.04022	1.4
89.59149	1.0
93.03456	2.4
95.05058	2.0
97.02959	2.8
101.99422	1.0
107.04985	1.3
108.02149	1.5
109.02950	14.8
111.00835	1.1
116.92835	5.5
121.02941	4.7
122.03717	2.2
123.00893	1.1
123.04522	10.4
124.01521	1.1
125.02448	100.0
126.02774	4.0
132.03069	2.2
133.02957	3.0
135.04510	3.6
135.08125	3.5
137.02449	19.8
139.03990	2.5
139.52583	1.1
145.02950	4.8
146.03712	1.2
149.02455	6.0
150.03246	6.7
151.00372	2.6
151.03987	9.1
151.11259	1.1
152.01160	1.4
159.04509	4.1
161.02422	17.4
161.06061	4.6
162.03162	3.1
163.00427	1.9
163.04010	5.0
164.01154	3.3
165.01907	9.1
165.05559	5.0
166.02704	1.8
167.03485	1.5
169.01392	16.8
175.03934	7.6
175.07637	1.3
177.01941	6.3
177.05466	1.2
179.03529	6.3
179.07132	11.8
180.04285	1.4
181.04988	1.7
185.05934	1.4
187.03986	3.9
190.02664	1.4
191.07120	3.0
193.01392	1.6
195.06604	3.7
199.03917	1.8
201.05568	2.2
203.03470	3.5
203.07202	6.7
203.08803	1.2
205.01328	1.5
205.05019	4.5
211.03897	1.4
212.04744	1.3
215.03578	1.3
217.05043	1.4
219.06598	5.4
221.08200	2.0
223.09727	13.0
224.10147	1.3
225.11450	1.1
227.07089	1.2
229.05147	2.6
231.06659	2.9
243.02946	3.6
245.08167	8.5
246.08368	1.4
253.04987	2.8
255.03088	2.3
259.06131	1.8
262.08441	1.3
269.04507	6.2
271.06161	9.8
272.06421	2.4
281.04468	2.4
285.03970	1.9
287.05600	3.3
289.07178	47.6
290.07590	2.4
299.05646	1.9
303.05035	2.4
339.08710	1.8
343.11829	3.4
353.10229	2.1
367.11902	1.2
371.11423	1.3
385.12909	8.5
386.13196	1.1
407.07709	8.3
433.09351	3.3
441.08298	10.5
442.08304	2.6
451.10309	8.5
467.13400	1.1
487.13782	2.3
505.15121	25.9
506.15503	3.6
523.16003	6.4
549.38770	1.2
603.11554	2.5
618.04968	1.3
629.26147	1.5
657.20013	2.1
675.20386	11.0
676.20477	2.9
729.13940	1.9
789.33234	3.7
827.22382	3.4
828.22113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98824	10.4
67.19767	1.0
71.01389	1.1
71.52428	1.6
72.34367	1.0
73.63444	1.0
81.03436	2.5
83.01391	6.0
93.03471	1.5
95.01374	1.5
95.05019	3.2
96.96025	1.2
97.02943	3.6
105.03478	1.0
108.02182	2.3
109.02952	18.2
116.92861	3.6
117.03429	1.0
121.02971	5.3
122.03745	1.7
123.00913	1.7
123.04530	11.0
124.01717	1.3
125.02441	100.0
126.02793	3.5
132.03044	2.1
133.02940	4.0
135.04512	3.9
135.08136	3.0
137.02434	19.7
137.06023	2.3
139.04033	1.5
145.02980	5.9
146.03743	1.3
147.04504	1.4
149.02437	7.3
150.03201	5.4
151.04022	13.0
159.04507	7.0
161.02448	22.0
161.06030	5.3
162.03108	3.3
163.00380	2.8
163.04054	5.0
164.01117	3.5
165.01915	10.4
165.05600	4.8
166.02635	1.6
169.01418	22.1
173.06143	1.4
174.03253	1.2
175.03979	6.8
175.07585	1.5
176.04584	1.0
177.01959	6.8
179.03517	4.8
179.07091	12.5
180.04095	1.4
185.06049	2.7
187.04007	4.7
188.04665	2.5
189.01929	1.3
190.02722	1.5
191.03416	1.4
191.07112	3.3
193.01373	2.5
195.06528	4.8
197.06100	1.2
199.04001	2.0
201.01920	1.4
201.05510	3.1
202.06308	2.0
203.03423	2.6
203.07146	7.0
205.01421	1.6
205.05031	5.9
209.08153	1.5
211.34676	1.0
212.04779	1.7
217.04965	2.1
217.08627	1.4
219.06584	8.0
221.08183	1.0
223.09743	14.5
224.10190	1.3
225.05389	1.3
227.03349	1.6
227.07188	1.6
229.05090	2.7
229.08557	1.2
231.06567	3.2
243.03032	2.3
244.03587	2.1
245.04416	2.2
245.08192	9.7
253.04962	3.8
255.02873	3.1
255.06711	1.1
256.03680	1.8
259.06143	1.2
269.04541	1.6
271.06186	8.8
272.06281	1.5
281.04626	1.9
285.04141	1.9
285.07568	1.1
287.05560	4.5
289.07172	55.8
290.07480	4.5
297.04187	1.4
297.07401	2.0
299.05569	2.2
303.05087	1.7
309.07858	1.3
339.08636	1.9
343.11899	3.2
353.10068	1.3
385.12946	11.8
407.07700	7.8
408.08017	2.2
433.09229	4.3
441.08170	12.1
442.08438	1.7
449.12164	2.1
451.10358	9.7
452.10818	1.4
461.11548	1.8
467.13199	3.0
473.73343	1.1
487.13800	1.3
503.97345	1.0
505.14999	32.2
506.15527	5.3
523.16071	5.4
565.21857	1.1
603.11438	1.5
629.25342	1.7
657.18335	3.6
675.20160	11.5
676.19550	2.2
789.33521	4.7
790.33423	1.4
791.34418	1.9
827.21265	6.8
828.21509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.2
59.79628	0.9
60.53806	0.8
61.98826	8.7
65.44846	0.9
71.01371	5.1
72.99302	3.0
73.02962	1.5
75.00880	2.2
78.95910	3.2
80.53096	1.0
80.96509	1.6
85.02962	1.4
87.00890	1.0
89.02439	4.0
96.96974	0.9
97.06586	0.9
101.02440	4.2
105.01934	36.0
108.01575	0.9
108.13708	0.9
113.02422	1.7
113.09735	12.9
113.74610	0.9
114.10047	1.3
116.92855	1.6
119.03515	1.0
139.11302	1.7
152.99571	1.5
161.04523	1.1
167.10789	1.1
171.10298	1.4
177.12755	1.3
179.10707	1.9
195.13895	16.5
196.14336	1.2
235.08112	2.2
249.22292	1.6
253.09245	15.0
255.23358	1.4
269.77335	0.9
277.21683	17.7
278.22180	1.2
279.23288	1.8
282.41235	0.9
293.21225	86.8
293.67538	0.9
294.21451	7.2
295.22766	100.0
296.23071	9.8
327.21600	1.2
825.43787	3.1
826.43420	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	825.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70490	0.4
59.01377	5.4
60.99299	0.4
61.98833	13.5
69.03456	1.1
71.01392	6.0
71.49589	0.4
72.99307	0.6
73.02934	1.5
78.95884	0.9
80.96510	0.8
81.03448	0.7
83.01387	1.3
85.02458	0.6
85.02950	6.3
85.26064	0.3
87.00872	1.7
88.13855	0.4
88.98795	0.9
89.02461	3.3
95.01426	0.5
95.05036	0.5
97.02949	1.4
97.06591	1.4
99.00861	0.9
99.51086	0.4
101.02451	6.8
113.02458	3.1
115.03999	0.4
116.92860	0.7
119.03452	1.1
125.02441	0.7
125.09682	0.6
127.11269	0.8
133.05054	0.7
137.09735	1.7
143.03484	0.7
145.05038	1.8
148.99129	0.4
155.10757	0.6
161.04562	2.9
171.10278	16.1
172.10588	0.8
177.12729	0.4
179.05635	0.5
183.13846	1.6
193.12372	0.8
201.11447	0.9
209.11806	0.7
211.13396	6.7
212.13644	0.4
216.15395	0.4
221.11768	1.4
229.14438	4.5
235.08217	16.7
236.08475	1.1
239.12932	0.7
253.09268	17.4
254.09605	1.0
277.21872	0.5
279.23282	100.0
280.23639	10.6
291.19806	2.7
291.22903	0.5
309.20724	7.0
310.20929	0.7
327.21753	50.5
328.22076	4.8
331.67398	0.5
395.84525	0.4
545.29773	1.7
563.30682	1.7
589.44525	1.2
690.30725	0.5
825.43439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33500	0.1
59.01376	0.2
60.73454	0.1
61.98829	100.0
62.98536	0.2
62.99252	0.1
71.01385	0.2
78.95918	0.2
80.96555	0.1
88.98867	0.1
102.15672	0.1
113.78078	0.1
149.26282	0.1
211.13394	0.2
221.11998	0.1
237.73793	0.1
253.09326	0.3
254.09561	0.1
277.21774	0.3
278.22177	0.2
279.22845	0.1
291.19830	0.1
293.21231	0.3
294.21533	0.1
296.23083	0.1
304.58728	0.1
310.21204	0.2
311.22070	0.2
312.22653	0.2
327.21799	0.2
328.22220	0.2
329.22638	0.1
337.57388	0.1
503.01007	0.1
703.66827	0.1
735.44415	0.1
739.09229	0.1
824.84052	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	825.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	18.0
61.98817	0.8
65.15684	0.2
68.99574	0.2
75.49507	0.3
85.21352	0.2
87.00884	1.4
88.00407	3.1
88.98804	100.0
89.02441	17.1
89.99132	0.9
90.02754	0.3
135.81133	0.2
223.13403	0.6
253.09348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
60.99304	19.6
61.98832	0.5
66.32681	0.2
68.99578	0.3
71.01392	0.3
78.95890	0.2
87.00876	2.0
88.00401	3.9
88.04046	0.4
88.98803	100.0
89.02438	21.7
89.99146	1.0
95.52116	0.2
98.19859	0.6
124.73007	0.2
223.13353	0.7
229.26396	0.3
230.90117	0.3
274.06406	0.3
293.21243	0.5
489.52573	0.3
514.51123	0.3
583.79663	0.3
593.27618	0.3
724.91266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
68.15601	16.4
69.37246	16.4
69.90122	61.8
78.95898	60.9
80.96510	44.8
96.80924	15.4
98.19897	25.1
119.43639	14.0
138.18718	13.0
141.75627	15.8
156.87988	14.0
157.10162	13.4
191.99475	14.1
196.89445	32.3
221.35623	13.0
272.89221	17.2
277.21536	26.9
293.21295	52.7
444.95721	14.0
825.43781	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	825.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.98829	10.7
69.03447	2.4
71.01357	1.7
71.51405	1.2
71.51862	1.4
81.03446	6.8
83.01390	13.9
83.05025	6.8
88.04050	1.1
88.98788	1.4
92.38287	1.3
93.03455	4.2
95.01353	1.3
95.05025	2.2
96.95998	4.7
97.02956	4.4
98.45675	1.3
99.04546	1.5
100.07690	1.4
108.02161	3.4
109.02955	17.2
110.37737	1.1
111.00886	1.3
111.04520	1.4
116.92851	2.3
117.86166	1.4
121.02945	5.8
122.03715	2.4
123.00871	2.0
123.04506	11.4
124.01616	3.7
125.02447	89.7
126.02764	3.6
131.04636	1.5
131.07043	1.2
132.03047	3.9
133.02942	2.4
135.00854	1.7
135.04524	4.1
137.02444	100.0
138.02843	3.8
139.03981	2.9
139.04968	1.6
145.02956	6.2
146.03729	7.1
147.04454	1.7
149.02454	7.1
149.06015	1.5
150.03232	10.9
151.03984	9.6
152.01118	4.6
159.04483	4.6
161.02449	12.7
161.06068	5.2
162.03056	2.0
163.00363	2.6
163.03922	2.9
164.01154	19.2
165.01932	35.7
166.02350	2.4
166.34557	1.3
167.03505	16.9
168.03764	1.5
169.01411	4.9
171.10315	1.3
172.05235	2.2
173.06006	4.6
174.03206	5.4
174.06764	2.6
175.04005	7.2
175.07614	7.8
176.04594	1.4
177.01942	7.9
178.02484	1.2
179.03479	12.5
185.05994	3.6
187.04027	6.8
187.07591	4.9
188.04735	5.2
189.05513	2.9
190.02664	2.4
191.03426	1.9
199.03996	1.5
199.07599	1.5
199.18095	1.5
200.04761	3.7
201.05530	3.5
201.09196	5.3
202.06171	2.5
203.03416	1.7
203.07150	13.6
204.04254	1.5
205.05032	5.0
205.08713	2.5
209.06071	1.7
211.04005	2.1
215.07071	1.7
217.05075	2.3
217.08655	9.0
219.02988	1.3
221.08170	6.0
223.09734	1.4
225.05556	3.0
227.03430	1.7
227.07187	3.7
229.05086	3.1
229.08633	10.4
243.02892	4.2
243.16983	2.0
245.04489	2.5
245.08217	8.8
247.05995	2.5
247.09741	12.8
253.04976	4.7
255.02901	4.5
256.03677	2.5
257.04288	2.0
265.07205	4.1
269.04547	2.1
271.06079	16.9
272.06454	2.2
281.04068	1.4
281.11719	2.9
283.10294	1.4
285.04056	2.2
287.05588	4.6
289.07178	58.1
290.07550	3.8
299.12939	1.6
323.12769	6.2
339.08701	1.8
367.11850	24.6
368.12378	3.1
373.26166	1.6
383.11276	2.1
385.12906	55.9
386.13235	5.5
389.06528	2.3
407.07578	21.9
408.08212	3.8
425.08737	1.6
433.08847	1.4
439.10147	3.6
450.84811	1.7
451.10196	4.0
505.14590	1.6
537.14020	4.6
577.13599	2.4
655.16840	1.7
673.19226	3.8
824.55988	11.2
825.56543	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	825.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
62.70360	0.8
65.03957	3.4
66.53486	0.8
67.01888	2.7
68.99829	1.0
69.03447	2.0
70.99038	1.8
71.01382	4.5
83.01395	12.4
85.02948	2.3
89.02457	1.9
89.03963	1.7
93.03446	3.1
95.01406	0.8
101.02441	2.0
107.01390	1.1
107.05019	6.8
109.02952	15.4
111.00887	2.1
113.02454	2.6
123.00873	9.5
123.04546	1.7
124.01662	15.0
125.02448	56.0
126.02772	2.5
127.03982	1.4
133.02933	5.7
136.98868	1.1
137.02446	61.3
138.03271	9.1
139.00380	5.5
140.01118	1.5
146.18655	1.0
149.02487	2.3
150.03223	4.0
151.00430	1.3
151.04007	55.1
152.04355	2.2
153.01872	0.9
153.05571	5.0
155.03519	1.8
165.01950	2.0
168.00578	1.2
169.01402	7.1
175.00269	1.9
176.01155	2.0
177.01927	30.7
178.02444	2.1
180.04239	0.8
181.01321	0.9
190.02704	2.2
191.03493	2.9
195.02989	1.6
205.05080	2.6
208.03737	1.1
211.06041	1.2
215.03447	2.7
217.01331	1.5
217.03406	1.4
218.20689	1.0
221.08179	1.9
223.06052	3.7
229.05034	2.7
230.05811	1.1
232.03676	0.9
240.04265	1.0
245.08232	1.0
256.03656	1.4
257.04654	5.3
272.06937	3.8
273.04102	2.1
283.02390	1.3
284.03149	1.2
285.04007	3.1
288.06378	2.2
289.07193	1.5
301.03482	2.2
303.08746	26.8
304.08972	2.4
313.05618	10.9
314.05923	1.6
316.05807	4.4
331.08206	77.0
332.08560	8.0
373.11389	2.5
385.11163	1.7
425.08929	1.0
511.14551	100.0
512.14917	16.0
559.60590	1.0
619.09796	1.0
645.14685	3.1
825.21167	11.6
826.21039	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.9
59.01783	0.8
61.98832	34.2
71.01380	7.4
72.99321	0.9
73.02962	1.0
75.61493	0.8
78.95903	1.5
80.96496	1.4
83.05029	1.6
85.02936	3.1
87.00895	1.8
88.98758	1.0
89.02434	6.1
93.50101	0.9
97.06561	1.3
99.00851	1.3
101.02460	7.5
105.01905	2.0
111.08163	5.1
113.02423	2.6
113.09725	9.9
116.92846	5.8
119.03485	1.1
123.09715	0.9
134.21065	1.1
143.03432	1.1
161.04512	2.9
167.10721	2.1
171.10225	2.6
177.12825	2.6
179.10817	1.6
179.14540	1.1
181.12373	1.0
195.13893	23.5
196.14124	1.4
197.11926	1.5
209.11763	1.1
223.13364	2.9
228.13596	1.0
235.08159	2.9
241.01347	1.0
247.20570	2.4
249.22234	1.2
253.09285	23.8
254.09315	0.9
256.12973	1.1
273.18713	1.2
275.20120	4.9
277.21707	18.9
278.21878	2.9
291.19641	70.3
292.19952	7.3
293.21225	100.0
294.21576	10.8
295.22763	92.0
296.23169	11.1
300.78870	1.0
309.20755	7.0
311.22208	2.2
317.21695	0.9
325.19937	1.6
327.21576	3.0
402.32037	1.0
596.34521	0.9
823.41425	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	823.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.6
59.01376	10.7
61.98833	2.3
69.03452	3.0
71.01373	9.3
72.99303	0.7
73.02939	1.6
81.03454	0.4
83.01391	1.7
83.05022	0.9
84.02150	0.4
85.02943	12.6
87.00868	1.4
89.02436	7.7
91.03993	0.4
95.01360	1.3
95.05018	1.1
97.02968	3.1
97.06590	3.4
101.02444	9.0
105.13942	0.4
111.08152	0.8
113.02459	4.5
119.03503	1.8
123.08140	0.9
125.02401	1.0
125.09725	8.4
127.07629	0.5
127.11285	1.9
133.05078	0.9
137.09721	4.2
143.03499	1.3
155.10788	1.6
161.04550	4.0
163.11285	0.9
165.12889	1.0
171.10260	41.5
172.10637	2.5
179.05577	1.8
181.12317	0.9
183.13863	2.2
185.11845	1.2
187.09727	3.2
193.12315	1.5
195.13904	4.3
197.11852	3.7
199.13348	0.7
201.11327	2.5
209.11774	1.4
211.13374	12.6
212.13687	0.8
221.11720	2.3
223.13289	0.5
227.12863	0.8
229.14404	7.9
229.16486	0.7
229.47127	0.6
230.14899	0.4
235.08211	7.6
239.12846	1.4
247.20622	1.0
253.09256	36.1
254.09569	1.5
255.23251	3.6
273.18558	0.9
275.20096	1.0
277.21701	78.0
278.22089	6.9
291.19623	10.3
292.20013	1.1
293.21231	13.5
294.21497	1.0
295.22763	17.4
296.22980	1.6
309.20703	30.7
310.20999	3.1
311.22247	10.5
312.22629	0.9
327.21738	100.0
328.22086	10.1
351.21750	0.7
545.29437	3.0
563.30621	5.2
564.31238	1.1
587.43207	3.7
749.31238	0.5
823.46735	9.5
824.47357	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	823.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67057	6.3
61.98833	100.0
63.99242	6.6
67.38015	6.6
71.01385	9.1
101.02469	7.9
116.92851	14.6
135.93782	6.3
163.11302	8.9
171.10223	14.4
183.79518	6.5
197.11818	9.6
199.09718	12.8
201.11368	8.8
209.11856	91.2
225.11205	9.6
226.12039	6.4
227.12813	14.2
248.25606	6.6
253.09189	21.2
291.19714	11.6
293.21332	9.5
307.18927	11.4
309.20657	45.1
445.20618	12.6
468.62842	7.4
812.11963	7.8
823.42468	29.3
824.42694	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01375	5.7
61.98829	1.5
64.76929	0.4
69.03448	1.3
70.33510	0.3
71.01375	4.5
73.02956	0.8
79.63589	0.4
83.01421	0.4
85.02939	1.3
87.00875	0.6
89.02447	3.0
95.01392	0.8
97.02951	3.2
97.06545	0.5
101.02440	4.5
109.06593	0.4
111.08157	3.2
113.02451	2.9
114.43631	0.4
119.03456	1.1
123.04548	0.6
125.09746	0.7
137.09714	1.1
143.03540	0.5
151.11235	0.5
153.12823	0.5
161.04601	3.0
163.11279	1.3
165.12859	2.9
167.10692	0.5
169.12354	1.1
171.10268	3.2
177.12811	0.6
179.05612	1.0
179.10875	0.4
179.14406	1.4
181.12334	1.2
183.13821	0.7
187.50026	0.4
193.12366	1.0
193.15833	0.6
195.13901	9.2
196.14551	1.0
197.11832	15.4
198.12163	1.2
199.13463	1.0
201.19823	0.4
205.12262	0.6
205.15964	0.8
209.11908	1.0
211.13394	3.4
223.13367	6.4
224.13927	0.4
227.12881	2.4
228.13699	0.6
229.51994	0.4
231.21117	0.6
235.08174	2.5
247.20683	2.2
253.09277	27.0
254.09648	1.0
256.13135	1.2
263.20096	1.0
265.18137	0.5
265.21692	0.6
266.22147	0.4
269.66156	0.4
273.18604	0.9
275.20135	6.3
276.20508	0.7
291.19659	27.9
292.20041	3.1
293.21228	100.0
294.21552	10.4
309.20709	62.4
310.21036	6.4
328.62662	0.3
405.98648	0.3
432.87402	0.4
492.21939	0.5
529.30267	0.7
545.29614	1.0
585.41809	2.7
586.41559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
58.00616	0.8
59.01377	8.0
61.98839	1.5
66.61472	0.4
69.03458	1.1
71.01377	5.6
73.02954	1.7
83.01434	0.7
85.02967	1.5
86.26311	0.5
87.00877	0.8
89.02438	4.2
97.06579	0.5
101.02438	6.2
110.14500	0.5
111.08160	9.4
112.83502	0.5
113.02457	2.1
119.03536	1.2
124.37167	0.5
127.07713	1.0
130.04752	0.5
141.09135	0.6
143.03557	0.9
151.11285	0.6
153.12793	1.0
161.04529	2.7
164.99161	0.5
167.10699	0.6
169.12341	3.1
171.10303	1.1
179.05606	1.2
179.10866	0.9
179.14468	1.1
181.12341	1.4
183.13881	1.0
190.35999	0.4
195.13892	7.9
196.14613	1.2
197.11826	42.1
198.12143	2.0
199.13495	2.2
211.13390	7.4
223.13368	5.7
227.12804	0.7
228.13522	0.9
229.22493	0.5
231.21283	0.7
235.08229	2.6
253.09276	31.1
254.09615	1.7
256.13104	1.0
263.20016	2.8
265.18079	1.5
275.20166	5.9
276.20459	1.0
291.19635	15.3
292.19922	1.8
293.21228	100.0
294.21561	9.0
309.20709	61.0
310.21121	5.7
529.29926	0.7
545.29333	1.2
585.41370	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	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
58.00624	0.5
59.01381	6.2
61.98843	1.2
69.03455	0.9
71.01385	4.9
73.02975	0.9
76.56676	0.4
81.03466	0.4
83.05037	0.7
85.02956	1.0
89.02435	4.0
89.02847	0.4
97.02961	2.8
97.06580	1.0
98.20734	0.9
101.02446	5.2
109.06568	0.5
111.08160	4.7
113.02396	2.4
119.03522	1.1
125.09801	0.5
127.07664	0.5
137.09740	0.5
161.04616	2.6
163.11316	0.7
165.12840	1.8
169.12376	1.9
169.13708	0.4
171.10269	2.9
177.12880	0.5
179.05649	1.2
179.14417	0.8
181.12361	1.2
182.44905	0.4
183.13887	0.7
193.12372	1.2
195.13898	10.5
196.14545	0.9
197.11827	18.6
198.12189	1.2
199.13361	0.9
205.12305	0.5
209.11789	1.2
211.13374	3.9
212.13701	0.6
223.13365	5.9
227.12854	1.4
228.13646	0.7
229.25854	0.6
235.08240	1.6
247.20668	1.8
253.09271	29.4
254.09714	1.3
256.13202	1.5
263.20181	1.7
265.18045	0.6
273.18576	1.2
275.20178	6.2
276.20468	0.8
280.62326	0.5
291.19656	22.8
292.19894	2.4
293.21222	100.0
294.21539	11.6
309.20697	66.7
310.21039	7.8
460.65747	0.5
492.22443	0.5
527.28467	0.7
529.29987	1.0
529.94446	0.4
545.29559	1.3
546.02179	0.5
585.41595	2.7
659.09900	0.5
796.76050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01378	9.4
59.45924	0.7
60.30013	0.7
69.03444	0.9
69.33625	3.6
69.34034	1.7
71.01380	6.7
83.01363	1.2
85.02959	1.6
87.00851	1.0
89.02457	5.1
95.05011	1.9
101.02461	5.2
111.08158	10.6
113.02449	2.7
121.06676	0.7
149.09706	1.0
152.18222	0.8
161.04543	2.3
167.10764	1.9
177.12836	2.5
179.10794	1.6
179.14337	1.4
195.13911	15.6
205.12155	1.2
211.13383	1.0
223.13348	6.2
225.14885	0.8
235.08151	2.0
247.20593	1.7
253.09296	16.9
256.13177	1.4
273.18610	1.9
275.20142	8.1
291.19656	100.0
292.20059	10.5
293.21219	94.4
294.21640	8.5
309.20465	0.9
396.09576	0.8
537.15857	0.8
539.00165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01112	0.7
59.01380	7.3
61.98828	18.8
67.01894	1.0
71.01379	5.6
71.48739	0.6
73.02936	1.5
83.05027	0.9
85.02947	1.2
87.00842	1.4
89.02415	3.7
90.54182	0.7
95.01383	0.8
95.05016	1.1
97.06596	1.3
100.12917	0.6
101.02457	4.3
111.08147	1.9
113.02438	3.3
119.03443	0.7
121.10218	3.8
123.08101	0.8
125.09706	5.0
147.64917	0.7
161.04539	1.9
164.13176	0.6
167.10704	1.0
167.14449	1.3
171.10268	19.5
172.10675	1.5
175.11299	0.7
179.05664	0.8
185.11850	4.7
195.13870	9.0
196.14381	1.4
197.11798	1.6
205.12222	0.8
209.11812	0.8
211.13382	81.0
212.13759	5.0
223.13362	6.0
235.08203	5.2
251.16510	1.6
253.09270	21.7
254.09721	1.2
273.18503	1.1
275.20166	7.9
291.19650	70.0
292.19922	7.1
292.22174	0.6
293.21216	100.0
294.21545	10.9
309.20782	4.6
310.21017	0.7
316.93320	0.7
407.19196	1.2
447.22037	3.1
527.28534	6.9
528.28882	1.8
529.30084	2.0
567.40784	0.7
803.48932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
60.02629	0.1
61.98829	100.0
62.93666	0.2
62.98526	0.2
63.99263	0.3
71.01375	1.0
71.05016	0.1
80.96559	0.2
84.95166	0.1
85.02970	0.3
87.00889	0.2
89.02470	0.5
97.02958	0.2
101.02418	0.9
105.23007	0.1
109.06606	0.2
111.08178	0.4
113.02442	0.3
119.03527	0.2
121.10267	0.3
125.09734	0.3
161.04521	0.3
163.11249	0.2
171.10271	1.2
178.99945	0.2
179.05623	0.2
181.12347	0.2
181.72583	0.2
185.11823	0.3
195.13875	1.1
196.14389	0.2
197.11925	0.6
209.11961	0.2
211.13396	3.7
212.13692	0.2
223.13306	0.7
224.13664	0.2
235.08228	0.3
235.17076	0.4
245.19250	0.2
253.09282	2.6
254.09663	0.2
275.20187	1.3
277.21927	0.4
289.18079	1.2
290.18549	0.8
291.19644	5.8
292.19983	2.0
293.21201	9.5
294.21509	1.1
295.22662	0.4
307.19138	1.2
308.19452	0.7
309.20654	3.3
447.22333	0.2
527.28717	0.4
528.28583	0.2
529.29370	0.3
545.29626	0.4
555.18909	0.2
561.96039	0.2
668.56580	0.2
820.50159	0.5
821.39423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98830	100.0
62.98536	0.6
63.99235	1.8
70.45787	0.7
71.01386	0.9
75.43929	0.3
78.95904	1.9
79.95718	0.5
80.91715	0.4
80.96516	1.3
85.02987	0.3
85.42796	0.3
89.02475	0.3
94.38434	0.3
96.96971	0.4
99.00965	0.3
101.02452	0.3
105.01934	0.4
125.02486	0.5
152.99641	0.5
182.32521	0.3
195.13919	0.5
197.11948	0.3
209.11810	3.0
211.13425	0.4
225.00826	0.4
227.12968	0.7
241.01271	0.9
253.09373	0.5
288.41071	0.3
289.18250	0.4
293.21317	0.7
295.22885	0.6
309.20645	0.4
341.23175	0.3
441.18689	0.3
548.53705	0.3
821.40527	3.6
822.41595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01371	3.9
61.98830	100.0
63.99241	1.2
65.03951	0.6
71.01375	3.6
71.05017	2.3
73.02940	1.2
76.14951	0.5
78.95927	0.9
80.64745	0.4
80.91708	0.7
80.96519	0.6
83.05045	0.8
85.02953	0.6
87.00880	0.6
89.02457	2.0
89.25562	0.5
95.01437	0.5
95.05048	0.9
96.96021	0.5
97.06609	0.9
101.02460	2.6
111.08156	2.4
113.02457	1.4
113.09687	0.6
119.03508	1.0
119.08656	0.5
121.10321	0.8
125.09731	0.5
129.10278	0.5
136.59233	0.4
137.09689	2.8
142.60789	0.4
143.03542	0.5
149.09674	0.4
151.11362	0.8
157.08658	3.1
161.04619	1.1
169.12286	0.5
171.10269	6.6
179.05582	0.7
179.14449	0.8
179.16830	0.5
183.13979	0.4
185.11868	1.5
194.38892	0.5
195.10237	0.7
195.13892	6.0
196.14386	0.8
197.11819	4.5
209.11838	1.3
211.13374	2.2
221.11874	1.4
223.13425	3.6
235.08214	1.5
247.20740	0.8
251.16513	3.0
253.09285	18.4
254.09624	1.2
256.13293	0.8
273.18716	0.7
275.20187	3.8
276.20648	0.7
277.21790	0.5
291.19650	14.3
292.20056	2.5
293.21225	57.1
294.21564	5.8
307.19049	0.6
309.20715	42.3
310.21008	5.7
314.47681	0.5
484.29138	0.6
529.30371	0.7
545.30048	1.0
585.41724	2.5
597.71643	0.5
835.91589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50951	0.9
59.01385	2.4
63.96236	1.4
70.27361	0.9
71.01376	9.4
73.02944	2.7
76.87569	0.9
78.95894	7.4
78.98585	7.8
79.95732	16.0
80.96516	97.0
81.03429	1.4
82.96088	2.2
82.96986	0.9
85.02943	4.4
87.00870	3.3
94.98083	24.5
96.96019	2.6
97.02937	2.3
101.02426	2.7
106.98088	5.1
115.70310	1.1
122.97562	4.5
125.02444	5.0
134.97554	6.4
136.99142	3.4
146.97626	1.1
148.99101	6.5
152.98596	8.9
152.99619	1.6
164.98627	14.6
206.99628	2.9
224.98657	1.7
225.00731	23.0
232.17142	1.0
255.23141	4.3
277.95428	1.0
281.25034	2.4
289.06287	1.0
293.21155	1.0
380.92700	1.0
387.81250	1.0
477.93497	0.9
537.27551	1.3
563.28564	2.1
819.52911	100.0
820.53326	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
59.01378	9.6
61.21820	0.4
61.98538	0.6
61.98829	10.7
69.03452	0.5
70.91779	1.2
71.01378	7.5
71.04993	0.5
73.02933	1.8
80.96531	0.7
81.03438	1.3
83.01392	1.6
83.05028	1.2
83.50455	0.5
85.02946	2.0
87.00862	1.6
89.02438	5.4
95.01411	0.7
95.05016	1.5
97.02937	1.6
97.06588	2.6
98.83309	0.5
101.02432	6.8
109.06591	0.8
111.08163	5.8
113.02454	3.8
119.03493	1.5
119.08617	0.6
121.06593	1.0
121.10231	0.5
123.04530	2.1
123.08154	1.3
124.27835	0.4
125.06060	0.6
125.09715	3.6
127.07559	0.5
129.01941	0.6
135.08116	0.5
137.09700	2.5
143.03522	0.6
149.06177	0.5
149.09839	0.5
151.11276	1.3
153.09254	0.5
161.04538	2.3
161.09756	0.7
163.11247	4.4
165.12836	1.3
167.10760	1.3
169.12347	1.6
171.10194	1.2
177.12813	1.3
179.05571	1.0
179.10773	1.7
179.14406	0.8
181.12315	2.3
185.11830	3.7
191.10764	0.8
191.14366	5.2
195.13879	10.1
196.14349	1.1
197.11821	13.3
198.12061	0.7
199.13339	0.5
205.12303	1.2
205.16029	0.6
207.10339	2.6
209.09906	0.6
209.11818	9.0
210.12100	0.6
211.13387	3.1
217.15944	0.8
219.78391	0.5
223.13362	5.9
225.11317	1.5
227.12851	1.1
228.13649	0.8
231.20992	0.5
235.08235	3.3
237.11386	3.0
245.19083	9.5
246.19527	0.6
247.17171	0.5
247.20518	1.2
253.09283	26.1
254.09683	1.2
256.13254	1.4
263.20105	3.2
264.20386	0.6
265.21619	0.5
271.16998	2.0
273.18640	0.8
275.20148	5.8
276.20337	0.5
277.21725	0.8
281.21249	0.8
289.18085	51.2
290.18481	4.9
291.19653	34.0
292.20062	2.8
293.21216	100.0
294.21478	9.5
307.19131	43.6
308.19467	3.8
309.20691	16.8
309.24225	0.9
310.20932	2.1
445.20609	0.5
492.22113	0.5
525.26898	1.5
527.28455	1.8
543.28040	1.9
545.29590	0.6
819.48749	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	819.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
59.01381	11.6
61.98831	43.8
68.99554	2.3
71.01384	10.3
71.05027	0.9
73.02939	1.3
78.95893	1.3
79.95736	0.8
80.96539	1.3
81.03440	1.0
83.01398	1.5
83.05027	2.1
85.02957	1.6
87.00867	1.8
89.02448	5.9
93.03429	1.1
95.05024	3.2
97.06608	1.0
98.19872	2.3
99.00877	0.9
101.02452	8.4
107.04982	1.1
109.06619	2.6
111.08157	11.8
111.16142	0.8
112.98489	0.8
113.02454	4.4
119.03502	1.8
123.08210	1.1
125.02383	1.0
127.07623	4.1
135.04570	0.9
137.09721	1.7
143.03537	0.8
145.05145	0.9
149.09720	1.2
151.11276	3.4
161.04552	3.1
163.11253	0.9
167.10780	2.7
171.10287	3.9
177.12801	3.6
179.05582	1.4
179.10785	2.9
179.14389	1.5
181.12224	1.1
184.58960	0.8
191.14375	2.2
195.13875	15.0
196.14384	1.1
197.11801	2.0
205.12369	1.2
207.14012	1.1
209.11798	1.9
211.13445	2.7
223.13377	6.5
233.15535	1.4
235.08260	5.0
235.13393	2.3
245.19122	6.3
247.20667	3.0
253.09256	21.8
253.14635	0.9
254.09631	1.8
255.23206	2.0
256.13254	1.1
263.20145	2.6
271.16953	2.7
275.20166	4.7
277.21707	7.2
279.19641	3.4
287.16553	1.1
289.18079	33.9
290.18344	2.9
291.19647	100.0
292.19977	11.1
293.21228	79.6
294.21603	7.4
305.17538	2.3
307.19131	57.0
308.19501	5.5
309.20764	2.0
354.65857	0.9
488.22568	0.9
525.26874	1.7
527.28760	2.3
543.28040	10.5
544.28845	1.7
801.47424	1.2
802.48474	0.9
819.49658	8.4
820.50598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.49
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
59.01375	8.2
59.60039	0.4
61.98828	28.3
63.36524	0.4
63.51561	0.4
69.03448	0.8
71.01379	8.9
72.99305	0.8
73.02940	1.9
78.95918	0.9
80.02672	0.9
80.96551	0.4
81.03490	0.5
83.01386	1.3
83.05016	2.0
85.02950	2.1
87.00887	2.0
89.02439	5.1
93.03472	0.8
95.01382	0.9
95.05020	1.3
96.96014	2.0
97.02973	1.2
97.06588	6.1
98.20635	1.4
99.00925	0.4
101.02448	5.8
102.64111	0.4
106.93544	0.4
107.05038	0.6
109.02197	0.4
109.02951	0.5
109.06586	1.1
111.08170	2.8
113.02428	2.4
113.09702	0.4
116.22447	0.4
118.18861	0.4
119.03501	0.6
121.10247	0.4
123.04498	0.5
123.08173	0.8
125.02441	0.7
125.09692	1.1
135.08199	0.4
137.09747	0.8
143.03455	0.6
145.05070	0.9
149.09727	1.2
151.11281	4.8
153.09192	0.7
153.12810	0.7
155.10760	1.6
161.04541	3.0
163.11298	2.2
165.12823	7.1
167.10788	1.9
169.12321	1.8
171.10257	0.9
177.09174	0.5
177.12822	1.0
179.05612	1.1
179.10751	1.9
179.14339	1.0
181.12326	5.9
183.13890	1.7
191.10762	3.3
191.14409	1.6
195.13887	8.6
196.14407	1.2
197.11859	1.0
205.12303	2.0
209.11821	20.2
210.12148	1.2
211.13451	3.5
219.04222	0.4
223.09843	0.5
223.13370	5.6
227.12849	7.2
228.13489	1.1
235.08264	4.0
239.09180	0.5
245.19087	8.2
246.19354	0.8
253.09261	15.9
254.09532	0.5
256.13132	1.8
261.18616	0.7
263.20145	13.9
264.20517	1.1
271.16891	1.1
275.20151	6.5
276.20456	0.6
277.21735	1.1
278.22260	0.5
279.19592	1.4
287.16589	0.6
289.18091	16.2
290.18405	2.1
291.19696	4.0
293.21216	100.0
294.21539	9.6
305.17633	0.6
307.19122	47.6
308.19452	4.3
309.20801	2.0
427.19739	0.8
445.20749	8.7
446.20966	1.2
460.19424	0.6
525.27014	1.8
543.28021	9.3
544.28326	1.2
623.27014	0.4
681.35138	0.8
721.41565	3.1
722.42456	0.8
736.40265	1.0
801.48096	0.7
819.49396	3.5
820.50287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.00603	0.3
59.01379	5.5
61.98830	14.2
62.03070	0.2
66.88052	0.2
69.03455	0.5
70.25018	0.2
71.01378	4.3
71.05021	1.6
73.02962	0.6
80.02677	0.6
80.91660	0.2
81.03440	1.0
82.95417	2.0
83.01402	0.5
83.05021	0.8
84.00926	0.3
85.02945	1.0
87.00870	0.8
89.02438	2.6
93.55756	0.2
95.01390	0.4
95.05035	1.0
97.02924	0.3
97.06596	0.4
98.03737	0.5
98.20047	1.1
99.00897	0.4
101.02442	3.4
106.04256	0.8
107.05018	0.2
109.02917	0.2
109.06587	7.3
110.06921	0.2
111.00877	0.2
111.04523	2.5
111.08168	1.7
112.05334	0.2
113.02451	2.1
113.09710	0.2
119.03518	0.7
119.08637	0.3
120.05788	0.3
121.06592	0.6
121.10241	0.7
123.08151	1.0
127.07673	1.0
129.09241	0.4
131.04994	0.2
133.05046	0.3
135.08156	0.5
135.11768	0.3
137.06084	0.4
137.09703	0.7
141.09229	0.2
143.03505	0.3
143.10748	1.2
145.05122	0.3
145.06586	1.6
149.09697	1.0
151.11272	0.6
159.08096	0.4
161.04572	1.5
161.09700	0.3
163.11249	0.3
167.10797	1.6
168.03851	0.2
169.12410	0.2
171.10265	2.0
177.09251	0.2
177.12827	0.6
179.05666	0.5
179.10753	1.1
179.14426	0.3
181.12299	0.8
191.14442	0.4
195.13899	7.8
196.14433	0.8
205.12341	0.3
205.15967	0.3
215.14238	0.2
223.13397	3.9
224.13818	0.4
225.14764	0.3
227.18079	0.2
228.13606	0.4
231.21042	0.4
233.15492	0.4
235.08211	2.7
235.13361	0.6
240.84543	0.2
245.19104	3.9
246.19464	0.5
249.14963	0.2
251.16493	0.5
253.09279	15.2
254.09604	0.6
256.13214	0.8
261.18762	0.3
271.17126	1.1
273.14914	0.6
275.20132	5.3
276.20432	0.2
287.16464	1.6
288.16977	0.3
289.18079	100.0
290.18439	10.3
291.19553	0.8
293.21213	63.6
294.21542	5.9
307.19141	4.6
308.19333	0.4
309.20593	0.3
326.02591	0.2
447.39069	0.2
459.37393	0.2
525.27008	3.9
526.27448	0.8
529.30121	0.4
565.39105	0.4
603.48157	0.2
801.48328	0.3
840.44647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
59.01381	14.9
61.98829	52.6
63.81101	1.0
69.03423	1.1
71.01379	10.5
72.99303	1.1
73.02944	3.1
73.55190	0.8
75.00893	0.9
78.22385	0.9
78.95901	1.4
81.03453	1.3
83.01398	1.5
83.04541	1.0
83.05034	2.4
85.02934	2.4
87.00874	2.6
89.02452	5.1
93.03444	1.1
95.05010	3.8
97.06546	2.4
98.20777	1.7
99.08117	1.0
101.02436	9.9
109.06599	2.9
111.08157	10.8
113.02430	4.4
119.03522	0.9
123.08175	1.1
125.02493	1.2
125.09745	1.2
127.07607	3.4
137.09641	1.6
149.09718	1.8
151.11266	2.7
159.12059	1.0
161.04547	3.0
163.11140	1.1
167.10774	3.1
171.10257	3.1
177.12825	5.4
179.10745	2.6
191.14412	1.9
193.12215	0.9
195.13879	14.2
197.11862	2.0
205.15912	1.1
207.13834	1.6
209.11774	3.4
211.13373	3.8
223.13353	7.2
226.68781	1.0
233.15419	2.0
235.08102	5.3
235.13335	2.9
239.12767	0.9
245.19066	6.4
247.20523	2.9
253.09282	22.6
254.09492	1.1
255.23337	1.6
256.13141	2.0
263.20145	2.8
267.12369	1.2
271.17084	1.3
273.18622	2.4
275.20151	5.9
277.21741	6.9
278.22198	1.2
279.19574	3.6
287.16455	1.7
289.18069	35.2
290.18344	3.1
291.19653	100.0
292.19986	11.3
293.21225	83.4
293.24103	0.8
293.24860	1.1
294.21503	7.3
305.17435	3.1
307.19141	56.0
308.19406	4.3
309.20795	2.5
382.30624	1.1
439.99188	1.1
525.27216	2.3
527.28412	1.4
543.28113	9.1
544.28375	1.9
764.44501	1.2
819.49146	8.4
820.49872	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	819.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01376	9.7
60.54841	0.4
61.98828	68.0
69.03462	1.1
71.01380	8.1
71.05030	0.4
73.02956	1.6
80.02684	1.1
81.03443	1.3
83.01383	2.4
83.05042	1.2
85.02954	2.0
87.00890	1.5
89.02432	4.8
95.01418	0.5
95.05026	1.0
97.02947	1.8
97.06597	3.9
101.02445	6.1
106.04254	0.6
107.04993	0.5
109.06615	0.8
111.08152	0.8
113.02456	4.0
113.06094	0.5
113.74243	0.4
119.03506	0.9
119.08661	0.7
121.06609	0.8
123.04515	3.2
123.08158	1.3
125.02472	0.7
125.09727	4.7
129.01959	0.5
135.08188	0.8
137.06087	0.8
137.09714	3.2
141.12865	0.8
143.03484	0.6
145.05049	0.6
149.06055	0.5
161.04594	3.1
161.09691	0.9
163.11279	5.9
165.09213	0.6
165.12796	1.5
165.52057	0.4
167.10756	0.9
171.10249	1.8
175.11320	0.5
177.12802	0.9
179.05618	1.3
179.14391	0.9
181.12411	1.1
185.11812	6.9
191.10800	0.6
191.14391	8.4
192.14633	0.6
193.12341	0.8
195.13884	9.7
196.14522	1.4
197.11798	1.5
202.03033	0.5
204.45244	0.5
205.12257	0.8
205.15907	0.7
207.10262	3.4
209.11824	15.4
210.12135	1.0
211.13344	2.9
217.15941	1.1
223.13350	6.4
223.15372	0.7
225.11368	2.0
228.13638	0.6
229.30617	0.6
235.08202	4.3
237.11292	6.9
238.11653	0.5
239.12930	0.6
243.17569	0.5
245.19078	15.7
246.19400	1.6
253.09277	28.4
254.09697	0.9
256.13150	1.5
261.18661	0.6
263.20163	4.8
264.20599	0.5
265.21689	0.9
271.17062	2.6
273.18689	0.6
275.20123	6.1
281.21198	0.8
287.16525	0.6
289.18079	78.7
290.18439	7.8
291.19623	8.0
292.19901	1.0
293.21213	100.0
294.21515	8.7
305.17468	0.5
307.19131	73.3
308.19455	6.7
309.20688	4.3
445.20602	0.6
525.27173	2.1
527.28839	0.6
543.28278	2.9
750.41785	0.6
792.90936	0.5
819.49323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69289	3.0
59.01389	4.5
65.00323	18.2
69.28607	28.0
71.01388	3.5
77.41232	2.9
83.01373	11.3
92.09206	3.4
98.19899	6.6
104.18185	2.8
105.03410	2.9
107.01388	22.1
113.20984	2.9
123.04528	9.7
125.02459	28.1
133.02919	3.7
150.03203	11.7
151.00362	100.0
151.01573	5.1
151.04001	19.0
152.01151	19.3
175.04004	3.5
177.01848	6.0
178.99799	16.2
205.03546	3.6
212.89700	2.8
215.72876	3.3
222.26483	2.8
223.04529	7.9
243.83524	2.7
277.57727	3.5
285.04004	56.3
286.04346	4.0
297.09735	3.6
303.05139	33.4
369.08160	3.4
449.10834	87.5
450.10907	9.1
634.97894	3.6
646.01105	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	819.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01381	2.5
63.02399	3.0
65.00327	4.0
73.38164	0.9
83.01377	4.4
92.30683	0.8
93.03453	0.9
95.01422	1.2
96.21873	0.9
97.02960	1.3
99.19143	1.0
105.72968	0.9
107.01421	6.6
109.02949	1.6
111.00867	1.9
116.36430	0.9
119.92178	0.9
123.00867	2.7
124.01656	8.3
125.02457	11.5
134.03714	2.7
135.04552	3.6
137.02443	8.1
139.00356	1.9
146.68608	1.0
149.02489	1.4
150.03214	1.4
151.00363	20.4
152.01152	54.1
153.01550	3.3
159.04420	1.2
160.45401	0.9
164.01080	1.3
165.01917	3.6
167.03484	1.0
169.01462	1.8
169.06557	1.0
173.06050	2.0
178.99852	64.1
179.90300	1.0
180.00230	3.6
203.07104	1.2
225.05533	2.4
243.06721	1.5
259.06073	14.9
260.06345	1.4
269.04529	41.0
270.04846	2.7
271.05832	1.5
273.01276	1.0
286.04727	5.3
287.05563	12.7
288.05740	1.5
367.11719	2.3
385.12967	5.2
433.11389	100.0
434.11707	13.4
651.55713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01369	1.9
63.02398	2.6
65.00318	4.6
68.99797	0.5
69.29082	4.3
71.01360	0.7
71.54079	0.5
81.03433	1.0
81.24139	0.5
83.01392	3.8
93.03448	0.9
95.01401	1.0
107.01382	6.1
107.05014	0.5
109.02949	0.8
111.00864	1.3
117.03439	1.0
123.00857	2.1
124.01672	7.8
125.02454	9.4
125.27008	0.6
129.05357	0.5
133.02950	0.8
134.02335	0.5
134.03705	1.3
135.04512	2.2
137.02441	3.2
139.00352	2.0
141.01901	0.6
149.02390	0.7
151.00362	21.5
152.01151	48.9
153.01515	2.2
164.01106	1.1
165.01930	2.7
167.03508	1.4
169.01355	1.2
172.05228	0.7
173.06078	1.4
175.07623	1.0
177.01897	0.6
177.05603	1.0
178.99850	58.4
179.03215	1.3
180.00290	2.7
197.06209	0.5
201.05519	1.0
215.07060	1.6
217.08582	0.8
225.05571	1.6
229.08676	1.2
241.04921	0.6
243.06549	1.0
259.06097	15.2
260.06360	0.9
269.04523	42.0
270.04880	3.5
286.04733	4.1
287.05597	11.5
288.05981	1.2
289.07172	1.3
367.11740	3.0
385.12866	2.1
433.11362	100.0
434.11685	13.3
480.65170	0.5
484.94513	0.5
591.71826	0.5
641.37726	0.5
658.47430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.8
59.01378	100.0
60.01695	1.3
65.00317	18.4
71.01377	11.5
71.51938	1.5
73.02939	2.3
73.19592	0.9
76.25808	0.9
79.34393	0.8
83.01388	7.6
85.02934	8.6
87.00880	1.3
89.02432	5.2
94.24036	1.0
95.01380	2.5
101.02444	10.7
107.01383	22.6
107.02122	1.1
108.02209	1.1
108.99300	1.2
109.02975	2.1
111.00883	2.2
113.02459	13.0
119.03499	3.3
119.05008	1.5
121.02978	1.5
123.00861	1.0
123.04521	6.0
124.01647	2.1
125.02452	28.0
129.01968	1.9
131.03508	1.9
133.02956	1.8
135.04520	2.4
137.02425	1.7
139.00345	1.0
143.03471	2.0
149.02403	2.3
149.04543	3.3
150.03230	11.8
151.00365	90.7
151.03972	15.3
151.05107	1.4
152.01158	15.8
153.01900	2.6
158.61137	1.0
161.02406	1.1
161.04543	8.0
169.01451	2.6
175.03989	4.6
176.01157	1.1
177.01936	4.8
178.99857	15.7
180.00183	1.2
193.05008	1.0
199.03995	3.1
205.03545	1.1
216.04185	0.8
217.05090	2.6
221.06708	1.8
223.04599	4.0
241.05037	2.5
257.04572	1.2
259.06119	0.9
275.05707	1.2
281.37576	0.9
285.04041	51.7
286.04431	4.1
297.09775	2.6
299.05344	0.9
302.04346	2.6
303.05087	33.0
304.05466	2.6
314.39728	0.9
323.07681	1.9
325.12872	2.1
369.07965	1.3
431.09967	1.3
449.10852	58.6
450.11160	9.4
469.70694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
59.01377	31.0
63.02407	1.2
65.00323	17.6
69.03445	0.7
69.28477	1.1
69.28880	3.6
71.01379	8.8
71.89065	0.4
72.99311	0.6
73.02946	13.5
81.03456	0.4
83.01385	12.4
85.02942	1.7
87.00845	0.5
89.02450	2.4
93.03468	0.6
95.01383	1.4
101.02439	11.5
105.03437	0.9
107.01386	23.4
108.01649	0.7
109.02950	1.7
111.00885	0.9
113.02436	4.1
119.03526	0.9
121.02963	0.9
122.03687	0.5
123.00943	0.7
123.04520	7.1
123.69975	0.6
124.01671	2.3
125.02442	24.5
126.02785	0.9
131.03502	1.4
133.02943	1.9
135.04521	1.6
137.02400	1.4
139.00398	0.6
143.03502	1.4
143.05060	0.6
149.02452	2.3
149.04549	2.3
150.03217	12.9
151.00363	100.0
151.03987	18.6
152.01146	15.2
152.04373	0.7
153.01857	2.2
161.02426	0.8
161.04546	3.8
162.04895	0.6
169.01389	1.5
174.03204	1.0
175.03969	4.6
176.01122	1.5
177.01918	4.6
178.99844	18.2
179.16791	0.5
180.00227	0.6
181.01442	0.7
185.06079	0.6
189.05547	1.1
193.05003	0.9
197.06000	0.5
198.03185	0.5
199.03993	2.9
201.01988	0.6
203.05627	0.5
207.64648	0.5
213.05498	0.9
215.03403	0.7
217.05116	2.8
221.06667	1.5
241.05069	3.6
243.02911	0.6
244.69759	0.6
257.04465	1.0
259.06000	1.4
275.05530	1.6
283.60278	0.5
285.04041	54.2
286.04391	5.5
297.09726	2.4
300.02756	0.5
301.03259	0.6
302.04291	2.7
303.05078	29.9
304.05423	2.5
323.07819	2.4
431.09583	0.7
447.08948	0.7
449.10867	70.4
450.11221	9.6
598.14844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08758	1.7
61.98824	4.8
63.96260	2.1
65.35021	1.7
71.01384	10.4
71.49564	2.6
78.95901	26.9
78.98593	9.8
79.95741	23.1
80.96517	100.0
85.02938	3.8
87.00877	2.8
94.98087	20.9
97.99676	1.8
99.92582	18.0
100.92609	2.6
101.02460	2.9
106.98061	4.3
110.98540	6.4
115.92082	2.4
116.92863	2.4
122.97558	8.3
125.02467	4.8
134.97591	7.5
148.99149	7.5
151.01756	2.2
152.98608	7.5
152.99680	2.7
164.98639	13.1
167.01222	3.0
178.88414	1.9
179.37271	1.8
179.89204	5.2
193.90787	6.5
194.91681	2.0
196.89485	10.2
206.99677	2.2
225.00731	21.7
255.23358	7.4
270.70450	1.6
279.23334	2.8
380.00418	1.6
817.39063	10.0
817.51727	80.4
818.38934	3.5
818.52148	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	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98540	0.2
75.20222	0.1
91.33733	0.1
98.20737	0.2
111.09367	0.1
136.42503	0.1
171.10204	0.1
197.11714	0.1
229.13680	0.1
335.12833	0.1
415.02432	0.1
442.48788	0.1
457.06210	0.1
587.90039	0.1
607.67944	0.1
819.40009	0.2
819.54028	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98829	100.0
62.98528	0.3
63.99271	0.3
71.01382	0.3
80.96508	0.3
89.23531	0.1
98.19876	0.5
116.92883	0.2
119.06441	0.1
183.13881	0.7
197.11871	0.3
198.33325	0.1
211.13516	0.1
229.73740	0.2
291.19675	0.2
343.56519	0.1
404.90695	0.2
405.75284	0.2
686.89978	0.1
755.42181	1.2
819.39514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
59.88287	0.1
61.98827	100.0
62.98546	0.2
71.01397	0.1
76.94714	0.1
78.71024	0.1
79.67546	0.1
89.02437	0.2
119.08670	0.3
121.06602	0.1
125.09757	0.1
135.08095	0.3
154.66629	0.1
168.81879	0.1
171.10210	0.6
211.13438	0.2
235.13443	0.1
253.09396	0.5
289.18155	0.8
291.19717	0.2
293.21210	1.9
307.19183	0.6
525.27002	0.1
717.76184	0.1
727.66022	0.1
801.47809	0.2
818.43231	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.71490	0.1
61.98830	100.0
69.42278	0.4
78.95918	0.1
80.07558	0.1
98.20032	0.2
98.20626	0.2
121.06670	0.1
143.47427	0.1
197.11884	0.5
209.11925	0.2
233.49910	0.1
253.09207	0.5
275.20316	0.1
277.21594	0.2
289.18015	0.5
291.19705	1.9
293.21194	0.8
307.19366	0.4
309.20676	0.8
379.85791	0.1
440.49817	0.1
527.28271	0.1
792.06598	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01378	9.5
61.98830	75.0
62.09272	0.5
71.01379	7.3
71.05020	8.5
73.02966	0.8
75.00892	0.6
81.03463	0.7
82.95433	1.8
83.01382	0.7
83.05049	0.8
85.02956	1.8
86.94769	0.5
87.00878	2.2
89.02448	5.0
93.03479	0.8
95.05036	7.1
97.02972	0.7
97.06629	0.7
101.02430	5.8
106.04300	0.9
107.05067	0.8
109.06596	6.8
111.04491	0.6
111.08158	1.7
113.02477	3.3
113.09758	0.8
119.03526	1.0
119.05063	0.6
121.06592	2.0
122.03750	2.9
123.08190	0.9
135.08173	1.7
137.09674	0.7
141.09273	0.6
143.03482	0.8
145.05132	0.6
147.04556	0.7
147.08180	1.8
161.04555	2.5
161.06013	1.1
165.09225	4.2
167.10806	1.5
179.14441	1.5
182.84987	0.7
189.12823	4.6
190.13115	0.5
193.12462	0.6
195.13890	11.8
196.14442	0.6
197.11885	0.7
205.12299	0.7
205.15984	3.5
209.11938	0.7
211.13376	6.2
212.13594	0.6
223.13388	5.9
225.14973	0.7
231.13884	1.4
233.11816	2.5
235.08160	3.3
235.13377	2.1
243.17561	5.3
245.19254	0.8
249.14912	4.0
252.88165	0.8
253.09282	22.7
254.09570	0.8
256.13153	1.2
261.18451	1.0
269.15512	1.4
275.20132	5.5
277.21793	0.9
287.16537	40.3
288.16977	3.5
289.14926	0.3
289.18100	14.4
290.18497	1.2
291.19662	15.4
292.19986	1.8
293.21225	100.0
294.21558	10.8
295.22821	4.6
296.23145	0.8
305.17578	85.8
306.17871	7.8
307.19183	1.6
309.20789	1.0
370.54779	0.6
372.59781	0.5
447.22189	0.9
492.22180	0.9
523.25153	1.8
525.27185	0.8
529.29596	0.6
541.26251	3.6
581.37897	0.7
659.49060	0.7
799.46484	1.6
817.46979	2.8
818.48029	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	816.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
60.99314	0.2
61.98830	100.0
71.01385	0.7
80.96533	1.1
81.88553	0.3
83.01413	0.3
88.98819	1.3
89.02477	0.4
94.98157	0.2
95.05025	0.3
96.96032	0.4
101.02448	0.7
109.02968	0.2
119.05020	0.3
123.04555	0.3
125.02473	0.8
137.02458	0.6
149.04866	0.2
151.02293	0.2
151.03963	0.3
158.04684	0.3
163.04018	0.3
171.10284	0.9
181.12437	0.3
185.11905	0.3
197.11880	0.6
207.10324	0.6
209.11833	0.9
211.13434	0.9
225.11427	0.8
225.49153	0.3
227.12929	0.3
247.13510	0.3
289.07147	0.5
346.22449	0.3
397.13626	0.5
583.84174	0.3
785.39612	0.3
799.37286	0.6
816.50385	1.1
817.39227	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	816.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98830	100.0
62.98528	0.2
62.99256	0.1
68.86505	0.1
71.01378	0.2
79.95760	0.2
80.96532	0.3
83.05012	0.2
87.33927	0.1
93.27289	0.1
100.91498	0.1
101.02459	0.2
116.92878	0.3
136.83638	0.1
152.54863	0.1
197.11827	0.3
209.11823	1.5
210.12175	0.7
227.12857	0.3
253.09431	0.2
291.19806	0.4
309.20740	0.5
310.21042	0.5
311.22104	0.2
364.11502	0.1
568.56305	0.1
611.30121	0.1
660.50623	0.1
816.51349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66476	0.2
59.01382	0.7
61.98829	100.0
63.99256	0.2
66.58419	0.2
71.01384	0.5
71.49729	0.3
72.05051	0.2
72.99293	0.2
75.00888	0.6
78.95898	0.3
79.95756	0.2
80.96513	0.8
85.23431	0.2
87.40848	0.2
94.98106	0.3
101.02477	0.3
116.92918	0.2
141.61324	0.2
181.12349	0.2
185.11864	0.3
195.13850	0.3
197.11868	0.3
200.54788	0.2
200.81398	0.2
209.11795	0.4
211.13435	1.2
212.13832	0.3
223.13277	0.4
253.09273	0.5
287.16617	0.5
289.18143	0.5
289.70166	0.2
291.19690	1.0
293.21225	1.2
294.21603	0.3
295.22940	0.3
305.17639	0.2
307.18945	0.3
311.21866	0.2
371.25620	0.2
405.17825	0.2
816.50403	0.8
817.49835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40162	0.2
58.89478	0.2
59.01369	0.2
61.98827	100.0
71.01375	0.5
71.49400	0.2
78.95915	0.8
80.96527	0.3
82.69023	0.2
94.04401	0.2
96.96974	0.3
99.06604	0.2
105.91392	0.2
171.10155	0.3
204.87721	0.2
209.11681	0.2
241.01144	0.2
247.57471	0.2
255.23280	0.3
256.23853	0.2
260.62762	0.2
287.16690	0.5
291.19577	0.3
293.21100	0.8
305.17761	0.6
421.12814	0.2
429.66025	0.2
798.42120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
59.01383	2.0
59.69665	0.4
61.98830	100.0
62.98533	0.5
65.00330	4.5
67.01887	0.6
71.01389	1.6
71.51717	0.5
78.95921	0.7
80.96522	0.6
81.03468	1.4
82.62194	0.5
83.01402	3.1
83.05035	0.7
85.02960	0.9
87.00890	0.8
88.98830	1.2
89.02461	1.3
91.01914	1.3
93.03499	0.5
96.96008	4.0
96.96972	0.8
97.02942	0.7
99.04519	0.5
101.02444	0.9
107.01392	4.1
107.05057	0.6
109.02982	2.6
110.00090	0.5
112.31158	0.4
114.63403	0.4
121.02985	1.3
123.04530	3.1
124.01650	0.6
125.02448	13.3
126.02780	0.7
133.02975	1.8
134.03726	0.4
135.00914	0.5
135.04538	1.4
137.02443	4.5
146.04630	0.8
149.02458	2.1
150.03220	3.8
151.00368	15.2
151.04034	6.3
152.01062	1.1
153.01947	1.4
158.04619	0.8
161.02496	1.1
163.00417	1.5
163.04044	0.6
163.11292	0.8
164.01138	1.5
165.01962	2.6
165.12827	0.6
167.03490	3.3
169.01390	0.5
171.10326	0.6
173.05997	0.7
174.03242	0.6
175.04001	2.7
175.07684	0.8
177.01974	5.1
178.99843	2.1
179.03474	3.6
179.05795	0.5
183.14029	0.4
187.04132	0.6
187.07664	2.0
189.01921	0.7
189.05646	0.9
189.09215	0.6
193.01552	0.5
193.05070	0.5
199.04063	1.4
201.01993	0.9
203.07187	0.6
207.10355	0.5
209.11824	12.8
211.13422	1.0
217.05119	1.7
219.03014	1.0
225.11343	1.0
227.12929	1.3
241.05046	0.8
259.06281	1.1
275.05582	0.6
285.04080	11.2
286.04611	0.6
289.07242	0.9
303.05109	12.4
304.05579	1.3
311.05902	1.3
329.06778	0.9
367.11993	1.9
368.12753	0.6
379.12909	0.6
397.13593	1.6
449.11057	4.3
450.11475	0.9
456.61145	0.4
503.14017	0.7
533.14929	1.4
550.44263	0.5
587.78833	0.5
647.56866	0.5
653.16589	0.8
671.18024	5.8
672.18445	1.3
679.19977	0.5
799.37653	1.0
817.23596	2.3
817.37207	1.8
818.23883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
58.00593	1.9
59.01372	4.9
59.58297	1.3
61.98828	23.4
65.03561	1.5
71.01386	8.8
73.02927	5.2
74.19212	1.4
78.95901	74.2
79.95722	2.0
80.96529	8.4
83.05013	5.6
85.02971	2.0
88.98804	3.3
89.02446	2.3
89.55170	1.6
94.98058	2.0
95.05005	2.7
96.96963	15.2
98.19852	3.5
101.02428	3.2
115.77433	1.6
122.17624	1.6
125.09777	2.0
127.11295	1.6
137.09781	1.6
152.99564	15.5
155.10786	3.1
161.04584	1.9
163.11285	5.3
171.10274	22.1
181.12355	2.2
183.62062	1.7
185.11815	3.8
187.51109	1.7
197.11853	2.2
199.09766	1.7
207.10304	4.1
209.11818	100.0
210.12152	6.5
215.12820	3.9
223.00117	4.4
225.00659	2.0
225.11313	6.3
227.12976	9.6
229.34753	1.9
241.01180	33.8
253.09277	6.7
255.23300	34.7
256.23517	5.2
259.02173	3.1
277.21689	71.8
278.22028	7.3
291.19626	2.3
391.22171	2.6
445.20853	3.6
579.95245	1.7
725.15448	1.8
725.38635	15.8
726.38855	3.4
772.50531	1.8
779.40118	5.0
797.40833	57.9
798.41022	12.4
815.42499	7.7
815.49805	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	815.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
61.98829	30.4
63.99267	0.8
64.66468	0.6
71.01389	3.2
72.99268	0.8
73.02962	0.6
75.00874	1.7
80.96507	1.4
85.02967	0.7
89.02454	2.3
94.58783	0.6
101.02427	2.7
113.02452	1.4
119.03488	0.7
129.24487	0.6
133.67897	0.6
138.51433	0.6
161.04532	2.1
167.14404	0.6
183.13908	5.5
193.12338	1.7
195.13881	5.7
211.13390	100.0
212.13742	7.1
223.13489	3.9
229.40588	0.7
235.08214	4.5
253.09271	13.2
275.20139	4.5
276.20612	0.7
293.21234	58.5
294.21552	5.5
447.22336	9.8
448.22620	1.0
487.34259	1.0
529.30347	1.9
815.48975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97083	0.9
58.54564	0.8
59.01376	1.5
63.89406	0.9
63.96220	1.8
71.01382	10.3
71.49307	1.7
73.02956	2.0
78.95907	2.3
78.98596	8.0
79.95734	17.4
80.96516	100.0
85.02946	2.9
87.00870	2.7
94.98087	22.9
96.95983	1.6
97.02944	2.4
101.02441	3.7
106.98080	3.7
108.09840	1.0
111.00888	1.6
116.92850	1.9
122.97565	5.3
125.02432	5.1
134.97588	6.1
136.99135	2.3
148.99115	7.0
152.98615	7.7
164.98621	12.8
196.89391	1.4
206.99706	3.4
225.00728	18.3
226.01013	1.0
236.45802	1.0
255.23209	2.2
277.21603	1.4
281.81332	1.0
298.35278	1.0
548.50055	1.0
559.26160	1.4
815.49805	88.2
816.50043	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01372	1.2
62.15770	0.5
63.86268	0.5
63.96242	2.7
68.96940	0.6
69.03476	0.8
71.01389	8.5
71.25497	1.1
73.02940	2.4
74.54240	0.5
78.95927	1.2
78.98589	8.6
79.95736	19.6
80.96517	100.0
81.03476	0.8
83.01371	0.7
85.02947	3.9
87.00865	3.5
94.98090	21.7
96.96040	1.1
97.02940	1.3
99.00883	0.5
100.77653	0.5
101.02432	2.0
106.98085	3.8
122.97583	4.7
125.02443	3.4
127.04008	1.5
134.97572	7.4
136.35344	0.6
136.99138	1.6
148.99136	8.2
152.98631	6.1
157.80449	0.5
163.27661	0.5
164.98630	14.4
167.00168	0.7
188.98665	0.8
206.99681	3.6
225.00729	16.4
253.00392	0.6
255.23268	3.5
277.21719	0.8
503.72598	0.6
537.27051	1.2
559.25720	2.2
560.25464	0.6
757.13446	0.5
815.49841	92.7
816.50177	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	816.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67659	0.1
59.01375	0.2
61.98829	100.0
62.98522	0.2
71.01378	0.4
71.51286	0.1
75.83713	0.1
78.04371	0.1
88.98344	0.1
88.98808	0.6
96.72794	0.1
96.96033	0.2
97.02981	0.2
109.03042	0.2
109.06620	0.1
110.72802	0.1
113.02423	0.2
121.02951	0.1
123.04496	0.1
125.02450	0.6
137.02415	0.3
149.02391	0.1
163.04015	0.2
165.01930	0.2
165.43973	0.1
207.10345	0.3
209.11871	0.8
211.13423	0.2
225.11449	0.2
285.77029	0.1
289.07242	0.3
329.23450	0.2
397.13708	0.2
572.84015	0.1
672.69971	0.2
817.38794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98528	0.2
64.95641	0.1
76.66463	0.1
98.19909	0.3
98.20618	0.5
103.57663	0.1
116.90466	0.1
197.26443	0.1
216.31348	0.1
229.19893	0.1
328.71332	0.1
686.58209	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	814.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98550	0.2
62.99235	0.2
73.07518	0.1
78.95934	0.2
79.18266	0.1
80.86193	0.1
224.13707	0.1
229.27548	0.2
241.01189	0.1
310.73447	0.1
378.71585	0.1
686.41620	0.1
815.40607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98830	100.0
62.98531	0.2
72.99340	0.1
75.00877	0.3
78.91875	0.9
78.95917	0.2
88.98797	0.2
98.19983	0.4
98.20670	0.2
113.22010	0.1
131.08931	0.1
139.06754	0.1
176.79916	0.1
209.11765	0.1
211.13391	0.2
229.36552	0.1
241.01163	0.1
241.55974	0.1
255.23190	0.1
277.21765	0.1
291.19574	0.1
313.66891	0.1
607.24347	0.1
619.10571	0.1
725.39136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.2
61.98828	100.0
62.98517	0.2
63.99260	0.2
70.68109	0.2
70.68439	0.1
71.01415	0.2
75.00857	0.2
80.96533	0.4
83.05088	0.1
88.98800	0.1
89.02381	0.1
101.02409	0.1
109.57957	0.1
116.92860	0.1
117.46190	0.1
122.35796	0.1
169.12370	0.1
191.14455	0.2
199.13426	0.3
209.11829	1.4
210.12199	0.4
211.13475	0.2
215.09947	0.1
225.11266	0.1
227.12921	0.3
235.08418	0.1
253.09322	0.2
289.18201	0.4
290.18408	0.2
291.19583	0.2
293.21216	0.1
307.19321	0.3
308.19415	0.2
309.20752	0.4
366.88049	0.1
451.47156	0.1
479.88577	0.1
745.33917	0.1
815.50140	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	815.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	17.7
59.01372	3.5
59.50426	0.9
67.01880	1.5
68.99824	1.3
69.44254	0.9
69.46101	7.4
69.77832	0.8
71.01373	9.9
72.99288	1.8
73.02952	3.7
75.00863	4.4
83.01384	10.2
83.05070	0.9
84.02167	3.4
85.02950	100.0
86.03310	1.6
87.00887	1.5
100.92465	1.0
101.02443	6.8
111.00878	33.8
111.04504	1.0
112.01249	1.5
113.02451	2.3
119.05033	9.0
125.17545	0.8
128.20018	0.8
129.01939	50.7
129.43661	0.8
130.02260	1.4
131.80981	1.0
143.03444	1.0
145.02959	1.3
147.02945	1.4
159.03003	1.2
161.04587	5.4
163.04044	8.6
187.02464	3.2
205.03523	47.6
206.03918	2.5
220.26089	0.9
223.04585	80.7
224.04913	3.3
231.06915	1.0
255.12059	1.0
369.08231	34.8
370.08456	2.8
384.46906	1.0
414.81238	1.1
422.34921	1.1
445.13516	9.1
475.92148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98534	1.3
61.98829	19.6
71.01391	1.2
78.91882	2.6
78.95905	87.2
79.95718	1.8
80.02661	2.2
80.96510	6.4
81.03448	2.8
83.05024	6.7
84.02155	1.5
95.05012	1.3
96.96002	2.4
96.96961	21.2
96.97590	1.0
98.19887	2.1
106.56842	0.7
134.97481	1.0
135.08203	1.2
148.99170	0.7
152.98395	1.0
152.99597	19.7
163.11273	7.4
165.12807	3.4
181.12234	0.8
191.10728	1.9
196.89525	1.0
209.11819	77.6
210.12154	4.9
223.00078	6.6
225.00812	0.9
227.12930	6.8
229.14545	0.8
241.01187	35.3
242.01524	1.0
253.21674	3.5
255.23291	48.7
256.23581	4.9
259.02170	1.9
264.42560	0.8
274.83066	0.9
297.03809	1.3
315.04813	1.4
341.23273	1.0
391.22415	3.5
395.14804	1.1
553.27869	3.0
573.67273	0.9
709.38300	3.6
781.41376	7.8
782.42004	2.2
813.44012	100.0
814.44403	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	814.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.68777	0.1
62.98536	0.2
70.79944	0.2
75.65562	0.1
85.46847	0.1
89.73566	0.1
94.72058	0.1
150.74911	0.1
184.15199	0.1
223.13461	0.1
302.00583	0.1
372.50171	0.1
514.99719	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	811.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.5
61.98824	1.4
62.44818	1.0
69.03448	3.7
70.24669	3.3
71.01380	3.9
71.05019	1.3
89.02431	4.2
95.05021	1.5
97.02943	3.3
99.19954	1.1
101.02437	3.6
111.08159	3.5
113.02456	2.3
119.03517	1.0
119.08496	1.1
143.50206	0.9
149.09607	1.2
161.04445	1.2
165.12846	2.6
167.10776	3.1
169.12323	1.3
171.10272	2.2
179.05614	1.1
179.10788	1.2
179.14435	2.9
181.12405	1.0
195.13863	11.7
197.11847	16.9
198.12216	1.2
199.13330	1.8
205.12311	9.7
209.11902	1.2
211.13347	3.4
223.13388	100.0
224.13704	8.7
227.12933	1.4
235.08325	4.6
247.20667	1.9
253.09299	14.6
273.53552	1.0
291.19675	17.8
292.20093	1.8
309.20706	49.2
310.21017	4.6
337.62735	0.9
459.22339	15.4
460.22595	1.8
545.29565	1.2
598.20001	1.1
600.35724	1.1
751.42224	3.3
817.63251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98830	100.0
62.98531	0.1
66.87054	0.1
67.35549	0.1
71.01390	0.1
85.71611	0.1
101.02457	0.1
116.92887	0.2
199.13417	0.2
211.13368	0.2
221.11922	0.1
223.13382	0.5
224.13751	0.2
228.97603	0.1
253.09360	0.2
289.18137	0.2
291.19669	0.2
293.21295	0.3
307.19302	0.2
311.22455	0.2
410.62204	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	812.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98520	0.2
71.24612	0.1
73.50101	0.1
75.55239	0.1
117.84070	0.1
151.97081	0.1
184.69148	0.1
223.13437	0.2
229.29938	0.1
245.37762	0.1
375.21085	0.1
407.56305	0.1
670.51068	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	812.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82456	0.1
61.98829	100.0
62.98540	0.2
112.58865	0.1
133.92680	0.1
197.00812	0.1
209.11916	0.2
222.56718	0.1
259.51913	0.1
308.59906	0.1
350.36719	0.1
395.13025	0.1
575.86017	0.1
622.25250	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	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.0
61.13366	1.6
61.98827	26.1
69.03436	1.9
71.01372	5.5
73.02945	1.9
75.70690	1.5
87.00857	1.8
89.02435	2.8
97.02964	10.3
97.06568	2.6
99.00868	10.6
101.02439	5.7
111.08139	2.5
112.98589	2.5
113.02445	2.7
119.03461	1.9
123.04570	2.6
123.08134	2.8
125.02455	1.7
125.09696	4.4
142.02715	2.2
157.44385	1.7
161.04593	1.7
163.11313	9.8
165.12816	2.7
169.12321	2.1
171.10246	5.7
179.10678	2.1
181.12346	20.3
197.11809	14.0
199.13310	4.4
199.73918	1.4
207.10243	46.9
208.10603	4.1
209.11784	6.5
211.13344	4.3
223.09720	3.2
223.13448	2.7
225.11302	100.0
226.11646	6.1
227.12798	4.4
235.08173	4.1
243.12363	14.6
247.20610	1.8
253.09218	10.2
289.17984	3.4
291.19647	30.5
292.20050	3.6
293.21191	6.2
307.18912	2.0
309.17197	3.3
309.20700	59.4
310.21109	7.2
353.92230	1.6
375.12012	1.4
443.18597	1.9
460.98465	1.5
461.14166	1.0
461.20172	27.0
462.20734	2.5
723.87152	2.0
733.59821	1.8
753.40808	39.6
754.41028	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	811.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
61.98827	100.0
69.82494	0.5
71.01359	1.0
73.02961	0.6
75.00854	0.7
83.05035	1.1
85.02969	1.4
87.00862	0.9
88.98829	1.0
89.02461	1.2
96.67710	0.5
101.02431	1.6
110.03723	0.6
111.08141	0.7
115.67679	0.6
149.09773	0.8
171.10266	0.8
195.13870	3.0
195.36574	0.6
205.12457	1.0
211.13405	1.5
211.37695	0.6
221.11794	7.8
222.12166	0.7
223.13358	10.7
223.15327	0.8
224.13818	2.2
239.12883	8.1
240.13287	1.3
253.09267	4.0
275.20142	0.7
291.19650	6.8
293.21173	10.6
293.24323	0.8
294.21613	1.2
309.20682	1.6
315.49551	0.7
359.76828	0.6
363.40027	0.7
378.10568	0.7
459.10001	0.6
459.22891	1.0
475.21851	1.4
751.43134	1.4
786.12299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.3
59.01377	16.2
61.98829	100.0
69.03458	2.4
71.01382	8.7
71.05551	1.9
72.26386	1.6
73.02954	1.5
83.05044	2.0
85.02939	2.2
87.00912	1.8
88.04028	2.9
89.02449	4.6
95.05051	2.7
97.02929	3.8
97.06577	3.8
99.00902	5.3
101.02443	6.3
104.91875	1.5
112.98578	2.0
113.02431	3.7
121.10246	2.8
123.04534	2.7
123.08198	2.5
125.09715	6.9
137.09721	2.9
142.02699	1.8
146.02734	1.5
153.83672	1.8
163.11298	6.6
167.10732	2.1
171.10315	7.8
179.10767	2.5
179.14484	3.0
181.12334	8.0
185.10355	1.7
185.11833	10.4
191.14423	3.0
195.13914	8.1
197.11810	2.7
201.98515	1.6
205.12332	7.8
207.10251	25.0
208.10703	2.7
209.11795	17.1
211.13376	51.2
223.13382	72.8
224.13724	5.4
225.11313	49.4
226.11667	3.5
235.08220	5.3
239.12820	2.1
243.12354	2.8
245.19072	5.2
253.09363	10.2
273.18546	1.7
284.64728	1.7
289.18134	21.4
291.19650	59.2
292.19965	6.7
293.21179	4.2
307.19119	19.3
308.19577	2.2
309.20593	3.3
397.27087	2.0
447.22501	2.6
455.79303	2.2
459.22400	8.7
461.20090	6.8
527.28809	5.2
653.32428	4.9
654.33173	2.3
733.40649	3.8
751.39227	8.7
752.39862	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	811.318
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	1.8
61.98828	9.3
68.17500	0.9
69.25305	7.2
70.54353	0.8
71.01402	0.7
73.02879	0.7
77.52912	0.8
83.04992	0.9
87.00857	1.4
88.98788	10.4
93.03446	3.1
101.24861	0.9
105.01942	1.2
106.49091	0.9
108.02174	1.1
109.02975	1.1
116.92881	2.3
121.02952	5.6
122.03754	13.4
123.00903	0.7
123.04516	1.4
123.15771	0.8
125.02422	3.7
132.02132	1.3
132.03052	0.8
133.02946	1.9
135.04492	0.8
136.01651	2.7
137.02449	6.6
138.25284	0.7
149.02428	20.2
150.03218	91.2
151.03828	5.6
160.01669	2.0
161.02409	1.3
163.03951	1.6
164.04822	4.4
165.01921	27.9
165.05559	81.8
166.02425	1.0
166.05908	3.3
169.01413	1.8
171.10275	1.0
175.03979	1.8
176.04665	0.8
177.05524	1.5
179.03500	6.9
179.07178	2.3
180.04271	23.5
181.04872	0.9
188.70676	0.7
189.05586	1.0
190.06346	2.1
191.07079	1.5
192.04224	0.9
193.04997	1.1
194.05853	2.4
195.06616	100.0
196.07031	5.7
199.97751	0.7
205.08759	1.4
207.06769	1.0
208.07426	1.4
209.11827	2.8
210.05322	3.2
216.50856	0.8
225.07674	25.4
226.08040	1.1
239.07112	1.1
242.09460	2.8
246.08998	0.9
257.11765	2.6
258.08905	1.1
262.08749	0.9
269.04575	1.0
269.08112	1.3
270.08963	5.7
282.08951	2.0
283.06219	0.8
284.06857	2.0
285.08020	1.3
285.11249	9.3
286.08502	2.9
296.07010	1.1
298.08377	4.2
299.09229	6.4
301.10800	2.4
310.08524	1.8
311.09201	2.9
312.09756	1.4
313.07352	1.1
313.10800	2.6
314.07840	8.1
323.09531	1.2
324.10004	1.6
325.10834	4.0
326.07907	3.4
326.11499	2.1
327.08679	1.3
327.12128	1.0
328.09421	2.4
328.13025	1.2
329.10269	21.7
329.14127	1.5
330.10651	2.7
339.12598	0.8
340.13034	1.1
341.10294	24.0
342.10727	2.8
343.11905	3.6
344.12613	31.2
345.13104	5.3
356.12604	9.6
357.13324	1.9
358.14346	1.8
359.14972	73.7
360.15332	7.4
371.14951	48.5
372.15430	4.9
373.12885	11.2
389.16013	4.3
421.15030	4.6
442.46631	0.9
485.39185	0.8
491.66006	0.8
537.21423	2.3
567.22272	16.9
568.22522	3.8
585.23450	1.2
615.24524	6.4
616.24603	1.4
662.83777	0.9
733.28931	1.7
763.29907	3.4
764.29883	1.7
802.37567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
60.99305	1.9
61.98837	8.1
69.30679	6.7
71.01387	1.7
81.03403	0.8
88.98798	6.6
89.02463	0.9
93.03475	1.9
98.19900	1.8
108.32298	0.8
109.02950	1.8
116.92844	2.2
121.02931	5.2
122.03740	8.5
123.00901	1.2
123.04520	2.3
125.02438	5.1
132.02188	2.6
136.01624	0.9
137.02454	5.5
149.02428	20.2
149.06082	1.3
150.03226	55.3
151.03822	3.5
152.87762	0.9
160.01678	3.9
161.02470	2.2
162.03024	0.9
163.04010	1.7
164.04842	5.9
165.01920	23.2
165.05565	53.7
166.05995	3.1
169.01393	2.7
171.10216	1.6
175.03987	1.1
177.05460	0.9
179.03485	6.4
179.07137	2.1
180.04268	17.9
181.04903	2.2
194.05809	2.5
195.06615	74.3
196.07059	4.2
205.04996	2.4
209.11882	2.6
210.05330	1.9
211.03955	1.3
225.05681	1.3
225.07704	13.7
227.07130	0.8
227.12907	1.3
232.93292	0.9
241.05141	1.3
241.08682	1.1
242.09377	3.0
245.08224	2.7
246.08919	1.5
253.05034	0.9
257.11856	2.7
258.08847	1.2
267.06506	2.1
268.07257	1.6
269.08096	3.0
270.08994	10.9
271.09412	1.5
281.71521	0.9
282.08926	1.9
283.09830	1.1
284.06885	3.0
285.07803	1.5
285.11224	11.8
286.08450	3.2
287.08963	1.3
289.07166	5.7
295.09674	1.3
296.06799	1.7
297.07614	1.2
297.15094	0.9
298.08411	5.2
299.09247	10.3
300.09796	1.9
301.10779	3.6
310.08453	1.9
311.09201	5.5
312.09875	1.0
313.07556	2.0
313.10791	5.0
314.07928	11.0
314.11154	1.5
323.09171	2.2
324.09781	2.0
325.10699	5.5
326.07797	3.1
326.11517	2.0
327.08545	2.3
328.09418	3.4
328.13031	1.7
329.10291	33.3
329.14206	1.9
330.10648	3.4
340.13126	1.3
341.06128	1.8
341.10278	37.5
342.10492	4.7
343.11859	9.1
344.12625	46.0
345.13205	7.3
356.12604	13.8
357.13327	3.2
358.14230	2.9
359.14978	100.0
360.15363	11.3
371.14972	65.5
372.15314	10.0
373.12860	36.1
374.13364	3.6
387.14487	2.4
389.16022	1.0
421.15063	16.1
422.15268	1.4
423.22263	1.0
537.21277	1.1
567.22272	12.0
568.22729	1.6
615.24713	5.9
616.24432	1.5
733.28998	2.4
763.30109	4.4
764.30316	1.2
767.49249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01379	2.7
60.99304	1.2
61.98536	0.2
61.98831	4.2
71.01380	2.0
73.02950	0.4
73.05457	0.1
78.95906	0.4
80.96543	0.2
83.01415	0.2
85.02929	0.4
87.00871	0.4
88.00405	0.3
88.98806	7.7
89.02444	4.5
89.03009	0.2
97.02946	0.2
101.02427	2.0
113.02435	1.0
113.09729	1.8
119.03470	0.4
144.27583	0.2
161.04588	1.0
177.12842	0.6
179.05580	0.4
179.14413	0.7
181.12355	0.2
181.73405	0.2
195.13895	12.9
196.14246	0.7
233.22728	0.2
235.08218	0.5
251.23778	0.3
253.09267	14.2
254.09604	0.8
255.23251	0.2
275.19986	0.2
277.21701	12.2
278.22046	1.2
293.21356	0.4
294.21576	0.4
295.22757	100.0
296.23111	10.6
433.64957	0.2
531.31830	0.7
573.45148	2.7
574.46039	0.8
809.43060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.41
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
58.37070	2.3
60.99322	3.1
61.98830	100.0
71.01384	5.7
80.91702	3.9
83.05006	2.9
85.02940	2.7
88.98796	7.1
96.95985	3.4
98.19863	5.1
101.02422	4.2
105.01933	5.1
109.02946	3.7
109.90183	2.2
116.92868	38.0
123.04561	4.6
125.02454	14.7
127.88591	2.4
140.87810	3.1
147.96783	2.4
150.03172	4.3
151.04004	6.3
161.02417	2.6
165.02116	3.5
171.10217	9.0
201.93314	2.9
209.11812	51.5
210.12122	5.2
211.13274	6.0
211.15144	3.1
221.65208	2.9
227.12859	17.5
235.08159	10.7
253.09198	16.1
263.07230	4.0
268.68414	2.4
289.07028	8.3
291.19629	3.0
309.20703	6.1
327.21768	40.9
328.21991	4.4
445.20572	3.1
545.29901	3.9
549.62115	2.8
563.30414	4.2
691.69568	2.9
809.40918	14.9
810.40826	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	809.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.6
59.01374	9.0
61.98827	100.0
64.83888	4.9
71.01387	6.6
71.05435	7.4
71.05769	5.3
78.76616	5.8
83.05003	6.3
96.96021	10.8
99.92572	8.5
101.02535	6.5
109.02947	7.3
116.92860	73.6
117.92886	8.5
118.55490	5.9
118.92662	5.7
123.04592	8.0
124.04800	5.8
125.02467	43.3
151.03995	18.6
161.02509	7.2
171.10283	9.3
197.11797	16.7
201.11319	61.6
209.11826	86.5
210.12187	8.7
211.13356	8.8
225.11259	8.3
227.12900	26.0
231.63657	5.9
235.08185	11.8
245.08096	7.1
253.09308	38.9
289.07077	13.6
291.19733	26.8
309.20648	75.8
310.21155	11.8
437.20135	5.6
444.29303	5.4
445.20593	8.2
526.45679	5.4
527.28204	6.0
545.29773	13.3
656.51563	6.0
729.40259	8.0
809.40314	39.1
810.42596	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	809.433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
58.67786	0.6
59.01378	21.3
61.98825	5.6
69.03445	1.8
69.17910	5.5
71.01377	6.8
71.05006	0.6
73.02943	1.2
75.94089	0.5
78.95892	1.0
81.03450	1.4
83.01389	2.0
83.05022	1.3
85.02932	1.5
85.06561	0.7
87.00880	1.2
89.02437	4.1
93.03430	0.9
95.05045	1.2
97.02936	1.9
97.06604	2.7
101.02451	5.8
109.06568	1.9
111.08192	0.7
113.02435	2.2
117.08421	0.6
119.03465	1.0
123.04520	1.0
123.08116	1.3
124.24850	0.5
125.09756	4.2
128.17741	0.7
137.09700	2.1
148.19241	0.6
149.09709	1.4
151.11282	1.1
153.09366	0.7
161.04558	2.0
161.09695	0.9
163.11278	3.8
165.12880	1.3
167.10774	3.8
177.12869	1.1
179.10785	1.7
179.14401	3.3
181.12312	0.9
185.11795	4.3
187.11179	0.8
191.07756	0.7
191.14407	4.2
195.13918	11.2
196.14279	1.4
203.65312	0.7
205.12306	10.1
207.10207	2.6
209.11838	11.4
210.12192	0.8
211.13353	0.8
223.13391	100.0
224.13742	7.6
225.11263	1.7
235.08095	4.0
237.11319	0.9
245.19058	10.1
246.19325	0.8
253.09282	13.1
263.20120	1.4
271.17059	1.5
289.18094	42.1
290.18475	5.3
293.21198	1.2
307.19147	36.9
308.19611	4.0
327.19855	0.6
397.23834	0.7
415.24631	0.6
441.21280	0.9
445.20380	1.0
459.22247	8.4
460.23032	0.9
495.31311	1.9
507.26587	0.7
513.32233	2.3
525.27332	1.3
543.28186	2.4
595.30988	0.8
633.32861	2.4
634.33344	0.7
651.33331	0.9
731.40283	1.3
746.74896	0.6
749.41498	2.1
812.66846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
57.42849	0.8
59.01379	27.9
61.98818	2.2
64.97321	0.7
69.03443	2.8
69.90415	0.7
71.01373	6.6
71.05000	1.1
73.02929	1.4
80.02692	1.4
81.03452	2.4
83.01378	2.4
83.05031	1.4
85.02934	2.7
87.00861	1.6
88.24397	0.8
89.02436	3.8
93.93262	0.7
95.04997	1.5
97.02942	2.6
97.06583	3.7
98.20652	2.4
101.02441	6.4
109.06577	2.2
113.02438	3.4
119.03480	1.1
123.04480	2.2
123.08144	1.1
125.09703	5.1
137.09727	2.2
140.88261	0.8
145.04994	0.8
149.09682	1.2
161.04610	2.1
163.11279	4.5
167.10757	5.6
177.12857	1.4
179.05705	0.8
179.10629	1.4
179.14392	2.5
179.42682	0.9
181.12424	0.9
185.11858	6.0
191.14418	4.3
192.94867	0.9
195.13902	10.7
196.14157	1.5
205.12306	11.0
207.10252	3.7
209.11815	15.3
210.12096	1.2
211.13446	1.3
223.13383	100.0
224.13731	9.4
225.11276	2.5
235.08142	4.6
237.11348	1.9
245.19095	10.7
246.19656	1.0
253.09283	13.2
263.20163	2.9
289.18079	53.4
290.18411	4.9
307.19156	52.3
308.19461	6.1
397.23904	0.8
400.38354	0.9
403.65298	0.9
415.24625	2.0
459.22278	7.2
495.31073	2.7
513.32184	2.4
525.26764	1.4
531.32318	1.3
543.27679	1.6
633.32782	8.0
634.32343	1.5
651.33105	1.8
655.84967	0.9
713.39417	2.4
731.39880	1.4
749.40955	2.6
750.41284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	7.1
63.66510	0.5
65.59219	0.5
70.47387	1.3
71.01385	0.8
87.00912	0.6
88.98811	1.2
90.14977	0.5
93.03450	5.1
95.01381	0.9
95.05039	0.9
96.96040	1.0
104.82491	0.5
107.05037	0.5
108.02185	1.2
109.02981	2.0
116.92857	5.1
117.92883	1.0
121.02953	7.2
122.03744	18.7
123.00884	0.9
123.04521	1.6
124.01641	0.7
125.02451	1.9
132.02142	0.6
133.02992	2.1
134.03760	2.7
135.04510	1.2
136.01657	6.0
137.02437	5.3
138.03214	0.6
139.03963	0.7
145.02921	1.3
146.03722	1.7
147.04515	1.2
149.02438	30.0
149.06038	3.1
150.03224	100.0
151.00394	2.4
151.04019	19.5
152.01189	0.9
152.04774	1.2
159.04524	0.5
161.02423	1.0
161.06104	1.2
162.03232	1.7
164.04779	5.6
165.05568	88.9
166.02707	6.3
166.05881	3.8
167.03423	1.5
171.10417	0.6
173.02411	0.6
175.03989	0.7
177.02000	0.6
177.05533	1.7
179.03535	1.2
179.07133	9.1
180.04294	6.0
181.05063	7.3
183.13925	4.1
187.04031	0.8
193.05016	1.7
195.06621	48.6
196.06926	2.1
205.05022	2.3
207.06604	1.0
209.11801	1.4
210.27913	0.5
219.06636	1.5
220.07362	1.4
231.14934	0.5
245.08000	0.6
289.07440	0.6
301.16495	2.1
302.17023	0.8
329.10190	1.1
369.12637	0.6
372.11871	0.6
375.27356	0.7
387.14749	2.6
402.13110	0.6
403.13904	0.7
416.14520	1.0
417.15552	9.2
418.16000	1.3
471.96155	0.5
535.16174	0.8
550.18091	1.0
564.19513	1.7
565.12317	1.0
565.20752	19.6
566.21118	3.4
595.21729	2.6
613.22815	3.6
619.21307	1.4
667.23132	1.0
713.14209	0.7
713.26093	8.9
714.25836	2.0
743.27313	2.9
744.27606	0.9
761.27625	2.2
791.26862	0.8
809.29413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73590	0.2
61.98830	100.0
69.70670	1.6
77.02249	0.3
78.95931	0.6
80.96527	1.1
82.77553	0.3
98.19902	0.5
152.99617	0.4
156.96408	0.3
277.21820	0.5
279.23288	0.9
280.23599	0.4
311.22229	0.4
320.64813	0.3
387.72595	0.3
533.57281	0.3
561.73584	0.3
809.43542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
61.98829	10.5
63.75051	0.4
69.19805	4.8
71.01411	0.5
75.00873	0.5
79.62247	0.6
87.00893	0.7
88.98814	0.9
93.03452	5.1
95.05004	0.5
96.96017	0.9
97.02946	0.5
97.22741	0.4
99.92722	0.6
105.03487	0.7
109.02969	1.6
116.92847	3.3
119.01500	0.4
121.02947	6.2
122.03742	16.6
123.00967	0.5
123.04548	0.9
124.01662	0.7
125.02441	3.0
133.02945	1.8
134.03740	0.7
135.04550	0.9
136.01637	2.9
137.02454	4.2
145.02951	0.8
146.03683	0.8
149.02434	24.0
149.06047	1.2
150.03223	96.6
151.00389	1.9
151.04001	8.7
161.06067	0.9
164.04790	4.6
165.05562	100.0
166.02716	4.2
166.05904	5.3
167.03517	1.1
171.10237	0.4
172.32494	0.5
175.03986	0.6
177.01869	0.7
177.05563	0.7
179.03514	0.7
179.07106	4.7
180.04300	7.5
181.05057	6.2
187.03897	0.5
190.02640	0.5
195.06616	69.3
196.06975	3.7
205.05034	1.6
205.08768	0.5
209.11786	1.4
219.06631	1.5
289.07169	1.3
329.10144	0.5
372.11960	0.5
373.25818	1.7
374.26093	0.6
387.10468	0.5
387.14542	3.7
417.15503	9.1
418.15533	1.0
522.23315	0.5
565.20862	12.5
566.21100	2.0
595.21765	1.3
596.22260	0.6
613.22906	3.8
651.51331	0.5
667.23895	0.8
713.25635	1.0
743.26874	0.6
761.27795	1.2
809.30280	1.3
810.30768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
58.00576	0.4
59.01377	7.1
61.98532	0.3
61.98827	4.7
68.46241	0.2
69.03452	0.6
71.01380	6.0
71.01772	0.4
71.87346	0.2
72.99304	0.3
73.02924	1.1
78.95899	0.3
79.00035	0.2
80.96510	0.5
83.01386	0.7
83.05032	0.4
83.51823	0.2
85.02941	1.6
87.00881	1.3
88.98804	0.4
89.02444	5.7
95.01384	0.5
97.02967	0.5
97.06565	0.5
99.00898	0.3
101.02441	5.8
105.69971	0.2
109.06610	0.2
111.08162	0.4
113.02442	2.6
113.09739	1.8
119.03497	1.3
125.02482	1.1
131.03435	0.3
143.03488	0.9
145.05058	0.2
161.04538	2.9
167.10786	0.3
169.12265	0.4
171.10263	13.8
172.10626	0.6
177.12834	0.7
179.05624	1.0
179.14398	1.5
181.12303	0.6
195.13895	22.7
196.14264	1.8
205.12363	0.6
211.13408	0.7
223.13371	4.6
224.14005	0.3
228.13641	0.5
229.19958	0.2
231.21327	0.4
235.08218	2.1
249.22118	0.2
251.23900	0.3
253.09274	24.8
254.09615	1.6
255.23277	9.0
256.13052	1.1
256.23505	1.0
265.21616	0.5
275.20145	5.1
276.20514	0.3
277.21698	14.2
278.22028	1.4
288.46109	0.2
293.21213	71.6
294.18155	0.3
294.21527	8.5
295.22757	100.0
296.23099	11.4
305.08511	0.4
379.12469	1.3
397.13531	5.6
398.14246	0.2
415.14478	0.8
492.21817	0.3
529.30066	0.7
531.31604	0.6
571.43695	2.8
572.43951	0.6
816.15167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.43
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01379	15.1
115.45609	11.1
171.10292	29.6
209.11847	87.7
211.13428	20.0
227.12868	19.0
229.02599	11.7
253.09331	34.5
291.19635	20.6
293.21243	97.1
360.29971	12.7
368.49088	14.5
490.10217	10.9
807.42542	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.5
61.88870	3.4
61.98828	93.9
63.99238	5.0
68.90493	3.5
71.01372	7.8
75.04544	3.6
78.95898	5.9
82.95428	21.5
101.02446	8.6
171.10292	14.1
183.13887	11.4
195.13908	9.4
197.11845	6.2
211.13379	100.0
212.13651	7.5
223.13451	5.9
227.12982	4.1
235.08206	5.6
253.09280	24.0
255.23291	5.6
277.18011	4.6
279.19601	13.0
291.19669	81.9
292.19937	8.0
293.21225	33.0
295.18918	17.8
309.20624	6.4
324.49255	3.8
447.22427	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	807.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.00611	0.8
59.01378	18.7
60.99298	0.6
61.98829	15.3
62.91376	0.4
68.99557	0.5
69.03464	1.3
71.01378	20.2
72.99310	1.6
73.02942	2.8
75.00883	0.7
78.95912	0.9
80.96513	1.2
81.03490	0.6
82.95375	0.4
83.01387	2.4
85.02946	4.8
87.00874	5.7
88.98802	2.2
89.02440	16.4
91.04036	0.7
95.01398	1.5
97.02943	4.2
98.20611	1.3
99.00877	0.8
99.04510	0.5
99.66969	0.4
101.02441	14.8
102.02786	0.6
109.02943	0.5
111.04523	0.6
113.02444	8.4
113.09707	1.2
114.02753	0.6
114.24604	0.4
115.04012	0.5
119.03490	4.5
121.02900	0.4
124.01665	0.5
125.02437	8.9
125.09749	0.8
126.02766	0.5
127.11304	2.2
131.03482	0.8
133.05072	0.4
139.04048	0.7
143.03490	2.7
161.04564	4.8
167.03490	1.0
171.10263	100.0
172.10587	5.3
179.05585	3.0
179.14398	0.8
195.13901	8.6
196.14285	0.8
199.06119	0.7
217.07158	1.1
219.05258	0.5
221.06673	1.0
223.13396	1.4
235.08221	7.2
245.06598	0.5
253.09268	12.5
254.09676	0.6
255.23273	65.2
256.23605	5.8
259.08121	0.8
263.07764	0.4
265.68863	0.5
269.24841	1.2
275.20126	1.8
277.21722	7.4
278.21948	0.6
287.07840	2.6
293.21222	34.7
294.21576	5.9
295.22763	49.4
296.23129	5.0
305.08643	2.6
322.31473	0.5
323.09714	1.0
361.11243	0.4
379.12445	11.0
380.12686	0.9
397.13498	35.7
398.13809	3.4
415.14536	7.8
416.14743	0.7
492.21964	0.4
551.23254	1.0
569.24567	0.6
570.41644	0.4
571.43640	1.4
635.35895	0.7
746.40143	0.4
807.42773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.8
61.98831	100.0
63.99273	3.0
65.07507	2.7
69.25480	3.2
70.97928	3.8
70.98248	4.9
71.01367	22.0
71.04865	3.2
71.38668	3.0
73.02945	3.2
83.05022	4.3
85.02955	5.7
87.00877	4.9
87.25684	3.1
88.98793	10.8
89.02434	7.1
96.95898	3.2
97.02955	11.3
97.06579	3.1
99.00857	3.7
101.02419	10.2
109.06574	11.2
111.00837	5.2
111.04496	10.2
113.02419	6.0
116.92842	5.1
123.08211	3.9
125.09755	4.8
134.52097	3.8
135.08153	5.2
137.02431	4.0
145.05130	3.5
151.11304	3.5
161.04570	5.9
161.09677	4.9
163.11273	14.3
171.10258	25.5
179.10721	6.4
181.08746	3.0
185.11809	8.2
190.12341	3.6
195.13855	7.3
197.11838	18.8
199.09705	21.2
201.11377	4.9
205.08780	7.3
207.10237	41.4
209.11855	38.7
210.12102	4.9
211.13283	7.6
213.11359	5.0
223.09761	34.2
223.13292	5.6
225.11296	32.5
227.12846	9.2
235.08188	9.6
253.09282	39.3
275.20135	6.0
289.18008	12.1
291.19763	24.1
293.21243	87.5
294.21432	10.2
307.19147	13.4
309.20724	40.3
310.17841	3.8
311.18671	4.4
459.18637	10.1
461.20190	5.9
711.39551	17.2
712.40027	6.8
731.38153	3.5
735.39581	27.3
736.40021	5.1
753.40857	42.5
754.41223	12.8
771.41345	5.2
792.50323	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	805.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
61.98828	54.4
63.99262	0.8
71.01373	2.6
73.02958	0.7
78.95927	0.5
79.13994	0.3
80.96519	0.6
85.02970	0.7
87.00915	0.4
88.85928	0.4
89.02438	2.1
98.19777	0.7
99.92595	0.9
101.02442	2.0
111.08150	0.5
113.02460	1.6
113.09735	0.5
116.92860	4.4
117.01936	0.7
119.03513	0.5
139.73656	0.4
143.03439	0.4
161.04533	1.3
167.10831	0.5
171.10204	0.5
177.12723	0.4
179.14351	0.6
181.12462	0.4
195.13898	7.9
196.14352	0.6
205.12334	1.0
211.13379	1.1
223.13362	5.5
228.13588	0.6
235.08206	0.9
253.09261	17.5
254.09680	0.5
256.13138	1.4
265.21729	0.5
269.35150	0.4
275.20111	5.9
276.20547	0.9
277.17981	0.4
291.19678	0.7
293.21213	100.0
294.21552	9.5
309.20547	0.5
492.22281	0.6
529.30267	0.7
569.42285	0.7
805.40833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01381	3.8
61.06815	0.3
61.98829	28.1
69.03458	0.3
69.42243	0.4
71.01382	3.1
73.02952	0.7
78.95898	0.6
80.96529	0.6
85.02935	0.8
87.00869	1.2
88.98813	0.3
89.02445	1.9
101.02448	2.2
111.08167	1.3
113.02452	1.5
113.09717	5.7
119.03491	0.6
129.03023	0.3
131.98318	0.3
135.11835	0.4
139.11311	0.5
161.04536	0.9
167.10760	1.3
171.10146	0.5
177.12807	0.7
179.05591	0.7
179.10669	0.5
179.14299	0.4
194.46159	0.4
195.13885	6.9
196.14400	0.4
197.11818	0.4
205.15987	0.5
209.11743	0.7
223.13354	2.3
223.16902	0.4
224.13960	0.5
228.13654	0.4
231.21243	0.4
235.08179	2.7
235.17010	1.4
236.17346	0.5
249.22255	0.5
253.09288	11.5
254.09686	0.4
255.23289	1.2
256.13077	0.5
273.18784	0.4
275.20139	5.3
276.20383	0.6
277.21680	3.4
278.22046	0.9
291.19656	12.8
292.20093	1.6
293.21213	100.0
294.21533	10.9
295.22778	12.7
296.23004	1.6
332.76978	0.3
372.08057	0.3
527.28748	0.6
529.29999	1.8
569.42059	0.6
805.41498	0.4
826.77002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01366	3.2
60.42738	0.7
61.29562	0.8
61.98833	1.4
65.00345	0.8
69.03449	1.0
70.28418	2.0
70.28815	1.9
70.30216	0.9
71.01386	7.2
72.99306	1.1
73.02937	1.0
79.01897	2.0
81.03465	1.4
83.01364	4.0
85.02934	3.6
85.42794	0.9
85.94955	0.9
87.00885	1.4
89.02442	1.3
93.03445	1.4
95.01383	3.5
97.02923	1.7
98.61945	1.0
101.02432	2.6
107.01385	6.5
109.02927	3.2
111.00855	4.7
113.02427	3.6
119.04956	1.6
120.02156	2.1
121.02954	4.7
123.00892	16.3
123.04455	1.1
124.01650	1.8
125.02451	38.4
126.02754	1.6
127.00348	2.4
134.03702	1.8
136.98785	2.5
137.02438	17.5
138.03198	1.2
139.00391	9.6
140.01151	5.1
141.01903	1.5
149.02359	2.0
151.00371	13.7
151.03952	2.6
153.01872	1.9
155.03378	1.0
161.02405	1.2
163.00337	3.1
163.99904	1.5
164.01161	19.4
165.01912	7.8
165.05696	0.9
166.02534	1.5
167.03445	1.6
168.00644	9.1
169.01418	42.8
170.01758	1.7
177.01936	4.4
178.02686	1.7
187.04034	1.1
193.05026	4.0
211.04048	1.7
212.04613	1.2
213.05434	1.3
227.03476	2.6
229.04993	1.8
230.05524	1.2
245.04440	2.0
255.02957	2.1
256.03629	4.3
257.04504	6.4
260.06674	1.5
271.06009	3.0
272.03265	2.9
272.06586	2.2
273.03992	5.1
283.02567	5.2
284.03146	2.4
287.05551	6.5
287.08771	1.9
288.06049	2.7
298.04730	6.2
299.05478	4.0
301.03577	2.2
303.08826	1.8
306.07666	1.5
313.05579	100.0
314.05954	6.4
316.05853	3.6
329.06516	1.2
330.07285	2.3
331.08224	32.9
332.08450	3.7
408.07352	1.1
463.10333	1.1
493.13580	2.0
623.43372	1.0
645.14319	3.8
807.19775	34.7
808.19830	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	805.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
57.82082	0.1
59.01377	4.2
60.87140	0.1
61.98816	0.4
71.01379	2.3
71.26395	0.3
72.99348	0.1
73.02939	0.5
84.23016	0.1
85.02960	0.6
87.00867	0.4
89.02444	2.1
95.01383	0.2
95.05022	0.2
97.06606	0.1
101.02437	2.3
111.08149	0.2
113.02447	1.4
113.09725	0.3
119.03486	0.6
121.10180	0.3
125.90101	0.1
129.01938	0.2
133.05099	0.1
141.09218	0.1
143.03487	0.2
151.81866	0.1
161.04550	1.3
167.10802	0.3
171.10237	1.0
177.12875	0.2
179.05591	0.6
179.10667	0.1
179.14375	0.8
193.34930	0.2
195.13899	8.0
196.14491	1.1
197.15123	0.2
205.12308	0.8
205.15973	0.3
209.17256	0.1
211.13335	0.3
223.13383	6.0
224.13760	0.5
225.14850	0.2
228.13646	0.7
231.21152	0.6
235.08131	0.8
239.12996	0.2
253.09270	16.5
254.09689	0.7
256.13074	1.6
265.21741	0.5
275.20139	6.5
276.20477	0.7
293.21210	100.0
294.21539	9.7
492.22137	0.5
529.30200	1.1
569.24408	0.1
569.42273	1.4
570.42517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.7
61.98831	81.9
69.20581	49.8
71.01385	15.6
79.92849	5.1
80.02695	5.6
85.02926	6.6
88.85678	5.5
89.02454	5.1
99.89409	5.0
101.02426	6.4
116.92822	9.2
134.17137	4.9
171.10316	25.1
183.13972	6.1
205.12195	5.8
209.11775	8.8
211.13358	15.1
223.13391	85.2
225.11299	9.2
235.08290	32.7
244.18169	5.6
253.09334	27.1
271.50500	5.6
291.19617	10.1
309.20639	13.7
327.21735	100.0
328.22104	14.3
459.22165	28.7
461.20871	7.0
464.69202	5.4
522.42139	6.4
534.20160	5.8
545.29767	10.3
563.21484	5.3
563.30530	21.7
769.43665	24.7
770.43097	11.1
805.41498	41.9
806.41504	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	805.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00912	1.5
57.03444	3.7
59.01373	13.2
61.98830	56.1
69.03467	2.2
70.51991	3.2
71.01382	16.0
73.02944	2.3
80.02657	1.4
81.03436	2.4
83.01378	2.4
83.05022	5.6
85.02969	8.7
85.06384	1.4
87.00864	3.1
88.98818	2.2
89.02430	10.7
95.01366	1.9
95.05024	2.6
96.96018	25.9
97.02953	1.8
97.06605	2.7
98.95655	1.8
99.92560	1.8
101.02427	8.2
109.06547	2.1
113.02456	4.7
116.92873	9.2
119.03413	3.2
119.04982	2.1
125.02413	2.1
125.09689	2.1
127.11311	1.9
137.02441	3.2
151.11290	1.7
153.08199	1.5
160.10417	1.5
161.04568	5.5
163.11229	4.7
165.12810	2.1
169.12350	15.3
171.10289	34.0
172.10599	1.9
179.05626	3.2
183.13988	2.8
185.11789	3.1
193.12256	2.1
197.11787	5.2
199.13297	2.5
201.11346	16.1
207.10184	3.9
209.11818	100.0
210.12160	7.4
211.13390	13.7
212.13646	1.8
225.11292	6.0
227.12860	16.9
229.14395	5.7
235.08171	13.7
239.12915	1.7
244.50165	1.5
246.08212	1.5
253.09288	25.9
289.07214	1.8
291.19708	4.6
309.20752	8.4
325.20212	2.4
327.21796	59.2
327.25345	3.0
328.22205	8.3
341.23416	11.2
357.26440	21.3
358.26807	3.2
397.13278	1.7
405.21252	4.2
445.20703	2.6
545.29468	5.2
563.30804	4.8
805.43268	2.9
817.87640	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	805.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
59.01361	1.3
61.98827	4.9
65.80831	0.7
69.03451	1.0
69.43248	1.4
69.43654	4.4
71.01369	0.9
78.13852	0.8
80.25163	0.7
81.03455	3.1
82.29948	0.8
83.01373	3.6
85.59014	0.7
88.03996	1.0
93.03455	1.9
95.01360	1.0
95.05010	3.8
96.96002	5.8
97.02952	8.2
99.04440	0.8
108.02168	2.1
109.02950	29.9
110.03258	1.0
121.02939	4.0
123.04532	21.3
123.05383	0.8
125.02448	20.9
126.02827	0.7
131.04579	1.1
132.03061	3.6
133.02881	0.8
135.04535	1.6
135.08168	1.1
136.55342	0.9
137.02434	12.1
138.03215	2.1
139.04001	5.7
145.02899	1.6
146.03711	2.2
146.04718	1.1
147.04523	1.0
149.02417	5.6
150.03181	1.8
151.03998	10.0
159.04494	4.2
160.05301	1.6
161.02419	2.3
161.06065	8.5
162.03148	2.7
163.03951	1.5
164.01215	3.9
165.01929	6.2
167.03477	2.7
174.03200	1.0
175.03979	2.9
175.07617	2.7
177.05521	1.6
179.03496	9.1
179.07115	2.8
185.06047	1.1
187.04047	6.6
188.04793	4.5
191.07152	1.5
199.07631	1.1
199.37840	0.7
202.06308	2.8
203.07138	20.3
204.07527	1.3
205.05057	14.4
217.05116	0.8
217.08745	1.1
219.06621	1.2
221.08194	3.2
223.10652	0.7
227.07115	3.5
230.05836	0.9
231.02934	1.5
244.32385	0.9
245.08176	29.0
246.08437	2.5
246.86327	0.7
247.06027	2.2
271.05957	0.9
280.62781	0.9
289.07175	100.0
290.07532	8.5
299.12915	2.9
343.11841	12.9
344.12262	1.5
361.46811	0.8
369.13181	1.7
387.14471	96.4
388.14764	11.9
805.35925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	46.3
62.64722	15.5
71.01389	18.5
78.95896	51.9
79.95731	33.2
80.96510	80.3
94.98138	25.1
98.19875	34.4
100.64338	17.6
102.89218	17.7
112.83706	15.7
122.97589	66.1
196.89488	42.9
224.31216	16.4
255.23232	100.0
293.21259	31.4
803.50214	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46976	0.1
61.98830	100.0
62.39737	0.1
62.98532	0.3
63.99254	0.4
71.01383	0.3
78.95913	0.2
79.95741	0.1
80.96536	0.3
98.20257	0.7
100.16441	0.1
101.02485	0.1
102.05630	0.1
105.01932	0.2
114.28871	0.1
137.36981	0.1
146.04568	0.1
171.10243	0.2
172.10583	0.1
202.04572	0.1
213.81001	0.1
223.13649	0.1
255.23216	0.1
293.21335	0.2
455.78079	0.1
685.55640	0.1
722.14331	0.1
753.92139	0.1
804.49634	0.1
805.41229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56603	2.8
67.99134	2.7
71.05016	3.2
71.50835	4.5
72.99305	27.0
81.03445	9.2
83.05029	34.5
85.02950	3.9
88.04037	6.7
89.49356	2.7
93.03416	3.3
99.68985	2.4
100.89261	2.3
103.30700	2.8
109.02916	3.4
110.87092	3.2
111.04535	34.8
115.03981	9.3
125.02455	2.9
127.04018	78.3
127.28984	2.5
128.04358	5.2
129.05562	7.8
132.03046	7.1
133.94894	2.6
134.03717	4.1
137.02419	5.1
155.03523	57.1
156.03754	4.2
167.96112	2.8
193.05115	3.7
199.02512	43.4
200.02831	2.8
202.00116	2.8
217.03540	100.0
217.05673	6.4
218.03917	5.6
223.04559	6.5
228.08835	6.4
393.08228	7.6
411.09134	4.8
425.08444	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	803.495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
58.00613	0.2
59.01381	4.0
61.98830	85.0
62.98540	0.4
63.99242	0.4
64.58401	0.2
69.03447	0.5
71.01389	3.4
71.05047	0.3
72.99336	0.3
73.02961	0.6
73.79430	0.2
78.95919	0.7
80.02641	0.3
83.01389	0.4
83.05012	0.4
85.02950	1.3
87.00883	0.8
87.13499	0.2
87.90443	0.2
89.02441	2.6
93.07091	0.5
95.05028	0.5
97.06603	1.3
101.02437	3.4
111.08173	2.1
113.02451	1.7
113.09739	0.4
119.03512	0.6
121.10239	5.7
123.08163	0.6
125.09728	3.8
131.31119	0.3
133.05101	0.2
141.12871	0.8
145.05067	0.3
147.08167	0.9
161.04576	1.7
163.11287	0.3
167.10789	0.7
171.10278	0.9
177.12837	0.8
179.05573	0.5
179.10722	0.4
179.14432	0.5
181.12369	0.2
185.11815	8.4
186.12225	0.5
195.13898	5.9
196.14342	0.5
197.10303	0.2
197.11867	2.6
198.12140	0.2
205.12369	0.6
205.16069	0.3
209.11819	1.5
211.13402	1.3
223.13396	4.0
224.13680	0.4
225.15022	0.5
228.13622	0.5
235.08224	2.8
247.13338	0.3
247.20586	0.9
253.09274	12.3
254.09528	0.6
256.13171	1.0
273.18668	1.1
275.20129	3.7
276.20624	0.5
289.18289	0.3
290.18320	0.2
291.19650	100.0
292.19983	9.8
293.21219	62.3
294.21576	6.5
509.27444	0.6
527.28632	9.3
528.29041	1.3
529.29999	0.6
530.30182	0.2
538.00525	0.2
567.40143	0.5
647.31940	0.3
803.39575	0.9
804.20538	0.3
804.50098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01378	6.5
61.98830	16.6
63.62867	0.2
69.03452	0.5
69.83603	1.3
71.01003	0.4
71.01377	5.3
71.05023	2.5
72.99299	0.4
73.02940	1.0
79.22608	0.2
79.23148	0.2
82.95405	0.3
83.01389	0.6
83.05017	0.7
85.02943	1.2
87.00870	1.1
89.02438	3.9
93.03448	0.4
95.01395	0.4
95.05032	0.6
97.06577	1.3
99.00852	0.6
100.84010	0.3
101.02443	4.2
109.06577	0.7
111.08164	8.0
113.02447	2.4
113.09742	0.6
119.03488	0.9
123.08144	0.2
125.02447	0.3
135.11830	0.3
137.09720	0.6
141.09245	0.4
143.03468	0.3
145.05057	0.3
149.09714	0.6
155.10703	0.3
161.04538	1.8
161.09631	0.3
167.10783	1.7
171.10321	1.3
177.12862	1.8
179.05638	0.6
179.10767	1.7
179.14406	0.9
181.12340	0.6
195.13887	13.0
196.14337	0.9
205.12302	0.9
205.16025	0.6
209.23665	0.3
223.13397	5.2
224.13904	0.6
225.14909	0.3
228.13605	0.7
231.21086	0.3
235.08240	3.0
235.17070	0.3
247.20735	1.9
249.22374	0.3
253.09273	17.7
254.09628	0.8
256.13199	1.2
265.21646	0.4
273.18570	1.2
275.20154	6.6
276.20508	0.7
277.21725	0.7
289.18146	0.3
291.19647	100.0
292.19989	11.1
292.22659	0.2
293.21207	90.8
294.21530	10.1
307.18958	0.4
492.21765	0.5
509.27496	0.7
527.28601	5.7
528.28992	1.1
529.30243	1.0
567.40631	0.9
624.82324	0.3
651.18262	0.3
803.49921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.1
58.00579	1.5
59.01376	15.6
61.98829	53.5
65.44144	0.9
68.99574	1.8
69.03446	2.2
69.14786	1.1
69.15125	10.4
71.01379	14.4
72.99319	1.2
73.02908	2.1
78.95901	1.3
80.91711	0.9
81.03448	1.1
81.90741	1.0
83.01364	1.8
83.05037	3.9
85.02945	3.6
87.00869	4.0
87.43645	0.8
88.98802	1.7
89.02438	10.3
95.01385	1.4
95.05027	1.9
96.96023	8.8
97.02970	2.2
97.06585	1.5
99.00893	0.9
101.02438	9.8
112.98582	2.2
113.02425	6.7
116.92857	2.0
119.03464	1.8
119.11741	1.0
123.00798	1.0
123.04559	1.3
125.02442	6.3
125.09731	2.6
127.07665	1.1
143.03540	1.5
151.03973	1.2
153.09250	3.5
161.04568	2.0
163.03952	1.4
163.11272	2.8
165.12915	1.5
167.14362	1.1
169.12323	4.9
171.10266	12.7
179.05498	2.0
181.12311	1.7
183.13898	9.4
185.11800	1.5
191.10783	1.8
193.12331	3.4
197.11864	1.9
198.12265	1.4
199.13385	1.3
201.11322	2.3
207.10225	4.6
209.11809	46.3
210.12164	2.7
211.13376	100.0
212.13704	7.1
225.11266	5.4
225.14832	1.4
227.12862	5.3
235.08228	5.2
243.12338	1.7
253.09280	6.0
289.07065	1.4
289.17999	4.1
307.19128	12.3
308.19510	1.2
325.20148	9.3
341.23340	4.1
379.12582	4.6
397.13449	21.0
398.13986	2.0
415.14621	5.3
525.27136	1.3
543.28003	3.6
591.26538	3.3
609.27515	5.5
695.40070	1.1
735.39459	1.4
753.40796	1.4
785.39722	2.6
803.44159	7.2
804.45087	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	803.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
58.00603	0.3
59.01376	5.5
59.87893	0.2
61.98828	16.2
69.03475	0.4
71.01376	4.3
71.05025	1.7
73.02946	0.7
78.95879	0.3
80.02679	0.5
80.96506	0.3
81.03452	0.7
83.01382	0.5
83.05010	0.9
85.02945	0.8
87.00870	0.5
88.16833	0.2
89.02434	2.8
91.04032	0.3
91.10831	0.2
95.01405	0.3
95.05005	0.9
97.03039	0.2
97.06600	0.3
98.03731	0.4
98.19891	0.7
101.02429	3.4
106.04218	0.6
107.05016	0.3
109.06586	7.5
110.06903	0.4
110.73748	0.3
110.74516	0.3
111.04507	2.4
111.08144	1.1
112.05320	0.3
113.02432	1.6
116.92793	0.2
119.03474	0.5
123.08146	0.9
125.02437	0.2
125.09742	0.3
127.07633	1.0
131.03531	0.3
133.06671	0.2
135.08134	0.5
135.11777	0.3
137.06076	0.3
137.09703	0.8
138.19629	0.3
143.03477	0.4
143.10759	1.1
145.06592	1.6
149.09703	0.6
151.11290	0.5
161.04541	1.3
163.11214	0.4
167.10701	1.3
177.12817	0.5
179.05614	0.9
179.10738	0.7
181.12305	0.5
191.14397	0.5
195.13870	2.7
216.15230	0.3
217.15807	0.2
219.42929	0.3
227.18092	0.2
235.08257	1.5
235.13408	0.6
245.19089	4.2
246.19402	0.4
249.15010	0.4
251.16360	0.4
253.09264	9.4
254.09514	0.3
263.20163	0.3
271.16977	1.2
273.14816	0.3
275.20026	0.5
277.21701	60.6
278.22043	6.1
287.16504	1.6
289.18076	100.0
290.18436	10.6
291.19598	1.4
293.21198	0.8
307.19144	4.6
308.19507	0.5
309.20667	0.3
344.98871	0.3
383.50482	0.3
442.47617	0.2
507.26025	0.4
525.26843	2.8
746.03430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.8
58.00597	0.2
59.01381	5.3
61.20396	0.2
61.98827	5.0
66.65199	0.2
69.03447	0.3
71.01381	4.2
71.05020	1.0
72.99294	0.3
73.02960	0.7
83.05022	0.8
85.02959	0.9
87.00872	0.8
89.02450	3.2
93.03513	0.2
95.05020	0.7
97.06592	0.6
98.20640	0.8
99.00871	0.2
101.02430	3.1
109.06587	0.6
111.08163	8.4
113.02445	2.5
113.09753	0.6
119.03486	0.7
121.10213	0.3
123.08180	0.3
125.02431	0.2
132.74745	0.2
133.05106	0.2
135.11848	0.3
137.09738	0.8
137.20190	0.3
143.03503	0.3
145.05011	0.5
149.09686	0.4
151.11333	0.3
155.10774	0.3
159.11760	0.3
161.04527	1.7
167.10782	1.8
171.10254	0.5
177.12820	1.9
179.05615	0.5
179.10815	1.4
179.14400	0.8
195.13890	12.7
196.14337	1.2
203.14421	0.4
205.12239	0.5
205.15993	0.3
211.13391	0.5
223.13393	4.6
224.13783	0.4
225.14937	0.6
228.13666	0.5
229.47618	0.4
231.21184	0.6
235.08194	3.0
236.08504	0.3
247.20660	2.0
253.09279	18.5
253.54327	0.2
254.09602	1.0
256.13062	1.3
261.67191	0.3
265.21585	0.3
273.18625	1.5
275.20123	6.1
276.20590	0.5
277.21747	0.4
291.19650	100.0
292.19977	10.3
293.21216	88.7
294.21524	8.5
437.20285	0.2
492.22220	0.5
509.27487	0.4
516.24054	0.3
527.28619	6.6
528.28870	1.1
529.30145	1.5
567.40326	0.6
734.42352	0.3
803.50055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01377	9.5
61.98829	100.0
62.98531	1.2
71.01382	54.5
73.02937	2.1
80.96533	2.2
81.03494	1.4
83.01396	1.3
83.05029	2.3
85.02945	1.8
87.00899	2.6
89.02440	5.7
95.05033	1.6
97.02951	5.8
97.06587	2.4
99.00896	6.7
101.02438	5.8
109.06584	11.7
111.08154	2.9
113.02467	2.9
116.92850	5.1
125.02374	1.7
125.09711	3.5
127.11256	1.5
128.90182	2.8
129.01961	1.7
135.08089	1.7
136.05225	1.5
151.11267	1.5
161.04617	1.4
161.09653	1.5
163.11267	11.0
165.12909	2.1
169.12277	2.1
170.21431	1.3
171.10255	16.8
178.21674	1.4
181.12341	8.6
185.11874	2.5
189.09326	1.7
197.11819	13.5
199.09793	1.8
199.13412	11.4
201.11322	4.5
207.10251	36.0
208.10619	2.2
209.11777	11.3
211.13373	12.2
215.12881	2.0
225.11302	35.3
226.11630	3.6
227.12881	2.7
229.25629	2.1
235.08185	3.6
243.12343	5.6
247.20639	1.3
253.09248	12.5
291.19611	15.5
309.20697	21.1
310.21124	2.6
311.21994	1.8
356.25436	1.3
461.20389	6.4
479.21387	3.2
581.26605	1.4
610.28723	1.5
633.30292	1.4
687.32141	9.1
753.40887	5.0
754.41968	2.0
771.41333	4.4
772.40753	2.0
803.42712	7.4
804.44135	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	803.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.5
59.01378	16.7
61.98831	100.0
69.39249	13.3
69.39664	4.6
71.01382	97.8
71.05000	3.6
73.02940	3.5
78.95892	3.9
79.95749	2.3
80.02682	2.5
81.03466	3.8
83.05020	6.7
85.02934	6.0
87.00879	4.5
88.98784	5.3
89.02436	10.1
96.96025	17.1
97.02950	12.0
97.06611	3.5
98.19917	5.8
99.00864	11.4
101.02424	12.1
101.13308	2.6
109.06574	19.2
111.00880	3.2
111.08129	3.5
113.02429	4.4
116.92872	3.9
123.08101	3.0
125.01198	2.3
125.02412	5.0
125.09688	8.3
127.11229	3.4
145.05014	2.7
157.38414	2.4
161.04546	5.5
161.09674	3.8
162.72366	2.4
163.11313	18.5
165.12794	4.4
169.12323	7.6
171.10263	29.3
172.10568	5.2
179.10625	3.7
181.12335	18.0
185.11945	3.1
197.11856	31.6
199.09743	2.8
199.13393	13.9
201.11330	10.2
207.08353	4.8
207.10255	67.3
208.10561	5.9
209.11823	28.3
211.13356	14.0
215.12901	5.8
223.13345	9.9
225.11319	68.9
226.11658	4.5
227.12837	7.2
235.08162	6.0
243.12285	11.4
253.09262	22.1
289.18100	3.3
291.19662	25.7
292.19952	5.7
307.19131	7.9
309.20657	40.4
310.21051	5.5
325.20123	4.2
395.19632	2.7
459.22488	2.9
461.20123	10.5
479.21265	6.2
484.28738	2.8
636.65155	2.9
687.31989	11.4
753.40594	7.1
754.40613	5.9
767.39856	3.3
771.41107	5.1
803.43677	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	803.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.7
59.01380	11.8
61.98829	22.6
68.99566	1.7
69.03450	1.5
71.01383	11.4
71.33695	1.0
72.99304	1.4
73.02948	2.3
75.00856	0.6
78.32230	0.4
78.95885	0.7
83.01394	1.1
83.05039	0.6
84.02137	0.5
85.02946	3.3
85.30283	0.4
87.00875	2.8
88.98814	0.6
89.02444	9.0
95.01412	0.9
96.96010	4.3
96.96972	0.7
97.02948	1.9
97.06602	0.5
99.00874	2.0
101.02443	8.3
105.85752	0.4
109.02991	0.5
111.04495	0.5
112.98553	1.3
113.02454	3.9
116.92850	1.8
119.03484	1.9
119.05025	0.6
121.02996	0.4
125.02442	4.8
125.09753	0.5
131.03493	0.5
134.78021	0.5
137.02460	0.9
139.03989	0.4
143.03477	1.3
148.62321	0.4
151.04018	0.6
161.04523	2.2
163.03897	0.6
163.11313	0.9
167.14378	0.7
171.10263	3.2
179.05588	1.6
181.12349	0.7
183.13889	7.4
193.12354	2.5
197.11824	1.2
199.13400	0.9
201.11334	0.8
207.10258	2.0
209.11794	3.3
211.13394	100.0
212.13721	6.2
221.06747	0.5
225.11343	2.9
225.14839	0.6
227.12877	0.8
235.08243	3.1
243.12341	0.7
253.09409	2.0
287.07834	0.9
289.07065	0.6
305.08902	0.6
323.09857	0.6
325.20374	1.0
341.23248	2.8
342.23981	0.5
355.24960	0.5
379.12363	4.8
397.13501	21.7
398.13705	2.0
406.95114	0.5
415.14508	4.3
450.10385	0.4
591.26300	4.1
592.26794	0.8
609.27600	5.2
610.27728	0.9
655.90900	0.6
785.40527	1.6
803.44348	5.6
804.44366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98832	100.0
62.98530	0.5
63.99249	0.5
71.01385	2.0
75.00893	0.7
78.95911	0.8
79.87838	0.4
80.96517	0.4
81.03445	0.4
88.52596	0.4
89.02457	0.5
97.02931	0.5
100.70683	0.4
101.02471	0.5
122.70914	0.4
123.04470	0.5
123.25500	0.4
125.02457	0.9
125.09745	0.7
152.88173	0.4
161.04620	0.4
171.10323	0.5
195.13974	0.7
197.11795	0.6
205.12323	0.7
207.10236	0.6
209.11874	1.7
211.13434	1.1
223.13397	10.1
224.13763	0.8
227.12978	0.5
235.08226	0.6
239.12885	1.1
245.19173	0.7
253.09268	1.9
289.18161	2.9
290.18832	0.6
291.19727	0.8
293.21155	0.8
307.19092	3.5
308.19516	0.5
309.20654	0.4
323.26102	0.5
459.22870	0.8
475.69540	0.4
803.39813	0.6
805.28827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98532	0.2
70.98373	0.2
71.01388	0.1
74.27126	0.1
74.41245	0.1
78.84030	0.1
78.95901	0.1
147.78036	0.1
157.03589	0.1
178.87584	0.1
207.10220	0.1
209.11873	0.1
211.13351	0.1
264.50418	0.1
293.21133	0.1
399.04855	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98830	100.0
98.19865	0.4
99.57839	0.1
105.24156	0.1
112.52839	0.2
138.40417	0.1
148.06346	0.2
149.20058	0.1
150.81551	0.2
155.42915	0.1
211.13519	0.3
227.79729	0.2
255.23253	0.2
266.40662	0.2
277.21826	0.8
278.22107	0.3
289.18021	0.9
291.19662	0.5
293.21292	0.5
304.04913	0.1
307.19196	0.3
319.78421	0.2
531.14795	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	803.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.8
59.01378	100.0
61.98831	10.9
66.65955	0.9
69.03455	1.6
70.79863	3.3
71.01384	11.8
73.02953	3.8
80.47745	1.1
81.03470	2.7
83.01386	5.6
85.02951	6.3
93.03436	1.3
95.01397	1.6
95.05011	2.3
96.96014	4.7
97.02935	2.1
99.00882	1.9
99.04522	2.6
101.02460	5.9
102.05604	1.0
105.04310	0.9
108.02172	2.9
109.02942	3.4
113.02454	3.4
114.46195	1.0
121.02953	2.4
122.03774	1.9
123.04533	3.2
124.01636	1.1
125.02448	25.2
126.02731	1.1
135.04561	1.4
137.02446	40.0
137.03500	2.0
139.04004	1.8
146.03732	4.4
149.02406	2.0
150.03227	1.4
150.31531	1.1
151.04007	3.0
152.01172	3.0
159.04474	2.4
161.02440	3.4
161.04567	3.5
162.03119	1.0
163.00323	1.5
164.01146	9.5
165.01944	23.3
167.03485	17.5
168.03874	1.2
173.06087	5.4
173.08728	1.0
174.03191	2.9
174.06761	2.4
175.03996	2.5
175.07645	9.1
176.04816	1.8
177.01930	4.5
179.03497	8.7
186.06723	1.2
187.04012	2.1
187.07651	3.3
188.04755	1.8
189.05486	1.5
189.09184	1.4
190.02673	1.4
199.07651	1.1
200.04808	2.4
201.05551	2.0
201.09242	1.5
202.06526	1.1
203.07095	5.3
205.08728	2.4
216.07794	1.0
217.08716	12.1
218.09116	1.3
229.08661	9.1
230.08992	1.1
231.03041	1.4
239.10745	1.4
241.08629	1.1
243.02963	3.1
247.09848	3.3
257.11713	1.2
271.02505	1.9
281.11844	2.9
283.09720	2.3
289.07065	1.6
297.11307	1.6
299.12915	2.3
323.12750	6.9
331.17700	7.9
341.14038	1.9
349.10797	1.6
353.37228	1.1
367.11832	27.3
368.12259	2.3
373.18576	3.8
385.12903	29.0
386.13242	2.5
393.06149	2.4
394.06833	6.0
399.14438	3.2
417.15656	7.1
418.16052	1.4
596.56622	1.0
769.59656	1.1
803.37598	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	802.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.43034	0.1
62.98537	0.3
63.99258	0.4
69.33743	0.1
70.98171	0.2
87.14207	0.1
98.20073	0.1
177.50543	0.1
291.19772	0.4
293.21332	0.2
590.00879	0.1
789.14050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98829	100.0
62.98542	0.2
68.68532	0.1
71.01412	0.2
74.77647	0.1
88.98843	0.2
98.19940	0.4
113.76672	0.1
113.77477	0.1
116.92839	0.8
117.92887	0.2
125.02461	0.2
209.11897	0.2
211.13446	0.2
223.13611	0.2
253.09320	0.2
289.18106	0.2
291.19815	0.2
293.21280	0.3
309.26392	0.1
310.26181	0.1
354.97241	0.2
513.28278	0.1
635.10461	0.2
802.49023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.7
58.08357	1.5
59.01376	44.1
61.98828	100.0
65.03956	3.1
69.03448	5.9
71.01381	46.4
71.51538	3.2
72.99319	3.4
73.02943	5.6
75.00882	2.3
77.22660	1.5
78.91868	2.5
78.95893	2.7
81.03452	3.8
83.01380	5.2
83.05032	6.2
85.02950	11.2
85.06612	1.9
87.27403	1.6
88.98804	1.9
89.02445	32.8
94.98102	1.7
95.01389	4.9
96.96004	5.5
97.02946	6.6
97.06595	3.2
101.02442	25.5
102.05593	1.6
109.02959	3.9
111.00861	2.0
111.08166	4.7
113.02449	17.2
119.03480	7.7
119.05023	2.0
121.02971	2.6
123.04538	3.2
123.08143	3.0
125.02443	17.5
125.09728	15.0
126.90447	3.0
133.06575	2.1
135.08070	2.4
137.02432	5.9
137.09753	2.2
139.03918	2.3
140.79100	1.5
143.03491	2.3
146.04570	4.5
149.02412	1.5
161.02441	2.0
161.04539	4.5
163.03996	2.7
163.11259	1.8
165.01828	1.9
171.10277	36.8
172.10509	1.9
179.05531	8.9
183.13924	2.4
185.11833	3.3
187.14934	1.7
205.16008	2.7
207.13889	2.7
209.11858	15.2
211.13391	15.0
213.14912	3.5
215.14433	8.3
221.06635	5.1
221.15402	2.7
225.11362	1.8
231.13805	4.5
233.15451	46.2
234.15765	4.0
235.08168	3.5
249.14929	17.5
250.15388	2.2
251.16530	3.1
253.09224	1.9
257.17603	2.0
289.07181	5.8
297.00555	1.7
309.41385	1.6
313.25308	1.4
315.90903	1.7
323.23941	1.8
331.26324	3.6
331.50934	1.9
341.24756	5.1
357.24277	1.8
359.25967	1.8
367.22708	1.9
375.25305	3.5
379.12216	4.5
385.23810	19.4
386.24216	3.2
397.13492	17.6
398.13678	1.9
403.24866	33.2
404.25168	5.3
415.14667	2.6
421.25967	15.9
422.26578	2.6
467.03049	1.7
773.39911	3.2
783.38025	94.6
784.38257	22.7
801.39008	65.5
802.39337	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24489	0.2
57.03448	1.3
58.00587	0.3
59.01379	5.5
61.98824	1.6
63.15387	0.2
65.91882	0.2
66.63580	0.2
67.57797	0.2
69.03451	1.1
69.45839	0.2
71.01383	5.7
72.99312	0.4
73.02943	2.9
75.00873	0.2
78.95901	0.8
81.03471	0.2
83.01397	1.1
83.05024	0.4
84.90131	0.2
85.02948	6.3
86.00089	0.3
87.00875	2.6
89.02447	2.6
95.01402	0.5
95.05040	0.3
97.02943	1.4
97.06567	1.0
98.04816	0.2
99.00892	0.7
99.92587	0.4
101.02442	6.6
103.04015	0.5
109.02892	0.2
113.02446	2.9
119.03504	1.4
120.67477	0.2
123.08160	0.2
125.02441	0.5
125.09740	0.5
127.11273	0.8
129.01939	0.3
132.07510	0.2
133.05099	0.9
137.09737	1.3
143.03477	0.7
145.05066	1.8
155.10721	0.9
157.05060	0.5
161.04559	3.1
165.12697	0.2
167.14334	0.2
171.10272	13.6
172.10599	0.6
177.12846	0.4
179.05602	0.5
180.58200	0.2
180.90213	0.2
181.12419	0.2
183.13869	0.7
185.11884	0.4
193.12323	0.6
193.90843	0.2
201.11333	0.6
209.11752	0.5
211.13358	4.8
212.13751	0.4
221.11766	0.9
223.13300	0.2
229.14398	3.8
230.14731	0.3
235.08224	18.6
236.08566	1.2
237.22121	0.4
239.12871	0.7
253.09285	15.3
254.09642	0.8
255.23285	100.0
256.23630	8.7
279.23346	0.4
291.19681	2.7
309.20721	6.1
310.21051	0.4
327.21759	44.2
328.22076	4.2
357.80441	0.2
491.32196	1.7
492.32867	0.3
545.29834	1.7
546.30151	0.3
563.30457	1.0
565.44690	0.6
801.40607	0.4
806.78192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.5
58.00592	2.3
59.01378	54.4
61.98831	100.0
65.03976	1.7
69.03450	5.2
69.25863	4.5
69.26280	9.8
71.01384	47.9
72.99310	2.6
73.02941	7.5
75.00912	2.5
78.91861	1.8
78.95918	2.0
81.03447	4.1
83.01398	8.9
83.05022	10.0
85.02940	12.2
85.06586	2.3
87.00871	11.6
89.02439	36.7
93.03486	1.9
94.98119	1.9
95.01390	4.3
95.05021	3.3
96.96006	7.1
97.02938	9.0
97.06586	5.3
99.00874	3.8
101.02444	35.3
102.05623	1.9
109.02938	2.3
109.06593	2.6
110.46439	1.7
111.08156	6.2
113.02464	14.7
119.03515	6.3
119.05022	3.1
121.02924	4.0
123.04520	2.0
123.08164	4.0
125.02449	13.3
125.09709	15.0
126.90462	2.7
132.60088	1.7
135.08142	2.0
137.02431	4.1
143.03497	4.1
145.06306	1.6
146.04565	5.2
150.03317	1.9
151.11427	1.7
151.48405	1.7
159.04677	1.5
160.59062	1.8
161.04547	5.9
163.04008	1.9
163.11375	2.4
171.10265	47.1
179.05634	11.2
179.10675	1.8
183.13878	3.3
185.11823	3.9
187.09686	2.1
187.15036	1.9
205.16000	5.5
207.13828	2.8
209.11812	14.6
211.13365	18.6
213.14960	3.5
215.14404	9.7
221.06631	6.2
221.15517	3.0
231.13820	4.3
233.15440	46.0
233.17770	3.3
234.15849	2.7
235.08154	6.5
235.13405	2.4
247.16827	1.9
249.14981	26.3
250.15248	2.7
263.07663	2.8
289.07162	4.7
331.26370	4.3
341.25000	5.0
342.08170	1.8
357.24356	1.7
358.29782	1.6
359.25793	2.4
367.22681	4.2
375.25336	3.3
379.12521	4.4
385.23788	23.4
393.26520	2.9
397.13544	25.3
398.13718	3.0
403.24881	39.6
404.25449	7.7
415.14645	5.5
416.21002	2.0
421.26065	20.1
422.26633	2.9
446.54691	1.8
551.24133	1.8
647.29083	2.3
741.34729	1.8
744.39807	1.7
773.39850	3.3
783.38031	89.0
784.38580	24.4
801.39124	74.0
802.39594	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	800.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98522	0.2
65.82167	0.1
70.92636	0.2
84.79927	0.1
91.82029	0.1
111.91092	0.1
133.13708	0.1
205.22200	0.1
214.29091	0.1
243.73360	0.1
254.02443	0.1
277.21820	0.1
289.18314	0.1
291.19843	0.2
293.21222	0.1
443.59854	0.1
471.81152	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.0
61.46624	2.0
61.98827	8.6
71.01385	7.4
71.58715	1.7
78.95900	13.7
98.20733	4.2
99.00878	4.6
99.92583	54.7
100.92611	2.1
115.92078	55.7
116.92863	100.0
117.92878	5.0
127.00368	2.4
141.93604	2.8
152.99529	2.0
156.95970	5.1
168.95978	2.6
179.89128	3.4
183.13863	3.5
189.19792	1.8
196.03502	1.9
196.89528	5.3
211.13329	3.9
243.58922	2.0
253.09326	2.1
255.23296	24.1
256.23807	3.3
279.23322	7.7
297.04419	1.8
303.98828	2.8
310.04996	4.5
316.99716	2.1
318.00314	5.3
327.21954	2.8
367.08411	4.0
367.78183	2.0
497.10956	4.1
515.12115	2.9
555.22919	2.5
765.35382	15.8
766.34863	4.0
801.38501	27.5
802.38971	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	800.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98830	100.0
70.51419	0.2
71.01380	0.4
71.52865	0.3
77.54860	0.2
78.91880	0.2
88.98783	1.0
89.02457	0.2
93.66219	0.2
96.96007	0.6
97.54851	0.2
99.86152	0.2
101.02460	0.2
125.02460	0.7
137.02472	0.5
150.03300	0.2
154.40515	0.2
161.02475	0.2
165.01985	0.4
171.10361	0.3
209.11882	1.3
210.12286	0.3
211.13452	0.3
212.13622	0.2
276.47662	0.2
289.07239	0.3
800.36371	0.4
801.35712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75299	0.1
61.98830	100.0
62.98542	0.2
70.94920	0.3
102.05614	0.2
120.82349	0.1
128.03497	0.2
129.27794	0.2
141.25801	0.2
146.04611	0.5
244.55965	0.2
385.67285	0.1
398.53085	0.2
718.51447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.3
61.98829	100.0
62.98539	0.2
73.72395	0.1
80.02675	0.2
84.92393	0.1
91.06358	0.2
98.19891	0.5
136.88925	0.2
140.42076	0.2
149.02492	0.2
181.49200	0.2
200.13797	0.2
209.11858	0.7
211.13411	1.2
212.13863	0.5
227.12909	0.3
228.13297	0.2
257.55301	0.2
259.64310	0.1
285.52533	0.2
291.19717	0.3
292.20020	0.3
293.21301	0.6
294.21643	0.4
309.20886	0.5
310.21124	0.3
398.54828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.5
59.01380	3.5
59.74200	0.4
61.98827	2.6
69.03439	0.5
70.97669	0.9
71.01388	5.2
73.02952	1.7
75.00885	0.4
78.95882	2.2
79.95705	0.5
80.96512	2.6
81.03420	0.5
82.96095	1.3
83.01391	0.5
83.05025	0.9
85.02946	1.7
85.80121	0.5
87.00859	1.3
89.02448	1.6
95.04996	0.5
97.02856	0.7
99.04503	0.7
101.02448	4.4
109.02881	0.5
113.02453	1.6
115.07671	0.9
119.03445	0.8
125.02484	0.6
125.09701	1.5
127.07623	1.1
134.84419	0.4
135.08102	1.0
145.05087	0.8
152.65927	0.4
153.09207	8.4
153.15363	0.4
154.09593	0.6
155.10698	0.7
161.04535	1.9
163.11247	1.2
170.90584	0.5
171.10249	7.0
178.09976	1.3
185.11894	1.6
189.46451	0.5
191.10782	1.2
191.14517	0.5
194.27722	0.4
197.11839	1.5
209.11821	15.0
211.13347	0.9
235.08235	8.9
236.08504	0.6
236.93098	0.4
237.11264	0.6
238.12100	0.5
245.19063	0.6
253.09236	7.4
255.23283	100.0
256.23624	10.2
289.18057	6.6
297.20911	0.5
307.19150	24.4
308.19409	2.9
309.65503	0.5
325.20193	11.0
326.20596	1.2
455.05002	0.5
491.32373	1.7
525.27039	3.2
543.27783	2.6
544.28546	0.5
712.43909	2.3
781.00610	0.5
781.51343	8.6
782.51599	2.8
799.42841	2.4
799.53851	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	799.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.4
61.98830	16.0
64.31857	0.3
70.97463	0.6
70.97841	0.8
71.01389	2.7
75.25546	0.4
78.19112	0.3
78.95905	3.4
78.98604	0.4
79.95740	1.3
80.96520	4.4
85.02931	0.8
87.00886	0.5
89.02435	1.2
94.98065	1.3
96.95966	0.4
96.97005	0.5
101.02431	2.1
111.31475	0.3
113.02432	1.4
115.84467	0.4
119.03394	0.3
122.40799	0.4
125.10013	0.3
134.97606	0.6
146.04782	0.4
152.99591	0.9
161.04544	1.1
164.98648	0.7
167.14287	0.5
179.05611	0.4
183.12386	0.5
183.13904	5.6
193.12299	1.7
202.16226	0.3
210.34061	0.3
211.13385	100.0
212.13751	6.6
223.13347	0.7
225.00749	1.3
235.08160	1.7
241.01178	1.2
253.09277	5.6
253.21800	0.4
255.23207	1.2
277.21710	50.9
278.22046	4.7
327.21759	0.7
429.21262	1.9
447.16678	0.6
447.22382	9.0
448.22684	1.0
513.31104	0.5
708.43585	0.4
709.38141	1.7
710.38330	0.6
781.41510	2.1
799.40717	5.2
800.41400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.1
61.98829	100.0
70.91705	0.5
70.92019	0.3
71.01397	1.1
75.00809	0.3
77.87164	0.3
78.95901	0.3
85.02950	0.6
89.02470	0.8
97.02961	0.4
97.06584	0.4
101.02462	0.8
101.31843	0.3
111.08143	0.6
113.02468	0.5
113.79194	0.3
125.09759	0.3
137.09795	0.2
161.04614	0.4
163.11259	0.4
165.12868	0.4
169.12303	0.5
171.10310	0.7
181.12415	0.4
183.13937	1.3
185.11906	0.7
193.12387	0.4
195.13960	0.8
197.11852	3.1
199.13351	1.5
207.10243	0.4
209.11816	4.1
210.12228	0.4
211.13382	21.4
212.13698	1.5
223.13495	1.0
225.11409	0.5
225.32298	0.3
227.13020	1.9
235.08186	1.4
253.09319	3.9
254.09879	0.3
259.16504	0.3
275.20184	0.7
291.19650	2.9
292.20108	0.4
293.21207	7.2
294.21671	1.2
309.20703	7.6
309.24200	0.6
310.21167	0.8
346.12637	0.3
445.20920	0.4
447.22519	1.5
448.22391	0.3
500.46716	0.3
545.29700	0.4
557.92706	0.3
710.09460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4218
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01373	1.5
61.98829	100.0
62.98547	1.0
70.98135	1.6
71.01390	4.0
73.02952	1.2
75.00880	2.4
78.95904	45.4
78.98596	1.9
79.95750	5.2
80.96512	28.0
83.05035	2.2
85.03004	1.0
87.00879	1.1
94.98086	5.6
96.96958	9.9
101.02469	1.1
106.98087	0.9
116.92876	1.3
122.97559	0.7
125.02433	1.2
125.09732	1.5
125.78994	0.6
127.11299	2.7
130.76093	0.7
134.97620	1.4
148.99139	2.4
152.98676	1.1
152.99638	9.2
155.10788	1.0
164.98604	3.5
165.09210	1.7
165.12810	1.2
171.10269	1.8
201.11316	31.8
202.11792	1.1
206.99634	0.9
209.11838	23.5
210.12206	2.0
211.13458	1.4
216.03059	0.7
223.00099	3.3
225.00745	8.3
225.11182	0.8
227.12827	2.1
241.01163	21.0
242.01624	0.8
255.23273	20.0
256.23642	1.6
259.02228	1.5
277.21741	1.4
281.24811	0.9
281.94049	0.7
297.03674	0.8
381.13263	0.9
493.38828	0.9
519.49554	0.8
562.50507	0.9
709.37952	5.1
710.38550	1.8
755.39246	1.1
781.40515	10.4
782.40942	2.9
799.42163	76.2
800.42456	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.89179	0.2
61.98830	100.0
63.69994	0.2
70.30092	0.2
71.01385	1.0
71.49716	0.3
78.91903	0.3
78.95915	2.0
78.98599	0.4
79.95737	1.1
80.91703	0.3
80.96514	5.6
82.95408	0.3
85.02962	0.4
94.98074	1.3
96.96975	0.5
101.02414	0.4
106.98069	0.3
134.97610	0.4
148.99132	0.4
152.98575	0.4
152.99628	0.4
164.98622	0.5
171.10320	0.4
209.12019	0.3
211.13379	6.5
214.29454	0.3
225.00758	1.6
235.08214	0.3
241.01262	0.6
253.09328	0.7
253.21820	1.4
254.22192	0.8
255.23444	0.8
274.77454	0.2
277.21710	4.3
279.98840	0.2
343.23837	0.2
429.21423	0.3
447.22470	0.5
492.14771	0.3
517.86615	0.3
634.23187	0.3
709.38403	3.1
778.86151	0.3
780.40466	1.0
781.40118	1.7
798.40552	1.8
799.40942	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	798.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.3
61.98828	100.0
62.98525	0.3
63.99251	0.3
70.35044	0.4
71.01382	0.5
78.95905	1.6
78.98608	0.3
79.95740	0.7
80.96517	3.8
87.00863	0.2
91.96797	0.1
94.98087	0.9
96.96967	0.3
101.02459	0.3
106.98075	0.1
112.73270	0.1
115.26738	0.1
122.97576	0.2
125.09726	0.1
134.97588	0.3
139.18898	0.1
148.99152	0.3
152.98579	0.2
152.99651	0.3
162.94035	0.1
164.98642	0.5
171.10284	0.4
197.11743	0.1
197.93414	0.1
198.78011	0.1
199.09755	0.4
206.99731	0.1
207.10219	0.1
211.13493	0.4
211.72290	0.1
225.00722	1.0
225.11455	0.2
235.08209	0.2
241.01248	0.6
253.21686	1.0
255.23347	0.5
256.23611	0.2
277.21860	0.4
281.24692	0.2
303.57352	0.1
315.33923	0.1
327.21863	0.5
524.44562	0.1
537.27124	0.2
709.38025	1.3
780.39307	0.7
781.40259	1.0
798.40588	1.9
799.41052	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	797.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01374	6.9
61.98829	100.0
62.29873	0.8
69.03453	1.1
70.64071	2.3
71.01370	2.6
73.02949	1.9
75.00890	0.8
78.95889	3.7
80.99863	0.7
85.22196	0.8
89.02438	2.0
96.96980	1.7
101.02413	2.3
112.98488	0.8
113.02454	1.3
113.09752	1.0
116.92863	1.7
120.49412	0.8
121.78461	1.0
152.99579	0.9
167.10759	1.4
179.14381	2.4
195.13873	13.1
205.12329	4.3
223.13397	43.9
224.13751	3.0
235.08153	1.5
241.01193	1.9
241.86142	0.9
253.09354	9.6
255.23331	1.3
277.21643	8.5
278.21988	1.8
294.57642	1.0
295.22781	61.0
296.23135	8.1
346.01013	0.8
459.22357	5.9
501.36099	1.9
737.44244	1.9
797.40985	4.1
798.42297	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	798.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98528	0.3
69.42770	1.1
80.06601	0.1
88.12735	0.1
90.82947	0.1
98.19969	0.2
99.68699	0.1
105.77171	0.2
122.13995	0.2
172.01300	0.1
177.71991	0.2
240.57436	0.1
278.12259	0.1
341.67648	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	798.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98830	100.0
62.98535	0.2
62.99265	0.2
63.99263	0.3
71.01397	0.6
71.18148	0.2
73.02946	0.2
78.95899	1.2
78.98592	0.2
79.95729	0.5
80.96517	2.4
85.02959	0.4
85.34220	0.1
87.00887	0.2
89.02467	0.1
89.94711	0.1
94.98089	0.5
96.96964	0.2
99.00888	0.1
101.02467	0.4
113.02415	0.1
116.92860	0.2
125.02452	0.2
127.04022	0.1
134.97612	0.2
137.09787	0.1
148.99135	0.3
152.98573	0.2
159.99286	0.1
161.04648	0.1
164.98636	0.4
169.92262	0.1
171.10283	0.5
201.92293	0.1
211.13441	0.5
215.12888	0.1
225.00682	0.7
225.11331	0.2
229.14508	0.2
235.08214	0.8
241.01286	0.4
243.12378	0.1
253.09305	1.0
253.21721	4.2
255.23360	0.4
256.23676	0.2
275.34814	0.1
277.21777	0.3
309.20831	0.3
327.21738	2.1
437.82724	0.1
545.30103	0.2
707.85736	0.1
709.37933	0.9
739.76410	0.1
780.39319	0.2
781.40472	0.7
798.40765	1.1
799.41345	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	796.47
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98540	0.2
63.80788	0.1
70.91692	0.3
71.01373	0.2
72.49804	0.1
72.92074	0.1
78.49843	0.1
78.95906	0.3
78.98612	0.2
79.95728	0.3
80.96516	1.5
94.98110	0.4
106.98105	0.1
108.27267	0.1
148.99236	0.1
161.39494	0.1
164.98608	0.3
225.00833	0.4
241.01160	0.1
241.67323	0.1
255.23413	0.2
310.26047	0.1
459.70654	0.1
586.10815	0.1
797.43304	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	797.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95356	1.6
57.03447	1.9
59.01385	11.4
61.98832	20.9
71.01385	3.8
73.83987	1.7
77.17701	1.6
84.45094	2.1
89.02476	2.9
93.79469	1.8
96.95976	1.9
97.02959	4.7
98.19846	3.6
99.00872	11.6
101.02435	5.9
106.29062	1.8
113.02465	2.2
139.23099	1.7
142.02713	2.9
152.30923	1.7
163.11252	6.6
181.12349	13.7
195.13829	10.6
197.11823	2.9
207.10231	31.3
209.11874	4.3
223.13448	9.3
225.11307	74.8
226.11592	4.5
235.08073	2.7
237.34328	2.1
243.12297	8.1
253.09247	10.0
256.13239	2.1
275.20181	6.6
291.19571	6.2
293.21222	100.0
294.21555	13.2
309.20810	2.6
393.39224	2.3
415.24054	2.3
443.19122	2.5
461.20297	17.4
737.41119	40.9
738.40967	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	795.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.1
59.01366	0.2
61.98861	0.1
69.31850	0.2
69.32253	0.6
73.02943	4.4
75.00879	0.2
84.50034	0.1
87.00882	0.2
99.00865	0.7
99.92583	9.5
100.92613	0.5
104.03523	0.2
114.93446	0.5
116.03537	0.1
116.92859	100.0
117.01937	8.8
117.92865	5.7
118.02277	0.1
125.02491	0.2
137.02551	0.1
158.34969	0.1
161.42073	0.1
167.03481	0.1
190.23314	0.1
209.11943	0.1
269.95697	0.1
318.75507	0.1
612.48230	0.1
677.48834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22225	0.8
61.98820	2.7
71.01400	1.0
74.28500	0.9
78.70657	0.9
78.95902	35.1
79.95761	1.2
80.96518	4.9
81.76746	1.0
82.96092	1.2
92.87900	0.9
96.96964	3.6
98.19865	2.2
99.08164	1.2
115.95175	0.9
122.97635	0.8
127.11304	1.2
139.11296	5.1
152.98376	1.9
152.99591	31.6
157.12271	1.2
171.00691	4.9
171.10263	18.6
196.89540	2.7
211.13417	6.3
211.42577	1.2
229.14453	3.6
255.23296	100.0
256.23648	9.7
293.21487	1.2
329.23291	15.1
330.23761	1.8
465.22272	4.8
539.26251	3.5
557.27417	1.4
795.50476	87.8
796.50946	21.2
796.65192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30726	0.1
61.98831	100.0
62.98532	0.2
72.49508	0.1
80.82882	0.1
94.77357	0.1
98.19920	0.4
122.05490	0.1
225.11484	0.1
253.09248	0.1
277.21756	0.2
292.20450	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	795.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
60.99306	17.8
61.98534	0.6
61.98832	8.1
69.30949	0.3
71.01387	1.1
71.51277	0.3
87.00874	2.1
87.07817	0.3
88.00405	1.9
88.98808	100.0
89.02451	4.6
89.99149	1.4
102.28310	0.3
105.01951	0.6
116.92839	0.8
121.02925	0.3
125.02439	1.1
137.02452	0.5
149.02435	0.3
150.03192	1.4
165.01990	0.6
165.05582	0.9
169.01418	0.5
171.10277	0.5
195.06651	0.7
209.11748	2.3
445.21033	0.4
510.95108	0.3
643.28131	0.5
795.35968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
57.82757	0.3
57.91229	0.3
59.01378	3.8
61.98830	3.5
67.01894	0.4
69.03451	1.7
69.40394	2.4
71.01371	3.0
81.03449	1.1
83.01366	1.9
85.02966	1.1
88.04057	0.7
88.98814	0.7
89.02434	2.5
93.03474	0.8
93.08112	0.3
95.01383	1.6
96.96019	0.6
97.02944	2.5
101.02431	1.5
107.01397	1.0
107.05036	0.4
108.02174	1.1
108.50259	0.3
109.02942	4.0
113.02458	1.0
116.92866	0.6
119.03513	0.6
121.02969	2.0
122.03754	2.8
123.00874	1.7
123.04538	1.7
124.01676	3.2
125.02450	59.7
126.02783	1.9
133.02994	0.4
135.04541	1.8
136.01640	0.9
137.02457	7.9
137.03516	0.5
138.03111	0.3
139.00377	0.4
139.04053	1.0
145.02950	2.4
146.03703	0.3
149.02425	2.0
150.03210	1.3
151.00377	0.3
151.04028	3.2
154.02701	0.6
159.04527	1.2
159.55383	0.3
161.02455	0.9
161.04820	0.3
161.06052	1.6
163.04016	1.0
164.01152	2.0
164.04762	0.4
165.01930	12.0
165.05653	0.4
166.02400	0.4
166.99855	1.5
168.00621	0.6
169.01424	100.0
170.01761	3.4
170.09258	0.3
171.10292	0.5
175.03893	0.6
177.05554	0.9
179.03503	1.1
183.04562	0.3
187.03993	1.2
193.01440	2.8
201.05611	1.0
201.11263	0.6
202.06232	0.4
203.07100	1.9
204.04184	0.5
205.05035	3.1
209.05560	0.3
209.11827	2.9
210.12177	0.8
211.04234	0.3
225.05524	0.4
226.06256	0.7
227.12862	0.6
229.05222	0.4
231.02895	0.5
241.05072	0.4
244.07364	0.5
247.06021	0.6
255.02740	0.3
259.06177	0.8
270.05353	1.3
271.05844	0.3
275.05630	0.5
285.04083	0.3
288.06363	0.4
289.07187	0.9
303.05063	1.0
419.22278	1.1
479.23019	2.6
491.22845	3.5
607.26099	0.4
625.26495	7.2
626.26941	2.0
643.27588	24.7
644.27771	4.4
795.28748	11.5
796.29211	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	795.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
57.52138	0.4
58.02787	0.4
59.01382	4.7
61.98834	3.6
67.01911	0.5
68.72438	0.3
68.99812	0.4
69.03470	1.8
69.56964	2.5
71.01387	3.5
73.02971	0.5
79.01880	0.8
81.03464	0.9
82.55746	0.4
83.01390	2.1
83.05064	0.4
85.02946	1.0
88.98817	0.9
89.02451	2.4
89.90026	0.4
91.03265	0.3
93.03441	0.9
95.01402	1.2
97.02961	3.2
98.20628	0.8
101.02471	1.9
104.03535	0.4
107.01413	1.1
108.02173	1.0
109.02935	3.1
111.00927	0.5
113.02396	0.9
119.03598	0.4
121.02966	2.0
122.03734	3.2
123.00893	2.5
123.04532	2.9
124.01678	3.6
125.02449	64.1
126.02808	2.4
135.04553	1.4
136.01628	1.2
137.02452	8.3
138.03096	0.5
139.00345	0.5
139.03970	0.9
145.02969	1.6
146.03716	0.6
148.01543	0.4
149.02458	2.8
150.03217	0.9
151.00401	0.4
151.04034	2.6
154.02733	0.5
154.23705	0.4
159.04527	2.2
161.02391	0.6
161.06096	1.9
162.03099	0.5
163.03992	1.3
163.11234	0.4
164.01122	1.7
165.01935	13.4
165.05600	0.8
166.02351	0.5
166.99869	1.4
168.00574	0.7
169.01425	100.0
170.01740	3.6
171.10214	0.7
177.02011	0.5
177.05620	0.7
179.03532	1.3
183.04526	0.7
187.04004	0.9
193.01454	3.0
199.03941	0.5
201.05544	1.0
201.11345	1.5
203.03519	0.5
203.07187	1.8
204.04149	0.5
205.05046	3.1
209.11815	5.6
210.12186	0.5
225.05493	0.6
226.06383	0.9
227.12967	0.7
231.02979	0.8
241.05144	0.6
243.02954	0.6
244.07480	0.8
247.06091	0.7
253.09229	0.5
259.06006	0.7
267.06589	0.5
269.04590	0.7
270.05328	1.7
271.05875	0.7
275.05493	0.7
288.06375	0.7
299.16473	0.5
303.05136	1.4
373.25989	0.5
419.22220	1.7
479.22977	3.4
491.23068	3.2
492.23172	0.9
519.22211	0.7
538.13745	0.4
586.78326	0.4
590.97388	0.5
625.26447	8.5
626.27051	1.9
643.27576	25.7
644.27924	6.1
685.25073	0.5
795.28595	14.0
796.28900	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	795.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98829	4.0
64.52209	0.4
67.01888	0.5
69.03451	1.6
69.38548	1.1
69.38959	1.8
71.01374	2.8
74.47149	0.3
76.70456	0.4
79.01905	0.6
81.03463	0.9
83.01389	1.3
85.02957	0.7
88.04038	0.4
88.98817	0.6
89.02444	2.5
93.03475	0.7
95.01380	1.2
96.95995	0.6
97.02952	2.8
101.02441	2.0
107.01399	0.9
108.02166	1.3
109.02951	3.8
113.02448	1.0
116.92860	0.6
119.03498	0.6
119.84204	0.4
121.02916	1.8
122.03741	2.7
123.00892	1.9
123.04533	2.9
124.01669	3.0
125.02444	60.5
126.02763	2.3
130.98982	0.4
133.03023	0.4
135.04489	0.8
136.01654	0.7
137.02441	7.9
138.03233	0.7
139.03984	1.1
140.01106	0.4
145.02921	2.3
146.03777	0.5
149.02444	1.7
150.03163	0.7
151.03996	2.4
153.05475	0.5
154.02702	0.8
159.04492	1.5
161.02440	1.2
161.06079	1.2
163.04039	1.3
164.01131	1.7
165.01930	11.1
165.05550	0.8
166.02216	0.4
166.99875	1.7
169.01416	100.0
170.01753	4.4
171.10185	0.6
175.03961	0.5
177.01884	0.6
177.05594	0.8
179.03439	1.3
185.06062	0.8
187.03958	1.3
188.04749	0.7
193.01471	2.7
201.05495	0.6
201.11211	0.7
203.07089	2.1
205.01689	0.6
205.05034	2.8
209.11861	2.5
210.12045	0.5
224.70691	0.4
225.05489	0.6
226.06277	0.9
227.03430	0.4
227.12852	0.7
229.05139	0.4
231.02927	0.7
241.04922	0.5
247.06111	0.9
253.09189	0.4
259.05927	0.5
269.04318	0.6
270.05237	1.1
271.06064	0.4
275.05627	0.5
285.04086	0.5
289.07040	0.7
299.16537	0.5
303.05109	1.0
389.25620	0.5
407.26611	0.4
419.22244	0.7
435.65308	0.4
479.22879	2.5
480.23071	0.6
491.22693	3.3
625.26520	8.2
626.26807	1.8
643.27539	21.2
644.27954	4.8
770.28711	0.4
795.28638	12.4
796.28760	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	795.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.9
59.01366	10.4
61.98826	53.8
62.48583	2.5
69.03458	2.8
69.83199	5.3
69.83593	5.4
71.01374	14.2
83.01360	8.2
85.02934	5.7
87.00861	2.7
88.04026	9.4
88.98785	4.3
89.02430	4.4
89.48454	2.3
93.03434	7.7
95.01366	4.3
96.96043	5.6
97.02943	6.5
99.00871	3.6
101.02428	5.9
104.03542	2.8
107.01368	10.4
107.02068	2.1
108.02181	13.0
109.02976	12.2
111.00867	5.9
113.02399	3.9
113.06062	3.2
121.02910	7.1
122.03703	6.7
123.00889	14.7
123.04538	12.6
124.01677	5.0
125.02445	50.1
134.03635	3.1
135.04462	7.4
136.01617	10.6
137.01451	4.2
137.02443	50.7
139.00369	3.8
139.03964	4.3
140.01135	7.4
141.01944	2.6
149.02374	7.9
150.03165	5.3
151.00337	7.3
151.03998	8.4
152.01158	5.0
159.04468	4.2
161.02431	5.7
161.06042	5.4
163.03983	3.5
163.11290	3.1
164.01099	4.3
165.01930	42.1
166.02480	3.8
167.03470	3.3
168.00623	12.5
169.01422	47.4
171.10204	6.1
175.03973	3.9
179.03456	6.2
185.38721	2.6
187.04016	3.9
201.11293	6.9
203.07033	4.8
205.05008	8.4
209.11818	31.7
210.12131	7.7
211.02469	38.7
227.12820	6.8
244.07532	2.7
247.06007	3.6
271.04547	33.5
289.07230	5.3
311.16376	3.7
348.75012	2.4
373.25800	4.5
419.22202	3.3
442.91302	3.3
491.22632	7.8
535.18231	4.0
547.22052	5.0
589.23212	5.1
601.19958	4.6
643.23816	51.7
644.23889	11.7
751.29730	4.0
795.28503	100.0
796.29083	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	795.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.0
59.01369	3.0
61.98822	9.0
65.17675	1.3
65.56942	1.9
67.84731	1.8
69.03453	3.2
71.01372	3.3
71.52141	2.4
71.59398	1.3
76.94218	1.6
81.03452	6.5
83.01380	13.4
88.98817	2.2
93.03465	6.8
95.01405	2.1
95.05032	5.3
95.47304	2.0
97.02957	9.7
99.04520	4.0
104.61208	1.8
109.02954	12.7
116.16944	1.7
117.75188	1.9
121.02956	7.1
122.03761	2.9
123.04543	6.4
125.02448	59.6
126.02780	2.8
135.04546	4.7
137.02441	100.0
138.02817	1.6
139.04033	3.3
145.02950	3.1
146.03720	13.1
149.02420	4.2
149.06047	1.9
151.03999	9.7
159.04510	7.7
161.02423	2.0
161.06033	2.4
162.03302	3.7
163.00392	2.1
163.03966	3.0
164.01160	23.1
165.01921	62.0
166.02354	3.6
167.03484	39.8
168.03815	2.3
172.05318	4.2
173.06053	17.1
174.03255	7.1
174.06792	6.0
175.03957	4.5
175.07629	21.0
176.04823	5.6
177.01935	8.5
179.03470	22.2
185.05905	1.8
187.04063	5.0
187.07617	5.7
188.04834	2.9
189.09167	4.0
190.02747	4.5
191.03549	2.7
199.07626	2.0
200.04807	6.7
200.08116	2.3
201.05553	4.6
201.09189	6.4
202.06326	2.4
203.07104	14.3
204.04214	2.3
205.04991	3.4
205.08780	5.8
211.03964	3.2
211.07657	3.1
213.09184	2.8
217.08701	28.7
218.09062	3.6
225.05594	3.0
226.06326	2.6
229.08696	22.5
230.09039	2.6
239.07458	2.1
239.10631	3.5
241.08525	1.9
245.08136	7.7
247.09796	5.9
255.10303	2.6
257.11835	2.0
268.07407	4.1
271.06119	5.1
281.11835	6.5
283.09747	3.7
288.06293	2.5
289.07153	47.5
290.07483	5.1
297.11356	2.5
298.11560	2.4
299.12845	7.1
323.12802	21.3
324.13022	2.6
325.10764	2.0
341.10275	1.9
341.13980	3.3
349.11023	4.0
367.11835	70.7
368.12158	7.8
385.12915	73.0
386.13062	10.4
428.54977	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	793.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69233	2.4
61.98831	17.6
71.01386	3.9
71.12565	3.0
71.12915	3.1
74.36057	2.6
77.41295	2.5
78.95900	24.7
80.96545	5.9
101.02447	4.2
114.80970	2.1
119.20812	2.7
152.99559	19.1
171.10303	5.0
183.72548	2.5
209.11827	54.8
210.12083	3.7
211.13423	5.3
227.12883	8.7
229.14494	3.0
235.08154	7.0
253.09218	5.4
255.23294	100.0
256.23669	9.0
264.02750	2.7
283.41376	2.5
327.21860	4.0
329.23331	7.9
344.33871	2.5
491.32080	4.0
557.27252	13.5
791.40698	2.6
793.49213	38.8
794.48956	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	793.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	14.6
63.96235	2.6
71.01385	13.2
71.48710	3.7
78.95905	47.5
78.98610	10.9
79.95735	18.0
80.96514	100.0
85.02975	7.6
87.00920	4.4
92.92835	2.7
94.98090	22.9
96.95980	2.5
96.97003	3.8
97.03005	3.7
106.98128	6.0
122.97596	5.9
134.97603	6.6
136.99174	2.6
139.82780	2.6
148.99191	7.4
152.98566	5.8
152.99657	18.5
164.98630	19.1
166.85455	2.9
171.10280	5.8
184.39429	2.7
206.99719	3.4
209.11916	3.3
221.12016	3.1
225.00688	24.3
241.01331	9.5
255.23337	22.7
256.23645	3.3
279.23257	3.1
281.25098	5.1
291.19772	4.0
293.21411	5.1
391.22479	4.1
445.04904	2.8
537.27826	6.1
793.38464	5.5
793.52075	93.1
794.52338	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	793.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.6
61.98832	20.9
63.71198	1.3
68.99562	2.6
71.01381	11.7
78.95899	2.9
80.96529	1.7
85.02950	2.1
89.02449	4.2
89.78538	1.4
98.20715	4.1
99.00904	2.3
101.02437	6.6
109.06638	2.3
111.08147	5.9
113.02415	3.0
123.08138	1.7
141.93970	1.4
161.04556	3.0
167.10732	3.4
171.10274	6.6
172.75252	1.4
177.12880	1.8
179.10786	2.5
179.14470	2.3
195.13881	14.0
197.11819	1.5
199.09731	5.3
201.11308	6.5
205.12344	8.2
207.10289	5.7
211.13373	1.7
223.13379	87.4
224.13722	5.6
225.11317	6.2
229.51552	1.9
235.08209	8.9
237.15065	2.2
247.20810	1.9
249.06662	1.5
253.09312	13.2
273.18463	2.3
277.18845	3.1
277.21710	37.1
278.22058	4.3
291.19650	100.0
292.19891	9.2
293.21082	2.4
459.22443	9.5
497.32401	1.9
527.28516	10.6
528.28943	2.3
568.45709	2.0
715.41382	2.3
721.41278	2.1
733.41718	2.5
757.43530	2.0
793.50122	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	793.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.9
59.01379	16.0
61.98834	17.4
68.99817	3.9
69.03439	5.4
71.01382	17.0
71.50156	2.7
73.02940	3.7
78.95888	2.4
79.95733	1.7
80.96503	3.6
81.03412	2.2
83.01370	4.7
83.04996	3.8
85.02920	5.7
87.00875	3.7
89.02427	8.4
93.03433	7.0
95.01387	3.2
95.05011	2.3
96.71206	1.7
97.02943	6.7
97.06571	3.7
101.02430	12.2
106.04263	9.8
107.05051	8.8
109.06596	4.3
111.08165	10.3
113.02415	7.3
119.03465	2.9
119.04987	2.3
123.04557	2.1
125.02415	5.1
132.05789	2.3
138.03180	2.3
145.05037	2.1
159.11754	3.1
161.04521	3.5
165.12784	4.4
167.10770	2.1
169.12288	2.6
171.10207	5.9
175.11256	4.0
177.12856	26.8
178.13097	2.0
179.05511	2.7
181.12338	1.8
185.11807	1.8
195.12128	2.8
195.13898	54.1
196.14212	4.2
197.11819	42.0
199.13342	3.3
203.10773	32.0
203.14401	4.2
204.11105	2.2
211.13422	8.9
221.11870	17.7
223.13278	4.0
227.12909	8.2
228.55199	2.2
229.12343	19.9
235.08258	9.6
237.14972	51.2
238.15331	4.0
245.93338	2.2
247.13391	77.9
247.20605	3.4
248.13631	5.5
253.09294	19.3
265.14502	17.6
265.17432	2.5
291.19681	30.5
292.19995	3.2
293.21161	7.2
309.20688	56.8
310.21051	7.0
443.19431	2.2
457.20721	6.6
465.21173	3.5
483.22513	15.1
501.23157	9.0
539.26099	2.3
545.28705	1.8
749.41162	5.3
762.82660	2.1
775.42609	5.5
776.42523	2.5
793.43622	100.0
794.44080	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01360	4.6
61.98829	29.8
69.03458	1.6
70.49738	1.1
71.01375	5.2
71.52769	1.7
73.02932	1.3
79.50100	1.0
83.01389	4.9
85.02946	1.7
87.00861	1.8
88.98761	1.6
89.02433	2.3
91.01872	1.6
93.03455	3.9
95.01372	3.6
95.05000	1.9
96.95976	2.2
97.02941	4.2
101.02429	2.5
102.66105	1.0
107.01353	2.0
108.02179	8.4
109.02955	15.4
110.26213	1.0
111.00880	1.8
113.02464	1.8
116.92837	3.6
117.03456	1.4
119.04991	1.6
121.02931	10.6
122.03745	11.0
123.00856	2.2
123.04530	18.6
124.01630	3.8
125.02441	10.1
129.88235	1.0
133.02904	1.9
135.04489	3.2
136.01614	3.0
137.02443	39.0
138.03220	2.3
139.03957	3.2
145.02936	1.7
146.03699	2.0
149.02420	5.9
150.03159	2.2
151.00340	4.3
151.03957	4.4
152.01167	7.0
153.01936	6.3
154.02742	2.6
159.04462	3.2
161.02408	3.4
161.04784	1.2
161.06027	5.2
163.03946	2.9
164.01141	8.3
165.01929	42.7
165.05600	1.4
166.02550	4.4
167.02165	2.0
167.03493	30.9
168.03824	1.5
169.01376	2.2
171.10255	2.2
173.29059	1.1
175.03983	1.8
177.01909	1.8
177.05536	2.1
179.03505	5.3
181.05003	2.9
185.11772	1.7
187.03899	2.7
189.05386	1.2
194.02129	3.8
195.02956	5.1
201.05562	2.8
202.06303	2.2
203.03503	1.2
203.07117	6.0
205.05072	6.7
209.02730	1.5
209.04543	22.0
209.11757	2.3
210.04857	1.4
211.13441	1.1
215.12872	1.4
231.02705	1.3
244.07423	2.8
247.06125	2.5
255.05049	3.3
269.06595	4.4
288.06357	2.1
289.07037	2.1
345.23123	1.0
419.22177	2.9
587.25012	1.4
625.27490	1.4
641.26056	11.3
642.26294	3.2
643.27606	2.0
663.41974	1.4
749.31750	5.1
793.30627	100.0
794.31067	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81509	3.8
59.01361	6.7
61.98534	4.5
61.98831	58.1
68.43348	3.3
71.01361	7.9
79.95734	5.3
80.96515	26.7
88.98788	5.2
94.98088	6.9
96.95999	3.4
101.02417	7.8
116.92853	10.6
125.02423	7.7
141.01988	4.0
164.98669	5.0
169.12292	5.3
171.10239	7.0
184.37090	4.3
185.11871	20.4
195.13928	5.0
197.11816	5.0
199.13383	24.6
201.11243	7.2
203.14183	4.1
205.62924	3.6
207.10188	6.0
209.11771	19.3
211.13382	3.8
223.13351	10.0
225.00745	5.5
225.11310	9.2
226.11800	5.0
227.12886	51.7
228.78795	4.0
235.08139	8.9
247.13315	5.2
253.09309	22.1
275.20099	6.5
291.19662	9.0
293.21234	100.0
294.21597	9.7
309.20599	13.5
339.79163	3.8
445.20883	4.4
461.20471	7.2
463.21503	9.0
737.41022	7.4
739.42175	12.6
775.39478	9.9
781.79785	4.2
793.39508	9.0
793.53271	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	791.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83419	0.7
59.01373	6.3
61.98832	12.1
68.99546	1.2
70.74676	0.6
70.97260	0.6
71.01377	4.8
71.52061	0.6
73.02900	0.8
78.53323	0.6
78.95882	1.7
85.02942	0.9
87.00874	0.8
89.02446	3.5
96.35443	0.6
101.02439	5.7
107.09850	0.6
112.98508	0.7
113.02431	2.5
119.03472	0.7
122.45167	0.6
131.43303	0.6
152.99576	0.7
155.78058	0.6
161.04538	2.6
171.10313	1.2
179.14435	1.3
186.91840	0.7
195.13889	16.5
196.14389	1.8
205.12331	1.0
209.11818	3.2
211.13368	1.4
217.19566	0.9
223.13350	9.0
228.13713	0.9
235.08238	1.4
253.09267	30.6
254.09599	1.6
255.23363	0.7
256.13092	3.0
261.18613	6.1
262.19012	0.9
275.20215	4.1
277.21771	2.2
279.19632	100.0
280.19955	10.4
293.21213	91.3
294.21564	9.2
304.22351	0.7
433.11865	0.8
492.22061	1.3
515.28607	1.1
555.40613	2.3
708.32458	0.7
791.44830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.9
59.01368	2.3
61.22146	1.6
71.33775	2.1
73.39121	1.6
83.01386	4.0
85.02927	2.7
93.03414	1.9
97.02928	3.6
109.02953	11.2
111.00884	1.7
114.48374	1.6
121.02969	2.3
123.00862	1.9
123.04514	8.6
125.02445	100.0
126.02784	2.6
133.02965	3.8
135.04504	3.6
137.02451	18.6
139.04012	1.9
145.02930	5.6
149.02423	4.9
151.04028	9.7
159.04486	5.3
161.02463	22.4
161.06046	4.5
162.03091	2.9
163.00357	1.6
163.03966	3.1
164.01129	4.8
165.01869	5.7
167.03387	3.0
169.01416	21.0
169.03720	1.5
175.04015	9.8
177.01930	9.5
179.03461	6.1
185.06158	3.2
187.03966	6.1
193.01358	3.8
199.03932	2.2
201.05357	2.0
202.06319	2.9
203.03497	1.9
203.07117	7.2
205.05005	4.7
209.06039	2.0
211.03954	2.3
217.04962	2.6
223.04506	4.4
225.05609	2.5
227.03378	3.0
227.07065	2.6
229.04889	2.9
243.02911	8.5
245.04388	4.7
245.08241	13.5
253.04932	3.4
255.03000	11.0
256.03647	5.8
269.04541	3.2
271.06116	10.7
281.04413	3.3
283.02573	2.0
285.04031	6.8
287.05515	6.8
289.07175	46.8
290.07492	5.1
297.03864	2.1
299.05338	2.3
303.04993	2.5
339.08633	3.3
389.06598	5.1
407.07687	78.7
408.08041	12.1
425.08810	5.9
433.09177	4.4
441.08331	21.3
442.08572	2.2
451.10211	13.0
452.10736	2.7
559.09393	11.4
560.09241	2.0
577.13812	14.4
578.11389	3.1
603.11383	6.4
729.14465	22.9
730.15088	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	791.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07930	3.2
57.69403	3.3
59.01382	6.5
61.98833	66.3
71.01380	13.0
89.02448	3.7
96.96071	3.6
101.02412	4.5
104.31389	4.1
116.92876	11.6
162.94810	3.3
165.12807	3.4
171.10298	16.3
182.25911	4.2
197.11844	9.8
201.11346	10.7
207.10327	4.5
209.11836	100.0
210.12085	7.5
211.13402	5.8
225.11319	5.5
227.12918	27.2
235.08263	11.9
253.09277	21.3
291.19571	11.0
293.21164	17.6
309.20700	54.0
310.21066	6.4
311.22021	6.1
791.39948	38.6
792.40283	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	791.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	39.5
71.01364	7.3
76.12596	2.8
78.95911	19.4
78.98557	8.6
79.95724	15.7
80.96518	73.8
81.96393	2.6
94.98086	18.8
106.98060	4.4
122.97530	4.9
123.10438	2.5
125.02340	2.8
134.97549	6.9
148.99057	7.0
152.98465	4.0
152.99524	19.0
164.26184	2.3
164.98598	14.9
183.13840	3.3
185.11734	3.6
196.89352	4.5
197.11783	4.2
206.99507	3.5
225.00714	21.8
253.21512	4.9
255.23177	16.0
270.56836	2.6
274.94003	3.1
281.24850	3.0
327.21420	5.0
360.20621	3.2
441.02640	3.2
463.20819	3.1
555.25793	15.1
673.05420	3.0
791.42798	100.0
792.43011	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	791.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10461	7.7
61.98831	100.0
63.72605	9.2
74.22301	7.9
75.48181	8.0
78.95914	31.7
98.20647	28.5
121.95432	9.3
127.41312	9.5
129.27660	8.6
132.24403	8.1
152.99600	8.9
185.11765	11.1
199.13321	16.6
211.13376	67.5
227.12874	21.3
253.09338	18.8
275.20068	11.5
291.19583	63.0
292.20132	9.9
293.21112	67.6
401.73065	9.9
447.22211	15.9
723.42651	11.7
791.43878	47.0
792.43921	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	791.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41654	0.8
59.01382	4.9
60.59559	0.9
61.98828	22.7
64.28084	0.9
70.55038	0.9
71.01374	5.8
75.33940	0.9
78.95913	1.4
85.02960	1.0
87.00877	1.3
88.73302	0.8
89.02463	3.9
101.02465	5.1
112.76952	1.1
113.02507	1.8
119.03531	1.6
152.99525	1.5
157.23259	1.2
161.04536	2.3
167.10851	1.1
171.10266	1.2
179.14349	1.5
195.13902	15.5
205.12311	1.3
205.16074	1.4
209.11809	4.0
210.12047	1.1
211.13324	1.3
223.13359	11.4
228.13734	1.9
235.08241	2.2
248.42604	1.1
253.09274	30.8
254.09575	2.4
256.13107	2.8
261.18607	3.7
275.20175	4.3
277.21698	4.2
279.19632	100.0
280.19928	7.9
293.21225	89.6
294.21588	6.9
414.84583	1.0
555.40448	2.2
587.28296	1.1
791.44385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.3
61.46729	1.5
61.98820	9.3
64.71625	1.3
71.01391	7.3
71.05009	1.5
73.02918	2.2
73.63440	1.4
78.95903	50.8
78.98595	7.1
79.57872	1.2
79.95733	9.9
80.96515	60.3
85.02947	2.9
87.00857	2.5
93.97234	1.4
94.98079	13.8
96.95979	1.8
96.96956	5.7
99.03481	1.5
101.02392	2.5
104.08599	1.5
106.98067	3.5
107.76357	1.3
122.97575	5.0
125.02428	3.0
129.09189	3.5
134.97560	5.9
141.09187	2.7
148.99121	7.4
152.99591	47.2
155.10754	2.3
160.99123	1.5
164.98656	9.6
171.00594	4.7
171.10216	5.9
185.11862	14.0
196.89444	2.6
197.11818	16.9
206.99568	3.3
209.11787	5.4
223.13214	3.7
225.00749	14.9
227.03192	1.7
253.21674	7.4
255.02623	3.3
255.23248	29.6
256.23593	2.2
291.19498	5.8
307.19162	2.1
309.20667	5.5
327.21799	10.0
328.22098	1.7
463.20807	4.4
509.16833	2.2
537.24536	4.2
555.17700	2.5
555.25714	38.1
556.26062	5.8
791.44946	100.0
792.45001	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	789.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43910	1.1
57.03434	1.1
58.00579	1.3
59.01373	12.4
61.98534	1.9
61.98828	24.5
69.03445	2.2
71.01380	100.0
71.05006	1.2
72.01697	1.4
72.99316	1.9
73.02940	2.2
78.34145	1.0
78.95911	1.1
79.90742	1.3
81.03451	1.6
83.01365	1.3
83.05055	2.6
85.02944	3.3
87.00867	7.1
88.00403	2.2
88.98784	1.4
89.02413	5.2
96.96016	12.7
97.02952	4.9
97.06567	1.8
98.20639	3.0
99.00864	2.8
101.02442	4.8
109.06590	5.6
111.08159	2.7
113.02422	4.6
113.35003	1.1
116.92828	4.9
119.03458	1.8
125.02443	2.2
125.09694	3.7
127.11257	4.3
135.08113	1.4
137.02386	1.3
137.09724	2.7
146.96573	1.1
155.10809	1.3
161.04559	2.7
163.11240	5.4
165.09143	1.5
165.12830	3.5
169.12277	2.7
171.10263	79.1
172.10606	4.6
172.33293	1.1
179.05594	1.8
181.12328	4.3
183.13867	1.8
185.11794	1.9
193.12329	1.4
197.11823	14.8
198.12158	1.5
199.09764	8.9
199.13342	3.1
200.10034	1.1
201.11317	20.0
202.11597	1.6
207.10239	15.8
208.10687	1.3
209.11810	29.5
210.12094	3.6
211.13383	8.3
215.12863	1.7
216.13174	1.3
225.11327	15.7
227.12894	6.6
229.14343	1.7
235.08134	5.6
243.12253	2.3
247.20578	1.9
253.09262	18.5
254.09526	2.1
273.18393	1.0
289.18079	5.0
290.18317	1.6
291.16650	1.9
291.19672	25.9
292.19931	3.5
293.21164	1.4
307.19092	3.2
309.20703	43.1
310.21124	5.5
327.21655	6.1
343.24661	3.6
346.25482	1.1
461.20319	3.4
753.40509	4.6
754.40344	1.5
771.41010	1.5
789.42700	13.1
790.41583	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	790.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45579	0.1
57.07118	0.1
59.01379	0.3
61.98830	100.0
62.98529	0.1
63.82106	0.1
64.42400	0.1
71.01382	0.3
73.02944	0.1
85.02980	0.1
87.00897	0.2
88.37730	0.1
88.98825	0.1
89.02470	0.1
96.96023	0.7
98.20651	0.3
99.92616	0.1
101.02418	0.1
109.06633	0.1
116.92838	0.9
117.03447	0.1
117.92947	0.1
119.05034	1.2
120.05437	0.1
123.04532	0.1
125.02482	0.2
126.92795	0.1
132.03046	0.2
145.02974	0.4
160.49472	0.1
161.04596	0.1
163.04008	1.0
163.11244	0.1
165.27451	0.1
171.10336	0.6
181.12434	0.2
183.13983	0.3
197.11838	0.2
198.12117	0.2
201.11371	0.3
207.10342	0.2
209.11821	0.7
210.12299	0.2
211.13330	0.6
225.11337	0.5
227.12898	0.1
229.14461	0.1
235.08237	0.2
243.12286	0.1
253.09267	0.2
309.20895	0.1
327.21866	0.2
328.16510	0.1
441.64117	0.1
545.18597	0.4
727.23969	0.8
728.25128	0.1
789.41919	0.6
790.42493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
60.78399	0.2
60.80745	0.1
61.98830	100.0
64.03582	0.1
71.01382	0.8
71.31287	0.2
83.05020	0.2
85.02965	0.2
88.98814	0.2
89.02448	0.3
96.96031	0.6
97.02993	0.2
97.06568	0.3
98.20741	0.3
99.00837	0.2
101.02425	0.2
116.92849	0.9
117.03460	0.4
119.05022	1.8
125.02451	0.3
125.09697	0.2
142.49019	0.1
145.02969	0.7
145.10921	0.2
163.03995	1.5
163.11288	0.2
166.02673	0.2
171.10274	0.9
172.10648	0.3
181.05107	0.2
185.11778	0.3
197.11864	0.2
199.13484	0.3
201.11299	1.1
202.11743	0.3
207.10324	0.3
209.11877	0.9
209.33727	0.2
210.12178	0.4
211.13403	0.6
211.18117	0.2
225.11336	0.5
227.12917	0.2
253.09363	0.5
257.90216	0.2
291.19855	0.3
309.20743	0.3
327.21872	0.6
342.23730	0.2
406.01947	0.2
430.80609	0.2
461.19849	0.2
514.80542	0.2
544.16730	0.2
700.15656	0.2
727.23901	2.2
728.24976	0.6
772.41595	0.3
787.11768	0.2
789.42291	0.8
790.43463	1.0
790.76111	0.2
818.65826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03433	2.5
59.01377	11.0
60.21560	1.2
61.98830	100.0
62.98555	1.4
68.99576	3.3
69.03448	2.2
71.01386	9.7
71.05021	2.9
72.99277	1.3
73.02950	2.3
78.95915	1.3
80.81715	1.3
80.91677	2.6
82.95414	1.7
83.05035	2.5
85.02944	6.4
86.48143	1.0
87.00874	2.4
88.98818	2.0
89.02444	3.7
96.96014	22.4
97.02940	4.4
97.06593	3.4
98.95607	1.6
99.00876	9.2
101.02453	6.2
104.03497	1.2
112.98582	2.1
113.02457	3.8
114.93520	1.2
116.92873	4.8
119.05036	1.5
123.04443	1.7
125.02442	3.6
125.09737	2.9
127.11307	2.2
128.38181	1.1
135.08173	1.7
137.02422	1.5
137.09698	1.9
153.09200	1.6
155.10683	1.4
161.04558	1.7
163.04022	2.9
163.11258	6.9
165.01892	1.8
165.12787	1.2
169.05826	1.1
169.12291	1.2
171.10280	23.8
172.10529	1.9
179.10777	1.4
179.20747	1.1
181.12346	9.9
183.13945	2.0
185.11810	2.7
197.11798	4.1
199.13399	9.7
201.11331	11.0
207.10219	16.1
208.10651	1.4
209.11827	24.3
210.12212	3.0
211.13394	8.9
225.11301	33.3
226.11667	3.9
227.12880	5.7
229.14607	5.9
235.08214	3.7
243.12323	7.4
253.09244	9.1
289.07263	1.7
291.19876	2.4
307.19208	5.5
309.20718	3.2
325.20163	5.1
327.21759	22.4
328.22073	1.9
343.21262	2.0
356.04379	1.4
371.20807	4.0
375.27325	2.4
461.20401	4.4
466.08038	1.4
479.21265	1.7
539.30035	1.3
771.41650	8.5
772.43219	2.3
789.42908	56.1
790.43188	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	789.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	16.2
60.99301	11.4
61.98829	100.0
71.01379	45.3
80.54631	3.6
85.02969	5.5
88.98811	47.0
89.02431	11.2
96.96014	14.1
97.02911	4.6
101.02451	10.3
101.03130	3.9
109.06570	6.1
113.02475	3.8
115.70245	3.5
125.09731	6.1
169.12274	4.2
171.10271	50.7
181.12218	4.4
185.11800	7.4
197.11819	5.2
199.09636	9.5
201.11342	13.5
207.10228	14.8
209.11867	21.8
210.12131	6.0
211.13489	5.7
223.13361	16.4
225.11327	31.3
227.12904	7.1
235.08147	4.7
253.09216	13.2
289.18289	4.3
291.19684	21.0
293.21140	13.6
307.18820	5.3
309.20694	15.1
311.22003	8.4
327.21606	8.2
386.96222	3.7
445.21564	4.9
461.20102	13.1
703.33972	7.3
753.40381	10.5
771.38873	5.0
789.38983	16.2
790.38586	5.1
793.52289	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	789.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03450	1.1
59.01379	100.0
60.01726	1.1
69.41467	4.2
70.12807	0.5
71.01378	11.8
71.79330	0.5
72.66936	0.4
73.02950	3.5
78.95947	0.7
81.03483	0.9
83.01395	2.9
85.02943	4.6
89.02445	0.9
93.03463	0.7
95.01398	1.4
95.37537	0.5
97.03000	0.9
98.20647	1.0
99.00886	1.5
101.02437	7.5
109.02974	1.6
113.02454	4.6
125.02454	4.9
135.04556	2.7
137.02435	10.3
137.03392	0.8
138.02739	0.6
139.03981	0.5
143.03531	0.6
146.03766	0.6
149.02536	0.7
150.03270	1.7
151.03934	0.6
159.03027	1.4
160.01900	0.8
161.02428	0.6
161.04539	5.1
164.01161	1.6
165.01933	3.9
167.03535	1.0
174.03247	1.0
175.07661	2.4
176.04898	0.9
179.03540	2.1
187.07626	0.8
200.04741	0.9
203.07175	1.6
205.08694	0.7
217.08681	0.9
229.08884	0.7
247.09781	1.6
287.05347	0.6
304.64224	0.5
323.12964	0.7
331.17627	11.4
332.17841	0.7
367.11893	3.0
368.12466	0.7
368.93433	0.6
371.20636	2.8
373.14456	1.1
373.18707	9.5
373.23093	0.7
374.19080	1.1
385.12936	4.7
386.13568	0.6
399.14673	1.8
403.52402	0.6
417.15540	11.3
418.16098	1.8
795.16388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
59.01382	8.3
61.98830	60.6
69.03446	2.0
71.01385	10.3
71.52558	1.1
71.78484	1.1
71.81841	1.0
72.99280	1.4
73.02923	5.4
80.51479	1.0
81.03421	1.1
83.01374	6.7
85.02951	4.2
87.00877	7.6
87.04512	2.8
89.02412	2.4
93.03433	3.3
95.05045	1.7
96.96004	8.3
97.02970	6.4
101.02425	4.2
103.04015	1.4
103.21463	0.9
105.51333	0.9
107.91528	1.0
108.02172	4.7
109.02949	12.7
113.02426	1.9
115.03972	2.1
116.92847	1.3
118.70271	1.1
121.02964	7.8
122.03751	10.4
123.04560	9.2
124.01646	5.7
125.01740	1.0
125.02464	9.5
127.54788	1.2
128.03535	1.8
131.03490	4.5
131.04520	1.1
132.03009	1.7
134.54739	1.3
135.04483	3.4
136.01593	3.2
137.02448	46.1
138.03070	2.3
139.03957	3.8
143.03461	6.0
143.04544	1.9
146.03668	1.8
149.02391	6.6
150.03212	2.8
151.04036	5.2
154.02724	2.5
159.04509	4.4
161.02400	4.0
161.06105	7.3
162.03203	1.3
163.00410	1.2
163.03999	3.1
164.01189	8.4
165.01927	55.7
166.02214	3.0
171.10320	1.2
175.03986	2.9
175.07587	1.6
176.04672	1.5
177.05568	3.5
179.03506	7.2
187.03955	2.9
188.04707	1.6
201.05560	3.0
203.07141	7.4
205.05005	14.1
205.07111	3.1
209.11839	1.5
244.07294	2.5
245.08043	1.8
247.06081	3.4
273.73700	1.0
284.83932	1.2
288.06311	2.2
289.07178	2.1
306.07574	3.8
327.41629	1.1
385.12570	1.9
419.22232	2.2
637.28583	7.6
745.33752	1.5
789.33374	100.0
790.33655	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01383	8.2
61.98830	47.8
69.03452	2.3
71.01392	8.2
72.99277	0.9
73.02940	5.0
81.03455	1.2
83.01382	7.1
85.02943	3.5
87.00873	6.6
87.04510	1.2
89.02444	2.7
93.03459	3.3
95.01361	1.7
96.96021	6.8
97.02957	6.7
98.20642	2.6
101.02427	3.4
108.02159	3.2
108.91673	1.1
109.02965	11.9
113.02451	1.8
115.03981	3.3
121.02949	6.3
122.03744	9.8
123.04543	7.9
124.01627	3.6
124.04871	1.1
125.02462	6.5
128.03600	1.2
131.03485	3.8
132.03032	1.1
135.04521	1.9
136.01634	2.8
137.02443	40.0
138.02910	2.2
139.03967	3.2
143.03473	3.8
143.04539	1.5
146.03641	1.5
148.05319	1.0
149.02435	5.4
149.06032	1.5
150.03226	2.0
151.04005	4.2
154.02704	3.3
159.04504	3.4
161.02377	2.3
161.06120	5.2
161.07314	0.9
162.03203	2.0
163.04008	2.4
164.01161	9.0
165.01930	49.2
166.02267	2.0
171.10242	1.1
175.04007	2.6
177.05586	2.7
179.03462	6.4
187.03957	3.1
188.04637	1.4
201.05534	2.8
202.06432	1.6
203.07127	6.5
204.04225	1.8
205.05005	11.7
205.07066	2.9
206.93454	1.2
209.11803	2.7
218.05772	1.1
231.02950	1.7
244.07326	1.6
245.07986	1.4
288.06363	2.4
289.07208	2.8
306.07614	2.0
391.84457	1.0
419.22256	2.4
477.02298	1.1
637.28424	6.9
700.54498	1.3
726.99475	1.3
745.34753	1.9
757.45795	1.2
789.33374	100.0
790.33777	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	789.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03448	1.0
59.01385	6.9
61.98832	4.4
69.03445	2.7
69.19353	6.2
69.19766	1.9
71.01383	8.1
73.02940	5.4
74.02515	0.8
76.98891	0.7
81.03481	1.0
82.56178	0.9
83.01392	5.8
85.02940	2.1
86.00106	1.2
87.00878	6.6
87.04504	1.7
89.02452	1.6
93.03438	4.4
95.01386	2.1
96.70825	0.8
96.96008	2.7
97.02945	6.8
98.19825	1.8
101.02426	3.3
108.02174	3.2
109.02952	11.3
113.02460	0.8
115.04002	2.9
121.02962	6.4
122.03750	10.9
123.00884	0.9
123.04530	7.5
123.88005	0.9
124.01652	2.8
125.02457	9.2
131.03497	4.3
135.04520	3.3
136.01640	2.5
137.02440	49.8
138.03122	1.2
139.03978	3.5
143.03487	4.0
145.02882	0.9
146.03728	2.3
147.04492	0.9
149.02449	3.8
149.06015	0.9
150.03212	2.6
151.03986	5.0
154.02747	3.0
159.04520	3.2
160.05180	0.9
161.02406	2.4
161.06090	4.5
162.03152	1.7
163.00294	1.1
163.03931	3.4
164.01154	8.1
165.01921	51.4
165.05557	2.1
166.02267	2.8
167.03462	2.2
173.06075	2.0
175.03964	2.0
175.07654	1.0
177.05511	3.9
179.03484	5.4
185.06134	1.2
187.04016	2.9
188.04755	1.0
201.05495	2.8
202.06242	1.2
203.07100	9.0
204.04192	0.9
205.05026	10.5
205.07065	2.6
206.05392	1.3
217.08748	0.8
229.08563	0.9
231.03284	1.1
236.73961	0.8
244.07391	2.4
245.08008	1.9
247.06107	1.9
288.06372	2.2
289.07141	2.4
367.11758	2.8
385.12927	3.2
386.13171	1.2
403.13977	3.7
419.22189	3.2
433.89236	0.9
520.15668	0.9
565.22107	1.0
637.29150	3.7
745.33691	1.9
789.33350	100.0
790.33777	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13488	0.2
58.08913	0.2
61.98829	100.0
78.95930	0.5
81.56983	0.2
87.00884	0.2
97.06619	0.2
99.71449	0.2
115.21411	0.2
116.92874	0.4
146.95198	0.2
195.13922	0.3
253.09261	0.3
277.18176	1.6
279.19772	0.8
291.19684	0.9
293.21298	0.9
295.22815	0.2
392.70517	0.2
532.65881	0.2
777.84888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03437	1.3
57.65114	0.5
59.01374	7.6
61.98829	37.2
65.03955	0.7
69.03459	2.2
69.55499	0.7
71.01379	7.8
71.52389	1.1
72.99309	2.1
73.02956	5.3
74.19183	0.6
75.70541	0.7
77.03987	0.9
80.41588	0.7
80.77881	0.6
81.03461	1.0
83.01374	7.4
85.02951	2.8
86.00100	0.9
87.00855	4.9
87.04498	2.7
89.02465	1.5
93.03458	4.2
95.01397	1.3
95.05025	0.8
96.95999	3.2
97.02942	5.4
101.02464	2.9
103.04017	1.1
105.07100	0.6
108.02174	3.7
109.02953	11.4
110.64557	0.6
110.83350	0.7
113.02468	1.1
115.03992	2.7
116.92863	0.8
121.02954	8.2
122.03758	10.5
123.00855	1.4
123.04560	7.9
124.01654	3.5
125.02457	6.8
131.03487	4.6
132.02960	1.3
133.02930	0.7
135.04510	2.1
136.01645	1.3
137.02441	45.8
138.03065	2.0
139.04012	3.3
143.03506	4.4
145.02922	1.1
145.05009	0.8
146.03671	1.8
148.05244	0.7
149.02466	5.4
149.05952	0.8
150.03218	2.3
151.04008	4.8
154.02705	3.1
159.04494	2.7
160.05006	0.6
161.02419	2.7
161.06064	5.5
162.03169	1.6
163.03976	2.0
164.01132	7.4
165.01923	52.2
165.05537	1.5
166.02274	2.6
167.03503	1.3
173.06018	1.1
175.04008	1.8
175.07631	1.4
176.04745	0.9
177.01927	1.2
177.05569	3.2
179.03491	5.7
187.04008	3.6
188.04584	1.2
189.01903	0.7
190.02614	0.8
191.03391	0.8
201.05531	2.6
202.06361	1.8
203.03488	0.8
203.07114	7.0
204.04161	1.4
204.07358	1.2
205.05017	10.5
205.07101	2.9
205.08777	0.7
217.08611	0.8
222.99463	0.7
229.05003	0.8
231.03018	0.9
240.90497	0.6
244.07330	2.1
245.08165	2.2
247.05997	1.8
247.09627	0.8
288.06409	1.9
289.07083	2.5
297.75272	0.7
323.12689	0.8
327.89453	0.6
367.11984	3.2
369.13434	0.7
373.25861	1.0
385.12955	4.2
395.21933	0.7
401.12231	1.0
403.13934	2.0
419.22241	1.9
463.21609	0.8
514.88342	0.7
625.27856	0.9
637.28735	4.1
658.26685	0.7
745.34088	2.3
789.33344	100.0
790.33722	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03424	2.8
59.01381	15.6
61.98536	2.5
61.98832	28.2
63.01460	1.3
68.01394	1.3
68.99538	1.7
69.03456	3.0
71.01377	20.8
71.05025	1.5
72.99321	1.9
73.02954	3.0
78.95885	2.2
79.95728	2.3
83.01380	2.3
83.05037	4.0
84.02158	4.3
85.02959	5.1
87.00867	11.8
88.98804	3.5
89.02448	7.6
92.51823	1.4
95.05011	1.7
96.96007	49.0
97.02946	4.5
97.06596	10.9
98.19940	3.8
99.00879	19.8
99.04507	2.0
101.02432	9.7
108.36558	1.6
111.08153	2.0
112.98550	2.2
113.02436	5.2
116.92876	5.6
118.97555	1.4
119.03468	1.5
120.54235	1.6
123.08153	1.5
125.02449	2.0
125.09696	4.9
128.21680	1.8
128.57553	1.6
151.11279	1.7
161.04555	4.3
163.11281	6.7
165.12808	10.4
169.12346	8.9
171.10287	28.9
181.12335	11.0
183.13893	100.0
184.14221	5.5
185.11867	4.2
191.10727	1.5
193.12279	9.8
197.11818	13.5
199.13374	3.7
201.11317	6.6
207.10245	12.6
209.11804	23.5
210.11986	1.7
211.13434	8.7
221.11922	1.5
225.11360	18.6
225.14874	12.9
227.12866	8.8
235.08109	7.0
235.73123	1.4
243.12460	7.2
243.15991	6.7
253.09264	17.8
289.18146	6.2
291.19702	9.1
307.19150	5.8
307.22614	2.0
309.20557	12.9
341.23285	41.0
342.23795	3.6
461.20218	2.1
463.21991	4.5
479.21719	3.7
577.32288	1.7
686.35828	1.8
710.96356	1.7
769.40479	6.3
787.44751	95.8
788.45410	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.24072	0.2
71.49911	0.3
74.80829	0.2
78.95922	0.5
80.96527	0.3
90.44901	0.2
91.74266	0.2
99.92597	0.3
115.92089	0.3
116.92831	0.4
131.50290	0.2
152.99655	0.5
209.11935	0.3
244.47574	0.2
255.23116	0.3
261.94070	0.2
281.24869	0.5
282.25430	0.3
342.97757	0.2
553.24493	0.3
621.28955	0.2
789.42896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.0
61.98827	100.0
71.01379	60.9
73.02929	3.3
78.95897	5.6
81.03486	3.4
83.05020	5.8
84.02203	2.2
87.00882	11.1
89.02444	7.7
95.05048	3.4
97.02954	5.4
98.20730	5.7
101.02436	9.8
109.06581	18.6
113.02448	5.2
123.04582	2.5
125.09687	2.8
151.11301	2.4
161.04549	4.8
163.11336	15.3
165.12863	3.4
171.10255	27.2
181.12340	6.5
183.13878	29.0
185.11797	3.4
195.13890	9.3
197.11865	4.4
199.13452	4.8
201.11334	9.4
207.10268	54.9
209.11800	50.9
210.12132	3.4
211.13420	4.4
223.13298	12.0
225.11287	37.4
226.11671	2.5
227.12834	11.0
235.08156	6.8
243.12547	4.1
253.09297	25.1
256.12820	2.5
275.20135	3.7
291.19693	28.7
293.21228	63.7
294.21481	8.0
309.20679	9.2
461.20248	8.5
645.32007	2.8
671.32953	4.9
737.41376	6.6
738.41876	3.3
755.41821	5.0
787.44220	16.3
788.45880	5.7
803.73059	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.8
59.01384	13.5
61.98829	26.7
67.66685	1.7
69.44789	2.9
69.45195	10.3
71.01389	17.7
72.99300	1.6
73.02939	2.0
83.05021	6.0
85.02931	3.4
87.00878	7.0
89.02473	4.1
96.96009	2.6
97.02955	3.8
97.06636	2.1
98.20660	1.8
101.02431	9.3
107.76370	1.4
109.06561	3.2
111.08182	2.9
113.02465	2.2
116.92862	2.7
123.08271	1.9
125.09725	6.4
127.11332	1.7
135.66756	1.5
151.11316	2.2
161.04602	3.7
163.11240	5.7
165.12779	5.5
169.12325	26.9
171.10258	26.6
172.10571	2.0
181.12370	3.8
183.13921	2.7
185.11830	3.7
197.11810	18.8
199.09729	2.5
199.13359	3.9
201.11302	6.4
203.68124	1.6
207.10170	5.5
209.11827	100.0
210.12111	8.2
211.13365	6.2
213.11334	2.7
215.12985	3.2
223.09689	1.7
225.11311	7.1
227.12914	12.9
235.08253	8.7
245.18929	2.4
253.09296	17.6
289.18173	5.3
291.19690	27.4
292.19998	2.5
293.21155	1.8
307.19083	4.6
309.20685	55.9
310.20886	4.3
341.23154	3.4
363.56601	1.8
405.21283	1.9
445.20816	2.8
527.28693	2.9
545.29712	3.1
571.51636	2.0
592.11548	1.8
787.42700	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	787.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01374	3.5
61.37377	0.5
61.98831	100.0
62.89473	0.4
62.98538	1.0
63.99263	1.1
68.99570	1.3
70.99440	1.1
71.01394	3.4
73.02940	0.9
78.91896	1.6
78.95915	0.7
79.95722	0.8
80.52238	0.4
80.91692	6.9
80.96561	0.4
83.01405	0.7
83.05042	1.2
85.02955	2.3
85.45435	0.4
87.00893	0.8
89.02462	1.4
95.05082	0.5
96.96013	7.1
96.96967	0.8
97.02956	0.9
97.06609	1.1
99.00912	0.7
101.02458	2.2
109.02956	0.7
109.06584	1.1
110.03777	0.5
111.04526	0.9
112.98589	1.1
113.02462	0.9
116.92886	0.8
121.38725	0.4
123.04569	0.5
125.02466	1.6
125.09732	1.2
126.02791	0.5
127.07652	0.5
132.03101	0.5
132.67029	0.4
137.02426	1.0
137.09767	0.5
138.79442	0.4
151.91763	0.4
153.09235	1.1
161.02438	0.7
161.04533	0.7
161.09734	0.5
163.11359	1.3
163.25014	0.4
165.02000	0.7
165.12868	0.7
169.12311	3.3
171.10281	15.1
179.10768	0.5
181.12444	1.0
183.13954	1.4
185.11938	0.7
197.11853	7.0
198.12128	0.6
199.09749	0.5
199.13373	0.6
201.11365	2.6
207.10306	2.8
209.11836	7.7
210.12181	0.5
211.13457	1.4
213.11349	0.8
223.09822	2.2
225.11314	4.4
227.12891	0.8
229.14507	1.5
235.08311	1.4
253.09377	3.1
287.16235	0.6
289.07291	1.4
289.18008	0.7
290.07468	0.5
291.19717	0.8
305.17709	0.7
307.19238	2.1
309.20752	0.6
325.20160	2.7
327.21753	7.1
402.49170	0.5
443.53784	0.5
461.20041	0.7
566.41040	0.5
658.16724	0.5
689.34650	1.2
751.38751	0.5
769.39526	1.1
787.41290	12.2
788.41614	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	787.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	19.2
61.98826	77.5
66.52414	10.6
71.01376	60.9
88.98664	10.7
101.02393	15.9
103.00425	18.9
109.06559	25.2
160.23141	12.1
163.11264	20.8
165.12933	13.2
167.12723	11.9
171.10248	44.5
183.13840	100.0
201.11378	15.4
207.10291	29.1
209.11777	42.8
223.13408	49.3
225.11259	24.0
227.12895	18.2
253.09186	33.0
291.19769	23.0
309.20712	40.5
454.33548	12.5
548.72797	15.4
671.32538	18.8
748.20050	14.0
787.40631	35.8
788.40125	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
61.06230	2.4
61.98829	33.5
69.42591	10.9
69.43019	7.5
71.01377	4.5
89.02467	2.6
109.47355	2.2
111.08177	4.9
122.42874	2.7
136.76088	2.2
149.30980	2.3
161.04567	2.5
167.10672	2.6
178.34537	2.7
189.93091	2.9
195.13882	7.4
205.12323	9.0
221.11757	4.6
223.13382	100.0
224.13710	9.1
235.08290	5.1
239.12915	2.7
243.04001	2.5
253.09283	17.0
291.19638	95.8
292.20020	11.1
293.21219	10.3
377.02005	2.8
459.22321	5.9
518.03546	2.4
527.27405	3.3
554.55609	2.4
701.32703	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	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.3
63.75216	0.2
66.03732	0.2
70.31148	0.2
71.01408	0.2
71.49471	0.2
78.95931	0.5
121.12034	0.2
150.98048	0.2
171.10271	0.2
195.13905	0.3
209.11888	0.3
223.13362	1.8
253.09360	0.4
270.06076	0.2
291.19672	1.7
293.21115	0.3
542.48328	0.2
774.56525	0.2
786.48798	0.3
809.92328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.1
61.98828	100.0
62.98536	0.2
63.23774	0.1
71.01398	0.1
78.95914	0.2
98.20677	0.1
125.02474	0.1
171.10320	0.1
199.13582	0.1
205.01828	0.1
209.11873	0.2
209.73358	0.1
211.13458	0.2
226.31097	0.1
235.67590	0.1
293.21262	0.2
294.21692	0.1
414.75253	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	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
60.12941	0.3
60.16850	0.4
61.98830	100.0
71.01379	1.0
78.95915	0.6
89.02483	0.6
92.22651	0.4
97.06632	0.4
101.02473	0.6
112.61000	0.3
116.92839	0.5
152.99629	0.4
165.12878	1.7
183.13896	12.2
194.18976	0.3
197.08351	0.3
209.11818	0.7
227.12871	0.6
229.23102	0.3
253.09300	0.8
261.54562	0.3
275.20300	0.6
277.21701	14.7
278.22144	1.4
295.22592	0.5
349.25043	0.4
431.05084	0.4
723.43182	22.1
724.43646	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	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
61.98829	100.0
62.53823	0.1
62.98535	0.2
68.61584	0.1
69.90159	0.2
69.90575	0.1
71.53012	0.1
78.95914	0.2
98.20125	0.1
123.25104	0.1
128.47989	0.1
147.93330	0.1
207.70692	0.1
209.11876	0.1
277.21793	0.2
281.45154	0.1
295.22858	0.1
311.22192	0.1
345.96924	0.1
715.85693	0.1
786.49646	0.2
787.48621	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	786.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.1
61.98829	100.0
62.98538	0.2
69.26008	0.7
69.26414	0.2
69.41880	0.1
78.95914	0.3
96.96017	0.3
125.02490	0.5
137.02516	0.2
162.05670	0.1
209.11916	0.2
220.05658	0.1
241.01123	0.1
289.06952	0.1
406.20004	0.1
560.44434	0.1
786.35925	0.1
813.43359	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	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25960	0.1
57.71119	0.1
59.01370	0.1
61.98829	100.0
62.98533	0.2
70.16360	0.1
71.01411	0.2
71.22154	0.1
78.95907	0.5
79.33132	0.1
80.96545	0.2
87.00816	0.1
96.96991	0.1
101.78547	0.1
117.04770	0.1
171.10323	0.2
197.11815	0.1
201.11398	0.1
209.11914	0.1
211.13426	0.2
229.12750	0.1
277.21698	0.3
278.22186	0.1
279.23322	0.3
293.21216	0.1
295.22690	0.1
311.22549	0.2
327.21902	0.1
426.33041	0.1
469.05386	0.1
575.58148	0.1
680.17792	0.1
786.49438	0.3
787.48486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78139	0.6
55.01894	0.6
57.03447	1.4
59.01378	5.2
61.98829	100.0
67.01905	0.7
68.99548	0.7
69.03452	3.5
69.35499	1.5
69.35905	3.6
71.01377	5.8
71.05020	1.9
72.99322	0.6
73.02939	1.4
78.91882	0.6
80.59966	0.6
83.01400	0.7
83.05032	2.1
84.02177	1.1
85.02958	1.7
87.00880	1.6
88.02709	0.5
89.02448	3.6
95.05019	1.2
96.96004	3.6
97.02948	1.2
97.06580	0.9
99.00891	1.3
99.08190	0.7
101.02427	3.5
107.05048	0.6
109.06586	1.1
111.08125	0.7
113.02470	1.3
119.03555	0.9
119.05042	3.1
123.04509	0.7
123.08154	0.8
125.02425	1.5
125.09732	3.2
127.07657	2.0
127.95845	0.5
135.08199	0.6
137.02440	1.7
137.09731	0.8
145.02945	1.0
149.02518	0.7
149.09729	0.6
150.03207	1.7
151.04039	0.9
151.11272	2.6
153.09207	1.0
153.12863	0.7
161.04639	0.8
161.09737	2.3
163.03969	2.4
163.11287	0.9
165.01866	1.2
165.05574	0.9
171.10260	7.2
177.12952	0.7
179.10825	4.8
185.11812	2.8
193.12355	0.7
195.06491	1.0
195.10266	1.9
197.11821	38.0
198.12192	2.4
207.10262	2.4
209.11842	10.2
210.12190	0.7
211.13393	2.0
215.12805	0.9
221.11894	1.3
223.09735	1.0
223.13393	1.2
225.11327	3.6
227.12906	0.8
235.08174	0.8
241.10854	1.9
243.12274	0.8
253.09210	3.8
268.13132	0.8
289.07141	1.0
289.18066	2.6
307.19141	4.5
325.20184	1.8
327.21686	1.4
341.23260	1.1
343.21487	0.8
357.26337	3.3
477.19565	2.0
497.83484	0.7
515.02136	0.8
767.38556	3.1
768.38452	1.4
785.39642	49.7
786.39935	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	785.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.6
61.98829	100.0
71.01382	7.0
71.49776	3.1
74.69445	2.0
78.95904	4.7
79.22883	2.0
87.68197	2.2
96.95998	3.4
100.39647	2.5
108.64001	2.3
109.06651	3.4
116.61229	2.4
125.02424	3.8
136.39594	2.3
168.96375	2.8
171.10262	4.8
185.11711	2.6
207.10309	7.4
209.11765	6.7
213.14886	3.5
223.13353	8.8
225.11255	4.8
253.09294	6.5
289.18036	5.0
293.21210	6.9
307.19031	5.0
341.23349	6.7
371.84171	2.4
425.35126	2.5
439.69852	2.2
440.32385	2.4
705.49139	2.7
785.42096	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	785.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.3
58.00582	3.2
59.01115	3.4
59.01381	38.6
59.60423	1.8
61.98830	67.5
67.01879	2.5
69.03465	11.0
69.43877	3.2
69.44267	11.6
71.01007	3.0
71.01382	38.4
71.05017	2.1
72.99296	2.8
73.02943	3.8
75.00852	7.6
78.95872	4.7
79.12010	1.8
81.03452	2.6
83.01376	5.5
83.05019	9.5
85.02940	11.0
87.00893	9.8
88.98777	2.6
89.02445	22.0
95.01384	3.7
96.95989	6.1
97.02939	6.9
97.06586	4.6
99.00862	4.3
101.02453	19.2
109.06568	2.9
111.00890	2.5
111.04472	2.6
113.02459	11.8
119.03530	3.8
123.04539	4.9
123.08157	2.6
124.87597	1.7
125.02416	6.3
125.09692	9.9
135.08112	2.0
137.09694	3.6
151.04004	2.2
151.11247	6.8
153.12814	2.5
161.04514	4.7
161.09752	10.8
163.11288	2.7
165.12799	3.8
167.07182	2.0
167.10771	2.3
169.12265	3.0
171.10234	13.5
179.05580	7.4
179.10760	21.2
179.14273	2.4
183.13914	4.3
185.11800	11.0
191.10858	2.6
191.14374	2.5
197.11832	100.0
198.12161	4.4
207.10225	5.2
209.11818	33.6
211.13358	7.9
213.11246	5.3
221.06599	2.2
221.11818	6.2
221.15747	2.1
223.09692	7.6
223.13342	3.0
225.11240	8.2
227.12772	4.1
235.08218	5.1
239.12830	5.0
241.10759	7.5
245.19026	7.3
253.09343	14.0
267.19879	2.3
289.18057	19.8
291.19647	3.4
293.21170	4.9
305.17474	2.1
307.19104	15.3
325.25290	3.4
341.24146	2.7
343.26215	4.5
359.25894	3.8
369.24353	5.2
387.25415	11.8
397.13422	5.5
405.26459	23.9
459.18561	4.0
475.22293	1.8
477.19836	10.5
478.20041	2.4
523.33337	2.1
605.33490	2.6
669.31207	7.7
670.30859	2.6
699.32672	8.8
767.38385	30.8
768.38940	6.5
785.39697	84.5
786.40308	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	784.449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98528	0.2
67.93890	0.1
78.95939	0.1
80.96503	0.1
139.31056	0.1
154.12029	0.1
228.03079	0.1
259.72177	0.1
261.04727	0.2
338.09940	0.1
628.40057	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	785.388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84893	1.5
59.01371	3.2
61.98829	100.0
70.92779	3.5
70.93118	1.5
71.01371	3.1
75.83701	1.5
78.37115	1.4
78.95895	6.4
88.98798	1.5
89.02419	2.1
91.71792	1.6
93.87404	1.5
101.02441	1.7
125.02459	1.9
125.09679	1.5
160.02780	1.7
163.11269	1.6
171.10226	5.1
176.81075	1.5
183.13910	2.1
196.78738	1.5
199.13420	3.4
207.10205	5.2
209.11775	4.9
211.13428	2.4
215.12814	2.4
223.13400	3.6
225.11313	4.3
227.12752	1.9
253.09216	4.9
293.21149	4.1
294.21793	1.8
307.19168	3.6
309.50192	1.4
323.25848	2.3
341.23212	4.5
348.78683	1.6
414.57114	1.9
654.71643	1.7
740.46600	1.6
785.43683	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	784.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63130	0.2
61.98830	100.0
71.01387	0.3
71.04729	0.3
78.95917	0.4
91.24889	0.2
96.96014	0.4
101.68314	0.2
125.02516	0.3
136.77464	0.2
171.10292	0.3
183.13823	0.2
187.98337	0.2
199.13458	0.3
207.10358	0.4
209.11885	0.4
211.13448	0.5
225.11311	0.3
253.09412	0.4
277.21655	0.2
289.18192	0.2
293.21317	0.5
294.21613	0.2
302.63110	0.2
339.25748	0.3
784.45685	0.3
785.46002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98829	100.0
62.98528	0.2
63.50425	0.1
71.01393	0.1
71.49707	0.1
71.50076	0.1
78.95896	0.1
80.96517	0.5
83.72596	0.1
88.12820	0.1
94.98125	0.1
115.78537	0.1
170.04964	0.1
185.11819	0.2
199.13411	0.1
209.11946	0.4
210.12236	0.2
210.86061	0.1
219.53848	0.1
225.00751	0.2
225.11438	0.1
226.11823	0.1
227.12875	0.2
253.09753	0.1
277.21698	0.8
278.22021	0.4
291.19708	0.1
348.28708	0.1
532.34503	0.1
784.42517	0.5
785.42645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53363	0.7
58.20435	0.7
58.65407	0.8
59.01374	9.2
61.98827	18.6
63.54448	0.7
64.17244	0.7
71.01378	2.9
78.95911	1.0
85.02969	0.9
89.02432	2.9
91.75529	0.7
101.02435	3.3
113.02476	0.9
119.03595	0.7
125.02442	1.0
148.08376	0.8
161.04533	0.8
174.40451	0.8
183.13876	5.8
193.12405	1.0
195.13898	5.7
197.11784	0.8
209.11780	1.0
211.13380	100.0
212.13741	7.8
223.13333	3.2
229.27457	0.8
235.08223	3.4
253.09294	15.0
254.09715	0.9
256.13013	0.9
275.20114	5.9
277.21732	1.3
278.22263	0.9
289.07120	1.0
293.21216	66.5
294.21573	7.2
447.22314	9.5
448.22949	1.0
487.34583	1.2
529.30273	2.4
583.26794	0.8
610.81000	0.8
626.16455	0.9
784.47650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98829	100.0
62.77375	0.1
62.98538	0.3
64.35764	0.1
69.47753	0.1
70.93307	0.2
71.01397	0.1
71.99613	0.1
88.98824	0.1
96.96030	0.3
107.35522	0.1
115.01414	0.1
163.11211	0.1
171.10229	0.3
183.13884	0.1
197.11703	0.2
201.11470	0.1
209.11884	0.2
211.13391	0.2
221.11830	0.2
223.13182	0.2
225.11342	0.2
253.09375	0.3
295.44586	0.1
300.72366	0.1
325.62115	0.1
327.22049	0.1
767.39191	0.2
785.40808	0.4
818.02515	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98830	100.0
68.99565	0.2
78.95903	0.7
80.96514	0.3
97.39767	0.2
98.20280	1.4
144.36238	0.2
160.40404	0.2
171.10318	0.3
185.11752	0.4
198.00179	0.2
199.13472	0.6
200.13678	0.3
209.11790	1.1
210.12199	0.4
211.13585	0.3
227.13014	1.1
228.13300	0.2
253.09378	0.2
277.21735	2.6
278.21960	1.3
289.18414	0.3
293.21304	0.7
311.22150	0.3
548.67926	0.2
784.44714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44814	1.6
59.01375	13.5
59.62375	1.7
61.98828	73.0
66.32641	1.4
71.01376	3.7
71.16281	1.4
73.02898	1.6
77.56248	1.5
78.95909	3.3
80.96519	4.4
83.05035	2.8
87.00863	3.1
96.20940	1.4
101.02434	5.0
135.16867	1.4
161.04543	2.4
163.11234	2.1
164.30754	1.4
165.12752	2.1
169.12314	5.1
173.83647	1.4
178.17862	1.4
185.11801	7.8
199.13406	15.3
209.11812	54.9
210.12119	4.5
227.12917	16.6
235.08197	4.9
240.69333	1.5
253.09363	8.7
277.21713	100.0
278.22101	13.0
291.19690	2.4
293.21347	2.4
445.20932	2.7
459.73154	2.1
783.41913	4.9
784.47211	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	782.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59974	0.1
56.60265	0.1
61.98827	100.0
62.98527	0.2
72.93435	0.1
73.75861	0.1
78.95921	0.1
80.96519	0.5
177.19617	0.1
191.81798	0.1
223.13560	0.2
224.13824	0.2
225.00826	0.1
225.14073	0.1
229.23294	0.1
277.21933	0.1
365.91547	0.1
782.40582	0.6
783.41174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
60.82940	0.2
61.98828	100.0
62.98526	0.4
63.26252	0.2
63.69637	0.2
63.99256	0.3
67.50414	0.2
71.01390	0.7
72.99328	0.2
78.95924	0.4
78.98595	0.3
79.95744	0.6
80.96513	3.9
82.96101	0.1
85.02983	0.2
87.00878	0.3
91.33766	0.2
94.98088	0.8
122.97552	0.3
134.97615	0.5
148.99086	0.2
152.98582	0.3
164.98636	0.5
169.12216	0.2
185.11829	0.2
199.13438	0.8
209.11855	0.5
223.13474	0.3
225.00687	1.1
225.11479	0.2
227.12973	0.7
229.47406	0.2
235.08403	0.2
253.09296	0.3
255.23557	0.2
277.21695	3.3
278.22171	0.5
287.16589	0.3
344.41321	0.2
722.42859	0.3
782.40930	2.1
783.41827	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	783.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01374	9.4
61.98833	6.1
69.03452	4.2
71.01376	7.0
71.05031	0.8
73.02950	1.1
78.95890	0.6
81.03487	0.8
83.01379	1.3
83.05029	1.4
84.02166	2.4
85.02953	2.2
85.06589	1.0
87.00867	1.0
89.02433	4.4
89.10972	0.5
91.73209	0.5
95.05029	0.7
96.96001	3.8
96.96965	0.6
97.02947	1.8
97.06584	6.7
98.19831	1.1
99.00897	0.5
99.04523	1.6
101.02448	5.8
101.89685	0.5
109.06569	1.3
113.02420	3.0
119.03481	1.3
119.08637	0.7
125.02309	0.6
125.06062	0.6
125.09711	1.8
135.08194	0.6
137.09752	0.9
143.03532	0.8
149.09682	0.9
149.13469	0.7
151.11249	1.5
161.04559	3.7
163.11288	0.7
165.12833	0.8
167.10786	2.5
169.12276	0.7
171.10266	14.8
172.10654	0.7
177.12819	1.5
179.05530	0.6
179.10793	0.8
179.14391	3.1
183.13959	0.6
185.11742	0.8
193.12311	8.7
194.12596	0.7
195.13907	9.8
196.14169	0.7
197.11821	0.9
199.13434	2.0
201.21114	0.5
205.12329	11.1
205.14270	0.6
207.46332	0.7
209.11862	2.0
211.13368	3.8
221.11798	1.8
223.13383	100.0
224.13745	7.3
225.11504	0.7
225.14955	13.8
226.15302	1.0
227.12814	0.8
235.08185	6.7
235.13217	0.6
237.14911	3.6
239.12851	2.1
243.15973	6.0
253.06631	1.1
253.09280	20.4
253.14540	0.7
254.09686	1.4
255.16046	1.1
291.19693	2.9
293.21243	1.9
309.20755	1.9
323.22339	1.7
341.23300	98.3
342.23608	9.4
421.17484	0.6
423.67975	0.5
459.22327	10.3
460.22488	0.7
533.80585	0.6
547.36554	4.5
548.36450	0.8
577.32306	4.1
657.31378	0.8
783.44812	1.5
784.42377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78685	1.0
59.01100	1.6
59.01377	18.6
61.98829	20.6
69.03432	0.8
70.43224	0.9
70.43560	2.7
71.01380	3.8
73.02940	0.9
78.95904	8.9
79.95737	5.3
80.96509	8.0
85.02953	1.7
87.00870	1.3
87.30552	0.9
89.02449	2.3
96.96920	1.4
97.02982	1.0
101.02433	2.5
109.06583	1.1
111.59615	0.9
113.02450	1.6
118.27867	0.9
120.15488	0.9
148.49963	0.8
151.48346	0.9
152.99577	1.3
159.65196	1.0
161.04558	1.4
165.12770	1.0
167.10713	2.3
179.14427	2.3
180.85533	1.0
183.13898	3.0
195.13905	5.6
199.13333	1.4
205.12329	8.2
223.13379	68.7
224.13727	5.8
225.00725	1.7
227.12784	1.1
235.08234	6.1
241.01094	3.6
253.09222	10.6
253.21744	7.5
255.23358	7.3
279.23267	100.0
280.23654	10.2
291.19608	2.7
309.20682	3.9
441.20813	2.3
459.22424	7.2
509.59848	1.0
515.32056	1.8
611.51801	1.0
714.29779	1.1
721.44733	1.9
763.40118	1.2
781.40753	14.7
782.40570	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	781.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97100	0.5
59.01366	1.1
60.99304	16.9
61.98827	81.7
62.98539	0.6
68.74932	0.6
71.01386	0.7
71.51799	0.7
71.52190	0.6
72.99323	1.4
74.24153	0.5
80.62186	0.5
83.01402	0.8
83.05071	0.5
87.00885	1.1
88.00385	2.3
88.98802	100.0
89.02427	5.8
89.93298	0.5
89.99155	0.9
96.96001	0.9
109.02981	0.6
116.92840	0.7
125.02419	0.7
137.02400	0.8
163.38127	0.5
165.01930	0.5
171.10309	0.6
175.07381	0.5
183.62085	0.5
209.11845	3.6
211.13403	2.5
227.12601	0.6
276.10135	0.5
293.21124	1.2
781.34167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	95.2
63.96219	1.4
71.01366	5.3
73.02933	1.9
78.95904	38.7
78.98592	4.1
79.95733	10.8
80.96515	47.1
81.03431	2.0
83.05011	4.2
85.02943	1.2
94.98087	11.6
95.88702	1.0
96.96948	8.9
97.02949	1.0
98.20654	2.8
101.02395	1.3
106.98081	2.6
122.97563	1.2
124.47691	1.1
125.02413	1.9
134.97531	4.1
142.11188	1.0
148.99115	3.0
152.98561	3.4
152.99672	6.2
163.11205	2.6
164.98619	9.2
209.11806	29.7
210.12154	2.2
223.00101	2.3
225.00746	15.4
227.12811	6.9
229.43575	1.1
241.01192	16.7
255.23291	22.9
256.23602	3.1
259.02307	1.6
263.12100	1.3
281.24826	1.8
363.12054	2.4
391.22461	1.5
450.84531	1.1
535.47058	1.1
537.28595	1.1
553.27759	1.6
627.41907	1.1
652.72888	1.2
753.82556	1.1
781.40802	100.0
782.41150	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14196	1.6
59.01387	5.7
60.99299	5.4
61.98830	64.4
71.01370	4.3
71.33472	2.1
71.33802	1.8
72.99294	4.3
77.43807	1.8
77.82584	1.9
81.47798	1.8
83.05034	3.3
88.98814	26.7
89.02408	3.9
101.02450	3.5
110.36426	1.5
113.02511	3.0
123.04519	1.9
125.02434	5.4
137.02437	3.5
163.11253	3.0
165.01958	2.5
165.12828	2.6
171.10229	3.9
175.42429	1.9
177.01921	2.5
183.13957	5.0
209.11827	100.0
210.12181	6.0
211.13380	85.9
212.13722	5.2
227.12871	16.0
235.08321	4.0
253.09322	6.4
289.17990	3.1
297.97159	1.9
324.72754	1.8
445.20535	4.6
447.22388	6.6
586.03967	1.7
639.33649	4.9
781.34204	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01376	16.0
61.98829	40.8
69.03467	0.9
71.01381	5.2
71.49660	0.7
73.02903	0.7
73.94366	0.8
78.95918	0.9
78.98604	0.7
79.95755	1.4
80.96516	7.1
81.03448	0.8
83.01405	0.8
83.04993	0.7
83.78177	0.6
85.02946	1.2
87.00857	0.8
88.98794	0.9
89.02430	1.9
94.98090	1.4
97.02943	5.9
97.06580	1.2
98.18081	0.6
99.00872	9.1
101.02428	3.6
109.06596	0.9
113.02460	2.7
125.02407	1.6
125.09727	2.7
134.97563	0.8
135.08148	1.1
136.05298	1.1
142.02716	2.1
146.08626	0.6
152.98553	0.7
159.10942	0.6
161.04581	1.1
163.11301	7.1
164.98602	1.0
166.37840	0.6
169.47754	0.7
173.23398	0.7
179.10693	1.0
181.10828	1.0
181.12340	14.8
197.11807	0.6
199.13406	1.1
207.10254	50.8
208.10565	2.9
225.00702	2.8
225.11314	100.0
226.11606	6.6
235.08058	1.2
235.13449	0.8
243.12364	9.8
253.09212	3.0
277.21701	81.8
278.22058	9.0
299.15033	1.0
443.19238	3.6
461.20233	41.0
462.20349	4.9
721.41675	24.7
722.41943	6.8
781.40515	8.5
782.41443	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	781.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87379	2.6
59.01387	12.1
61.98827	46.4
63.15683	2.5
71.01393	3.9
71.49856	3.1
71.85790	2.2
78.95899	4.7
79.71855	2.5
80.96536	9.0
89.02479	3.4
101.02438	3.8
177.12830	3.9
191.51563	2.6
195.13889	7.6
203.10828	4.1
209.11826	100.0
210.12206	8.7
235.08182	8.6
239.13065	2.8
253.09290	14.6
261.90756	2.6
275.20117	8.1
277.21655	3.6
279.23605	3.3
291.19669	6.6
293.21234	69.0
294.21548	8.3
306.30423	2.7
338.25818	3.0
781.40698	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	781.4405
Annotation	lugdunin
Peak:m/z	Relative Intensity
55.74047	0.9
56.90751	1.0
61.98830	1.7
63.96228	1.8
68.53869	1.0
71.01380	10.2
77.92895	0.8
78.95895	2.5
78.98594	8.0
79.95738	17.2
80.96516	100.0
85.02948	3.8
87.00861	3.2
94.98082	22.0
96.96001	2.6
97.02938	1.9
100.46671	1.0
101.02425	3.4
106.98068	4.6
122.97565	5.3
125.02444	2.9
134.97592	4.8
136.99121	2.0
148.99133	8.6
152.98610	7.8
164.98622	16.6
175.78482	0.8
180.97275	1.0
192.83466	1.0
206.99625	2.6
211.13307	1.3
225.00734	21.5
255.23244	3.1
277.21982	1.4
283.05133	0.9
295.83865	0.8
298.00647	0.9
309.50153	0.9
411.82928	1.1
432.40610	1.0
450.48434	1.0
525.19971	3.2
781.44049	97.8
782.44415	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	780.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34783	0.1
61.98829	100.0
62.98540	0.2
67.00629	0.1
69.83566	0.5
71.01377	0.1
78.95909	0.8
79.95741	0.3
80.96512	1.1
94.98112	0.3
96.96967	0.3
115.93061	0.1
164.98648	0.3
177.15102	0.1
181.12364	0.1
209.11914	0.4
225.00784	0.4
241.01326	0.3
255.23375	0.4
277.47183	0.1
357.46143	0.1
780.27319	0.1
780.39740	0.5
781.40674	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	780.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98518	0.3
69.26252	0.5
69.26659	1.2
74.70110	0.2
78.95918	0.3
79.95725	0.2
80.96498	1.1
87.76601	0.2
94.98101	0.2
153.15816	0.2
164.98666	0.3
168.97824	0.2
169.86063	0.2
176.20961	0.2
178.80063	0.2
199.43842	0.2
207.98235	0.2
217.70726	0.2
219.81610	0.2
225.00705	0.3
251.48268	0.2
252.05731	0.2
255.23364	0.4
262.55063	0.2
387.78461	0.2
559.07526	0.2
726.70447	0.2
780.43420	0.3
781.43555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44225	0.7
59.01364	1.2
61.98835	11.7
69.32803	5.8
88.98807	1.7
93.03436	4.8
95.05023	1.1
98.19922	1.7
105.01887	0.8
106.26450	0.7
108.02140	1.3
119.73722	0.8
121.02938	6.7
122.03745	13.9
123.04518	1.8
124.01637	0.8
125.02429	1.7
132.02176	2.3
133.02925	1.9
134.03743	1.1
135.04518	0.9
136.01654	2.0
137.02420	2.8
145.02986	0.8
146.04617	1.7
147.04543	1.2
149.02441	34.7
150.03224	77.5
151.03888	4.7
160.01608	3.6
161.02385	1.4
163.03986	1.7
164.04813	8.6
165.01895	3.2
165.05562	73.6
166.05899	3.9
175.03981	3.9
179.03450	1.3
179.07140	1.1
180.04305	6.1
195.06618	52.3
196.06937	3.4
209.11769	2.7
210.11972	0.7
211.03976	0.9
213.05534	0.8
223.09637	1.3
225.07632	2.8
227.12781	1.1
237.05595	1.4
238.06139	0.8
239.07082	1.0
241.04950	1.0
242.09419	2.1
246.08893	1.2
255.03041	0.9
255.06448	1.5
257.08405	1.1
257.11664	2.0
258.08899	1.5
261.07690	1.1
263.26813	0.8
267.06494	2.3
269.08099	3.7
270.08972	8.8
271.09583	1.5
273.11337	1.0
281.04602	1.1
282.09024	2.2
283.06244	1.3
283.09586	2.1
284.07013	3.8
285.07745	2.0
285.11295	9.2
286.08389	2.7
286.11584	1.3
289.07263	1.6
296.06995	1.0
296.10306	0.9
297.07504	1.9
297.41971	0.9
298.08466	7.2
299.09149	11.7
300.09720	1.3
301.10782	3.1
306.29459	0.8
310.08365	1.7
311.09262	4.5
312.09830	1.2
313.07141	3.0
313.10754	10.1
314.07880	9.1
314.11453	3.2
323.09033	1.6
324.09967	2.2
325.10809	4.4
326.07861	3.3
326.11481	2.6
327.12100	2.0
328.09421	6.5
328.13205	2.7
329.10291	26.7
329.13840	2.0
330.10776	3.4
340.12869	2.0
341.10278	34.3
341.13834	1.3
342.10818	5.5
343.11868	47.1
344.12595	45.4
344.16101	0.8
345.13187	8.6
356.12622	13.1
357.13354	3.7
358.14215	5.1
359.14984	100.0
360.15356	9.4
371.14978	62.6
372.15277	7.2
373.12854	1.5
389.15952	1.8
391.14056	5.6
481.17212	0.9
507.19925	1.9
537.21338	19.5
538.21423	3.8
585.23450	6.5
631.74017	0.9
703.27740	3.9
704.27783	0.9
723.46674	0.8
733.28430	12.3
734.28741	3.2
781.31750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10098	0.3
61.98829	100.0
69.90032	0.7
69.90425	0.5
71.44312	0.3
72.06567	0.3
73.08575	0.3
104.49628	0.3
176.14845	0.3
193.69188	0.3
213.38411	0.3
253.09355	0.3
255.23293	0.5
256.23590	0.6
277.21689	0.4
449.13519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98825	25.3
63.96230	1.8
64.09082	0.8
66.13453	1.0
69.83894	4.6
69.96831	1.1
71.01377	9.9
73.02936	2.0
76.52414	1.0
78.95898	11.6
78.98586	6.3
79.95741	12.0
80.96513	80.3
85.02954	2.1
87.00864	3.2
94.98080	22.1
96.96004	2.1
96.96944	2.1
97.02929	2.4
99.00871	1.5
101.02442	2.8
106.98094	3.2
116.92819	1.3
122.97572	4.4
125.02417	3.5
134.97577	7.1
136.99139	3.2
148.99086	7.2
152.98572	5.6
152.99615	2.0
164.98634	14.2
181.12289	2.2
184.87030	0.9
197.11856	6.8
198.12210	1.2
206.99585	3.8
207.10249	7.1
209.11842	1.2
223.00095	1.4
223.13377	2.8
225.00716	26.1
225.11340	7.7
241.01144	4.9
241.10652	1.2
251.20010	2.1
253.21715	1.4
255.23265	14.7
256.23666	1.3
277.21561	3.0
523.14844	2.1
538.57471	1.1
779.39008	100.0
780.39368	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	779.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01378	17.2
60.48713	0.3
61.98829	31.4
69.03463	1.9
71.01382	3.3
71.05009	0.5
71.26056	0.6
73.02943	0.7
78.95890	1.7
78.98618	0.5
80.25584	0.3
80.96515	2.2
83.01395	0.4
83.05039	0.5
84.38789	0.3
85.02963	0.8
85.06590	0.4
87.00878	0.6
89.02438	2.3
93.11910	0.4
95.05025	0.3
96.96927	0.4
97.02935	0.5
99.93068	0.4
101.02425	2.6
113.02444	1.8
119.03488	0.6
143.03458	0.8
152.98553	0.4
152.99629	0.5
161.04549	1.3
161.13319	0.5
167.10771	3.2
177.12782	0.5
179.05667	0.9
179.10730	0.8
179.14417	3.1
195.13889	10.3
196.14250	0.7
205.12338	8.9
206.12587	0.8
207.10303	0.8
223.13376	100.0
224.13708	8.3
225.00696	0.8
225.11284	1.5
235.08211	2.7
241.01190	1.2
253.06734	0.6
253.09280	7.4
254.09647	0.7
255.23344	1.1
266.33496	0.4
277.21701	58.6
278.22052	6.0
278.24951	0.7
281.24915	0.4
325.15799	0.4
380.70261	0.4
399.53522	0.5
441.21371	2.1
459.22293	13.2
460.22534	1.7
513.30701	0.5
537.67462	0.4
719.43628	1.8
720.45953	0.5
779.39252	6.4
780.39734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73175	0.7
59.01380	1.9
61.37287	0.7
61.47804	0.9
61.98797	1.3
69.03461	1.9
69.99352	0.8
70.19922	0.9
71.01369	1.8
78.95905	67.8
78.98571	0.9
79.95732	1.9
80.96513	14.0
94.98071	3.0
96.96000	1.0
96.96957	16.8
98.19853	1.8
122.97561	1.4
131.78250	0.9
133.31732	0.8
148.99097	1.2
149.09712	0.9
152.99600	17.0
164.98592	1.9
167.10782	2.8
179.10774	0.9
179.14395	2.2
195.13885	9.1
196.14302	1.1
196.89427	2.0
205.12340	5.9
223.00053	4.8
223.13361	28.6
224.13622	2.3
225.00677	3.2
240.98741	1.6
241.01192	27.8
255.23274	45.7
256.23523	4.3
259.02200	2.0
297.03754	2.5
308.63736	0.9
315.04831	1.2
359.12604	1.1
391.22440	4.9
521.17682	1.4
553.28223	5.2
554.28571	1.0
641.11005	1.0
777.41663	100.0
778.41943	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84578	1.3
59.01384	4.3
61.83884	1.2
62.28099	1.3
69.03465	2.1
70.96703	2.9
76.58246	1.3
78.09236	1.2
78.95905	93.4
79.95724	2.5
80.96523	7.6
86.00227	1.2
88.24135	1.3
90.13973	1.4
94.98090	2.2
96.96965	19.2
108.56272	1.5
109.03598	1.4
152.99597	32.1
153.99939	1.7
167.10751	4.1
171.00595	1.8
171.10260	1.8
179.10806	1.8
179.14421	2.1
195.13966	9.9
205.12373	6.4
217.00337	2.2
223.00150	9.1
223.13382	36.7
224.13634	1.8
225.00687	1.7
241.01175	37.1
242.01579	1.5
255.23279	98.3
256.23645	9.1
279.23328	1.8
293.21240	4.0
295.22925	1.6
311.22186	5.8
391.22787	8.2
521.17871	3.0
521.24951	1.7
553.27637	6.8
777.40729	100.0
778.41199	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.8
59.01377	9.3
60.55961	0.8
61.98830	17.2
68.99822	5.7
69.03461	2.1
71.01379	10.5
72.99312	1.2
73.02952	2.6
78.95914	2.9
81.03441	1.1
82.59112	0.7
83.01387	2.9
83.05009	3.4
85.02941	5.3
87.00882	2.3
87.04552	0.7
89.02445	4.8
93.03468	3.8
95.01395	1.2
95.05025	2.4
97.06612	2.8
98.19863	1.7
99.00874	0.9
101.02440	8.1
106.04235	8.1
107.05033	6.6
108.02220	0.8
109.02919	0.8
109.06596	3.8
111.08190	1.1
113.02438	4.4
113.09747	0.9
119.03528	2.0
119.05040	1.6
121.02947	1.4
121.06625	0.8
125.02399	1.3
132.05804	1.3
134.89479	3.5
135.04543	1.7
135.08205	1.2
138.03221	2.0
143.03529	1.2
145.05048	1.4
159.11824	3.6
161.04559	3.1
161.09727	1.0
167.10789	1.5
173.09612	0.9
175.11342	1.4
177.12839	25.3
178.13162	1.9
179.05611	1.8
179.10878	1.6
179.14389	1.1
185.09839	0.9
195.13896	49.5
196.14252	3.8
203.10777	27.6
203.14357	4.2
204.11136	1.9
205.12273	2.4
209.11797	1.4
211.13304	1.0
219.13910	1.1
221.11830	12.9
222.12077	1.0
223.13406	11.0
224.13693	1.3
225.14861	1.2
227.12888	0.8
228.13486	1.1
229.12338	15.3
230.12607	1.7
235.08221	8.3
237.14954	42.1
238.15266	3.7
239.12810	1.3
247.13368	64.4
248.13713	5.3
253.09248	14.0
255.23254	1.3
256.13165	1.4
265.14441	13.1
265.21707	0.9
275.20126	7.9
277.21735	4.3
293.21210	100.0
294.21539	10.7
295.22665	0.9
334.77670	0.7
445.88434	0.8
457.20804	6.5
465.21423	3.3
466.38196	0.8
473.23965	3.3
474.24817	0.8
483.22363	13.0
484.22601	1.6
501.23322	8.1
502.23523	1.5
529.30176	1.4
610.49414	0.8
723.43524	1.0
724.41779	0.8
733.41779	3.7
734.41492	1.0
759.43018	4.9
760.42822	1.6
777.44238	91.1
778.44604	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	777.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.7
66.62174	0.6
66.98227	0.5
67.11816	0.5
69.03465	0.7
78.95903	26.8
79.95735	1.2
80.96169	0.5
80.96523	4.8
82.56902	0.5
90.97724	0.6
94.98048	0.9
96.96949	2.9
98.19926	1.1
113.09701	0.9
122.97561	1.6
139.11259	0.7
152.99583	23.2
164.98671	0.8
171.00630	3.5
171.10260	1.9
181.12309	0.7
197.11809	1.2
199.13438	0.8
209.11801	0.7
211.13365	3.4
223.13423	1.5
225.00717	0.8
227.03252	1.4
228.99864	0.7
241.01080	0.6
255.23288	100.0
256.23618	10.8
257.23926	0.7
275.19901	0.7
293.21210	4.5
294.21625	1.1
295.58740	0.6
311.22266	15.7
312.22690	2.3
447.21335	4.9
519.02856	0.8
521.25189	4.0
522.25293	0.7
539.26434	2.1
540.26965	1.0
541.26752	1.3
605.01654	0.6
626.42615	0.6
689.07880	0.6
777.49329	67.8
778.49622	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10205	3.5
59.01373	8.5
61.98826	51.7
71.01377	14.3
78.95893	25.2
86.10517	3.3
96.56991	3.6
148.33931	4.5
148.82283	3.5
152.99570	9.3
156.55777	3.8
158.55002	3.5
166.32124	3.4
171.10297	6.6
195.13837	3.7
209.11819	87.9
210.12125	5.6
211.13379	5.3
214.67859	3.7
224.79074	3.6
227.12880	19.8
235.08334	4.0
253.09343	30.5
275.20078	6.9
290.44186	3.8
293.21201	100.0
294.21558	11.2
295.22754	11.1
303.14374	4.8
311.22235	4.8
330.44879	3.7
351.07629	3.6
775.41693	37.0
776.42053	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
66.96978	2.1
71.49601	3.5
73.02959	1.9
73.48437	2.0
75.55082	1.9
78.95904	6.1
82.47268	2.7
88.65415	2.3
103.12882	2.3
124.87874	2.4
128.16537	2.2
131.40562	2.0
139.86131	2.2
160.31021	2.3
204.15500	2.3
211.13387	9.8
223.09691	2.3
255.23247	9.9
256.23465	3.1
277.21750	2.8
356.49561	2.4
366.62894	2.3
555.22339	2.7
604.14233	2.3
770.79688	2.5
775.46710	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	775.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79335	0.1
61.98829	100.0
62.98536	0.1
77.06489	0.1
98.20660	0.2
169.31477	0.1
183.71486	0.1
217.20030	0.1
775.49725	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03445	2.7
59.01382	8.3
61.98521	2.1
61.98827	19.0
65.01796	1.1
65.30268	1.0
70.04940	1.0
70.96403	1.0
71.01385	8.6
71.51923	1.1
71.52314	1.5
72.99290	1.5
73.02938	2.1
83.01392	5.6
83.04998	1.9
85.02947	3.9
86.24107	1.2
87.00858	2.8
88.98795	3.1
89.02431	4.2
93.03451	3.9
95.01382	1.7
95.05008	1.6
96.95997	2.2
97.02945	5.3
97.32964	1.1
97.42513	1.1
99.00876	4.5
101.02419	5.1
101.07279	1.0
107.05004	1.1
108.02186	8.9
109.02953	11.1
111.00923	1.8
113.02422	3.9
116.92867	2.4
119.03484	1.8
121.02948	19.7
122.03747	12.9
123.04534	8.5
124.01651	4.2
125.02455	10.6
135.04517	3.4
136.01648	5.1
137.02443	60.5
138.02843	3.2
139.04016	3.3
140.03185	1.3
140.96388	1.3
145.02925	1.8
149.02422	4.3
150.03203	2.2
151.04042	9.1
154.02718	4.2
159.04485	3.9
159.41896	1.3
161.02399	4.2
161.06052	5.9
161.44531	1.2
162.03230	2.7
163.04008	2.7
163.54019	1.2
164.01155	12.5
165.01926	83.8
165.05583	3.4
166.02312	4.3
167.03429	1.4
171.10297	12.5
175.03954	3.5
177.05487	1.8
178.02721	1.4
179.03517	9.9
187.03964	3.6
188.04890	1.9
199.04010	1.3
201.05560	3.5
201.11345	5.1
203.07126	10.0
205.05070	7.5
207.10242	3.5
209.11821	24.4
210.12115	2.8
225.11293	4.1
227.12888	3.9
229.04901	1.7
244.07338	4.5
253.09256	3.0
288.06393	1.9
289.07141	5.3
303.04843	1.9
371.24307	3.2
389.25415	3.1
407.19199	1.7
461.20206	2.0
547.01349	1.3
569.36102	1.3
625.28717	22.2
626.28931	4.3
628.74988	1.1
671.31793	1.6
733.34338	2.0
777.33356	100.0
778.33557	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03430	0.9
58.00611	0.3
58.03791	0.3
59.01369	5.1
61.98536	0.4
61.98829	6.0
63.49308	0.3
69.03458	1.2
70.94149	0.3
70.94482	0.7
71.01373	5.2
73.02941	1.5
80.02672	0.9
81.03448	1.4
83.01373	0.6
83.05022	5.0
84.02177	0.5
85.02950	5.7
87.00879	1.2
89.02444	3.5
95.05024	1.2
96.95998	3.3
97.02932	1.2
97.06579	1.5
101.02422	4.6
107.05032	0.4
109.06566	0.9
111.52814	0.3
113.02448	2.4
116.92826	1.2
119.03497	1.2
119.08637	0.4
123.08208	0.4
125.02399	0.7
125.06069	0.7
125.09682	1.2
127.11266	1.0
133.05061	0.4
135.08157	0.8
137.09694	1.8
143.03491	0.6
145.05003	0.7
155.10747	0.7
161.04523	2.8
163.11267	4.7
165.12828	2.9
167.14453	0.6
169.12366	0.7
171.10263	16.9
172.10583	0.9
177.12845	0.6
181.12375	0.8
183.13910	2.0
185.11765	0.8
191.10709	0.9
193.12321	0.7
197.11763	0.4
199.13345	1.3
201.11328	1.1
207.10179	0.9
209.11809	100.0
210.12151	7.0
211.11464	0.6
211.13383	10.0
212.13683	0.7
221.11874	1.7
225.11279	0.9
227.12878	14.0
228.13168	1.1
229.14423	7.3
230.14673	0.7
235.08185	7.6
236.08279	0.5
239.12862	0.9
253.09258	20.4
254.09596	0.9
269.42188	0.4
289.07297	0.4
291.19644	3.2
309.20673	8.3
310.21042	1.0
327.21738	62.8
328.22092	5.4
349.76602	0.4
373.26324	0.6
382.22165	0.4
445.20761	1.6
463.21713	0.5
519.33209	1.1
537.34381	0.5
545.29535	1.1
563.30664	3.2
765.38312	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	775.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16385	4.1
59.01361	6.6
61.98826	100.0
69.21907	16.6
69.22330	22.1
71.01372	8.4
78.95889	33.1
131.35547	4.4
138.46729	4.1
152.99554	16.3
162.92596	4.7
163.11256	7.5
171.10234	18.2
176.44157	4.4
177.97607	4.8
199.09770	23.3
201.11214	8.0
207.10220	24.9
225.11220	28.1
235.08192	7.1
253.09222	14.0
277.21719	94.6
278.22174	11.8
295.22653	5.3
375.11871	5.5
382.48691	5.3
417.17920	5.9
461.20157	8.3
497.73508	5.2
514.05597	5.1
695.40021	31.2
696.39648	5.7
721.41302	32.6
722.41681	6.5
775.47797	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	775.401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43339	4.0
59.01379	6.8
61.98832	100.0
71.34438	3.7
71.49261	5.8
78.95895	21.9
79.78001	4.4
109.06624	5.2
112.32862	3.7
138.61343	4.2
152.99562	5.9
163.11296	5.0
171.10243	19.9
181.08690	8.6
198.08667	4.1
199.09766	33.6
201.11256	10.2
207.10213	48.4
225.11281	33.4
253.09346	21.5
277.21722	86.6
278.22021	9.6
355.83551	4.2
413.84488	5.0
435.18692	10.0
441.29471	5.4
443.18964	7.9
461.19989	12.6
495.35254	4.9
674.00970	4.5
695.40057	47.6
696.40607	11.6
721.41815	33.7
722.41357	8.3
775.42926	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	773.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.0
61.11216	12.0
61.98828	80.1
71.01380	36.5
71.50128	18.1
78.95899	54.9
87.00918	10.7
88.98802	49.0
89.02459	12.1
109.06583	16.8
125.52405	10.0
141.41556	10.0
151.11322	19.1
152.99564	37.8
163.11363	9.7
165.12766	9.6
169.12314	100.0
171.10271	42.9
181.12346	13.0
183.13928	32.4
207.10321	51.0
209.11848	46.4
225.11340	48.1
227.12892	13.7
235.08316	15.7
253.09299	25.7
283.53595	12.0
291.19620	22.4
293.21307	67.4
295.22812	20.8
309.20651	16.3
449.20209	13.8
461.20190	44.1
532.34900	11.6
569.29572	11.8
657.31927	15.5
663.86896	12.2
737.41162	20.4
773.40051	94.0
774.40491	21.7
777.18878	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	773.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03440	3.8
59.01380	7.7
61.98520	1.4
61.98829	11.7
69.03445	2.2
71.01385	9.7
73.02942	2.5
81.03432	1.0
82.95415	1.1
83.01380	1.5
85.02953	10.0
87.00903	1.0
89.02458	5.1
95.05022	1.0
96.96002	2.5
97.02937	3.6
97.06597	3.0
101.02467	8.4
111.08170	1.6
113.02441	3.8
116.92834	4.3
119.03454	1.0
119.63691	0.8
125.09732	2.3
127.11307	1.4
137.09712	2.3
147.00134	0.9
161.04588	2.3
165.12866	7.4
169.12407	1.0
171.10268	29.4
172.10640	2.6
173.10701	0.9
177.12851	1.2
179.05638	1.4
183.13898	89.9
184.14166	5.3
185.11827	2.8
193.12361	1.7
197.11847	1.9
199.13403	1.5
201.11339	6.0
207.10225	1.1
209.11801	16.9
210.12254	2.2
211.13403	14.9
213.11365	1.3
221.11864	1.7
225.11395	3.4
227.13022	8.1
229.14438	12.3
229.35275	0.9
235.08202	5.9
239.12943	1.2
253.09268	11.0
291.19577	4.6
309.20636	7.6
310.21072	2.6
327.21771	40.5
328.22055	4.7
463.21805	3.4
563.30963	1.9
755.42419	1.4
773.43274	100.0
774.43628	27.1
803.34088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.0
61.98816	4.1
69.03453	3.0
71.18918	3.1
77.23050	1.2
81.03465	7.7
83.01391	11.7
92.06768	1.1
92.41299	1.1
93.03445	2.9
95.01403	1.3
95.05022	3.7
97.02937	9.0
99.04528	2.1
101.37129	1.3
107.05035	2.5
109.02943	21.7
121.02923	6.7
122.03730	4.0
123.04512	11.9
124.01671	1.6
125.02444	52.8
126.02826	2.1
135.04509	3.9
137.02438	100.0
138.02792	5.0
139.03993	4.7
146.03731	11.5
147.04012	1.0
149.02399	4.2
149.06107	1.7
150.03139	4.3
151.03998	11.5
159.04544	6.0
161.02409	2.4
161.06010	6.9
162.03192	3.0
163.00346	1.5
163.03920	1.6
164.01152	19.7
165.01923	55.4
166.02325	2.7
167.02165	2.5
167.03490	32.3
168.03844	2.4
172.05310	3.2
173.06058	11.8
174.03210	7.6
174.06723	5.2
175.03870	3.2
175.07648	21.9
176.04770	3.9
176.07985	2.5
177.01898	8.4
177.05421	1.3
177.09178	1.5
179.03485	18.5
180.04002	1.4
185.06085	1.4
187.03995	5.6
187.07588	5.4
188.04767	5.2
189.05548	1.9
189.09157	5.3
190.02698	3.7
191.03502	2.8
191.07063	2.5
199.07594	2.4
200.04765	4.8
201.05515	3.6
201.09113	7.4
202.06314	3.8
203.07111	18.7
204.04282	1.7
204.07619	1.7
205.04994	7.5
205.08665	4.1
213.05458	1.5
213.09142	1.8
216.07892	2.0
217.08693	23.5
218.08920	1.7
219.06419	1.4
221.08025	2.5
225.05643	2.9
226.06244	2.1
227.07135	3.1
229.08687	21.7
230.09007	2.8
239.07219	2.2
239.10686	3.8
241.08594	3.4
245.08141	9.3
246.08531	2.1
247.09734	10.3
254.09311	1.9
255.10210	3.7
257.11700	2.9
266.09253	1.4
268.07391	2.3
273.11316	2.2
281.11829	7.3
283.09695	3.1
289.07187	39.1
290.07672	2.6
294.08951	3.0
295.09421	1.7
297.11237	4.5
299.12866	6.0
305.11935	1.6
320.06839	1.8
323.12802	19.3
324.13239	2.7
341.10193	2.4
341.14063	3.2
343.11951	5.8
349.10754	3.8
367.11823	73.6
368.12180	12.2
369.12656	2.4
385.12897	73.6
386.13324	12.6
387.14487	34.1
388.14832	4.0
449.02136	1.5
604.09741	1.5
639.82825	1.4
735.49951	1.2
773.32471	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.0
61.98816	4.1
69.03453	3.0
71.18918	3.1
77.23050	1.2
81.03465	7.7
83.01391	11.7
92.06768	1.1
92.41299	1.1
93.03445	2.9
95.01403	1.3
95.05022	3.7
97.02937	9.0
99.04528	2.1
101.37129	1.3
107.05035	2.5
109.02943	21.7
121.02923	6.7
122.03730	4.0
123.04512	11.9
124.01671	1.6
125.02444	52.8
126.02826	2.1
135.04509	3.9
137.02438	100.0
138.02792	5.0
139.03993	4.7
146.03731	11.5
147.04012	1.0
149.02399	4.2
149.06107	1.7
150.03139	4.3
151.03998	11.5
159.04544	6.0
161.02409	2.4
161.06010	6.9
162.03192	3.0
163.00346	1.5
163.03920	1.6
164.01152	19.7
165.01923	55.4
166.02325	2.7
167.02165	2.5
167.03490	32.3
168.03844	2.4
172.05310	3.2
173.06058	11.8
174.03210	7.6
174.06723	5.2
175.03870	3.2
175.07648	21.9
176.04770	3.9
176.07985	2.5
177.01898	8.4
177.05421	1.3
177.09178	1.5
179.03485	18.5
180.04002	1.4
185.06085	1.4
187.03995	5.6
187.07588	5.4
188.04767	5.2
189.05548	1.9
189.09157	5.3
190.02698	3.7
191.03502	2.8
191.07063	2.5
199.07594	2.4
200.04765	4.8
201.05515	3.6
201.09113	7.4
202.06314	3.8
203.07111	18.7
204.04282	1.7
204.07619	1.7
205.04994	7.5
205.08665	4.1
213.05458	1.5
213.09142	1.8
216.07892	2.0
217.08693	23.5
218.08920	1.7
219.06419	1.4
221.08025	2.5
225.05643	2.9
226.06244	2.1
227.07135	3.1
229.08687	21.7
230.09007	2.8
239.07219	2.2
239.10686	3.8
241.08594	3.4
245.08141	9.3
246.08531	2.1
247.09734	10.3
254.09311	1.9
255.10210	3.7
257.11700	2.9
266.09253	1.4
268.07391	2.3
273.11316	2.2
281.11829	7.3
283.09695	3.1
289.07187	39.1
290.07672	2.6
294.08951	3.0
295.09421	1.7
297.11237	4.5
299.12866	6.0
305.11935	1.6
320.06839	1.8
323.12802	19.3
324.13239	2.7
341.10193	2.4
341.14063	3.2
343.11951	5.8
349.10754	3.8
367.11823	73.6
368.12180	12.2
369.12656	2.4
385.12897	73.6
386.13324	12.6
387.14487	34.1
388.14832	4.0
449.02136	1.5
604.09741	1.5
639.82825	1.4
735.49951	1.2
773.32471	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	772.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70602	0.2
59.01382	0.3
61.98828	100.0
68.99554	0.3
70.72949	0.4
71.01376	1.1
78.95897	0.9
110.98560	0.4
112.98541	0.3
121.16086	0.2
125.02406	0.2
125.09734	0.2
151.01317	0.2
168.68320	0.2
171.10263	1.1
183.14052	0.2
197.11850	0.5
201.11452	0.3
207.10309	0.3
209.11855	0.4
211.13377	0.5
225.11320	0.5
229.14378	0.3
235.08212	0.3
247.23964	0.2
253.09375	0.4
291.19644	0.3
292.19995	0.3
293.21088	0.9
294.21417	0.3
295.22943	0.3
309.20758	0.3
327.21881	0.4
329.23523	0.3
405.17874	0.2
693.24420	0.2
772.43848	1.0
773.45935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.2
61.64756	0.6
72.99308	8.0
76.73730	0.5
84.02160	0.9
85.02946	23.0
86.03297	0.7
88.46021	0.5
89.03957	1.1
96.95975	0.6
97.20010	0.7
98.19907	1.1
101.02428	0.7
101.71165	0.6
103.04034	1.0
117.03455	3.8
129.01941	12.2
134.03738	87.9
135.04063	4.3
137.03604	0.6
143.95779	0.5
147.02992	78.7
148.03317	2.5
149.06097	4.4
178.02676	0.8
193.05043	100.0
194.05376	6.7
209.10968	0.5
217.41603	0.5
238.75026	0.7
239.14157	0.6
285.03824	0.7
323.07697	7.5
530.28326	0.6
548.85187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02248	1.6
57.03449	2.3
59.01376	10.3
61.98825	9.8
71.01379	14.2
73.02937	2.7
78.95915	4.1
80.02663	1.8
83.05031	5.9
85.02937	2.8
87.00873	2.4
89.02441	3.2
91.33335	1.5
96.96050	1.8
97.02977	1.8
97.06578	2.5
98.04095	1.8
101.02451	5.6
107.37289	1.7
109.06600	5.2
111.08158	5.2
113.02442	4.7
114.07601	1.9
125.02484	1.8
125.09711	2.9
128.15771	1.6
155.10796	2.2
161.04564	3.7
163.11263	6.6
165.12811	4.8
169.12318	4.2
171.10246	16.0
181.12289	4.3
183.13892	13.6
195.13921	6.3
197.11856	4.6
199.13449	4.7
201.11324	4.4
207.10287	16.6
209.11815	100.0
210.12094	6.1
211.13405	9.1
213.11230	2.2
215.12766	3.0
223.13420	4.8
225.11314	17.2
227.12849	13.2
229.14363	3.8
229.24516	2.2
235.08174	6.2
253.09259	26.0
258.40082	1.8
275.20184	4.7
289.18106	3.2
291.19650	17.0
293.17953	3.9
293.21207	75.6
294.21530	5.6
307.19177	4.0
309.20770	8.5
327.21710	10.4
440.43558	1.7
461.20129	1.9
529.29877	1.9
590.41187	1.9
639.00677	2.1
771.10114	2.0
771.41565	11.7
772.41644	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	771.431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84613	1.7
59.01368	8.1
61.98830	66.3
71.01382	20.1
71.50045	2.4
73.02931	2.0
78.95889	8.1
79.52081	1.9
80.60387	1.7
87.00868	2.2
88.89098	1.8
99.00922	3.0
101.02440	2.7
110.98513	2.7
113.02419	2.3
125.09730	3.5
147.79390	1.9
152.99579	2.3
163.11351	3.0
171.10249	21.0
181.08676	2.4
181.12378	2.3
195.13881	2.5
197.11885	3.4
199.09775	10.3
201.11317	15.8
207.10246	11.2
209.11757	2.2
211.13394	2.5
223.09671	3.2
225.11269	16.4
235.08315	9.4
235.53262	1.8
247.21019	1.7
253.09253	10.6
255.23279	100.0
256.23672	12.6
261.88336	1.8
277.21838	2.2
279.23279	2.4
291.19659	6.9
293.21063	6.1
295.22470	2.7
309.20648	2.8
346.26920	2.1
412.26456	2.2
454.45572	2.0
491.31659	2.3
673.41333	6.1
699.43231	5.2
717.44440	4.8
735.46149	8.5
771.43616	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	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
58.00613	1.1
58.73125	0.9
59.01377	10.9
59.40533	1.1
61.98829	24.0
69.34707	0.9
70.35344	3.5
71.01382	100.0
71.76615	1.0
72.01709	1.5
72.99309	1.1
73.02957	3.4
78.95892	3.4
81.03448	1.3
83.05024	3.0
85.02964	4.2
87.00880	2.5
89.02452	4.8
95.01385	1.5
95.05054	1.5
97.02945	6.6
97.06581	1.3
98.20055	2.0
98.20606	1.6
99.00890	2.4
99.12807	1.1
101.02439	7.3
109.06595	13.9
110.03743	1.1
111.08179	7.2
112.25990	0.9
113.02472	3.5
119.03432	1.2
121.06593	1.1
123.04541	1.2
125.09734	4.6
127.11280	1.5
135.08133	1.8
137.09708	2.3
139.07658	1.1
142.02718	2.1
143.03526	1.7
145.05121	1.2
152.99556	1.5
155.10748	2.6
161.04518	1.7
163.11299	11.2
165.09232	1.1
165.12885	1.3
169.12334	2.1
171.10272	33.9
172.10753	1.9
179.10829	1.5
181.12305	5.4
183.13898	1.2
185.11832	2.9
187.13673	1.0
189.09268	1.3
197.11818	26.2
197.13553	1.7
198.12115	2.5
199.09798	1.7
199.13391	5.0
201.11336	16.4
207.10265	40.5
207.12204	2.4
208.10577	2.2
209.11827	3.9
211.13440	5.9
215.12892	2.9
225.11317	42.8
226.11700	3.3
227.12938	3.1
235.08226	4.6
241.46890	1.1
243.12332	4.2
247.20660	1.8
253.09297	14.9
263.19827	1.0
291.19650	21.4
292.19995	3.7
293.21109	3.1
295.10275	1.5
299.15036	1.5
309.20697	41.2
310.20889	5.8
311.22290	1.4
327.21912	1.8
412.09161	1.1
443.19208	2.7
461.20425	10.7
462.20724	1.9
479.21579	1.4
537.26202	1.1
753.40271	6.2
754.40771	2.0
771.42023	18.3
772.42523	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	769.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01005	5.4
61.98532	8.5
61.98828	100.0
63.99254	4.7
78.95897	18.0
78.98479	4.9
80.96522	5.8
81.62045	5.1
94.96228	4.4
110.98526	11.2
116.32687	4.5
141.35802	4.6
142.67497	5.3
160.36900	5.4
168.10283	4.9
209.11810	16.7
223.13348	7.2
255.23305	22.4
291.19589	20.0
293.21268	10.7
769.42798	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	770.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
61.98829	100.0
67.23353	0.1
73.54592	0.2
78.95918	1.0
93.99123	0.2
110.98561	0.4
167.01195	0.2
197.11897	0.4
207.10190	0.2
209.11917	0.3
211.13434	0.2
225.11385	0.2
255.23376	0.4
267.23224	0.2
277.21793	0.2
278.22183	0.3
286.65262	0.2
291.19824	0.7
293.21274	1.0
295.22818	0.6
311.22455	0.3
375.13266	0.2
460.39948	0.2
509.63123	0.2
592.18567	0.2
722.69995	0.2
770.48981	0.3
771.42224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.6
61.32300	4.2
61.98829	100.0
67.44101	3.7
68.99551	5.7
69.03438	4.0
70.35109	10.2
71.01380	74.9
73.02937	4.5
78.95909	26.6
83.05022	4.7
87.00897	7.3
89.02448	5.5
91.46943	3.7
97.02939	6.3
97.06569	4.3
99.00880	4.6
101.02448	10.0
109.06565	11.2
111.08157	5.8
113.02479	4.7
116.92893	12.4
123.04542	5.5
125.09739	6.3
127.46973	4.3
152.99562	14.9
163.11259	10.2
169.12352	6.1
170.63100	4.6
171.10248	45.0
172.10564	6.0
181.12308	8.7
183.13899	7.5
185.11833	5.3
197.11853	16.0
199.13365	17.3
201.11325	14.6
207.10255	35.9
209.11838	20.9
210.12128	4.8
211.13371	34.8
223.13406	7.7
225.11311	35.1
227.12878	8.8
235.08182	10.2
253.09276	19.2
291.19656	31.8
293.21326	26.9
294.21686	4.6
309.20792	25.3
327.21783	13.1
332.68671	4.4
341.23337	4.6
377.34930	4.2
477.22607	5.7
483.14050	4.3
512.65228	4.3
535.11401	4.4
581.47998	3.9
607.67688	4.6
612.70636	4.0
771.43750	39.0
772.43469	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	769.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15160	3.6
56.60303	3.0
59.01390	3.0
60.41623	3.2
61.98830	100.0
69.69685	3.3
78.95912	13.9
98.19898	10.0
110.05121	3.4
136.98451	3.4
145.19585	3.2
152.99536	4.5
209.11899	15.9
227.12540	3.5
255.23317	21.9
256.23828	3.3
277.21582	4.9
291.19620	5.7
769.42151	11.6
770.45459	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	769.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01378	5.6
61.98835	13.9
69.03472	5.2
71.01374	8.4
71.05023	1.4
73.02940	1.1
83.01396	1.4
83.05025	1.5
85.02936	3.4
87.00891	1.6
89.02454	2.8
90.92798	1.0
95.01385	1.1
95.05051	1.0
96.96054	1.0
97.02922	1.6
97.06562	1.9
99.00875	1.6
101.02452	5.2
103.62841	0.9
109.06553	1.6
111.08145	5.3
113.02456	2.0
119.03472	0.9
123.08154	1.6
125.02406	1.1
125.09706	3.6
137.09752	1.2
143.03459	1.3
151.11290	3.7
153.12843	1.6
161.04535	2.1
161.09729	3.8
163.11298	2.0
164.11754	1.0
165.12881	2.1
169.12285	3.6
171.10280	10.4
179.10812	8.3
181.12337	3.9
183.13863	2.7
185.11780	1.3
195.13841	1.3
197.11826	79.1
198.12202	5.7
199.13359	2.6
201.11328	2.2
207.10248	5.6
209.11830	7.8
211.13365	4.5
223.09770	3.1
223.13350	5.0
225.11333	9.1
227.12910	2.6
235.08208	3.4
241.10851	3.3
243.12311	2.5
253.09247	7.3
263.20200	1.3
289.18124	2.1
291.19614	5.0
293.21204	4.0
305.17523	1.1
307.19049	2.1
309.20706	8.5
310.20966	1.3
327.21741	3.3
340.65030	1.2
459.18756	1.4
461.20306	2.0
477.19904	1.5
493.42249	0.9
671.32623	1.3
751.40033	1.7
769.40155	100.0
770.40485	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	769.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03447	1.9
59.01372	9.8
60.51403	0.8
61.64615	0.9
61.98829	25.5
69.03454	5.1
71.01387	10.3
71.05011	2.6
73.02930	2.2
77.75311	0.9
83.01392	1.0
83.05008	2.1
85.02948	4.1
89.02418	3.9
89.05341	0.8
95.01393	1.0
97.02946	2.8
97.06577	3.1
98.20661	2.2
99.00858	1.8
101.02434	5.6
109.06593	2.5
111.08128	3.5
113.02428	3.2
123.08122	1.7
125.02370	1.0
125.09718	4.6
137.09659	1.4
145.05060	1.3
151.11255	3.6
153.12883	2.2
161.04520	2.0
161.09683	3.5
162.84381	0.8
163.11292	2.0
165.12834	1.1
169.12289	2.9
171.10287	14.5
175.36191	0.8
179.10779	8.5
181.12396	2.2
183.13902	1.9
185.11853	0.9
191.06940	0.8
193.12190	1.0
195.10258	0.9
195.13876	1.6
196.12894	0.9
197.11832	100.0
198.12169	5.9
199.13362	1.3
201.11267	2.3
205.12277	1.3
207.10219	3.3
209.11838	12.9
211.13303	5.2
223.09714	4.0
223.13341	7.5
225.11331	6.6
227.12898	2.1
229.14822	1.2
235.08232	3.4
235.13478	1.0
241.10789	4.0
253.09308	9.7
257.13889	1.3
263.20120	1.0
287.16452	0.9
289.18045	3.6
291.19778	4.8
293.21182	3.6
305.17621	1.3
307.19189	3.7
309.20630	7.3
327.21689	7.0
477.19681	1.7
751.39807	2.5
769.40106	97.4
770.40411	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03445	2.1
59.01102	0.9
59.01378	9.9
61.98821	3.2
63.04070	0.4
66.16480	0.5
69.03455	3.1
69.26924	3.5
71.01377	7.8
71.05021	0.9
72.99325	0.5
73.02963	2.2
76.93768	0.4
81.03467	0.6
83.01387	1.4
83.05012	1.2
85.02947	7.9
85.06596	0.7
87.00875	2.4
89.02448	4.5
91.04040	0.5
93.03468	0.7
95.01369	0.7
95.05023	1.0
97.02958	2.1
97.06601	2.5
98.20675	1.0
101.02453	6.6
107.05058	0.8
109.06576	0.8
113.02438	3.7
119.03516	1.2
125.09740	1.4
127.05957	0.6
127.11309	1.2
133.05060	0.7
137.09712	2.7
143.03517	0.6
145.05096	1.5
149.09738	0.6
155.10878	0.6
157.05206	0.5
161.04550	3.2
165.12837	0.7
167.10789	3.7
171.10269	25.4
172.10683	1.3
177.12886	0.7
179.05606	0.8
179.10840	1.3
179.14417	3.8
180.14699	0.5
183.13878	2.9
185.11813	0.8
195.13921	11.9
196.14236	0.7
197.11790	2.4
198.12148	0.6
201.11304	1.7
205.12341	9.6
209.11838	3.2
211.13390	11.3
221.11836	1.6
223.13391	100.0
224.13739	6.6
225.11412	0.9
229.14427	7.9
235.08235	15.5
236.08534	0.7
239.12909	2.5
253.09291	26.8
253.32100	0.5
254.09633	1.6
274.81757	0.5
289.18103	1.1
291.19711	4.2
293.21326	0.8
304.03970	0.5
305.17593	0.6
307.19119	0.8
309.20712	12.0
310.21039	0.8
327.21750	84.3
328.22116	9.0
352.86151	0.5
402.27164	0.6
459.22379	15.3
460.22488	2.3
531.49939	0.6
533.34979	2.6
545.29303	3.2
563.30835	4.1
564.31158	1.1
769.40869	3.8
770.41614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.5
61.98830	100.0
63.14390	2.6
65.46822	3.1
71.01387	12.7
78.95904	6.5
94.00007	2.5
101.02477	4.0
121.02930	3.4
165.52444	2.9
171.10275	21.9
180.49213	2.7
185.11804	5.0
196.79305	2.7
197.11826	13.6
199.13516	2.8
201.11320	4.3
207.10225	4.9
209.11797	20.8
211.13345	5.2
223.09787	8.5
223.13371	24.7
225.11295	6.7
227.12758	4.5
235.08197	5.9
246.63638	2.8
253.09277	9.4
253.21678	6.7
267.19522	4.6
277.21777	9.8
289.18341	3.7
291.19690	32.7
292.20120	4.3
293.21268	4.1
309.20731	13.0
339.24783	3.4
459.22925	2.9
514.70752	3.5
715.40582	3.5
733.41431	3.9
769.41870	16.7
770.40466	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	769.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87453	0.4
59.01379	100.0
59.52599	0.5
60.01723	2.1
60.27206	0.5
61.98830	16.1
82.40926	0.4
87.24438	0.4
115.02505	7.6
116.02605	0.9
117.00444	6.7
117.02275	1.4
118.00560	0.9
119.00198	1.0
141.00452	0.6
156.99944	0.5
157.03580	4.7
158.03639	0.5
159.01492	79.3
160.01616	12.2
161.01215	11.0
161.98955	3.2
186.14520	0.4
201.02545	51.9
202.02686	7.8
203.02278	5.2
204.00000	1.4
217.00551	0.8
259.01767	2.2
260.01624	1.2
261.01425	1.2
269.56363	0.5
301.02652	70.0
302.02814	26.3
303.02487	32.5
304.00079	8.5
304.02850	2.1
343.03696	15.6
344.03827	3.4
345.03568	1.7
346.01160	0.5
390.81693	0.5
469.46106	0.5
485.04617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	15.6
69.96233	0.3
69.96643	0.7
87.00868	0.5
88.00402	1.6
88.98802	100.0
89.02439	3.9
89.99136	0.9
107.30139	0.2
109.00627	0.2
122.26698	0.2
125.02408	0.2
178.19864	0.2
198.84570	0.2
268.14694	0.2
341.26901	0.2
459.81119	0.2
615.20428	0.2
677.49432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01378	0.4
61.98830	100.0
62.43901	0.2
62.98527	0.3
62.99273	0.2
63.99243	0.3
65.97536	0.2
68.66389	0.2
68.98431	0.2
71.01397	0.7
78.95921	0.3
85.02960	0.2
88.98795	0.3
96.96034	0.7
97.02963	0.2
101.02448	0.2
101.40977	0.2
108.35812	0.2
109.02969	0.3
109.06586	0.2
119.49323	0.2
123.04502	0.2
125.02450	1.3
135.08192	0.3
137.02481	0.7
149.09804	0.2
151.04001	0.4
161.02403	0.2
163.11298	0.3
165.01988	0.6
171.10234	1.1
177.68349	0.2
188.04790	0.2
201.11346	0.3
207.10318	0.6
209.11829	1.0
211.13435	0.6
225.11302	1.3
227.12910	0.3
253.09370	0.3
255.03111	0.2
289.07272	0.7
289.18063	0.5
305.17743	0.2
307.19290	0.3
325.20187	0.2
604.31323	0.2
607.29602	0.2
673.34399	0.5
717.89453	0.2
768.38568	0.3
769.35608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
58.00644	1.2
59.01377	15.9
61.98830	9.8
69.42709	8.6
71.01377	7.9
72.42547	1.2
74.21846	1.2
80.37196	1.2
87.00858	2.2
88.98781	4.1
89.02445	6.0
93.11950	1.2
95.93758	1.2
99.87128	1.3
101.02472	6.1
113.02464	2.0
125.02438	2.4
137.02467	2.1
155.77695	1.3
161.04578	2.3
165.12846	12.1
168.48799	1.3
169.01436	2.6
169.55275	1.2
171.10225	1.2
183.13898	82.0
184.14230	4.8
209.11836	5.6
211.13434	1.8
223.13330	1.7
223.16995	9.9
227.12839	5.5
235.08188	2.3
239.16505	1.4
251.16487	9.4
253.09290	11.9
253.14304	1.6
256.16522	1.8
277.21634	1.7
291.19687	3.2
293.21201	1.9
303.23386	8.1
309.20724	2.3
321.24332	66.8
322.24673	6.0
341.23236	1.8
445.20874	1.6
484.30200	1.6
674.63959	1.4
767.45898	100.0
768.46124	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03448	3.9
58.00599	0.9
58.77747	0.8
59.01103	1.3
59.01381	15.1
61.98831	5.6
65.03957	1.1
69.03446	4.0
71.01380	12.7
71.05044	1.5
71.80360	0.9
72.99273	1.4
73.02946	3.7
80.02696	1.5
81.03465	3.4
83.01381	2.5
83.05033	7.1
85.02959	7.1
85.06565	1.1
86.64944	0.8
87.00867	3.4
89.02433	6.2
90.38774	1.0
95.01398	2.8
95.05029	4.0
97.02950	7.9
97.06617	3.3
98.19881	3.0
101.02438	7.9
107.05048	1.4
109.06584	4.1
110.03731	3.5
111.08144	1.2
113.02443	5.5
119.03485	1.3
123.00851	0.9
123.04481	2.2
123.08184	2.2
125.02447	2.3
125.09746	6.1
128.26218	0.8
137.09717	1.9
140.70570	1.1
142.02762	1.2
145.05104	1.4
149.09673	1.8
151.11238	1.2
161.04573	4.2
163.11273	3.3
165.12828	3.7
167.10774	3.9
169.01337	2.1
169.12280	0.9
171.10303	6.2
175.11284	1.5
177.12833	8.5
179.05539	1.6
179.10774	2.1
179.14401	3.0
179.52562	0.9
181.12320	2.4
183.13904	1.9
185.11801	3.3
191.14346	2.1
193.12305	2.0
195.13943	9.9
195.24620	1.0
196.14214	0.9
197.11845	5.9
199.13300	0.9
203.10689	3.4
205.12341	6.1
207.10229	1.3
209.11821	7.8
211.13373	7.6
221.11818	63.4
222.12161	4.9
223.13399	49.5
223.15614	2.5
224.13710	5.5
225.11293	2.4
227.12910	4.9
235.08266	5.6
237.11345	2.3
237.14940	10.1
239.12886	100.0
240.13196	7.4
245.19043	3.9
247.20642	2.3
251.12845	1.1
253.09280	22.8
254.09749	1.3
255.15988	1.4
273.18704	1.6
289.18066	10.9
290.18430	2.3
291.19626	29.3
292.19965	4.1
293.21115	7.3
307.19113	7.9
309.20715	39.0
310.21082	5.2
313.16498	1.2
317.03033	1.0
321.24338	1.4
356.48697	1.2
393.94186	1.0
449.07437	1.1
457.20703	5.2
475.21857	13.0
476.22302	2.2
678.01569	1.1
742.28259	0.9
767.42023	9.5
768.41998	3.2
779.96210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.99264	0.2
69.32159	0.1
69.32432	1.1
85.99015	0.1
88.98811	0.3
89.02433	0.1
98.20641	0.3
104.90623	0.1
116.92853	0.4
123.00924	0.1
125.02476	0.2
154.81743	0.1
155.29147	0.1
209.11806	0.6
210.12219	0.3
211.13533	0.2
302.22324	0.1
335.28229	0.1
380.58231	0.1
766.36194	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	766.459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01384	1.6
73.02962	0.6
78.95912	1.2
78.98592	1.7
79.95725	3.4
80.96518	18.1
80.98207	0.6
81.96477	0.6
82.96095	1.3
87.00880	0.6
94.98074	4.1
108.40858	0.6
116.94376	0.6
134.97594	1.7
148.99144	1.0
151.30873	0.7
152.98628	1.9
164.98639	3.1
168.85579	0.5
189.21501	0.6
206.99886	0.6
225.00648	3.5
226.01086	0.9
229.11803	0.8
267.39880	0.6
291.83176	0.6
405.29694	0.7
766.41138	23.4
767.41516	6.9
776.91345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02774	1.1
57.03442	2.4
58.00594	1.1
59.01379	13.7
61.98823	7.1
65.03950	1.4
69.03459	2.5
71.01386	11.5
71.05020	1.3
71.50254	1.5
72.99311	1.8
73.02943	2.2
81.03458	1.6
83.01399	1.9
83.05024	3.8
85.02950	3.9
87.00879	2.6
88.98804	1.2
89.02441	5.1
93.03427	1.1
95.05039	2.2
97.02949	9.0
97.06548	2.0
101.02441	7.8
107.16447	1.0
109.06593	2.0
111.08166	8.4
113.02451	4.1
123.01033	1.0
123.08176	1.3
125.02449	3.2
125.09757	1.3
125.29348	1.2
127.07624	1.4
133.05045	1.1
137.09746	1.2
149.09740	2.4
151.11290	2.2
155.10742	1.3
157.08717	11.3
159.11813	2.7
161.04556	2.7
161.09808	1.1
163.11307	1.4
165.12830	3.1
167.10703	1.7
169.01488	2.1
169.12390	2.5
171.10306	9.4
175.11281	2.4
177.12846	19.8
179.10695	2.7
179.14366	1.5
181.12440	1.6
185.11784	2.0
187.09796	2.7
195.13911	98.8
196.14215	5.6
197.11838	23.2
198.12215	1.4
199.09721	1.2
199.13368	1.5
201.11317	2.2
203.10745	1.7
207.10376	1.4
209.11868	9.3
211.13391	5.7
219.10254	3.1
221.11807	14.4
223.13400	18.0
235.08218	5.9
237.11317	6.5
239.12886	11.0
240.13333	1.5
245.19067	1.5
253.09274	13.4
255.12332	1.7
289.18076	2.7
291.19675	12.8
292.19955	1.3
293.21246	19.0
294.21536	2.0
307.19135	1.8
307.79965	1.3
309.20691	20.0
310.21057	2.2
325.20172	6.8
327.21692	1.4
401.33316	1.2
449.07269	1.6
457.20889	2.5
459.22400	1.4
473.20471	1.5
475.21503	7.5
476.22491	1.7
532.35663	1.1
749.40387	2.7
767.42139	100.0
768.42474	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	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.9
59.23774	0.5
61.82815	0.5
61.98842	0.9
63.96222	1.5
69.03485	0.5
71.01379	8.2
73.02937	2.2
73.39655	0.5
78.95888	0.6
78.98582	5.2
79.95734	13.3
80.96514	82.2
81.03426	0.7
87.00865	2.4
94.97474	1.2
94.98084	20.1
96.95998	1.1
97.02947	2.1
99.00862	0.9
101.02446	3.0
106.98077	3.7
113.02428	0.9
122.97566	3.5
125.02432	4.0
127.04007	1.6
134.97583	5.9
136.99129	1.6
139.71143	0.6
148.49318	0.5
148.99142	6.4
152.98624	7.7
159.04552	0.5
164.97308	1.1
164.98622	15.9
183.13875	3.4
204.27473	0.6
206.99637	3.3
211.13423	0.6
225.00742	24.5
229.14484	0.6
255.23317	2.4
322.04477	0.6
509.16748	2.8
510.17065	0.9
524.50037	0.6
537.27356	1.3
765.40973	100.0
766.41333	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	765.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.9
60.99308	0.3
61.98827	6.1
70.76884	0.2
71.01373	1.8
72.99287	0.6
73.51839	0.2
83.05037	0.4
85.02918	0.3
87.00886	0.3
88.98799	0.9
89.02451	1.0
95.01385	0.3
97.06615	0.3
101.02457	1.2
109.06545	0.2
113.02422	0.4
119.03490	0.4
136.60738	0.3
161.04608	0.6
162.94205	0.3
165.12769	0.4
167.10750	0.4
167.14433	0.3
171.10298	0.9
183.13902	6.1
184.14136	0.6
193.12267	1.3
195.13861	0.6
209.11774	0.5
211.13382	100.0
212.13719	6.6
221.11949	0.3
223.13310	1.2
229.41380	0.3
231.48543	0.3
235.08124	2.0
239.12930	0.4
253.09261	3.2
261.82614	0.3
287.16592	0.3
289.17926	1.2
290.18365	0.3
341.44101	0.3
387.25232	0.5
388.38617	0.3
405.26291	0.3
429.21274	2.0
434.52612	0.3
441.39221	0.3
447.22342	10.4
448.22552	1.4
597.32758	0.5
623.34412	2.8
624.34790	0.8
641.35474	3.1
642.35876	0.8
765.40472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
57.73197	0.8
61.98830	100.0
67.01864	0.7
67.31980	0.7
71.01383	1.0
71.15716	0.6
71.52088	1.1
73.40308	0.7
78.74074	0.8
81.03466	4.3
81.58125	0.6
83.01403	1.9
83.05041	1.4
88.98811	2.3
96.96065	0.9
109.02962	0.8
116.92837	1.1
122.03732	1.4
123.04548	1.3
125.02454	14.8
129.09216	1.0
137.02443	1.3
149.02432	1.5
151.00369	0.9
151.03995	1.3
151.78261	0.7
161.02428	1.1
163.04068	1.2
169.01450	1.1
185.11906	0.8
209.11880	2.4
221.58493	0.8
289.07535	0.8
317.66019	0.9
329.14893	0.7
351.25403	5.3
395.24365	91.0
396.24704	11.8
396.29443	1.3
415.14102	1.0
597.21350	1.0
703.35480	34.6
704.35938	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	765.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
60.99302	0.6
61.98830	100.0
64.44164	0.2
64.88788	0.3
70.63185	0.3
71.01388	0.9
71.51389	0.4
72.99322	0.7
75.00876	0.9
77.57805	0.3
83.05003	0.7
88.98795	2.8
89.02456	0.7
95.05023	0.3
96.96021	1.0
101.02459	0.5
113.02476	0.3
113.60007	0.3
114.01668	0.3
119.05023	0.5
123.72984	0.3
125.02468	0.7
163.04039	0.4
163.11290	0.5
171.10336	0.8
177.58640	0.3
201.11432	0.4
207.10262	0.4
209.11815	23.5
210.12195	1.5
211.13370	0.8
225.11339	0.5
227.12889	3.2
235.08289	0.6
253.09224	1.4
289.07211	0.3
406.33841	0.3
416.93085	0.3
445.21072	0.8
637.32751	0.4
765.43066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46877	1.3
57.03444	3.8
59.01371	12.5
61.98832	29.4
66.69268	1.2
67.01868	1.4
68.99820	1.9
69.03458	4.4
71.01392	7.7
71.05016	1.8
71.50491	1.8
73.02956	2.5
73.51782	1.4
81.03468	1.8
83.05017	3.7
85.02948	6.2
87.00877	2.7
89.02445	6.5
93.03430	2.2
95.01408	2.3
95.05047	3.2
97.02979	2.3
101.02460	7.3
106.04243	2.7
107.05016	1.9
108.44665	1.5
109.06604	6.9
111.04494	2.7
113.02456	4.2
119.03509	1.8
125.02406	3.7
145.04999	1.8
149.09695	2.0
150.90555	1.3
151.04062	1.4
161.04550	2.1
163.03934	1.7
167.10751	4.0
171.10147	1.7
177.12837	8.9
179.05493	1.5
179.10768	2.3
179.14331	4.6
189.12857	1.8
191.14359	2.9
195.13908	26.7
196.14301	1.7
203.10806	6.7
205.12334	12.8
209.11896	2.7
209.15590	1.5
211.13312	3.0
221.11833	10.2
221.15366	3.0
223.13388	100.0
224.13641	7.5
229.12337	2.4
235.08160	5.6
235.13383	14.0
237.14969	8.0
239.12852	9.0
247.13385	19.2
248.13571	2.0
253.09232	13.4
253.14531	1.8
261.18494	6.0
265.14423	8.6
279.19666	1.8
287.16553	7.8
289.18121	12.2
290.18369	2.0
291.19485	2.0
293.21246	1.7
305.17557	28.2
306.17844	3.0
307.19293	2.9
323.18716	3.4
385.23441	1.5
453.25946	1.6
457.20651	2.1
459.22296	5.6
471.22198	2.2
476.48944	1.8
483.22156	1.4
501.23282	1.8
541.26465	3.6
621.31921	1.7
663.33472	1.6
677.35254	3.2
707.36481	4.6
747.39893	3.7
765.40332	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	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01041	1.0
58.81580	0.9
61.98838	6.6
63.96223	1.5
69.03430	1.7
69.50185	0.9
71.01374	9.4
71.24392	2.1
73.02946	2.0
78.95895	2.9
78.98592	8.0
79.95739	13.4
80.96519	74.0
85.02948	3.0
87.00878	3.0
94.98080	17.0
97.02955	2.9
97.89308	0.9
101.02417	2.8
106.98094	3.3
121.09110	1.0
122.97585	3.7
125.02422	3.1
127.04006	1.4
131.51326	0.9
134.97601	6.2
148.99113	7.3
152.98619	7.3
164.98611	12.5
167.00294	1.1
183.13898	3.2
206.99606	2.9
225.00746	24.4
255.23219	3.2
321.66025	1.2
509.17017	1.8
521.71393	1.4
670.91736	1.0
735.55939	1.5
765.40973	100.0
766.27356	1.7
766.41321	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70969	0.1
60.26842	0.1
61.98829	100.0
62.60907	0.1
63.15058	0.1
71.01380	0.2
79.95721	0.2
80.96516	0.9
84.54111	0.1
94.98097	0.1
141.26248	0.1
141.41736	0.1
164.98651	0.2
223.13394	0.2
225.00694	0.3
255.23325	0.2
764.39526	0.2
765.40802	1.2
784.71417	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14463	0.2
61.98829	100.0
62.98535	0.3
62.99248	0.2
63.99252	0.4
71.26471	0.3
73.87841	0.1
78.98609	0.1
79.84774	0.1
79.95727	0.3
80.96516	2.0
94.98060	0.3
96.76932	0.1
122.97570	0.3
135.59430	0.1
148.99152	0.2
149.95203	0.2
152.98618	0.2
164.98634	0.4
225.00830	0.4
255.23381	0.2
355.88382	0.2
517.22284	0.2
569.68195	0.2
622.24963	0.2
740.36621	0.2
764.39545	0.9
765.40662	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	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97452	0.8
57.03437	1.7
59.01375	9.1
60.99297	3.5
61.98828	100.0
69.03455	1.2
69.21260	0.7
71.01384	10.8
72.99300	2.5
73.02954	1.8
75.00871	2.3
81.03447	1.0
83.01390	1.7
85.02939	2.4
87.00890	2.3
88.98807	19.6
89.02441	8.2
93.13520	0.9
96.96025	1.8
97.02955	2.5
97.06584	1.7
98.20648	2.1
101.02438	7.2
111.92210	0.7
113.02426	3.6
119.03404	0.8
119.05022	2.1
121.02999	1.0
123.04531	2.1
125.02407	4.3
125.09726	2.0
126.77252	0.8
137.09738	0.9
143.03513	1.0
161.04543	1.5
163.04021	1.1
163.11293	2.6
171.10204	1.8
179.05577	2.1
185.11842	2.9
191.14388	1.2
199.88646	0.8
207.10184	1.2
209.11787	12.1
211.13359	2.5
225.11278	1.5
227.12822	1.1
235.08141	3.5
245.19025	4.7
289.18069	20.4
290.18393	1.7
307.19147	23.2
308.19510	3.0
397.13510	14.8
398.13272	0.9
415.14554	14.1
416.14774	1.1
453.55371	1.0
489.09857	0.9
545.17267	1.1
607.25641	1.1
668.12415	1.1
705.33508	2.4
725.76202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	25.8
63.82825	1.1
63.96216	1.3
71.01376	8.5
78.98589	6.1
79.95736	12.8
80.60890	1.0
80.96516	85.6
85.02940	3.2
87.00842	4.1
93.95348	1.1
94.98083	19.0
97.02946	1.9
99.00893	1.7
101.02428	4.0
103.70120	1.1
106.98076	2.8
112.21222	1.1
117.46072	1.0
122.97565	4.6
125.02409	4.1
130.36601	1.1
134.97574	4.4
136.99152	1.7
148.99129	7.3
152.98625	5.9
164.98631	15.5
184.03732	1.1
184.09149	1.1
206.99683	3.6
225.00754	22.8
225.11397	1.3
255.23242	4.3
271.71613	1.1
287.82669	1.2
293.83563	1.1
507.15390	3.1
524.03711	1.1
537.27344	1.6
763.39355	100.0
764.39874	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	763.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89715	0.5
57.03429	1.1
58.00604	0.5
59.01377	5.8
61.98824	4.6
64.80547	0.5
69.03463	1.7
71.01387	5.6
71.49667	0.8
73.02945	0.7
83.01382	0.7
83.05051	0.6
85.02948	1.5
87.00872	1.8
89.02447	3.9
101.02433	3.7
111.08191	1.0
113.02456	2.1
113.09723	0.8
119.03526	0.6
121.02924	0.6
145.05135	0.8
161.04565	2.6
167.10809	1.0
177.12766	1.3
179.05623	1.1
179.10870	0.6
179.14403	1.5
187.98877	0.5
192.09731	0.6
195.13887	12.4
196.14357	1.0
205.12328	3.9
207.13870	2.3
207.17520	4.5
223.13406	43.4
223.16914	17.9
224.13757	3.3
224.17435	1.6
233.15465	10.2
234.15547	0.8
235.08223	4.1
249.14946	0.6
251.16508	100.0
252.16832	9.8
253.09264	23.0
253.17938	0.7
254.09569	0.8
256.16757	0.6
275.20163	2.9
284.16275	1.0
293.21222	50.0
294.21564	6.2
303.23236	3.7
321.24319	50.8
322.24707	7.7
459.22272	2.2
460.23053	0.6
462.22516	0.6
487.25433	12.6
488.25760	2.1
526.46649	0.6
557.33221	0.7
763.46344	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	764.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.1
57.33819	0.1
61.98829	100.0
71.01403	0.1
71.71866	0.1
75.00879	0.2
88.98808	0.3
104.88518	0.1
125.02527	0.2
164.06216	0.1
209.11848	0.2
211.13472	0.4
213.41370	0.1
218.23915	0.1
221.11714	0.1
249.92966	0.1
320.35764	0.1
370.78778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14774	0.4
59.01378	1.2
61.98828	100.0
64.16177	0.4
64.97756	0.3
70.98048	1.1
71.01385	1.6
73.02959	0.5
78.98602	0.7
79.95724	2.3
80.96516	11.4
87.00896	0.9
89.02451	0.7
94.98088	2.3
101.02434	1.3
102.86122	0.4
106.98051	0.7
122.97609	0.5
125.02386	0.5
134.97614	0.7
135.65106	0.4
148.99202	0.7
152.98627	0.7
156.37474	0.5
164.98598	2.5
165.12868	2.5
171.99271	0.4
183.13889	13.6
184.14272	0.9
203.20561	0.5
206.99712	0.6
209.11765	0.8
225.00734	4.0
235.08267	0.6
253.09387	1.2
255.23285	26.0
256.23743	1.8
431.94531	0.4
437.87253	0.6
523.37769	0.4
701.44714	33.3
702.45135	9.8
764.39221	2.4
765.40839	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74133	1.2
59.01371	1.7
60.97348	1.4
60.99306	16.4
61.98829	73.5
64.98212	1.2
66.91848	1.1
71.49752	2.2
78.95923	2.8
85.47891	1.2
87.00845	1.3
87.13260	1.1
88.00387	3.2
88.98802	100.0
89.02447	18.0
92.78995	1.2
94.91499	1.2
96.96009	41.8
96.96963	2.7
99.40446	1.3
101.15955	1.3
104.19615	1.3
171.10239	1.8
211.13110	1.7
255.23271	1.3
390.81616	1.3
554.71698	1.3
638.22864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56731	3.6
56.04016	4.6
59.01371	8.4
60.99286	16.9
61.98826	88.4
68.99567	13.3
71.01377	8.7
71.51311	4.0
72.99303	4.1
83.05019	8.9
84.03999	3.9
87.00863	5.6
88.98801	92.3
89.02452	10.4
92.54047	4.6
95.01351	3.7
96.96011	9.2
97.02930	5.7
99.00894	6.9
101.02436	7.6
107.02022	3.7
112.98553	17.1
116.92858	5.1
117.03499	4.4
119.05013	40.5
123.00900	6.8
123.04524	5.4
123.10315	3.8
125.02431	19.1
125.09686	5.4
134.03745	3.5
137.02437	9.0
145.02930	8.7
151.04012	4.8
161.02415	6.2
163.03993	34.9
163.11290	7.2
165.01859	3.7
169.01366	10.1
171.10214	10.4
181.12329	12.2
204.84322	3.9
207.10231	26.6
209.11812	100.0
210.12166	7.7
211.13365	17.7
225.11324	60.5
227.12804	14.7
235.08208	5.7
243.12341	5.0
250.88130	3.6
253.09160	4.6
289.06982	5.3
393.80832	3.9
397.13617	7.3
457.16821	3.8
461.20200	20.3
462.20621	4.0
545.18079	10.5
609.33575	5.9
653.31702	24.6
671.32611	17.4
672.32861	5.1
727.22943	8.6
763.18378	6.9
763.30048	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	762.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.2
61.98829	100.0
65.03716	0.6
69.22578	6.4
71.01385	2.0
76.58572	0.6
78.95927	1.2
83.20090	0.8
86.11359	0.6
89.02454	0.8
98.20732	1.3
109.58440	0.7
139.51152	0.7
164.65971	0.7
165.12880	1.9
175.14787	0.7
175.21198	0.7
183.13885	13.4
185.11874	1.1
191.77055	0.6
192.27040	0.8
209.11940	0.8
224.66350	0.8
227.12910	3.0
228.13228	1.0
253.09164	0.9
253.21721	21.9
254.22108	2.5
255.23236	7.8
256.23605	4.3
495.71857	0.7
508.62976	0.8
690.58820	0.9
699.43195	26.3
700.43433	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	763.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
60.99305	15.7
61.98827	14.3
71.01364	1.4
72.30589	0.5
73.83329	0.5
78.36844	0.7
83.01389	0.9
83.68668	0.5
87.00878	0.9
88.00449	0.6
88.98806	100.0
89.02430	3.4
89.99168	1.3
93.03442	1.5
96.55648	0.5
96.96037	1.2
100.32894	0.6
105.01917	0.7
108.02171	0.7
109.02953	1.2
121.02943	0.8
125.02465	1.5
136.01671	0.8
137.02432	4.9
140.03023	0.6
149.02431	0.6
151.04054	1.5
161.04585	0.6
161.06084	0.7
162.03267	0.7
163.04041	1.0
164.01105	0.6
165.01888	2.4
165.05630	0.9
170.35643	0.6
171.10315	1.2
179.03473	1.7
203.07034	0.6
206.39658	0.6
207.10304	0.7
209.11804	3.1
211.13379	1.9
242.70235	0.6
247.16193	0.7
253.09219	0.5
284.43307	0.6
346.74915	0.7
397.13751	0.7
461.32568	0.8
643.27142	0.7
763.29303	4.4
764.30255	1.4
789.86816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.94349	0.2
78.95915	0.4
94.03556	0.2
96.50385	0.2
98.19869	0.6
98.20567	1.2
146.04802	0.2
154.85553	0.2
219.29930	0.2
255.23283	0.5
618.53021	0.2
647.51733	0.3
762.47070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44865	0.1
61.98828	100.0
71.01414	0.1
78.98604	0.1
79.95739	0.1
80.96510	0.9
82.98289	0.1
94.98123	0.3
98.20645	0.3
118.95383	0.1
130.13603	0.1
145.28720	0.1
152.56815	0.1
164.98601	0.2
189.77475	0.1
202.98720	0.1
209.11870	0.2
225.00826	0.2
255.23381	0.5
256.23703	0.4
538.74243	0.1
763.39349	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	762.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.2
61.98829	100.0
71.49780	0.3
78.95921	0.3
108.99171	0.2
111.36944	0.2
116.50928	0.2
240.21524	0.2
255.23361	0.3
648.39911	0.2
696.63672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56901	0.5
61.98817	1.1
72.19059	0.5
78.95904	25.2
79.95724	0.8
80.96539	2.6
83.63948	0.4
94.98109	0.7
96.96953	1.9
112.38782	0.5
113.09715	1.1
133.27379	0.5
152.99591	25.4
153.99881	0.5
166.76149	0.5
171.00665	3.8
184.30627	0.5
195.13911	6.5
195.86925	0.4
196.14310	0.7
209.02190	0.8
227.03271	0.9
253.21797	0.7
255.23286	100.0
256.23621	10.3
257.23764	0.8
277.21637	4.9
278.21991	0.7
281.25009	0.6
293.21222	0.5
294.21686	0.6
295.22769	25.1
296.23077	3.4
398.68527	0.5
431.21906	4.1
465.26602	0.6
505.25739	3.5
523.27069	2.3
524.26910	1.7
525.27228	1.9
761.49823	58.4
762.50244	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	762.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.91437	1.2
75.94668	0.4
78.95907	3.4
98.20059	0.9
118.42394	0.3
123.55017	0.3
145.05345	0.3
145.87732	0.3
152.99623	1.3
171.10307	0.4
211.13499	0.5
255.23381	0.7
289.46732	0.3
762.46216	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	762.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	0.3
61.98829	100.0
62.98526	0.2
71.50608	0.2
75.00865	0.7
78.95895	0.2
88.00421	0.3
88.98808	1.8
89.02447	0.3
125.09750	0.4
171.10291	0.5
172.10588	0.1
187.09853	0.3
190.52963	0.2
271.70493	0.2
295.22910	0.2
297.41196	0.2
699.39465	1.2
700.40045	0.2
763.36841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20891	0.1
60.99305	0.3
61.98832	100.0
62.98539	0.3
69.98685	0.1
75.55092	0.1
81.36407	0.1
85.19628	0.1
88.98810	1.3
89.02432	0.2
101.51031	0.2
103.38283	0.1
107.28590	0.1
125.24844	0.2
156.20250	0.2
161.28677	0.1
163.26781	0.1
171.10295	0.3
172.10564	0.2
203.36401	0.1
216.30809	0.1
218.80278	0.1
229.32677	0.2
236.80809	0.2
324.67560	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	762.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
61.98829	100.0
62.98524	0.2
64.14672	0.2
70.97456	0.4
70.97804	0.2
71.01363	0.3
78.95905	0.3
107.80102	0.2
171.10356	0.2
209.11893	0.2
228.92181	0.2
255.23283	0.6
299.49170	0.2
401.73407	0.2
726.42017	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98809	2.1
63.96231	1.4
70.30540	0.6
71.01070	0.7
71.01385	8.2
71.29694	0.7
71.30067	0.8
73.02943	2.3
78.95901	1.3
78.98592	7.0
79.95738	13.8
80.96519	83.2
81.03443	1.2
85.02969	3.6
87.00870	3.1
94.98093	18.6
95.01345	0.6
96.23780	0.6
96.95992	1.6
97.02940	2.4
99.00842	1.1
101.02428	2.3
106.98098	3.7
111.09743	0.7
122.97619	3.7
125.02438	3.5
125.28694	0.7
127.03960	1.4
134.97585	5.4
136.99081	2.2
148.99136	6.2
152.98624	7.5
164.98631	12.9
206.99722	3.3
212.59883	0.7
224.98683	1.2
225.00754	18.7
226.00948	1.0
227.04562	0.7
255.23206	2.6
281.24814	5.4
282.25238	1.4
329.23227	0.9
385.19055	0.7
505.17316	2.8
537.27759	1.5
696.26337	0.9
761.41309	100.0
762.41724	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.5
61.98826	20.0
69.83496	7.1
71.01380	8.4
78.95912	4.7
83.05050	3.0
89.02449	2.4
101.02443	2.6
103.45448	1.7
109.06574	1.8
113.02477	2.5
113.52584	1.6
152.99554	2.4
157.81450	1.7
166.75424	1.9
173.37289	1.9
185.52238	2.0
197.11841	3.9
199.13518	1.7
209.11842	54.1
210.12100	2.9
224.71709	1.7
227.12827	13.7
228.13075	2.2
235.08249	7.1
247.13365	3.5
253.09329	9.5
253.21700	6.4
255.23277	100.0
256.23483	8.4
265.14490	2.7
277.21741	6.5
281.24722	8.7
282.25162	2.3
491.32260	3.1
761.46368	8.0
762.48285	2.6
783.86505	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	761.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
60.99297	0.7
61.98829	4.6
64.68855	0.5
69.25990	4.7
69.26398	1.2
71.01374	1.5
87.00241	0.5
87.00841	0.9
88.98817	2.3
89.02411	1.4
91.03983	1.1
96.96014	0.8
97.06539	0.7
101.02484	1.0
109.02952	1.0
116.92879	3.7
121.02950	0.8
125.02430	4.0
137.02420	1.4
151.03996	1.5
161.02440	0.9
162.54884	0.6
165.02005	0.7
165.12820	4.1
167.03549	0.8
171.10228	0.9
177.05548	0.6
183.13892	100.0
184.14197	6.3
201.11372	1.8
209.11816	8.8
210.12137	1.0
225.11305	1.4
227.12923	5.4
243.06577	3.0
253.09325	1.1
289.07147	1.9
297.27414	0.6
301.16559	52.5
302.16949	5.3
313.11200	0.6
355.24573	0.7
357.13617	0.7
373.25891	3.4
394.12033	0.6
413.62231	0.7
445.20938	0.8
671.33167	0.7
673.34009	0.7
761.36914	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	761.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.5
57.62205	0.3
59.01368	0.7
60.35495	0.4
61.98830	16.1
63.96234	1.6
69.03452	1.2
69.50123	2.7
71.01383	7.7
73.02944	1.7
78.95914	0.8
78.98582	6.0
79.95739	13.9
80.96516	78.5
81.03458	1.0
82.14537	0.4
85.02953	3.5
86.11887	0.3
87.00871	3.1
94.98089	17.2
96.95995	1.0
97.02949	1.8
98.20648	0.6
99.00885	0.7
100.71323	0.4
100.72047	0.4
101.02440	2.7
106.98103	2.9
107.76895	0.4
122.97603	3.0
125.02467	2.5
127.04002	0.8
127.22128	0.4
134.97577	5.2
136.99130	1.5
146.97586	0.5
148.99153	6.5
152.98634	6.0
152.99736	0.6
164.98619	12.1
167.00162	0.8
167.79094	0.4
188.98611	0.7
198.91591	0.5
206.99710	2.9
223.13342	0.8
225.00740	17.7
225.03009	0.9
226.01102	0.7
255.23302	2.1
281.24872	0.6
298.67645	0.5
505.17560	2.4
537.27289	1.0
761.41412	100.0
762.41785	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
74.87522	0.2
125.02515	0.3
166.89009	0.2
171.10320	0.6
172.10632	0.3
172.94003	0.2
177.92583	0.2
188.86464	0.2
210.81755	0.2
355.85098	0.2
358.18335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27057	0.2
61.98829	100.0
63.40501	0.1
65.96970	0.2
66.91703	0.2
70.98051	0.4
71.01398	0.2
71.99560	0.2
78.95922	0.3
82.05651	0.2
94.12036	0.2
109.79166	0.2
116.06795	0.2
121.49709	0.2
187.52289	0.2
209.11841	0.4
214.31189	0.2
221.42906	0.2
235.24162	0.2
253.21811	0.4
254.22096	0.4
255.23125	0.3
281.24878	0.3
486.23541	0.2
760.46136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98528	0.2
62.99262	0.1
71.01395	0.2
73.02947	0.1
77.49509	0.1
78.95933	0.3
78.98608	0.1
79.95715	0.5
80.96513	2.4
85.02971	0.1
94.98109	0.6
98.19848	0.2
101.02486	0.1
110.98537	0.1
122.97588	0.1
134.97604	0.2
137.19101	0.1
148.99187	0.2
151.12268	0.1
152.98602	0.2
164.98668	0.4
225.00766	0.5
279.23358	0.3
280.23679	0.4
282.24994	0.1
299.35489	0.1
366.35074	0.1
505.18106	0.1
760.48737	0.7
761.41199	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	760.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98541	0.2
63.96236	0.1
63.96571	0.1
66.29570	0.1
71.01387	0.2
78.82127	0.1
78.95914	0.2
78.98611	0.1
79.95757	0.3
80.96513	2.0
94.98109	0.5
98.19746	0.2
128.82814	0.1
134.97554	0.2
146.49915	0.1
148.99165	0.2
152.98633	0.2
164.98656	0.4
171.10284	0.1
225.00838	0.4
229.18936	0.1
280.23563	0.1
281.25000	0.1
282.25473	0.1
383.59067	0.1
503.96744	0.1
523.77795	0.1
760.48047	0.4
761.41400	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	761.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57728	2.3
59.01382	15.0
60.99299	4.7
61.98831	71.9
64.24809	2.3
68.69355	2.3
71.01374	6.4
71.50867	5.1
78.95902	3.7
83.05011	2.8
88.98808	9.3
89.02470	2.6
101.02464	4.5
113.02458	3.8
114.73159	2.6
116.92867	4.1
117.03453	7.8
117.92915	2.7
119.05035	13.4
119.47607	2.6
121.02911	4.7
125.02437	5.7
145.02992	3.9
149.02399	3.4
149.90263	2.5
150.03210	7.0
161.04591	3.3
162.03229	3.5
163.03967	11.2
163.11343	3.9
165.01961	3.8
165.05588	2.8
171.10277	17.1
172.10600	5.6
195.13828	5.4
199.40050	2.6
205.12306	7.1
209.11818	100.0
210.12195	8.0
223.13383	75.3
224.13696	7.9
227.12825	13.0
235.08141	4.9
237.14856	2.9
245.83363	2.7
249.89969	2.4
253.09314	13.0
255.23317	7.1
306.55267	2.5
445.21063	5.7
459.22363	15.0
651.33789	5.0
653.33185	2.9
761.41168	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	759.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
56.40487	0.4
59.01377	10.0
61.98818	0.8
63.37449	0.4
64.75856	0.4
69.98878	0.4
71.01375	2.3
71.05045	0.4
73.02945	0.7
73.32584	0.4
78.95889	0.5
85.02930	0.6
85.07375	0.4
87.00883	0.9
89.02444	1.1
97.02950	2.8
97.06554	0.5
98.20670	0.8
99.00885	5.1
101.02434	2.7
109.06570	0.5
113.02440	0.9
125.09663	1.1
136.05325	0.7
142.02699	0.6
157.49522	0.4
161.04510	0.6
163.11288	3.3
181.12329	6.7
207.10251	19.3
208.10590	1.5
209.11810	0.6
225.11313	42.1
226.11664	3.5
235.08217	2.9
243.12343	4.7
253.09251	2.8
255.23274	100.0
256.23596	9.4
267.12259	0.5
281.24506	0.5
310.74515	0.4
387.34003	0.4
443.19296	5.0
461.20325	4.2
462.20789	0.5
491.32263	1.1
555.38831	0.5
699.43170	20.9
700.43567	4.3
729.78918	0.5
759.45325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46133	1.2
55.41264	1.0
56.97116	1.0
59.01369	2.1
68.19290	1.1
78.95905	60.9
84.86530	1.2
96.96962	4.2
107.69466	1.3
110.98524	1.6
113.09721	4.0
117.51887	1.2
152.99580	61.4
153.99918	1.3
171.00591	6.8
195.13896	18.4
196.14296	2.0
223.13289	3.2
227.03194	4.1
228.97757	1.3
253.21700	21.1
254.22026	3.0
255.23288	92.7
256.23648	9.3
277.21735	13.6
281.24869	8.1
293.21219	32.0
294.21619	2.6
295.22760	53.2
296.23169	4.1
331.95651	1.3
429.20328	3.4
431.22150	2.9
503.24380	2.9
505.25665	1.9
521.25183	1.8
523.26740	74.7
524.26996	11.1
624.39362	1.4
759.48181	100.0
760.48438	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.5
59.01382	7.9
59.27205	1.1
61.41493	1.0
61.98542	1.5
61.98830	24.5
63.62928	1.2
69.71303	3.4
69.71717	3.1
71.01370	6.9
73.02969	1.4
78.95868	1.1
83.01377	2.0
83.05047	1.6
84.45947	1.3
85.02934	4.8
87.00854	2.6
88.98812	3.0
89.02440	3.7
93.34744	1.0
95.01428	1.1
95.05032	2.8
96.83937	1.1
96.96020	2.1
97.02941	1.4
97.06603	5.6
99.92556	1.6
101.02428	4.9
101.44183	1.2
113.02447	2.5
116.92854	10.9
117.92875	5.5
118.92681	3.9
119.03477	1.5
119.05020	7.8
121.02888	2.5
125.02473	2.5
125.09697	2.0
127.11227	2.0
150.03188	1.5
151.11279	14.8
161.04602	1.3
163.04021	6.4
168.68150	1.3
169.12337	74.8
170.12645	5.3
171.10251	23.3
172.10596	2.4
183.13869	1.9
191.19218	1.2
195.10210	1.9
197.11887	1.9
199.09673	1.5
201.11310	2.5
209.11800	4.1
211.13393	17.1
212.13680	1.4
213.11293	9.9
223.13431	1.3
225.11322	2.5
227.12752	2.3
229.14493	5.7
235.08188	3.4
253.09302	5.3
291.19748	2.1
295.22720	1.3
327.21738	17.6
328.21884	1.7
341.23141	1.6
446.88687	1.2
449.20276	4.9
463.30197	1.3
523.26208	1.4
605.80560	1.2
759.41644	100.0
760.42017	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.5
61.98833	9.9
64.73840	0.7
69.03440	1.2
71.01381	4.0
73.02936	0.9
73.20729	0.7
83.04990	1.1
85.03037	0.7
86.08553	0.7
88.77131	0.8
89.02441	2.7
93.75137	0.9
97.02992	1.3
101.02424	2.1
109.75838	0.8
110.20396	0.8
111.08172	1.6
113.02415	1.2
125.09695	0.9
127.11272	1.7
129.43401	0.7
137.09660	0.8
145.45523	0.7
161.04559	1.1
162.48772	0.7
162.81935	0.8
165.12912	1.2
171.10263	100.0
172.10649	4.4
197.11803	9.3
201.11259	1.1
209.11865	6.7
210.12177	2.3
211.13367	3.0
212.13861	0.9
225.11490	0.8
227.12895	2.8
235.08272	5.3
247.20576	1.9
253.09265	11.0
254.09636	1.5
282.19269	0.9
291.19656	18.3
292.20132	1.6
295.22781	3.2
309.20697	40.9
310.21027	3.5
311.22198	3.1
312.22632	2.6
313.22736	1.6
353.12552	0.7
407.19159	2.9
463.30942	1.0
545.29669	2.1
759.42096	1.1
761.38824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
61.07454	1.9
61.98830	100.0
64.73389	1.8
71.01393	4.7
71.49767	1.8
78.95909	23.1
106.86670	2.0
149.06627	1.7
152.99573	8.2
160.65910	1.9
171.10265	6.6
183.68939	1.8
187.71597	1.9
209.11836	22.8
227.12918	8.7
253.09354	2.3
253.21782	4.1
255.23331	3.6
277.21695	34.0
278.21945	5.0
279.23355	5.4
293.21164	3.4
295.22830	2.4
311.22128	3.0
447.21597	5.0
515.43628	2.2
759.43195	12.7
760.44086	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	759.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
59.01380	41.7
61.98832	42.3
66.87999	1.2
69.26845	5.2
69.27281	5.6
71.01383	5.9
73.02940	1.6
78.95893	1.4
84.78929	1.0
85.02954	3.3
87.00862	2.1
88.98799	5.5
89.02448	3.3
95.27989	1.1
96.95992	1.2
97.02982	1.4
97.06617	2.2
99.92597	1.2
101.02432	4.1
111.08150	3.7
113.02429	4.4
116.92850	7.2
119.05009	4.8
125.02464	2.5
125.09692	1.9
127.11256	1.6
144.17145	1.3
144.54424	1.1
151.11304	5.7
161.04596	1.3
163.03958	3.9
165.12852	1.9
169.12332	37.8
170.12672	2.7
171.10269	88.4
172.10616	4.8
179.05646	1.3
183.13924	1.5
185.11795	1.5
185.72192	1.2
197.11810	14.3
209.11806	3.5
210.11960	1.2
211.13406	17.5
212.13737	6.9
213.11288	2.6
213.14011	1.9
225.11444	1.2
227.12798	1.6
229.14418	2.1
231.12277	4.1
235.08202	3.3
236.51917	1.1
253.09247	8.6
254.09563	2.6
255.23216	2.5
291.19687	11.2
309.20688	17.7
310.21069	2.3
327.21698	8.8
328.22052	3.7
329.22440	3.0
369.41446	1.3
407.19327	2.1
449.20807	1.1
467.21100	2.9
741.40680	7.1
742.40833	1.8
759.41638	100.0
760.41864	27.9
777.86761	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	758.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76557	0.3
61.98831	100.0
68.99584	0.5
78.95905	1.7
96.67940	0.3
98.85680	0.3
100.27745	0.3
108.84103	0.3
110.75327	0.3
110.98561	0.7
111.23125	0.3
112.98602	0.5
140.99852	0.3
171.10335	0.7
195.13948	0.4
277.21854	0.3
278.22162	0.4
279.23422	0.9
280.23688	0.7
281.25381	0.3
295.22946	1.3
296.23334	1.0
299.81424	0.3
311.22406	0.7
312.22717	0.4
323.52707	0.3
327.21750	0.4
328.22223	0.5
341.71335	0.3
487.94022	0.3
512.07507	0.3
681.62762	0.3
731.34686	0.4
758.46887	4.0
759.48016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50284	0.2
61.98829	100.0
69.35697	1.0
69.43321	0.1
78.95900	0.9
98.20628	0.2
101.88390	0.2
110.98543	0.2
131.03781	0.2
140.25850	0.2
152.99626	0.4
167.01143	0.2
211.13416	0.2
232.29237	0.2
255.23338	0.2
277.21957	0.2
278.22244	0.2
279.23328	0.6
280.23773	0.5
295.22922	0.4
296.23102	0.5
311.22382	0.4
312.22589	0.3
327.21790	0.3
328.22324	0.3
728.51624	0.2
758.46832	2.1
759.48138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08130	2.6
58.27158	2.9
59.01376	4.0
61.98830	100.0
70.98169	6.4
71.01353	3.0
71.63451	2.9
78.93871	2.8
78.95905	14.9
98.47982	2.7
101.59721	2.7
152.99570	6.7
211.13391	21.9
253.09258	3.9
255.23309	6.7
293.21173	20.1
311.22238	3.6
345.55698	3.4
383.57217	3.1
401.48373	3.1
759.43030	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	759.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02308	2.1
59.01366	2.1
61.54337	1.7
61.98831	100.0
62.29050	2.0
71.01382	13.0
78.95906	33.8
96.13949	1.9
101.02448	1.9
109.06624	2.1
118.82471	1.8
129.09286	2.0
147.90295	1.9
152.99583	18.0
169.50458	2.0
171.10286	15.5
172.79088	2.2
199.09801	3.2
201.11266	2.8
206.22302	2.2
207.10258	1.8
209.11830	61.5
210.12161	4.7
211.13412	3.6
227.12929	13.1
253.09390	9.7
277.21707	34.7
278.21954	2.9
279.23206	10.4
280.23798	2.5
293.21225	4.8
302.58185	2.3
304.91107	2.1
311.22296	6.8
351.12656	1.9
445.20660	3.8
447.21356	10.7
448.46683	2.2
465.22647	3.6
560.07397	2.4
570.37823	2.2
674.94531	2.4
697.05017	2.4
759.43835	26.0
760.44397	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	757.466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59872	0.8
57.03449	4.5
59.01369	3.0
61.98835	5.1
63.60455	0.6
67.91944	0.6
71.01385	0.8
71.54258	0.6
72.82001	0.6
75.78051	0.6
78.95905	31.5
85.06605	0.7
89.44349	0.6
97.06560	1.0
102.97683	0.8
108.36748	0.7
109.06622	0.9
110.98528	24.6
113.09724	12.7
113.10470	1.3
114.10012	0.8
132.52251	0.7
139.11305	1.2
149.00073	0.8
152.99599	2.2
167.01134	9.3
167.10791	1.9
171.10225	0.8
177.12856	1.7
179.10818	1.3
179.14375	1.7
185.02200	0.8
192.47624	0.7
195.13904	21.9
196.14247	1.5
197.11815	1.7
205.12314	2.2
223.13391	8.6
243.34135	0.8
247.32112	0.7
255.23181	0.9
277.21698	15.0
278.22055	2.1
279.23251	6.1
280.23529	1.4
281.24826	1.5
293.21216	90.9
294.21515	8.9
295.22760	100.0
296.23096	10.8
311.22421	1.4
327.21664	2.1
351.55682	0.7
356.92902	0.9
368.39050	0.8
443.22043	1.4
445.23715	1.3
461.23126	4.1
463.24677	6.8
507.99445	0.8
641.38019	0.9
669.37836	4.3
670.37860	0.9
739.45801	4.8
740.45599	1.9
757.46887	6.7
758.46497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	5.1
59.01382	28.4
61.98827	97.8
71.01375	14.8
73.02950	2.7
78.95903	43.4
84.34525	2.5
85.02938	2.9
87.00890	5.2
87.55274	2.7
88.26035	2.4
89.02423	4.8
98.19806	4.0
98.20506	14.3
101.02438	10.4
113.02435	4.0
113.09713	11.8
125.09748	4.1
138.06975	2.3
139.11212	3.1
147.62656	2.4
152.99588	19.2
160.47368	2.4
161.04543	3.3
163.11259	4.2
165.12842	12.7
171.10223	11.3
172.77251	2.7
179.14496	2.8
183.13885	100.0
184.14197	5.4
185.11838	2.7
195.13872	9.4
197.11839	4.8
199.13390	6.1
201.11313	33.2
201.13046	4.0
202.11737	3.5
205.12428	2.8
207.10201	8.0
209.11800	10.3
211.13364	17.8
212.13669	5.2
223.13408	17.4
225.11319	14.9
227.12889	10.8
235.08150	8.1
243.12102	3.6
253.09299	24.8
254.09634	2.9
277.21729	57.8
277.24789	3.7
278.22089	7.2
291.19461	5.7
293.21216	94.9
294.21454	12.5
295.22400	5.4
297.07861	2.5
311.22208	9.6
327.21759	5.3
373.94467	2.6
429.20557	2.8
445.20410	5.6
447.21414	6.6
463.21490	8.1
669.34949	21.0
670.35266	3.5
739.42712	17.5
740.43311	7.7
757.43549	94.1
758.44208	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.5
59.01377	12.1
61.85899	1.1
61.98829	29.9
65.90976	1.0
68.99575	2.5
71.01381	100.0
71.38525	1.1
72.01714	1.7
73.02935	1.4
73.67822	1.0
78.91911	1.3
78.95906	16.5
83.01389	1.1
83.05036	1.6
87.00857	3.1
89.02442	2.4
96.96967	2.1
97.02952	1.4
98.19765	1.7
99.00822	1.5
101.02426	3.7
109.06583	5.2
112.98563	4.9
113.02429	2.7
114.93417	5.2
115.00368	4.9
125.09708	1.9
127.11288	2.5
152.99612	8.0
161.04524	2.3
163.11310	2.1
167.21597	1.0
171.10266	73.6
172.10583	3.7
185.11839	1.7
197.11749	1.6
199.00082	1.1
199.09753	8.8
199.13377	2.3
201.11276	10.0
207.10251	10.7
208.10590	1.3
209.11920	2.0
211.13362	3.6
215.12877	2.5
216.13301	1.2
225.11259	10.0
235.08221	4.6
243.12257	1.1
253.09340	9.4
277.21716	81.3
278.22079	8.8
291.19370	1.4
293.21127	3.9
295.22827	1.3
311.22189	2.1
352.90189	1.5
399.56973	1.4
435.18018	1.1
461.19977	1.8
511.78256	1.5
721.40881	2.7
739.43097	1.8
757.43292	18.9
758.43817	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	757.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.7
61.98830	100.0
71.01375	7.8
71.50468	3.0
78.95910	21.1
81.67779	1.9
83.05028	2.4
88.75381	1.8
89.02422	3.3
99.00854	5.4
101.02432	4.9
113.02460	2.4
115.74970	2.1
125.09689	4.9
127.11301	5.4
130.53557	1.8
151.69656	2.1
152.99585	7.8
155.10773	2.0
163.11240	2.2
171.10266	6.7
179.05833	1.9
181.12337	8.2
185.11795	2.6
199.09695	2.3
199.13408	10.8
201.11325	68.2
202.11618	3.5
204.64577	1.7
207.10255	11.1
209.11752	9.8
211.13399	7.9
225.11346	22.3
227.12825	3.7
235.08279	2.2
243.12294	7.6
253.09375	11.0
277.21716	34.2
278.22116	3.8
291.19528	3.0
293.21320	9.1
295.22656	4.9
309.20679	3.4
311.22110	4.0
327.21759	2.8
372.01627	2.2
461.20413	4.2
511.55487	1.8
614.50659	2.1
721.41779	2.5
739.42810	7.9
757.43689	79.7
758.44116	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.6
61.98831	38.7
63.71011	1.0
68.30864	1.0
69.03397	1.0
71.01380	9.1
71.49873	1.3
71.79903	0.9
78.95900	13.9
89.02450	2.0
96.96967	1.5
97.02940	3.1
99.00875	4.8
101.02438	1.5
102.65320	1.0
113.02460	1.6
121.63261	1.1
152.99583	8.1
161.04543	1.2
163.11275	4.4
171.10258	3.7
181.12332	6.9
195.13892	1.4
201.11261	2.2
207.10248	25.5
209.11815	4.8
211.13350	2.1
225.11313	46.9
226.11609	3.2
235.08243	4.2
243.12263	5.4
253.09218	5.1
253.21718	100.0
254.22066	8.3
255.23273	7.3
256.23627	1.4
262.37466	1.1
277.21579	2.5
291.19684	1.9
293.21255	4.0
295.22809	11.1
296.23090	1.6
311.22311	2.1
443.19122	4.6
444.19708	1.5
445.20209	1.6
461.20181	7.5
697.41589	19.8
698.42157	4.7
757.44794	6.5
758.44714	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	757.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.5
60.79392	1.3
61.98829	100.0
62.98513	1.6
63.99249	2.4
67.80006	1.4
71.01382	5.6
73.02950	2.4
78.95895	2.7
83.05029	2.1
85.02954	2.1
88.98811	1.3
89.02471	2.0
96.96020	7.0
96.96924	1.6
97.02934	1.7
98.95585	3.0
101.02452	2.3
113.02422	1.9
114.42805	1.4
119.05022	2.9
123.04584	1.6
125.02455	3.0
128.73170	1.4
131.37822	1.5
137.09706	2.4
145.02895	2.3
151.04068	1.4
151.11322	3.3
163.04022	4.0
163.11192	1.3
165.01904	3.6
165.12912	1.8
167.10699	1.9
169.12341	9.5
171.10281	6.7
183.13918	2.4
185.11778	2.0
189.12418	1.5
197.11774	3.1
199.13396	1.7
209.11835	25.8
210.12146	6.7
211.13412	35.7
212.13687	4.1
213.11287	2.8
227.12950	3.4
229.14417	2.0
235.08272	4.4
241.59064	1.5
253.09250	8.7
307.19263	3.2
309.20715	4.7
310.21112	3.1
311.21490	2.1
325.20480	1.6
327.21725	17.1
447.22342	2.3
555.49884	1.5
739.38385	2.3
757.39783	18.8
758.40063	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	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.27340	3.4
71.01381	7.7
78.95909	23.9
82.55322	3.5
106.68185	4.0
115.97868	4.4
128.75824	3.9
138.57594	3.8
141.07359	3.9
152.99597	10.2
171.10304	4.1
175.99713	4.1
196.22284	3.8
225.11305	10.0
255.23317	4.8
277.21811	8.6
293.21225	8.0
415.97885	3.6
450.18372	4.4
461.20337	6.9
647.05804	4.5
757.41797	14.1
758.40363	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	757.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29773	0.8
57.03453	6.4
60.32951	0.9
60.41887	0.9
61.42688	0.9
61.98806	1.3
69.03448	2.6
69.29143	6.0
69.29553	2.4
71.01369	1.2
78.91888	11.8
81.03463	2.6
83.01398	8.6
87.68541	1.2
93.03444	1.8
95.05019	2.6
96.96016	1.1
97.02946	6.0
98.19874	1.7
99.04520	1.5
107.05021	1.5
109.02952	9.4
121.02949	3.2
122.03723	2.3
123.04517	3.8
124.01717	1.4
125.01527	1.8
125.02448	34.6
130.57378	1.0
133.02985	1.1
135.04472	2.3
137.02440	77.4
138.02803	2.6
139.04005	1.8
146.03743	7.6
149.02428	3.2
150.03214	16.1
151.04024	5.0
159.04536	3.5
161.02415	2.4
161.06050	1.4
164.01143	8.1
165.01936	34.4
166.02455	1.2
167.03473	11.8
168.03917	0.9
171.08089	0.9
172.05307	3.9
173.06059	5.1
174.03209	4.4
174.06885	1.1
175.03981	5.1
175.07649	10.3
176.04733	2.1
177.01933	2.8
177.09189	1.2
179.03484	19.8
181.05081	1.8
187.04027	2.3
187.07637	8.8
188.04791	3.8
189.05551	1.6
189.09071	1.6
190.02615	1.0
190.06313	1.8
197.06007	1.1
199.07591	2.0
200.04684	5.0
200.08162	1.0
201.05563	2.3
201.09184	14.6
202.06299	2.0
203.07112	6.6
205.08632	3.2
213.05542	1.7
213.09154	0.9
214.06262	1.0
215.07108	1.2
217.05241	1.2
217.08670	12.0
218.05864	1.7
225.05537	1.8
226.06139	1.2
229.08704	11.8
230.08920	1.0
239.10748	1.1
241.08670	3.1
247.09726	17.9
248.10037	1.4
251.07018	1.3
255.09982	1.2
257.11581	1.1
281.11880	2.8
281.21695	1.2
283.09769	1.3
287.05716	6.2
288.06284	1.5
297.11313	1.2
299.12811	3.7
323.12866	7.2
341.19571	1.3
349.10559	2.6
367.11823	26.5
368.12048	4.2
385.12912	100.0
386.13217	13.2
441.63690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66068	2.0
59.01384	2.3
71.50634	2.8
75.14136	2.8
77.29565	2.4
81.03452	15.2
83.05029	14.8
93.03470	6.1
99.01723	2.2
109.02979	4.7
111.04520	52.3
119.05083	5.3
127.04012	91.3
128.04362	3.1
134.03676	4.3
137.02444	6.0
155.03500	80.2
155.04759	4.6
156.03816	3.1
163.03972	6.5
174.32419	2.5
193.05049	2.5
199.02469	100.0
200.02797	3.9
217.03525	64.7
218.03891	5.6
363.06958	3.0
393.07986	3.0
465.53171	2.4
710.08307	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	757.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99537	0.7
60.02485	0.8
65.00319	9.1
69.51147	4.8
71.05035	1.5
75.38186	0.7
76.05710	0.7
83.01394	3.0
93.03419	0.9
96.25014	0.8
99.04521	20.5
107.01398	8.8
109.02937	1.1
113.02718	0.9
115.04003	14.4
119.05019	41.5
120.05386	2.6
123.04514	3.4
124.01610	0.8
125.02447	10.0
125.78856	0.7
128.20970	0.7
133.02939	1.7
135.04544	0.9
137.02457	1.7
143.03491	100.0
144.03854	4.0
149.02486	1.5
150.03246	5.9
151.00368	38.7
151.03967	7.0
152.01167	5.3
161.04553	16.2
163.04005	69.3
164.04327	4.0
175.03990	2.8
177.01857	2.3
178.99803	6.3
199.03949	1.6
285.04044	21.1
286.04407	2.4
302.04492	1.1
303.05032	12.3
304.05316	1.0
307.08224	17.8
308.08643	2.1
385.12592	1.0
449.10818	28.0
450.11212	3.1
479.69141	1.0
710.61517	0.9
710.76190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56463	0.9
57.03445	1.7
57.53270	0.8
59.01362	1.8
61.98824	5.0
62.26841	1.0
62.51021	0.9
70.71599	1.9
70.71939	1.3
72.04720	0.8
73.41452	1.0
76.14977	0.8
77.29878	0.9
78.95904	19.6
110.98531	20.7
111.08154	2.1
113.09711	6.1
152.99596	1.0
160.09389	1.1
167.01122	8.6
167.10703	2.0
177.12778	1.3
179.10732	1.1
179.14397	1.5
194.06993	1.0
195.12285	1.4
195.13881	15.4
205.12305	2.1
209.11708	1.5
223.13382	13.5
256.13141	1.0
275.20029	4.0
277.21756	4.0
291.19675	29.1
292.19989	2.8
293.21222	100.0
294.21548	10.3
295.19400	1.4
295.22763	29.1
296.23077	3.6
309.20630	1.6
332.50906	1.0
379.25543	0.9
426.12067	1.1
443.21579	1.4
444.00421	1.0
459.21368	1.0
461.23041	4.6
462.23111	1.6
463.24637	2.5
524.16571	1.1
609.93341	1.1
618.58698	1.0
667.36243	3.4
669.38416	1.3
737.43634	3.7
755.45264	5.4
756.45178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01385	9.8
61.98829	17.5
69.03477	1.0
70.92046	1.9
71.01382	7.3
73.02964	2.2
83.01409	1.4
84.78288	1.1
85.02943	2.4
87.00905	2.1
87.73167	0.9
89.02432	4.3
97.06584	1.0
101.02441	6.8
111.08158	7.0
113.02455	3.2
114.84205	1.0
119.03523	2.4
161.04575	3.4
165.12840	16.8
166.13159	1.7
167.10791	2.2
171.10281	1.1
177.12862	2.1
179.10797	2.4
179.14391	2.0
183.13890	100.0
184.14220	7.8
195.13924	9.8
197.11853	1.2
199.13464	2.8
205.12273	5.4
209.11815	9.5
211.13370	2.6
223.13370	22.0
224.13533	1.7
227.12860	12.2
235.08224	4.1
247.20537	1.5
253.09276	11.4
275.20154	1.6
291.19650	96.8
292.20023	10.6
293.21283	1.1
309.20703	3.5
315.52023	1.0
440.26318	1.3
445.20810	4.1
463.22104	5.6
527.28467	1.3
669.34912	21.7
670.35266	5.0
737.41180	15.7
738.41492	3.9
755.42090	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	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12047	1.8
55.01864	2.9
58.00595	2.5
58.20097	2.0
59.01380	27.5
61.98826	35.9
69.03447	3.4
71.01379	30.8
71.91731	2.7
72.99311	3.9
73.02932	7.5
74.84039	2.4
78.79580	2.2
78.95873	2.4
80.91682	3.9
81.03468	3.6
83.01382	4.6
83.05019	4.4
85.02940	5.4
87.00875	4.2
89.02453	10.7
92.23568	2.3
95.05045	2.8
97.02967	5.5
97.06573	2.9
99.00887	11.2
101.02458	15.7
109.06588	6.7
111.04488	2.8
111.08156	7.9
113.02458	8.0
119.03495	2.8
125.09720	6.8
126.64764	2.2
141.12868	3.5
143.03493	3.0
153.12865	2.7
161.04538	5.5
163.11284	10.3
165.12859	7.3
167.10791	4.8
167.29762	2.5
169.12294	7.3
171.10269	69.8
179.10783	6.3
181.12350	12.8
183.13882	51.4
184.14137	2.4
185.11810	10.8
189.33452	2.5
195.13863	11.8
197.11816	45.0
198.12154	8.1
199.13414	35.5
201.11298	21.1
207.10249	31.4
208.10608	5.4
209.11829	50.1
210.12158	10.1
211.13515	17.3
215.12833	5.2
223.09694	6.8
223.13438	4.7
225.11296	56.9
226.11661	4.0
227.12868	43.2
227.15073	2.3
228.13295	3.3
235.08208	10.3
243.12268	7.5
253.09248	41.1
254.09668	4.5
273.18439	2.6
275.20172	5.4
289.18057	4.0
290.18268	3.4
291.19638	40.2
292.19962	7.3
293.21231	91.2
294.21506	12.7
295.10068	3.1
295.22787	13.1
307.19189	6.1
308.19421	3.5
309.20694	42.4
310.20911	2.5
311.22189	11.9
339.17816	3.0
445.20486	3.8
461.20139	7.9
463.22049	3.2
527.28088	2.9
657.35016	4.8
737.40955	8.2
738.40814	3.2
755.41931	100.0
756.42816	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	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.7
59.01381	9.0
61.98824	2.3
68.22866	0.8
69.03443	1.6
69.46774	0.7
71.01369	6.4
73.02948	1.8
78.99796	0.7
83.01385	1.0
83.05044	1.0
85.02942	1.9
87.00859	1.4
89.02455	4.1
95.01356	1.0
95.05010	0.8
97.02940	3.4
97.06596	2.2
98.19875	2.3
101.02416	5.1
109.06582	1.1
110.06812	0.7
111.08147	5.3
113.02447	2.6
119.03472	1.2
125.09676	0.9
132.15265	0.8
137.09666	0.8
145.10301	0.7
153.12762	0.8
161.04541	2.7
163.11369	1.8
165.12827	11.5
169.12331	2.8
171.09286	0.7
171.10304	7.0
177.13026	0.9
179.05618	1.3
181.12346	1.3
183.13889	97.1
184.14159	4.8
185.11795	1.6
195.13863	1.0
197.11813	20.4
198.12186	0.8
199.13393	3.6
201.11317	2.2
207.10268	2.3
209.11838	8.8
211.13451	4.1
223.13284	0.9
225.11331	4.7
227.12889	10.4
229.50171	0.9
235.08182	3.8
247.20674	1.8
253.09264	12.2
263.20053	1.2
273.18640	1.3
291.19666	18.2
292.19989	1.6
293.21228	8.4
295.22751	1.0
309.20697	29.1
310.21140	2.1
327.21686	1.8
405.86160	0.8
445.20898	4.2
445.26184	0.8
461.20325	0.9
463.21603	6.3
478.65955	0.9
545.29333	1.3
737.41266	1.8
755.42212	100.0
756.42584	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	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
58.00586	0.5
59.01379	4.8
61.98820	1.6
69.03494	0.6
71.01384	3.9
73.02941	0.8
80.02673	1.0
81.03474	1.2
83.05029	4.4
84.02160	0.8
85.02945	1.2
89.02449	2.4
90.17164	0.3
95.05024	0.9
97.02959	2.4
97.06574	0.7
98.20660	1.0
101.02457	2.6
109.06642	0.5
111.08162	2.3
113.02452	2.3
119.03468	0.8
125.06071	0.8
125.09707	0.8
135.08098	0.5
137.09706	0.5
143.03481	0.6
153.12859	0.6
161.04524	1.5
163.11301	4.9
165.12819	3.1
169.12309	1.3
171.10263	7.4
172.10590	0.5
179.05612	0.4
179.14288	0.3
181.12360	1.8
183.13934	0.6
185.11833	0.5
191.10782	0.6
193.12273	0.4
195.13956	0.5
197.11821	12.6
198.12167	0.5
199.13376	1.8
201.11316	1.5
207.10324	1.9
209.11819	100.0
210.12169	7.0
211.13377	4.3
222.39168	0.3
223.13329	0.9
225.11299	3.9
226.11543	0.5
227.12872	12.4
228.13203	0.9
235.08212	4.3
236.08517	0.5
247.20714	1.0
253.09283	13.4
254.09467	0.7
263.20135	0.8
273.18744	1.0
275.20172	0.9
291.19662	15.1
292.19971	1.6
293.21252	6.9
294.21628	0.9
309.20691	36.4
310.21051	4.7
325.20200	0.6
445.20883	0.8
463.21689	0.4
501.32034	0.8
737.40833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03434	0.6
59.01379	6.4
61.98834	2.8
69.03450	0.8
70.81749	1.0
71.01376	5.1
73.02941	1.4
80.02683	1.1
81.03468	1.5
83.01387	1.1
83.05037	5.4
84.02177	1.1
85.02962	1.2
87.00870	1.2
89.02441	2.9
95.01357	0.4
95.05034	1.2
97.02954	2.0
97.06602	0.5
101.02451	3.7
109.06603	1.0
111.08168	3.2
113.02458	2.0
119.03503	0.7
125.06040	0.5
125.09724	0.8
127.11304	0.5
135.08142	0.6
137.09717	1.2
151.11194	0.6
153.12810	0.6
161.04565	1.8
163.11264	4.0
165.12836	3.8
166.13225	0.5
169.12340	1.8
171.10268	10.1
172.10622	0.5
181.12334	1.7
183.13840	0.5
185.11818	0.6
191.10800	1.0
193.12314	0.7
195.13921	1.0
197.11847	13.3
198.12167	1.1
199.13420	2.4
201.11237	1.9
207.10254	1.8
209.11830	100.0
210.12160	5.4
211.13374	5.0
223.13425	1.1
225.11337	4.5
226.11739	0.5
227.12872	14.3
228.13315	1.2
235.08171	3.4
247.20718	1.1
250.36510	0.5
253.09312	15.1
254.09616	0.5
263.20160	0.7
265.18106	0.6
265.21783	0.5
273.18539	0.9
275.20209	1.1
291.19666	18.8
292.20078	1.8
293.21210	10.1
294.21475	0.6
307.19150	0.7
309.20712	38.8
310.21091	3.9
437.16574	0.4
445.20605	0.8
461.20303	0.6
737.41046	0.8
755.42218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.35
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95515	0.2
59.01374	0.3
61.98829	100.0
63.99262	0.6
71.01382	0.2
78.95914	0.5
90.15001	0.2
91.54177	0.2
93.03430	0.2
96.96013	4.0
96.96963	0.5
98.19856	0.5
109.02970	0.4
110.88363	0.2
114.02019	0.3
116.92876	0.5
121.02968	0.3
123.04481	0.3
125.02441	1.0
131.04617	0.6
137.02463	0.7
146.48227	0.2
151.04037	0.4
165.01930	0.3
171.10344	0.3
198.43608	0.2
203.07213	0.2
209.11885	0.6
219.67508	0.3
263.64471	0.2
289.07211	0.7
451.85452	0.2
526.38696	0.2
587.27228	0.2
722.36157	0.3
754.39935	0.3
755.31622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.3
61.98829	49.2
69.03448	1.6
71.01382	96.3
72.01718	2.0
72.99300	1.2
73.02952	4.1
78.95896	13.7
81.03442	1.6
83.01408	1.3
83.05029	1.9
85.02940	3.2
87.00850	2.9
89.02451	3.7
95.05016	1.5
97.02950	4.1
99.00874	4.2
101.02441	8.0
109.06590	16.7
110.03735	1.2
110.98538	1.6
111.08160	0.9
113.02446	1.4
117.19088	0.9
119.03512	0.9
125.02445	1.5
125.09698	3.6
127.11293	2.5
135.08182	1.5
136.05269	1.5
139.62318	1.0
152.99551	6.7
153.09256	1.5
155.10777	1.7
161.04533	2.2
163.11252	10.1
171.10269	37.3
172.10559	1.9
179.05637	1.1
179.10727	1.3
181.12309	5.1
185.11790	3.7
189.09229	2.1
195.13878	12.2
196.14169	1.2
197.11775	2.4
199.09668	1.7
199.13370	3.2
201.11304	19.8
202.11650	1.4
207.10245	44.6
207.12218	2.2
208.10611	2.3
209.11813	3.6
211.13341	3.1
215.12683	1.4
223.13394	6.3
225.11310	44.8
226.11673	2.3
235.08220	6.1
243.12300	4.0
253.09279	18.2
254.09662	1.5
255.23302	1.8
256.13065	1.2
275.20197	6.9
277.21686	3.0
279.23303	2.3
291.19568	3.7
292.20074	1.2
293.21216	100.0
294.21558	11.5
295.10300	1.9
295.22601	2.5
309.20605	1.5
311.22296	2.1
317.50705	1.1
430.93750	1.2
443.19147	2.0
445.19986	1.4
447.77631	1.0
461.20258	11.0
462.20193	1.8
737.41235	8.3
738.41815	3.3
752.58380	1.6
755.42346	25.1
756.42395	7.3
769.43695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88267	0.1
59.01366	0.2
61.98831	100.0
62.98537	0.3
63.99259	0.2
67.84039	0.1
70.51915	0.4
72.86881	0.1
78.41730	0.1
78.95921	0.2
80.09409	0.1
122.31978	0.1
125.02435	0.2
133.45665	0.1
170.59573	0.2
171.10289	0.3
209.11861	0.6
253.09352	0.2
309.20828	0.2
327.21896	0.2
360.17297	0.2
517.92151	0.1
754.33173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52541	0.1
59.01405	0.1
61.98829	100.0
62.98540	0.3
65.46087	0.1
69.57220	0.5
69.57647	0.4
71.01357	0.1
96.96001	0.2
98.19977	0.2
106.06654	0.6
121.02935	0.2
123.04514	0.2
125.02450	0.5
125.33362	0.1
137.02441	0.3
139.04059	0.1
149.09596	0.2
150.05627	0.4
165.01949	0.2
175.04044	0.2
177.01965	0.1
194.04616	0.2
209.11913	0.4
272.71509	0.2
289.07236	0.3
716.45575	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
61.84050	2.5
61.98830	34.9
71.01382	5.6
78.95915	15.1
89.02377	2.4
101.02406	3.8
109.06574	5.4
143.06001	2.4
152.99533	3.0
164.36240	2.5
171.10249	9.1
181.08745	3.2
197.11815	5.6
199.09746	13.2
201.11336	8.0
207.10248	30.7
207.66870	3.3
209.11786	6.2
223.13364	10.9
225.11270	18.8
229.87764	3.5
235.08261	19.2
251.20045	16.0
253.09279	14.8
255.23286	100.0
256.23572	7.9
277.21796	5.0
291.19559	5.4
293.21042	14.0
294.21906	3.0
295.22818	3.4
309.20749	7.4
417.17520	5.7
461.20200	3.5
491.32159	10.4
673.41632	42.8
674.41766	14.9
699.42963	24.6
700.43726	8.0
753.42059	24.2
754.42950	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	753.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19600	2.5
58.62395	2.6
59.01384	6.1
59.47507	3.0
61.98838	24.5
68.71621	2.9
69.23874	10.6
69.24310	15.6
78.95905	47.0
80.96524	3.9
105.00220	2.9
110.98549	28.8
113.09766	3.2
125.61631	2.8
167.01155	13.1
167.10762	6.3
179.10812	3.7
183.29959	2.9
185.19250	2.7
195.13890	20.2
199.13336	4.6
209.11801	9.4
211.20070	3.3
223.13370	22.8
249.29073	3.1
255.23224	3.7
275.20142	6.7
289.18103	7.2
291.19638	95.3
291.24539	3.9
292.19989	13.4
293.21198	100.0
294.21594	12.3
295.22760	15.4
307.19220	4.6
309.20758	3.3
459.21585	3.9
461.22934	5.4
667.36249	4.9
735.41278	6.0
753.42181	21.0
754.42523	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	754.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24850	0.2
57.03454	0.2
58.33083	0.2
59.01380	0.5
61.98829	100.0
62.98532	0.2
63.99258	0.3
65.46658	0.2
65.58532	0.1
68.99567	0.4
71.01399	0.4
81.41216	0.1
83.05032	0.2
85.02997	0.2
89.02422	0.2
90.66796	0.2
96.96024	0.7
98.19949	0.5
109.03056	0.1
109.06632	0.2
112.98562	0.6
114.93410	0.4
123.04538	0.2
125.02478	0.3
148.59889	0.2
151.04054	0.2
171.10316	0.6
196.34859	0.2
209.11809	3.9
210.12206	0.6
211.13493	0.4
217.57437	0.2
227.12982	0.6
229.23412	0.2
253.09328	0.8
266.79303	0.2
285.18069	0.2
289.07047	0.2
289.18161	0.4
290.18576	0.4
291.19919	0.4
307.19278	0.3
309.20584	1.0
326.20718	0.2
340.58450	0.2
349.78720	0.2
457.92618	0.2
515.06061	0.2
544.28595	0.2
754.39972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.9
58.00571	1.4
59.01379	15.8
61.98827	10.5
69.03446	2.7
69.89623	1.2
71.01376	14.9
71.49999	1.6
72.99319	1.9
73.02934	3.4
78.95895	1.7
80.02658	1.8
81.03471	1.4
83.01395	2.2
83.05028	3.0
85.02934	3.5
85.17110	1.3
87.00865	3.0
89.02463	6.7
90.69915	1.2
95.01380	1.9
95.05023	1.4
97.02937	4.6
97.06573	6.4
99.00860	1.9
101.02437	8.1
109.02837	1.3
109.06615	7.3
111.00882	1.6
111.04523	2.3
111.08162	6.1
113.02445	5.3
119.03474	2.2
123.04524	1.2
123.08202	1.9
125.02473	1.7
125.09688	2.9
137.09735	1.5
145.05057	2.2
147.11719	1.7
149.09654	1.7
151.11285	8.8
152.99490	1.7
155.10814	1.8
161.04544	3.4
161.09741	2.2
163.11273	6.7
165.12820	18.3
167.10706	2.8
169.12277	2.5
171.10265	11.2
177.09259	2.0
177.12712	1.6
179.05515	2.4
179.10701	3.5
179.14351	2.3
181.12360	9.3
183.13885	100.0
184.14201	8.0
185.11888	1.9
191.10750	4.1
191.14418	2.1
195.13820	4.9
197.11815	10.6
198.12282	2.3
199.13347	4.7
205.12294	3.0
207.08356	1.7
207.10239	21.0
208.10637	1.4
209.11813	31.9
210.12178	1.6
211.13387	10.3
221.11778	1.5
223.09729	3.3
223.13345	18.5
224.13715	9.1
225.11267	16.0
225.13660	2.9
226.11554	1.7
227.12888	20.2
235.08200	6.1
241.14212	3.0
245.18997	5.2
253.09248	15.7
254.09518	2.4
255.09668	1.5
263.20145	5.7
289.18100	15.1
290.18362	2.2
291.19678	12.8
292.19870	4.9
293.21286	16.5
294.21371	2.1
307.19128	20.3
307.22534	2.3
308.19409	3.5
308.22812	1.4
309.20688	20.0
310.21033	6.5
311.21689	3.5
327.21841	2.1
401.22913	2.3
419.24448	1.8
443.18961	3.4
445.20682	7.1
461.20245	4.2
463.21719	5.2
543.27985	3.6
637.32245	7.7
638.32391	1.4
655.33508	5.9
735.39014	5.9
753.40540	72.5
754.40979	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	753.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
55.84631	0.9
56.06373	0.8
57.03438	1.8
59.01378	6.0
61.98812	4.3
64.84538	1.1
68.52044	0.8
69.03457	4.5
71.01385	6.6
71.05009	1.3
71.27386	1.8
73.02931	1.2
81.30736	1.0
83.05022	1.7
85.02945	2.3
87.00880	2.3
89.02460	2.1
99.00904	1.1
101.02410	3.8
109.06570	1.3
111.04491	1.3
111.08077	1.1
113.02426	2.9
123.08152	1.8
125.09703	3.4
151.11253	3.4
161.04478	2.2
161.09715	3.4
163.11221	0.9
165.12897	1.5
171.10231	3.5
179.10789	7.9
179.14369	1.0
181.12312	1.6
187.25967	0.9
195.13869	8.5
197.11824	42.0
198.12158	2.1
205.12199	1.2
207.10234	2.7
209.11824	15.8
209.71065	0.9
211.13431	3.2
223.09766	2.0
223.13358	6.0
225.11278	3.2
227.12822	2.6
241.10840	1.9
253.09242	5.8
272.91501	1.1
275.20108	3.1
289.18097	2.8
290.18265	1.0
291.19632	2.6
293.21252	26.1
294.21469	1.8
307.19174	3.4
307.75989	1.0
309.20459	1.3
334.07919	0.9
471.83368	1.1
477.19879	1.9
543.27844	1.3
735.41254	1.6
753.40601	100.0
754.40973	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	753.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.2
59.01388	1.3
61.98827	7.2
65.00323	1.2
65.03957	1.1
69.03470	0.8
69.41099	5.9
81.03442	1.6
83.01383	4.2
89.63012	0.8
91.01860	0.8
93.03459	1.8
95.01385	0.9
96.96068	0.8
97.02950	1.9
98.20672	1.4
100.09482	0.9
107.01392	2.4
107.05045	1.1
108.02167	1.3
109.02963	12.1
111.00880	1.4
117.03464	0.8
121.02959	2.7
121.98409	0.7
122.03748	1.0
123.00880	2.3
123.04529	7.7
124.01668	1.4
125.02445	100.0
126.02792	2.9
132.02177	1.4
133.02966	5.5
134.03732	1.6
135.04538	3.6
137.02449	17.7
139.00282	1.2
139.04010	1.2
145.02986	3.7
145.08754	1.2
146.03780	1.4
149.02432	3.0
149.06004	1.3
150.03217	0.9
151.00374	2.8
151.04015	8.3
152.01079	1.2
158.58038	0.9
159.04524	4.3
160.01692	2.3
161.02440	26.0
161.06068	3.1
162.03145	1.5
163.00365	1.9
163.04010	3.3
164.01175	3.6
165.01909	5.4
167.03468	1.6
168.00607	1.5
169.01439	12.2
170.01839	1.1
173.06007	1.6
174.03214	1.1
175.04013	11.5
176.01205	0.8
176.04445	1.0
177.01944	10.6
177.05550	1.1
179.03476	3.4
183.04562	1.4
185.02313	0.7
185.06067	2.4
187.04008	5.5
191.03488	1.6
193.05034	1.7
199.04013	2.8
201.01917	1.3
201.05576	3.6
203.03484	1.9
203.07144	4.6
205.01445	1.6
205.05086	4.4
211.02373	1.4
211.04108	1.8
213.05548	1.3
214.02718	1.0
217.05058	3.5
219.02934	2.3
219.06650	0.8
221.04425	1.1
222.37177	0.8
225.05540	1.8
227.03439	2.0
227.07115	2.3
228.04320	0.9
229.05003	4.5
231.02808	1.1
241.05086	1.0
243.02962	6.2
243.06566	1.7
245.04559	6.5
245.08215	7.4
246.04605	0.8
253.05000	1.7
255.03036	7.1
255.05692	1.0
255.06628	1.1
256.03738	3.0
257.04538	1.4
259.06030	1.3
261.03986	1.0
267.06830	1.2
268.03955	1.1
269.04587	5.1
271.06232	7.9
273.04111	5.2
281.04544	2.8
283.02628	1.3
283.05984	1.7
285.04187	3.8
287.05524	10.2
289.07190	35.6
290.07449	3.3
297.04092	1.6
297.07422	1.1
299.05627	4.7
313.05634	1.8
321.07623	1.2
329.10452	1.2
339.08749	2.0
381.09900	1.4
389.06552	2.9
407.07697	51.7
408.08069	6.2
425.08780	7.0
433.09689	4.8
444.71725	0.7
451.10318	13.1
465.06769	2.0
465.12079	3.3
483.07767	1.5
559.12384	2.2
560.12915	1.0
577.13525	9.7
578.13275	2.6
583.12238	4.2
601.13147	12.3
602.13318	2.9
627.15900	1.0
753.13251	10.0
753.29510	1.3
754.13763	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	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03443	2.1
59.01377	12.7
61.80553	0.5
61.98826	4.9
68.55872	0.5
68.91850	0.5
69.03452	2.5
71.01382	11.5
71.05029	1.1
72.99304	0.9
73.02948	2.2
75.85254	0.5
78.66996	0.5
80.02681	0.9
81.03456	2.4
83.01381	1.6
83.05020	6.6
84.02175	0.9
85.02946	4.8
87.00872	2.4
89.02446	6.1
91.04000	0.6
93.03448	0.6
95.01404	1.1
95.05019	4.5
97.02928	2.9
97.06558	1.3
98.41559	0.5
99.00843	1.0
99.04511	0.9
101.02435	7.8
101.31403	0.5
106.04226	0.8
107.05032	0.8
109.03000	0.8
109.06572	2.9
110.03739	2.0
111.04512	1.5
111.08156	5.8
113.02429	3.9
113.09722	0.6
119.03503	1.2
123.04533	1.1
123.08158	0.9
125.02439	0.6
125.06092	0.8
125.09709	0.8
135.08096	0.6
135.11835	0.5
137.09737	0.8
140.30609	0.5
142.02748	0.6
143.03540	0.7
145.05049	1.2
149.09705	1.1
151.11349	0.6
155.10786	0.5
159.11865	0.7
159.63950	0.6
161.04570	3.9
161.09665	0.7
163.11189	0.6
165.12749	0.8
167.10774	2.9
171.10280	2.9
175.11298	2.1
177.12839	7.9
178.13165	0.9
179.05606	2.0
179.10730	1.7
179.14430	2.5
181.12363	0.6
183.13896	1.6
193.12320	1.5
195.13905	17.4
196.14368	1.5
197.11806	2.3
203.10789	3.8
205.12244	5.3
207.10306	1.2
209.11885	1.9
211.13409	6.3
212.13692	0.8
221.11821	57.2
222.12158	4.3
223.13377	43.8
223.15633	1.2
224.13681	3.6
228.13680	0.7
229.19075	0.6
235.08250	6.7
237.11201	0.6
239.12878	100.0
240.13217	8.0
241.14539	0.6
247.20654	0.8
253.09294	23.0
254.09651	1.0
256.13174	1.1
257.13861	0.7
275.20166	7.2
291.19653	36.0
292.19910	3.5
293.21225	76.2
294.21567	8.3
309.20609	1.5
457.20749	4.7
458.21185	1.2
459.22491	0.9
475.21826	15.3
476.22116	2.3
497.32440	0.8
527.28394	0.7
529.29675	0.7
679.34857	0.6
733.41010	0.6
751.42621	9.4
752.42523	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	752.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01380	6.0
61.98830	100.0
63.99256	0.6
69.03455	0.8
71.01378	5.5
71.05028	0.6
72.99303	1.0
78.95910	1.0
79.66911	0.7
80.02673	0.7
81.03490	1.2
83.01408	1.1
83.05035	2.7
85.02950	1.3
87.00887	0.9
89.02463	2.4
93.03477	1.0
95.01405	1.0
95.05046	0.7
95.81329	0.6
97.02958	3.1
97.06575	1.2
101.02455	4.9
109.02956	0.6
109.06582	7.6
111.04543	0.9
111.08179	1.5
113.02443	1.4
114.05502	0.6
119.08679	2.8
121.03022	0.8
121.06610	1.8
125.02425	1.1
125.09731	2.3
135.08179	1.7
149.60211	0.7
161.04587	1.5
163.11282	5.7
165.12898	3.0
171.10280	4.7
177.09164	0.6
179.10873	0.7
181.12405	1.2
183.13902	18.4
184.14343	1.0
184.21010	0.6
185.11827	3.1
189.09177	1.2
191.14514	1.3
197.11816	7.9
199.13400	1.5
207.10258	21.4
207.71959	0.7
209.11813	22.4
209.13779	1.2
210.12160	1.5
211.13390	17.9
212.13791	1.5
223.09793	1.3
223.13478	0.7
225.11304	21.3
227.12898	5.1
229.08232	0.6
235.08305	3.6
236.37576	0.7
245.19078	0.7
253.09305	9.9
271.17303	0.8
287.16492	1.7
288.16980	0.7
289.18100	7.6
291.19650	6.2
293.21347	1.3
305.17435	0.8
307.19254	3.7
309.20731	14.0
399.77411	0.7
443.19391	2.2
461.20453	6.8
463.21921	1.1
463.92499	0.9
483.89746	0.7
630.34015	0.7
632.38916	0.7
657.34814	22.4
658.35083	3.6
689.37366	5.7
690.38550	0.8
735.38977	3.1
745.53180	0.8
752.39276	1.8
753.40668	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	752.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98829	100.0
62.98529	0.2
69.88477	0.1
71.01386	0.3
78.95924	0.2
81.03456	0.2
83.05058	0.1
89.02413	0.1
93.03478	0.3
95.73636	0.1
96.96024	0.8
97.06569	0.1
98.19839	0.3
101.02448	0.4
104.38144	0.1
108.78485	0.1
109.06611	0.3
113.02484	0.2
119.05041	0.2
119.08677	0.3
121.06603	0.2
125.02473	0.3
125.09681	0.1
135.08195	0.5
161.42184	0.1
163.04012	0.2
163.11320	0.5
165.12875	0.2
171.10245	1.3
185.11819	0.3
197.11829	0.2
199.13402	0.2
207.10284	0.8
209.11815	4.9
209.13776	0.2
211.13454	0.6
212.13669	0.2
225.11288	0.9
227.12901	0.9
235.08308	0.3
245.19234	0.2
253.09297	0.7
289.07355	0.2
289.18097	1.3
291.16550	0.1
291.19736	0.3
307.18997	0.8
309.20786	0.5
430.32037	0.2
461.19870	0.1
462.24918	0.1
525.27319	0.2
584.05804	0.2
701.43481	0.1
725.10144	0.1
735.39661	0.3
741.72284	0.1
752.38660	0.2
753.41559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43375	0.3
52.85095	0.3
57.03441	0.9
58.00585	0.9
59.01379	6.9
59.92247	0.3
61.98826	0.5
68.98922	0.3
69.03458	2.1
70.97273	0.7
71.01376	4.7
71.05015	0.5
73.02946	1.2
81.03453	0.7
83.01387	0.6
83.05016	1.2
83.81451	0.4
85.02955	1.5
85.06586	0.6
87.00872	0.8
89.02437	3.9
93.03465	0.7
95.05016	0.9
97.02945	0.4
97.06586	0.4
99.00842	0.5
101.02440	5.2
102.80295	0.4
107.42571	0.4
109.06596	1.0
111.08153	8.0
112.08480	0.4
113.02446	2.2
119.03506	0.9
125.09702	0.5
127.07653	0.6
135.11789	0.5
141.09193	0.5
143.03516	0.5
145.05042	0.4
149.09685	0.5
153.09206	0.5
153.12816	0.9
157.05098	0.4
161.04572	2.1
163.11182	0.4
167.10780	3.9
169.12337	3.1
177.12856	1.1
179.05608	0.8
179.10788	1.8
179.14407	4.3
181.12364	0.7
183.13892	0.8
195.13904	10.0
196.14304	0.9
197.11824	41.9
198.12158	3.6
199.13364	2.5
205.12335	10.0
206.12703	0.5
211.13391	5.4
221.11832	3.9
223.13380	100.0
224.13715	7.9
227.12837	0.7
235.08205	5.2
239.12898	2.5
253.09273	19.3
254.09613	1.0
259.95905	0.4
263.20190	3.4
265.18057	1.1
273.18716	0.8
275.19946	0.4
289.92078	0.4
291.19656	17.5
292.19962	1.5
293.21228	3.3
294.21677	0.4
309.20697	59.1
310.21036	5.3
433.20471	0.6
459.22412	8.8
460.22748	1.6
515.33618	1.1
516.33954	0.4
545.29669	1.8
751.42004	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	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48974	0.7
57.03444	2.0
58.00584	1.0
59.01379	13.9
61.98824	1.1
69.03451	3.6
71.01379	9.1
73.02938	3.8
81.03453	2.0
83.01398	2.3
83.05029	7.5
85.02958	4.4
87.00892	2.3
89.02431	7.8
89.45634	0.8
94.55063	0.9
95.01377	1.5
95.05008	4.8
97.02947	2.3
97.06593	1.0
98.20699	1.7
101.02442	7.5
105.53075	0.8
107.05016	1.0
107.50272	0.9
109.06590	3.2
110.03722	2.9
111.00928	0.8
111.08155	5.7
113.02454	3.5
119.03482	1.2
121.06583	0.8
123.04428	0.9
125.02415	1.1
139.11285	1.2
141.09218	1.6
145.05133	1.1
149.09729	1.5
151.11377	1.0
161.04506	3.1
162.95805	0.9
167.10789	6.1
171.10265	2.3
175.11278	2.0
177.09164	0.8
177.12831	10.0
179.05571	1.3
179.10794	2.3
179.14339	2.2
183.13960	1.1
193.12328	2.2
195.12091	1.1
195.13892	19.0
196.14316	1.9
197.11763	5.0
203.10741	3.0
205.12318	6.1
211.13365	8.3
221.11819	59.3
222.12228	5.0
223.13376	57.3
224.13698	4.6
229.17146	0.8
235.08224	7.3
239.12865	100.0
240.13208	8.8
247.20583	1.6
253.09258	24.4
254.09633	1.3
256.13120	1.2
261.68591	0.8
273.18466	1.1
275.20120	5.6
291.19635	46.3
292.20023	3.9
293.21204	84.3
294.21509	10.1
457.20599	4.2
459.21948	1.2
475.21860	16.7
476.22266	1.0
682.35272	0.9
733.41589	1.0
751.42700	9.2
752.43085	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	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03440	1.0
59.01377	6.5
65.23406	0.4
69.03452	2.4
70.81773	0.6
71.01375	4.2
71.05012	0.8
73.02943	1.0
74.27389	0.3
81.03455	0.5
83.01366	0.3
83.05029	0.9
85.02946	1.0
85.06592	0.3
87.00856	0.9
89.02444	2.3
93.03419	0.4
95.05037	0.7
97.02945	2.1
97.06558	0.3
101.02435	4.0
101.93101	0.3
106.04272	0.3
108.05749	0.4
109.06577	1.2
111.08154	4.8
113.02441	2.2
119.03526	0.5
123.08134	0.3
125.09736	0.8
137.09749	0.7
141.09258	0.4
143.03435	0.4
145.04994	0.3
149.09671	0.6
151.11263	0.4
153.09239	0.5
153.12831	0.6
161.04568	2.0
161.13329	0.5
161.76640	0.4
163.11276	0.8
165.12846	1.6
167.10794	3.1
169.12355	1.6
171.10262	1.2
177.12831	0.9
179.05594	1.0
179.10751	1.3
179.14397	3.4
179.28670	0.3
180.14731	0.4
181.12318	0.5
183.13881	0.8
193.12317	0.4
195.12065	0.5
195.13887	9.9
196.14200	0.4
197.11824	22.4
198.12172	1.7
199.13394	1.4
205.12323	8.9
206.12627	0.9
209.11696	0.4
211.13353	3.1
212.13571	0.3
213.25856	0.3
221.11859	1.3
223.13377	100.0
224.13719	7.4
225.11224	0.5
227.12901	1.4
235.08226	4.4
239.12866	0.7
247.20724	1.4
253.09279	15.2
254.09625	0.5
263.20093	0.9
265.18097	0.8
273.18637	1.1
291.19647	18.7
292.19879	2.1
293.21286	0.9
309.20697	48.9
310.21091	5.7
338.81940	0.3
433.20871	0.4
441.21027	0.6
459.22382	10.5
460.22849	1.5
515.33942	0.7
527.28693	0.6
545.29462	1.4
751.42242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01385	9.9
61.98830	6.3
63.97321	0.7
69.03432	1.3
69.50732	0.8
71.01387	6.0
73.02949	1.4
77.58963	0.8
83.05020	1.8
84.37563	0.8
85.02940	2.2
87.00880	2.2
89.02422	2.7
95.04992	1.0
96.96000	3.7
97.06584	1.9
98.19927	1.8
100.06402	0.8
101.02456	3.9
109.06571	1.0
111.08106	1.2
113.02420	2.6
119.03524	1.1
125.72903	1.0
133.86232	0.8
145.05061	1.2
158.33051	0.7
159.11777	1.3
160.39648	0.7
167.10606	0.9
177.12862	15.5
178.13235	1.4
179.14334	1.0
195.13907	75.1
196.14249	4.8
197.11682	1.5
207.10258	1.9
209.11940	1.2
211.13484	1.2
221.11823	4.7
223.13368	9.3
225.11327	1.1
235.08173	2.4
239.12877	7.3
239.16611	1.1
240.71239	1.0
253.09308	6.1
253.22621	0.8
275.19995	4.2
289.18100	1.5
291.19629	2.8
293.21216	29.3
294.21588	3.2
307.19254	1.0
309.20639	4.5
457.20718	2.3
458.21313	1.0
471.11475	0.8
475.21732	5.7
476.22549	1.0
751.42731	100.0
752.43011	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.98829	100.0
62.98531	0.3
71.01399	0.3
71.51881	0.2
83.01424	0.3
83.05025	0.4
85.03011	0.2
88.98802	0.4
96.86474	0.2
97.02950	0.3
97.56026	0.2
101.02448	0.3
111.04532	0.3
113.02429	0.2
114.57090	0.2
116.92889	0.5
125.02454	0.4
135.08176	0.2
136.57121	0.2
137.02568	0.3
142.23618	0.2
154.13066	0.2
161.04533	0.2
163.11302	0.3
171.10284	0.5
183.13869	0.2
185.11858	0.2
197.11862	0.4
207.10266	0.4
209.11809	3.0
210.12177	0.9
211.13367	3.9
211.15149	0.3
212.13722	1.9
223.09766	0.8
223.13287	0.2
225.11378	0.6
227.12964	0.6
228.13203	0.3
235.08344	0.3
253.09323	0.5
287.16537	0.2
289.18173	0.3
291.19736	0.2
293.21429	0.3
293.93076	0.2
305.17657	0.2
309.20804	0.4
399.78787	0.2
447.22314	0.4
448.22678	0.4
538.79742	0.2
589.25574	0.2
733.38409	0.4
751.39124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01374	2.1
61.98827	100.0
69.03449	0.9
71.01378	2.4
71.52380	0.5
72.99296	0.4
73.02956	0.5
75.19478	0.4
78.95884	0.4
80.02689	0.6
81.03455	0.5
83.01408	0.6
83.05029	2.4
84.02176	0.5
85.02953	1.0
87.00882	0.7
88.98824	0.7
89.02458	1.7
95.05019	0.5
96.96020	0.8
98.77660	0.4
101.02444	2.4
109.02956	0.7
113.02448	1.3
119.03522	0.6
123.04664	0.5
125.02446	2.5
127.33219	0.4
135.08090	0.5
137.02419	1.1
151.03978	0.7
151.11328	0.8
153.12917	0.6
161.04536	0.7
162.06828	4.3
163.04034	0.5
163.11316	1.7
165.12907	1.5
167.03503	0.6
169.12332	10.9
170.12628	0.4
171.10249	0.6
177.09283	0.7
181.12267	0.5
188.04845	1.0
197.11818	22.3
198.12181	1.7
201.11298	0.7
203.07234	0.5
209.11809	30.1
210.12178	2.2
221.08156	4.3
227.12840	2.4
247.06186	0.7
253.09241	2.5
289.07288	0.7
687.32263	10.7
688.32269	2.2
689.32312	0.7
719.34845	17.0
720.35114	4.0
751.38007	17.7
752.38293	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	749.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30456	1.2
59.01369	1.4
61.98831	11.7
67.45628	1.1
71.01393	7.2
71.49194	1.7
72.99277	1.2
73.02917	1.4
78.95898	6.8
78.98570	5.3
79.95734	15.8
80.96517	79.7
85.02926	2.7
87.00870	3.5
94.98100	15.2
96.96020	2.6
97.02917	1.5
101.02415	2.2
106.98084	3.6
110.98545	2.7
122.97588	6.7
125.02432	3.8
134.97617	7.2
148.99142	8.0
152.98613	5.4
152.99661	2.2
161.19135	1.2
164.98621	13.0
167.01141	1.8
206.99612	3.5
209.11868	7.0
211.06160	1.2
211.13306	1.8
225.00731	20.8
255.23265	11.7
256.23602	2.7
273.65103	1.3
493.17645	3.0
537.27124	1.3
749.41351	100.0
750.41595	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	750.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87887	0.3
59.01373	2.3
61.98829	100.0
62.09181	0.2
71.49310	0.3
71.49718	0.4
73.65490	0.3
89.02496	0.3
109.06551	0.3
117.31607	0.2
118.28960	0.3
136.95030	0.3
144.11368	0.2
177.09094	0.3
204.01379	0.3
207.10284	0.5
223.13451	0.4
276.67715	0.3
293.21317	0.3
330.65903	0.3
366.60648	0.3
386.48294	0.3
616.20496	0.4
617.20721	1.8
750.23846	2.1
751.24036	0.4
751.39850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03447	1.8
59.01069	0.4
59.01373	6.8
61.98832	2.8
64.56874	0.3
68.57372	0.3
69.03458	2.6
71.01378	4.9
71.05019	2.2
72.99301	0.3
73.02944	1.0
75.00845	0.5
78.95891	0.5
80.02715	0.4
81.03458	1.2
82.95417	1.4
83.01366	0.4
83.05008	1.4
85.02947	1.3
85.06599	0.5
87.00883	1.3
89.02437	3.1
93.03465	0.4
95.01390	0.5
95.05009	1.9
97.06615	0.5
98.03722	0.6
101.02447	4.5
106.04232	0.6
109.06591	8.1
111.04519	2.9
111.08177	1.2
113.02438	2.5
119.03522	0.9
121.06598	0.8
123.08165	1.7
123.23728	0.4
125.02401	0.5
125.09724	0.5
127.07661	1.4
135.08131	0.8
137.09715	0.5
141.09131	0.5
143.10773	0.8
145.05084	0.5
145.06596	1.5
149.09691	1.6
151.11281	0.6
152.99586	0.4
161.04543	1.7
161.13284	0.3
163.11327	0.6
167.10768	4.9
169.63094	0.3
171.10257	0.7
177.12808	1.2
179.05618	0.9
179.10791	1.6
179.14420	3.5
181.12332	0.3
195.13884	10.5
196.14259	0.9
205.12329	8.4
206.12677	0.5
209.11800	0.5
217.16122	0.4
223.13383	85.2
224.13737	5.7
229.15961	0.4
235.08214	4.1
235.13423	0.9
237.11403	0.3
237.14977	3.7
245.19072	3.9
249.14888	0.4
251.16495	0.6
253.09254	10.4
254.09645	0.7
255.23251	0.7
256.23608	0.4
271.16965	0.9
273.15073	0.5
275.16571	1.7
275.19275	0.3
281.24744	0.4
287.16605	1.4
289.18088	100.0
290.15234	0.5
290.18457	9.7
291.19598	0.7
293.17569	0.9
293.21396	0.4
307.19159	5.8
308.19290	0.7
385.23883	0.6
403.24609	0.4
437.26932	1.9
441.21381	0.9
455.27902	1.7
459.22363	7.8
460.22778	0.9
495.31335	1.7
507.26126	0.3
513.32233	1.2
525.27045	4.4
526.27637	0.5
529.31720	0.4
531.04449	0.3
621.32800	1.0
647.35126	0.4
654.67773	0.4
673.35669	2.0
674.36664	0.8
675.52130	0.3
691.37042	0.6
696.14435	0.4
713.38800	0.6
721.42523	0.4
731.40186	2.4
732.40350	0.7
749.41302	0.7
749.52844	0.9
750.41351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03448	1.3
59.01376	8.0
59.41653	0.4
61.98834	0.8
65.03952	0.4
69.03442	3.0
71.01381	5.6
71.05016	2.6
73.02952	0.9
80.02666	0.5
81.03457	1.4
81.35457	0.4
83.01390	0.4
83.05032	1.6
85.02942	2.2
85.06577	0.5
87.00888	1.3
89.02444	3.4
93.03471	0.9
95.01406	0.8
95.05040	1.6
97.06597	0.8
98.03701	0.7
99.00845	0.5
99.08261	0.4
101.02444	3.9
105.43418	0.4
106.04226	0.9
109.05890	0.7
109.06599	9.0
110.06951	0.4
110.27274	0.4
111.04517	3.0
111.08144	2.4
113.02441	2.5
119.03548	0.7
120.05814	0.5
121.06544	0.5
123.08168	1.2
125.02507	0.5
125.09710	0.5
125.28287	0.4
127.07662	1.3
135.08121	0.8
137.09769	0.6
143.10803	1.4
145.05069	0.8
145.06590	1.7
149.09752	2.8
161.04594	2.0
161.13353	0.7
163.11340	0.5
165.09193	0.4
167.10777	5.0
177.12895	1.6
179.05624	0.6
179.10780	2.2
179.14433	3.6
181.12349	0.9
187.11279	0.5
195.13913	14.0
196.14233	0.8
205.12340	10.1
206.12654	0.8
209.11827	2.8
223.13390	98.7
224.13747	7.7
235.08228	4.9
235.13429	1.1
237.11270	2.2
237.15051	2.3
245.19006	3.4
251.16475	0.8
253.09279	13.6
254.09628	0.7
271.16995	1.2
273.15134	0.6
275.16531	1.4
275.39749	0.4
287.16547	2.0
289.18085	100.0
290.18445	11.0
293.18127	0.5
293.21008	1.9
307.19238	5.4
308.19550	1.0
363.57901	0.5
437.27100	1.8
438.27090	0.4
441.21475	0.6
455.28055	1.6
459.22272	7.4
460.22836	0.8
473.20016	0.6
477.30481	0.5
495.31033	1.6
513.32068	1.3
525.27332	2.3
526.26794	0.7
563.67657	0.5
673.35736	2.0
731.40253	2.3
749.40887	1.3
750.42023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98830	100.0
62.98545	0.2
62.99247	0.1
71.01379	0.1
75.00885	0.6
76.33952	0.1
89.02434	0.2
97.06584	0.1
125.09762	0.2
131.26736	0.1
142.28427	0.1
157.32808	0.1
188.10181	0.1
207.10358	0.1
207.42426	0.1
211.13464	0.4
212.13676	0.2
223.13371	1.1
224.13794	0.1
225.13785	0.2
235.13326	0.2
253.09338	0.2
255.23378	0.2
256.23676	0.2
289.18170	0.5
307.19238	0.4
371.18195	0.2
397.52371	0.1
420.59399	0.1
427.24841	0.1
552.97437	0.1
748.40277	0.2
749.38800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.2
61.98825	4.1
69.89928	2.8
70.04649	9.5
71.01376	18.1
78.95895	13.9
89.02444	24.5
94.09711	2.5
101.02446	16.1
113.02488	6.5
119.03489	16.6
119.14704	2.3
143.03477	4.1
149.04474	3.3
152.99586	7.8
179.05617	10.5
209.54301	2.6
225.22298	3.8
255.23314	24.8
256.23657	15.2
271.22739	4.2
276.40146	3.1
278.24905	3.0
281.24872	9.3
282.25131	4.8
532.47467	14.5
550.48633	7.1
574.11987	2.9
685.44513	4.0
712.53613	100.0
713.54010	28.5
748.51831	37.3
749.51227	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	749.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
58.95546	0.5
59.01376	8.4
61.98830	4.5
62.06883	0.5
67.25636	0.6
69.03442	3.2
70.75974	0.5
71.01382	7.9
71.05021	0.9
72.99282	0.7
73.02944	1.3
81.03442	1.5
83.01387	2.2
83.05028	1.6
83.30532	0.4
84.51975	0.5
85.02949	2.3
87.00867	2.0
89.02438	3.3
93.03429	0.8
95.01315	0.5
95.05013	1.7
97.02951	1.3
97.06596	3.7
98.19858	1.6
99.00881	0.7
101.02446	6.0
107.05086	0.6
109.06584	2.1
110.03749	0.5
111.08154	0.8
113.02450	3.0
119.03513	1.2
119.08652	0.7
121.06608	1.3
123.04494	1.3
123.08157	1.3
125.02454	0.5
125.09727	5.1
135.11778	0.6
137.09729	2.0
143.03471	0.8
145.05055	1.0
149.09735	0.9
151.11237	0.6
153.66075	0.5
161.04568	1.6
161.09669	0.5
163.11282	4.4
165.12869	1.2
167.10782	3.5
173.09616	0.6
177.12814	2.0
179.05562	0.9
179.10742	1.6
179.14397	4.0
181.12357	1.1
185.11809	7.3
186.12120	0.7
189.12909	0.6
191.14420	4.4
195.13893	13.9
196.14224	1.0
197.11841	0.5
203.14404	0.6
205.12308	10.8
206.12679	0.9
207.10277	2.6
209.11816	12.1
210.12122	0.8
217.15941	0.8
219.13809	0.6
223.13379	100.0
224.13747	6.6
225.11314	1.9
227.14566	0.6
229.59921	0.7
235.08224	4.5
237.11243	2.6
245.15399	1.8
245.19089	8.7
246.19511	0.5
247.13356	0.9
247.16844	0.6
253.09282	14.6
254.09651	1.0
255.23303	0.7
256.23694	0.5
263.20078	2.9
271.17017	1.1
289.18079	42.2
290.18491	3.6
291.19608	2.0
293.21313	0.8
307.19135	38.3
308.19382	3.2
397.23557	2.4
405.26508	0.6
415.25031	2.7
433.25983	1.0
459.22375	5.6
477.30289	0.8
495.31171	2.5
513.32501	3.4
525.27039	1.1
531.33197	1.1
543.28259	0.9
633.32776	10.1
633.42499	1.0
634.33569	2.4
649.55695	0.6
651.33911	3.6
690.56750	0.6
713.38672	3.5
714.39899	0.6
731.40137	2.3
749.41040	6.4
750.41290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26259	1.0
59.01381	6.9
61.98535	1.5
61.98832	23.9
68.99557	1.5
71.01369	3.3
71.51624	1.3
71.63327	1.0
72.99305	1.5
75.00867	1.5
81.76820	1.2
87.00907	1.2
88.98807	5.1
89.02441	3.1
91.00076	1.1
97.02953	3.4
99.00889	6.0
101.02462	2.8
107.45442	1.0
109.06586	1.6
110.03727	1.2
112.98531	1.6
120.24495	0.9
125.02407	3.5
125.09714	2.3
142.02724	1.7
149.02336	1.0
151.03960	2.1
163.11230	4.6
171.10278	2.3
172.37433	1.1
181.12350	9.6
182.12610	1.2
183.13881	7.3
197.11798	1.5
201.11197	1.5
207.10243	23.1
209.11809	3.5
211.13390	100.0
212.13673	6.0
223.13310	3.2
224.78033	1.2
225.11322	44.4
225.13582	2.1
226.11624	3.3
227.12846	1.4
235.08299	1.5
243.12297	6.3
253.09256	3.6
255.23274	2.4
280.22308	1.0
443.19061	2.6
447.22415	5.3
461.20367	11.5
637.32373	3.9
655.33319	23.5
656.33191	5.9
746.74957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98829	100.0
62.98519	0.2
69.09711	0.2
75.00880	0.5
77.73675	0.1
78.95912	0.3
125.09735	0.2
141.04417	0.2
143.39130	0.1
152.99577	0.3
199.25078	0.2
207.10471	0.2
211.13434	0.4
212.13568	0.2
223.13330	1.6
230.87849	0.1
253.09464	0.2
255.23329	1.4
256.23633	0.7
281.24902	0.4
282.25327	0.3
289.18198	0.5
307.19275	0.3
748.52490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5025
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
61.98829	2.8
62.80974	1.1
78.95909	30.9
96.96937	4.0
152.99594	28.3
160.02951	1.2
171.00638	3.9
202.24345	1.2
214.26491	1.2
227.03252	2.9
251.21185	1.3
253.21719	11.5
254.22040	1.5
255.23294	100.0
256.23615	8.0
279.23267	37.7
280.23618	3.7
281.24869	36.6
282.25122	5.5
283.26373	2.8
294.21555	1.6
311.22400	1.9
412.44626	1.3
415.22647	4.4
415.89243	1.5
465.26349	1.5
507.27399	2.7
509.28781	28.2
510.28931	4.2
543.50385	1.4
745.50226	46.6
746.50610	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	746.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98548	0.2
105.24533	0.1
106.87381	0.1
107.08562	0.2
181.29527	0.1
192.09253	0.1
229.50655	0.2
280.48141	0.1
299.13373	0.1
488.18573	0.2
518.85461	0.2
745.50092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98819	4.9
66.18469	1.2
77.50606	1.4
78.95895	1.7
98.20671	3.3
110.02638	1.3
148.76974	1.1
148.84828	1.2
171.10216	1.4
229.45876	1.9
255.23160	2.6
294.22672	1.3
326.95728	1.3
368.06934	1.3
455.17157	3.5
467.13278	1.6
473.18253	3.9
483.12579	1.6
496.14154	2.2
497.14615	1.8
511.15973	1.5
512.13434	8.3
513.13684	4.0
526.14972	11.8
527.15283	3.2
569.16650	1.4
599.17896	1.4
600.19122	2.3
601.19202	4.5
613.19354	3.0
614.20154	74.3
615.20435	20.4
632.17255	1.6
646.19055	10.4
647.19263	3.6
687.22955	5.3
688.23608	1.5
747.25165	48.2
747.38470	2.4
748.25330	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01377	0.3
61.98839	0.3
69.50385	0.4
69.50792	1.2
72.99303	7.1
72.99679	0.5
73.02928	1.3
85.02947	20.2
86.03306	0.4
93.03461	0.6
95.01429	0.2
96.95968	0.3
101.02419	1.6
103.04023	1.5
111.00883	1.5
117.03445	0.2
119.05022	27.0
120.05357	1.3
121.02982	1.0
123.04538	0.3
125.02477	1.0
126.02720	0.3
129.01939	10.2
137.02406	0.5
147.02989	100.0
148.03340	3.1
163.04001	36.3
164.04350	1.9
178.13162	0.2
179.03389	0.3
183.36687	0.2
203.07368	0.3
231.13782	0.4
289.07129	0.5
293.06680	3.8
294.07013	0.4
403.15866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56078	0.3
59.01383	0.5
61.98832	100.0
62.65913	0.3
74.48915	0.3
78.95938	0.8
93.14848	0.3
98.20273	2.4
107.71494	0.3
152.99571	0.5
209.11893	0.5
214.22632	0.3
253.21745	0.4
255.23332	1.1
279.23291	0.6
280.23874	0.4
281.24789	0.8
509.28799	0.4
625.97815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
59.01105	1.0
59.01379	12.2
61.98826	6.1
69.03463	2.0
71.01379	3.2
71.50043	0.8
72.03754	0.6
72.99265	0.8
78.95892	2.6
85.02963	0.9
87.00921	0.7
89.02457	1.7
101.02431	2.5
104.74945	0.6
112.62034	0.6
113.02449	1.3
119.03501	0.6
125.09736	0.6
152.99594	2.5
161.04468	1.3
167.10762	2.6
171.10283	1.8
179.14420	2.1
183.13892	6.1
193.12325	1.9
195.13899	7.3
205.12320	6.6
206.12650	0.8
209.11812	0.7
211.13383	100.0
212.13719	7.4
223.13390	65.4
224.13759	4.8
235.08142	3.1
236.06464	0.6
253.09268	6.5
253.21660	1.0
255.23280	4.4
279.23349	1.9
281.24796	3.9
328.41934	0.7
399.25104	0.8
417.26624	1.1
426.93848	0.5
429.21307	0.8
441.21091	2.3
442.21936	0.8
447.22363	10.4
447.28152	1.1
448.22751	1.4
459.22339	9.5
460.22781	1.7
509.28766	3.5
635.34521	4.0
636.34631	0.9
653.35309	4.8
654.35504	0.8
745.50330	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	743.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.3
58.00569	1.0
59.01387	7.4
61.98828	58.0
71.01378	5.1
71.05015	2.4
78.95902	46.0
84.71014	1.0
86.91780	1.1
87.00880	1.3
89.02454	1.5
92.77483	1.0
94.43275	1.1
96.96952	3.4
97.02932	2.4
97.06574	1.6
99.00896	10.4
101.02435	3.9
109.06554	1.8
113.02441	1.6
125.09742	6.2
133.01472	1.2
136.05244	1.1
142.02664	1.4
151.56683	1.0
152.98372	1.7
152.99582	24.8
161.04526	2.2
163.11284	5.5
171.10297	5.3
181.12341	9.1
195.13855	3.5
197.11841	3.1
199.13373	10.8
201.11377	1.1
207.10277	16.0
208.10597	1.4
211.13307	2.7
225.11311	32.1
225.13531	2.1
235.08238	1.7
243.12407	6.8
245.60057	1.3
253.09268	3.8
255.23297	2.4
277.21695	3.7
281.24841	80.4
282.25076	7.6
293.21155	4.1
295.22818	12.2
296.23010	1.1
311.22275	8.7
367.10101	1.3
431.21994	7.7
432.22421	1.9
443.19363	1.5
447.21527	7.5
449.22742	1.5
461.20416	1.4
465.22397	2.9
658.63037	1.2
700.00641	1.4
725.44824	3.9
743.45721	100.0
744.45984	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	743.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
57.13172	0.5
59.01380	30.3
61.98831	9.6
67.63465	0.5
71.01388	4.4
73.02949	1.1
78.95910	0.9
83.01390	0.6
85.02952	1.0
89.02444	2.9
90.85918	0.5
97.06611	1.0
98.19876	1.2
101.02427	3.8
113.02470	2.1
119.03497	0.8
125.09738	1.2
127.11303	1.4
130.64177	0.6
137.44417	0.5
140.04155	0.5
146.02290	0.5
151.11278	4.5
153.09178	0.6
161.04504	1.3
169.12337	33.4
170.12669	2.5
171.10268	85.4
172.10603	4.7
179.05663	0.6
195.13924	3.7
197.11971	1.1
201.11336	0.9
209.11775	0.6
211.13437	0.8
213.11314	4.8
214.11711	0.6
215.12865	1.1
223.13437	2.1
231.12341	4.3
232.60194	0.6
235.08205	1.9
237.75870	0.5
253.09276	5.9
275.20203	1.5
281.24707	0.6
286.67535	0.5
293.21234	16.4
294.21506	2.0
309.20648	0.7
407.19095	1.9
449.20166	1.7
467.21555	3.1
725.40973	4.0
743.42126	100.0
744.42542	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	743.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.2
59.01388	22.2
61.98832	100.0
71.01382	17.8
73.02939	8.8
87.00883	10.5
87.04459	4.2
88.98801	10.4
89.02463	9.1
96.11134	5.4
96.96027	7.1
97.68276	4.0
99.00882	4.8
101.02439	13.1
105.76100	4.7
113.02464	8.2
119.05009	18.1
123.00910	4.6
123.08221	5.1
125.02422	13.3
135.04524	6.7
137.02478	5.0
149.02444	5.7
153.06766	4.3
154.30238	4.4
161.04538	4.6
163.04004	12.1
163.11281	6.4
171.10262	18.6
185.11839	4.5
197.11826	26.9
199.09854	7.3
199.13448	6.6
201.11261	14.8
207.10306	8.6
209.11845	93.9
210.12199	7.6
211.13411	9.5
219.33089	5.6
225.11353	20.3
227.12910	27.3
228.13239	5.1
253.09320	12.3
289.07266	7.8
291.19601	7.8
309.20660	53.8
310.21051	4.8
355.24930	4.6
357.26511	26.6
373.25934	18.7
375.27264	9.5
397.13559	14.8
415.14529	25.2
425.75534	5.0
450.68240	5.0
640.01691	5.7
707.35132	7.4
725.31763	5.5
743.32281	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88128	0.6
57.03456	1.2
59.01379	31.1
61.13975	0.6
61.98827	6.1
65.02215	0.8
71.01049	0.7
71.01369	3.8
78.95927	0.9
83.01413	0.8
85.02940	0.8
89.02429	1.9
95.05003	0.9
101.02444	3.2
113.02455	2.1
127.11275	1.1
151.11264	3.4
152.11630	0.9
152.99559	0.8
161.04538	1.1
167.10799	1.0
169.12335	27.3
170.12688	1.9
171.10263	44.3
172.10596	1.7
183.13898	0.8
185.11829	0.8
195.13905	6.0
197.11835	2.8
209.11911	0.8
211.13264	1.1
213.11324	1.3
215.12833	1.1
215.87137	0.8
223.13371	4.9
229.07002	0.7
231.12407	1.4
232.00116	0.7
235.08173	1.0
253.09273	4.7
275.20200	4.0
279.23401	1.0
293.21222	32.8
294.21481	4.1
311.22134	1.0
449.19937	1.8
640.50702	0.9
725.41455	3.8
726.42047	1.0
743.42212	100.0
744.42548	24.9
773.60327	0.9
774.08789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01377	1.8
61.98802	0.4
71.01390	0.6
75.26228	0.4
78.95901	16.0
95.47620	0.4
110.98530	9.7
112.58847	0.4
113.09730	2.6
143.96922	0.4
152.99593	3.0
155.98247	0.4
163.52817	0.4
167.01144	3.3
177.12822	0.5
179.14395	1.5
181.12364	0.8
195.13892	20.7
195.78830	0.4
196.14250	1.1
229.03918	0.5
253.21721	1.0
269.25629	0.4
277.05328	0.4
277.21713	20.8
278.22107	1.8
279.23288	1.4
281.24878	1.0
293.21179	0.7
295.22763	100.0
296.19727	0.6
296.23120	9.5
416.77719	0.4
445.23587	1.4
463.24661	5.7
464.24707	0.7
505.25897	4.5
640.63495	0.4
741.47064	33.2
742.47198	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	743.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	15.7
61.98829	10.0
69.78818	4.6
81.03479	1.7
83.01391	3.4
84.35110	0.8
88.98803	1.3
93.03444	2.2
96.96021	1.5
97.02969	1.2
99.92585	1.3
107.04990	1.1
109.02936	8.3
111.00860	1.2
116.92854	7.5
117.03477	1.9
119.05028	2.7
121.02953	2.1
123.04492	4.9
125.02440	100.0
126.02802	3.6
133.02977	5.2
134.03714	0.9
135.04491	2.6
135.12743	1.0
137.02431	23.4
139.03995	1.2
145.02919	6.4
149.02452	3.8
150.03181	1.7
151.04041	6.6
159.04460	4.9
161.02438	25.8
161.06042	3.5
162.03012	1.7
163.00377	2.3
163.04021	6.0
164.01105	1.5
165.01935	4.7
168.00641	1.2
171.10181	1.1
175.03993	11.1
177.01920	12.2
179.03580	1.2
183.04478	1.1
185.06071	3.2
187.04022	7.0
193.04965	1.6
193.71440	1.0
197.06119	1.1
199.03979	3.5
201.05583	3.0
201.11243	1.9
203.03508	1.5
203.07191	3.5
205.05023	2.4
209.11900	1.3
211.03935	1.4
213.05531	1.2
217.05042	2.9
219.03073	1.4
220.99017	1.0
225.05556	2.1
227.03490	2.4
227.07045	1.2
229.05081	4.7
237.05676	1.4
241.05054	1.6
243.02919	10.8
245.04512	4.0
245.08244	3.9
253.04976	3.6
253.09303	1.3
255.02977	8.4
256.03568	1.0
267.03015	1.9
269.04550	2.5
271.06088	12.3
273.04065	5.8
281.04651	1.6
285.03976	2.2
287.05621	10.4
289.07141	14.7
292.79361	1.0
299.05588	7.4
321.07629	1.2
339.08392	1.3
363.08685	1.7
381.09775	1.5
389.06680	10.9
390.07172	1.4
407.07623	16.3
408.08044	2.9
411.18237	1.2
423.14490	1.1
425.08923	2.5
433.09421	4.5
451.10266	2.5
455.16891	4.3
559.12506	3.1
573.17426	15.4
574.17963	2.2
577.13342	2.9
581.20721	2.0
591.18591	19.6
592.18768	3.7
617.20020	4.7
618.21014	0.9
743.22095	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	741.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
59.01376	10.5
60.27031	1.0
61.98834	6.2
63.02718	1.0
64.81769	1.0
69.03449	1.6
71.01376	6.8
73.02961	2.0
83.05041	2.4
85.02927	1.9
87.00865	1.9
89.02456	4.4
89.07505	0.8
95.04982	1.4
97.02943	3.0
97.06581	3.6
99.00916	1.0
101.02459	6.6
111.08149	3.5
113.02438	2.7
119.03464	2.1
125.02452	1.3
137.09709	1.3
149.09740	2.4
151.11267	13.2
161.04517	1.7
165.12814	2.1
167.10754	2.3
169.12335	75.6
170.12646	4.2
171.10278	4.7
183.13872	2.4
185.11816	4.5
195.10182	2.8
195.13960	2.2
196.14299	1.1
197.11832	12.8
199.13365	2.8
209.11778	5.7
210.12125	3.0
211.09775	1.7
211.13509	7.1
212.13683	2.3
213.11290	15.1
214.11732	1.3
223.13345	1.6
227.12894	4.6
228.13089	1.7
229.14276	3.1
235.08174	3.9
239.12718	1.3
253.09276	10.0
254.09593	1.9
273.18536	1.2
291.19669	10.9
292.19885	1.6
293.21292	8.4
294.21478	6.6
295.22018	2.3
309.20654	15.5
310.21103	2.4
327.21710	1.4
384.63409	1.0
431.19336	5.3
449.20313	7.3
499.32349	1.2
528.47815	1.0
639.41028	1.0
723.40411	1.7
733.41022	1.1
741.40637	100.0
742.40973	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	741.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91947	0.8
57.03430	1.6
59.01381	6.9
61.98817	2.3
67.71499	0.8
70.91614	1.0
70.91940	1.5
71.01385	6.1
73.02937	2.2
78.10942	0.7
83.05016	1.1
83.74685	0.8
85.02940	2.4
87.00847	1.8
89.02424	2.9
97.06570	1.0
101.02448	4.8
109.06552	1.1
111.08146	1.1
113.02436	1.5
113.09710	2.5
119.03503	1.1
141.05106	0.8
161.04514	2.8
165.12839	9.7
171.10274	2.9
177.12811	0.9
181.12389	0.9
183.13901	80.6
184.14233	4.8
195.13907	17.6
196.14334	1.0
199.08476	0.8
199.13483	2.5
200.13713	1.8
201.11345	1.1
205.57211	0.9
209.11816	4.6
210.12274	0.8
211.13397	5.8
212.13718	1.5
225.11313	1.4
227.12869	6.3
228.13289	1.1
235.08159	2.9
253.09277	9.6
275.19971	0.9
277.21713	18.8
278.22009	3.5
291.19443	0.8
293.21271	3.6
294.21545	1.4
295.22787	77.2
296.23120	6.5
311.22186	3.5
445.20670	2.3
463.21982	2.4
741.44299	100.0
742.44647	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03445	2.0
58.00584	0.8
59.01377	8.1
61.98829	2.7
69.03461	1.5
71.01374	5.7
71.50308	0.5
73.02944	1.6
78.95893	0.6
81.03450	1.1
83.01368	1.2
83.05029	0.9
85.02966	1.8
87.00861	1.0
89.02450	4.5
89.57713	0.5
92.95116	0.5
95.01394	0.7
95.05035	1.5
97.02950	3.2
97.06583	4.9
101.02448	5.0
104.25417	0.5
105.45674	0.5
109.66058	0.5
111.08138	1.7
113.02469	2.8
119.03478	1.1
125.02501	0.7
125.09725	1.3
137.09698	0.7
137.98706	0.5
143.03465	0.7
149.09778	0.8
151.11276	17.3
158.79214	0.5
161.04576	1.8
163.11348	0.8
165.12772	1.3
167.10802	0.6
169.12334	98.5
170.12653	4.7
171.10193	3.4
179.05534	0.7
179.14532	0.5
183.13933	0.7
185.11829	2.3
195.10287	2.8
195.13911	0.8
197.11818	8.7
198.12080	0.7
199.13329	0.8
207.10307	0.7
209.11813	6.9
210.12141	0.8
211.13437	4.3
212.13644	0.6
213.11325	12.3
227.12888	2.9
228.13260	0.8
235.08263	2.6
247.20584	0.9
253.09328	4.9
273.18643	0.7
277.21533	0.7
290.18350	0.6
291.19647	7.3
292.19824	0.8
293.21329	1.5
294.21594	1.2
295.22836	2.8
309.20709	7.7
310.21097	1.2
313.23074	0.6
327.21811	1.5
431.19138	3.2
449.20264	7.3
450.20462	0.9
741.40649	100.0
742.41052	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	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01378	8.9
61.98830	5.8
69.03450	1.6
71.01379	6.9
73.02924	1.7
78.95919	1.0
83.01386	1.2
83.05024	1.8
85.02955	1.9
87.00869	2.1
89.02441	2.8
95.05028	1.2
97.06577	3.8
98.20709	1.8
101.02457	5.0
111.08146	4.2
113.02449	2.8
125.09679	1.2
125.98431	1.0
127.07660	1.3
151.11273	13.6
161.04524	1.9
165.12746	1.0
167.10719	1.2
169.12332	61.0
170.12650	3.2
171.10214	3.2
185.11810	14.9
195.10228	3.2
195.13884	3.6
197.11839	24.2
198.12086	1.8
199.13416	6.7
200.13718	1.7
209.11833	18.2
210.12158	2.9
211.13387	9.3
212.13704	1.7
213.11264	8.8
227.12883	9.7
228.13124	2.5
235.08255	2.1
253.09236	8.8
263.20032	1.2
277.21658	2.4
291.19626	5.6
293.21231	8.3
294.21497	4.7
295.22763	14.1
296.23260	1.7
309.20609	9.9
310.21091	2.2
311.22113	1.6
334.87259	1.0
413.27826	1.1
431.19232	2.5
449.20279	4.3
463.21442	1.4
486.27826	1.0
741.40668	100.0
742.40948	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01833	1.5
59.01385	2.2
61.98835	14.8
67.24711	1.4
69.57497	9.1
71.01357	2.2
83.05036	2.5
96.96070	1.6
102.91774	1.5
114.44077	1.6
161.04619	1.7
171.10226	1.9
178.40550	1.6
200.11482	1.6
201.80585	1.5
209.11826	100.0
210.12167	7.7
227.12875	21.8
228.13251	1.8
235.08188	2.0
235.65282	1.7
248.54680	1.8
253.09207	5.7
445.20728	7.4
523.39862	1.7
637.31799	2.0
741.34375	18.4
742.34845	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	741.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56552	3.0
57.05394	3.0
59.01370	9.5
61.98829	100.0
66.38905	3.4
68.83728	3.3
70.83576	8.3
71.01369	10.6
72.99297	6.3
80.91634	4.0
83.04980	3.5
83.44804	3.2
88.98804	11.0
89.02449	6.3
96.95991	3.9
101.02439	4.2
122.80492	3.7
125.02432	10.8
133.92247	3.3
163.11285	5.5
165.01877	5.0
171.10242	15.0
181.05042	3.7
197.11852	4.9
199.09802	5.6
199.13269	4.3
201.11307	8.2
207.10252	8.0
209.11806	81.4
210.12163	5.5
211.13368	5.7
212.75519	3.7
215.12892	3.9
225.11288	8.8
227.12852	22.8
253.09215	7.9
284.30600	3.6
445.20746	5.6
479.23306	4.8
741.34686	18.5
742.36328	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	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08524	0.7
57.03444	4.0
59.01380	9.6
61.98827	9.9
67.15263	0.7
69.03455	1.2
71.01379	7.1
71.50382	0.7
71.73354	0.9
75.00876	1.9
85.02943	1.6
87.00877	2.0
89.02440	3.6
97.02884	0.8
97.06586	2.9
101.02442	4.8
113.02439	3.2
114.80367	0.7
123.08121	1.9
125.09718	4.3
137.09666	0.9
139.11285	2.8
141.12814	1.9
143.03606	0.9
143.84671	0.7
151.11311	2.0
161.04588	1.4
167.10751	4.8
169.12340	12.3
170.12701	1.0
171.10202	2.3
171.69527	1.1
173.51329	0.8
185.11819	47.8
186.12143	3.1
195.13907	10.1
197.11838	1.7
199.13394	2.1
200.13715	1.4
205.12372	1.3
209.11816	10.8
210.12154	1.8
211.09842	1.1
211.13417	5.5
212.13673	1.7
213.11282	2.7
221.78160	0.8
223.13417	3.4
227.12907	6.9
228.13261	2.9
229.14175	1.0
235.08211	1.8
253.09315	8.5
254.09550	1.3
275.20227	3.6
277.21783	1.5
291.19626	2.4
292.19934	1.1
293.21210	36.0
294.21533	7.2
295.22760	11.8
309.20734	4.5
310.20917	1.0
311.22330	1.1
434.15170	0.9
449.20273	1.3
465.20206	0.8
741.40662	100.0
742.40991	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.2
59.01379	0.9
61.98830	100.0
62.35003	0.2
62.98494	0.2
71.01385	0.8
73.02943	0.2
73.03960	0.2
85.02993	0.2
96.96006	1.1
99.00883	0.8
101.02469	0.3
108.03233	0.2
111.08106	0.2
125.09679	0.2
163.11327	0.4
171.10226	1.2
172.10672	0.3
181.12357	0.8
182.12720	0.2
193.00743	0.2
195.08873	0.2
195.13924	0.3
199.13432	0.7
201.11281	1.2
207.10330	1.0
208.10582	0.4
209.11804	1.8
211.13435	1.0
212.13820	0.6
225.11317	1.6
226.11681	0.7
227.12863	1.2
228.13336	0.6
229.09995	0.2
235.08287	0.3
243.12320	0.3
243.72681	0.2
253.09340	0.8
254.09718	0.2
277.21707	4.3
278.22067	1.9
279.23099	0.3
291.19867	0.5
293.21182	0.9
294.21475	1.1
295.22733	0.6
305.34055	0.2
309.20593	0.2
403.15411	0.2
463.22049	0.2
479.21567	0.2
574.31989	0.2
599.14478	0.2
721.29626	0.2
740.43152	4.3
740.55463	0.3
741.43689	0.9
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
59.01372	0.1
61.98829	100.0
62.98532	0.2
80.33983	0.1
83.05023	0.1
113.96712	0.1
118.89938	0.1
121.64975	0.1
124.68966	0.1
155.88597	0.1
279.20868	0.1
679.50708	0.2
680.50153	0.6
740.49249	1.2
741.50037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84767	0.7
59.01376	1.3
61.98829	0.9
63.40692	0.6
69.03416	0.7
78.95905	20.5
80.75252	0.6
81.03467	0.7
97.02946	0.8
97.06558	0.7
98.13451	0.7
98.19837	1.3
100.21810	0.7
110.98530	17.3
111.08150	4.5
122.97578	1.5
137.09705	0.9
151.11279	0.7
152.99580	1.0
165.13011	1.0
167.01144	5.4
169.12317	2.9
171.10268	1.1
181.12282	0.8
185.02342	0.9
197.11839	25.4
198.12228	1.1
199.13490	0.7
211.13359	3.4
216.62715	0.7
227.12747	1.6
263.20148	0.9
277.21677	6.1
278.22119	1.1
279.23276	100.0
280.23611	12.0
281.24866	6.3
282.24966	0.8
289.17929	2.0
291.19583	10.2
292.19977	1.6
293.20862	0.7
309.20706	32.0
310.21167	3.8
311.22220	1.5
429.23999	0.9
447.25146	5.9
459.21487	1.3
477.22522	3.5
739.45544	37.8
740.44904	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	739.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94537	1.0
59.01363	1.5
61.98829	14.2
69.80105	0.9
70.06138	3.3
78.95905	29.7
80.75724	1.1
110.98524	18.5
113.09714	4.0
167.01193	6.6
171.10316	1.5
179.14383	1.9
195.13890	26.3
196.14320	2.2
223.13409	7.5
255.23270	1.5
275.20126	4.0
277.21713	15.4
278.22089	1.9
281.24854	1.7
293.21219	98.2
294.21542	10.6
295.22769	100.0
296.23123	9.1
298.86490	1.3
329.88168	1.1
394.20233	1.1
434.23526	1.1
445.23801	1.7
461.23386	5.4
462.23553	1.3
463.24597	5.1
739.45575	67.6
740.45703	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03447	2.1
59.01379	9.0
61.98827	9.2
65.17555	1.0
67.36612	1.0
69.88520	0.9
69.90176	2.2
69.90566	2.2
71.01392	6.7
71.05014	3.5
73.02931	2.8
78.90837	1.0
78.95914	5.5
85.02926	1.9
87.00868	1.7
88.56229	1.3
89.02444	3.4
90.11617	1.1
95.05001	1.4
97.02934	3.1
97.06580	2.4
99.00877	12.2
99.23927	0.9
101.02441	6.2
109.06605	2.5
111.00932	1.2
113.02425	4.2
125.09721	6.8
137.09564	1.1
142.02666	1.4
144.35197	1.0
145.05006	1.1
145.10207	1.2
152.99556	2.0
161.09689	1.6
163.11253	9.3
171.10257	10.0
179.10870	1.0
181.12341	10.6
182.12733	1.5
195.13844	1.7
197.11801	3.1
199.13385	15.6
201.11314	3.5
207.10240	29.3
208.10547	2.2
209.11768	2.8
211.13441	4.4
223.13367	2.3
225.11316	47.6
225.13551	2.3
226.11581	2.9
227.12856	3.1
235.08263	2.7
243.12410	6.3
253.09201	7.1
275.20166	1.3
277.21707	80.4
278.22028	8.8
291.19745	2.4
293.21213	9.0
295.22867	3.5
296.23053	1.8
309.20587	1.8
335.93304	1.0
443.18976	2.8
445.19766	1.2
461.20087	5.7
479.21298	1.4
544.66266	1.2
721.41382	5.6
739.42725	100.0
740.43073	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.28928	0.8
57.01842	1.0
57.03440	1.0
59.01380	7.5
61.98828	39.5
62.26311	0.9
71.01379	7.3
71.05000	1.9
73.02933	1.2
78.95873	2.0
85.02927	2.2
89.02422	4.3
95.05032	1.1
97.02937	5.5
97.06535	1.3
98.20276	7.4
99.00880	10.4
101.02425	3.3
107.08514	1.0
109.06568	1.8
110.03726	1.1
113.02426	2.2
125.09740	5.4
127.11322	2.0
142.02689	1.6
160.34227	0.9
162.44440	0.9
163.11308	7.5
171.10246	8.4
179.10670	0.9
181.12306	15.1
197.11804	2.5
199.13394	26.8
201.11256	4.4
207.10251	35.0
208.10529	1.8
209.11815	4.4
211.13336	4.2
225.11307	63.5
226.11601	3.9
227.12842	3.5
235.08221	2.5
243.12379	13.9
244.12497	1.0
253.09402	5.4
269.91138	1.0
275.20135	2.1
277.21713	44.2
278.22116	6.2
291.19534	1.3
293.21164	5.1
407.19165	1.1
443.18451	1.1
461.20306	11.2
463.22195	1.1
479.21286	3.5
489.87411	1.0
610.79626	1.0
644.85675	1.0
721.41425	4.0
739.42670	100.0
740.43103	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27362	0.3
59.01374	3.9
61.98846	0.3
70.92331	0.9
71.01371	3.4
73.02944	0.8
80.02679	0.6
80.49797	0.4
81.03464	1.1
83.01373	0.5
83.03548	0.3
83.05015	3.9
84.02186	0.5
85.02959	0.8
87.00872	0.7
88.91876	0.3
89.02454	2.1
95.05026	0.5
101.02446	2.5
101.70937	0.3
111.08169	0.6
113.02454	1.5
113.09755	0.4
119.03493	0.9
125.06121	0.3
135.08176	0.5
141.79572	0.3
161.04550	1.2
163.11269	3.2
164.11537	0.4
165.12839	2.1
171.10251	0.8
177.12790	0.4
179.05608	0.4
179.14258	0.4
181.12317	0.8
183.13817	0.5
185.11797	0.9
191.10815	0.7
195.13898	4.9
196.14445	0.7
197.11833	0.9
199.13368	1.6
209.11813	100.0
210.12155	5.4
211.13377	9.0
223.13380	3.7
227.12868	12.6
228.13332	1.0
235.08228	2.6
249.99402	0.4
253.09268	16.5
254.09692	0.6
256.13190	1.0
258.95071	0.4
275.20154	6.0
291.19580	1.4
293.21210	66.3
294.21533	6.9
309.20743	3.3
310.20932	0.5
386.23413	0.4
412.43961	0.4
445.20883	0.9
485.32626	0.4
529.29877	0.5
739.42456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01382	7.6
71.01384	4.6
73.02949	1.6
79.11471	0.8
83.01367	1.0
83.04998	0.7
85.02962	1.7
85.34622	0.8
87.00882	1.5
89.02432	3.3
101.02447	4.7
105.74702	0.7
111.08163	1.4
113.02428	2.6
119.03511	1.5
135.98697	0.8
137.47220	0.8
161.04596	2.0
165.12819	10.0
179.14430	1.2
181.12340	1.0
183.13898	83.6
184.14206	4.4
193.61771	0.9
195.13887	9.2
196.14354	1.2
199.13434	1.1
200.26231	0.8
209.11836	6.3
211.13499	4.2
223.13342	5.8
227.12880	4.8
228.13696	1.0
235.08136	3.4
253.09283	10.5
275.20230	4.6
293.21228	54.7
294.21674	5.5
299.99805	0.8
309.20712	1.3
445.20645	2.0
463.21710	2.7
591.65009	1.0
725.79590	1.0
739.42694	100.0
740.43024	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87343	1.1
59.01378	8.5
61.98830	100.0
62.91749	1.0
69.03456	2.8
71.01388	5.9
71.05008	1.7
72.73340	0.9
73.02949	1.6
78.95886	4.7
85.02949	1.0
87.00852	1.5
89.02436	2.4
101.02435	3.6
102.96848	1.2
105.61079	1.0
109.06538	0.9
113.02426	2.1
116.53154	1.1
119.03522	1.1
123.08174	1.3
125.09710	2.6
151.11310	1.4
152.99556	2.8
161.09731	3.1
171.10231	1.7
179.10735	6.2
197.11819	40.3
198.12192	2.2
201.11333	1.4
201.65620	1.2
207.10164	1.5
209.11803	3.2
211.13347	4.4
225.11365	2.9
234.60373	1.2
235.08011	1.2
241.10759	1.4
253.09227	3.8
277.21570	5.7
279.23270	67.7
280.23712	6.8
291.19519	1.4
291.63672	1.1
293.21231	2.8
309.20535	1.4
416.80829	1.1
461.12357	1.1
477.20044	1.2
551.97333	1.4
739.42645	91.5
740.42938	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	739.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87343	1.1
59.01378	8.5
61.98830	100.0
62.91749	1.0
69.03456	2.8
71.01388	5.9
71.05008	1.7
72.73340	0.9
73.02949	1.6
78.95886	4.7
85.02949	1.0
87.00852	1.5
89.02436	2.4
101.02435	3.6
102.96848	1.2
105.61079	1.0
109.06538	0.9
113.02426	2.1
116.53154	1.1
119.03522	1.1
123.08174	1.3
125.09710	2.6
151.11310	1.4
152.99556	2.8
161.09731	3.1
171.10231	1.7
179.10735	6.2
197.11819	40.3
198.12192	2.2
201.11333	1.4
201.65620	1.2
207.10164	1.5
209.11803	3.2
211.13347	4.4
225.11365	2.9
234.60373	1.2
235.08011	1.2
241.10759	1.4
253.09227	3.8
277.21570	5.7
279.23270	67.7
280.23712	6.8
291.19519	1.4
291.63672	1.1
293.21231	2.8
309.20535	1.4
416.80829	1.1
461.12357	1.1
477.20044	1.2
551.97333	1.4
739.42645	91.5
740.42938	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	739.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
59.01386	6.0
61.98830	100.0
62.98502	1.1
69.42503	6.3
71.01389	8.4
73.02923	1.0
75.00868	1.3
78.95906	13.5
83.05038	1.0
85.02947	3.2
85.57722	0.9
89.02427	3.4
96.96945	1.2
97.02947	1.7
98.19949	1.8
99.00846	0.9
101.02438	4.2
102.79309	0.8
102.88249	0.8
113.02430	2.7
125.09636	1.5
139.11250	2.5
143.03479	1.1
152.99602	7.6
153.12874	2.0
155.14337	1.0
155.41280	0.8
161.04518	1.0
163.11250	1.0
170.53491	0.8
171.10220	2.0
181.12338	2.9
183.95219	1.2
185.11772	4.3
190.09183	0.8
197.11823	2.4
199.13400	97.9
199.87218	0.8
200.13766	5.0
207.10258	1.0
208.10733	1.1
209.11868	4.6
211.13406	3.7
213.11328	1.0
215.12860	1.4
223.09618	1.4
225.11369	5.4
227.12773	3.0
243.12364	1.8
251.74574	1.0
253.09276	7.4
277.21713	34.4
277.24753	1.7
278.21988	3.7
279.23126	4.9
291.19620	2.2
293.21271	9.6
294.21411	1.3
309.20609	2.4
429.20511	2.1
445.19858	3.2
461.19971	1.6
463.21045	1.5
479.21283	2.7
650.48151	0.8
721.42004	1.3
739.42596	88.3
740.42969	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35840	0.7
57.03451	1.2
58.00614	0.7
59.01379	9.6
61.98830	21.7
63.99249	0.8
69.03471	1.1
71.01379	8.4
71.01719	0.7
71.51115	0.9
73.02953	1.6
78.95929	2.0
79.95760	0.9
81.03484	2.0
83.05014	4.4
85.02982	1.5
87.00899	2.0
89.02451	5.3
95.01411	1.1
95.05076	2.4
96.96015	13.8
96.96960	1.5
97.02975	2.1
97.06606	2.4
101.02443	6.0
109.06582	3.1
111.04532	1.4
111.08155	1.9
113.02474	2.5
119.03571	1.4
125.02461	1.3
125.06120	0.6
135.08202	1.0
135.11929	0.6
143.03549	0.9
147.11670	0.7
151.04005	1.2
151.11284	6.7
161.04584	2.1
163.11237	4.3
165.12830	2.4
167.10680	0.9
169.12344	34.4
170.12653	2.3
171.10266	2.0
181.12361	1.5
183.13914	2.2
185.11792	1.0
191.10783	0.7
195.10309	1.7
195.13905	3.3
197.11810	5.1
198.12212	0.8
207.10385	1.2
209.11824	100.0
210.12173	13.1
211.13448	25.1
212.13797	1.8
213.11337	5.0
223.13380	2.4
225.11244	1.7
226.11554	1.2
227.12918	9.3
228.13307	1.3
235.08182	4.4
253.09271	16.6
254.09634	1.1
275.20184	3.2
279.23306	0.9
289.18103	12.8
290.18539	1.4
291.19656	6.1
292.19962	2.4
293.21225	39.7
294.21512	5.5
295.21985	1.1
307.19046	0.9
309.20694	10.2
310.21161	2.7
311.21408	1.8
431.19043	1.8
445.20328	2.1
447.21823	1.2
449.20499	4.1
457.10980	0.8
485.31860	0.8
503.34021	1.3
661.38812	0.8
721.38214	2.8
739.39154	32.3
740.39807	9.7
757.28711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50774	0.6
74.83611	0.3
75.79488	0.3
85.02943	8.6
87.24062	0.3
87.24580	0.4
89.02454	0.4
89.03983	1.1
104.83938	0.3
111.00861	1.8
111.30164	0.4
117.03468	6.0
125.02412	1.5
129.01941	1.5
134.03737	57.7
135.04057	2.3
137.02451	1.4
147.02979	0.8
149.02448	0.4
149.06061	5.4
151.00356	0.7
161.04587	0.6
173.41173	0.4
177.01895	0.8
178.02690	2.5
193.05042	100.0
194.05371	5.6
213.86664	0.4
289.07120	0.7
323.07938	2.0
329.08731	0.8
330.09003	0.8
564.16742	0.4
739.19580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
60.99304	2.1
61.98830	100.0
62.98540	1.0
63.99254	1.7
69.44253	0.6
71.01366	2.1
71.51778	0.8
71.68661	0.6
76.53261	0.7
83.01420	0.8
88.98808	8.9
89.02484	1.5
96.96027	1.7
101.02443	1.0
110.14505	0.7
125.02477	1.8
150.03255	1.0
151.00362	0.8
151.03979	0.9
163.11301	0.8
171.10310	2.2
196.85756	0.7
201.11377	0.9
207.10173	1.3
209.11856	4.8
210.12288	1.0
211.13513	1.0
223.13460	2.4
225.11377	3.4
227.12766	1.3
256.56726	0.7
263.12872	0.8
311.79724	0.7
326.33902	0.7
388.20554	0.7
392.88394	0.7
461.20264	1.2
519.22638	1.3
653.32086	2.3
654.89453	0.8
671.33087	1.3
722.36316	0.8
739.32892	7.0
740.33942	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	739.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11345	2.1
55.01874	3.3
57.03444	16.5
59.01374	2.3
70.51386	2.1
71.01378	10.5
71.51577	3.7
72.99304	2.4
73.02929	3.2
75.00873	3.3
81.10534	2.0
83.01388	12.1
84.02173	3.0
85.02948	100.0
94.83227	2.0
96.95963	2.2
101.02443	3.5
108.45089	2.0
111.00877	37.9
113.02507	2.0
119.05013	9.9
125.02444	6.6
129.01941	44.6
137.02382	2.1
143.03493	2.0
147.03021	2.1
161.02393	2.8
161.04559	5.8
163.04051	11.1
187.02449	3.3
187.04079	2.2
205.03528	44.1
215.12712	2.0
223.04584	90.0
224.04935	2.9
289.07013	3.6
294.02237	1.9
330.94144	2.2
369.08228	34.6
407.07565	2.6
445.13510	7.6
705.70197	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	739.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03449	7.8
57.53227	1.1
59.01376	3.2
59.48145	1.4
61.98827	1.5
67.01883	1.5
70.42641	4.0
70.43047	2.1
71.01373	5.7
80.60401	1.1
83.01391	5.8
83.81471	1.2
84.34836	1.2
85.02952	41.4
85.03467	2.0
101.02431	4.6
111.00887	22.0
119.05016	1.6
119.23489	1.3
125.02428	6.0
129.01942	16.7
137.02422	5.9
147.02963	3.1
150.30597	1.3
151.03946	2.1
161.02521	1.7
161.04529	1.6
163.04042	2.2
187.02457	2.1
205.03525	29.5
206.03923	1.8
221.42863	1.3
223.04576	100.0
224.04987	3.4
289.07141	4.0
321.77100	1.4
369.08282	15.7
407.77658	1.3
564.77814	1.5
577.12708	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	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43473	0.1
57.03470	0.2
59.01379	1.7
61.98828	100.0
62.98538	0.5
63.99254	1.1
66.35678	0.1
69.03423	0.2
71.01382	0.9
78.95918	0.2
83.05032	0.4
85.02964	0.4
87.00904	0.4
89.02459	0.6
96.95969	0.2
97.02990	0.4
98.39520	0.1
101.02435	1.0
106.74196	0.2
109.06573	0.9
113.02467	0.4
115.25389	0.2
119.03455	0.2
125.02448	0.3
159.23003	0.1
161.04634	0.3
163.11302	0.5
165.12878	0.2
167.10817	0.2
169.12363	0.5
171.10275	0.4
181.12383	0.5
183.13931	0.4
185.11784	0.8
195.13953	0.7
197.11911	0.7
199.13367	2.4
207.10252	1.6
208.10529	0.8
209.11818	4.0
210.12242	0.4
211.13385	5.0
212.13814	0.8
223.13475	0.5
225.11322	2.3
226.11720	1.0
227.12892	6.0
227.15154	0.4
229.36877	0.3
235.08257	0.8
253.09320	2.5
254.09734	0.3
275.20203	1.0
289.18051	1.0
290.18283	0.8
291.19620	1.4
292.20099	0.5
293.21240	7.9
294.21570	1.5
295.22672	0.2
309.20670	1.2
338.64368	0.2
443.18903	0.2
444.19815	0.2
445.20627	0.3
461.20462	0.5
462.20816	0.3
463.21921	0.5
471.20862	0.2
673.65668	0.2
720.40894	0.2
738.40979	1.2
739.41724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01373	5.9
61.98828	38.3
69.03452	2.1
71.01375	4.9
71.38847	0.9
72.67168	0.5
73.02942	0.9
83.01381	0.6
83.05022	0.9
85.02948	1.2
86.20538	0.5
87.00875	0.6
89.02464	2.8
95.01453	0.8
96.77242	0.5
97.02988	0.8
97.06578	0.5
101.02441	4.3
109.06581	1.8
113.02454	2.4
113.09717	1.9
115.81470	0.5
119.03516	1.0
125.09779	0.6
135.37123	0.6
136.32664	0.5
142.35957	0.5
145.05022	0.6
161.04543	2.3
161.13326	0.7
163.11212	0.7
167.10757	2.8
169.12326	2.8
171.10233	0.8
177.12901	1.2
179.05533	0.7
179.10789	1.9
179.14410	3.5
181.12285	0.7
195.13896	20.3
196.14191	1.2
197.11798	13.1
198.12189	0.6
205.08698	0.6
205.12303	6.4
207.10283	3.9
209.11839	0.5
211.13354	1.2
223.09767	2.5
223.13380	81.9
224.13768	4.8
225.11391	1.5
235.08209	3.3
253.09280	18.1
254.09459	0.9
277.21698	22.2
278.22128	2.5
291.19601	0.9
293.21228	5.9
295.22766	100.0
296.23117	9.6
459.22461	8.6
460.22592	1.2
501.35928	1.4
502.36496	0.7
531.31555	1.4
624.31525	0.6
719.40070	0.9
737.41095	16.2
738.41321	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	737.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.8
80.05042	0.2
80.92763	0.2
81.03455	4.4
83.05023	13.3
84.05326	0.3
100.07673	0.3
102.80083	0.2
108.04517	0.3
125.07192	1.0
126.05592	0.3
141.94809	0.2
143.08215	0.6
167.82611	0.2
207.14990	0.9
224.17696	2.4
224.34402	0.2
225.16081	10.4
226.16354	0.8
242.18745	0.5
309.21649	0.6
324.26520	0.5
333.22888	0.9
334.21204	0.2
341.29254	0.7
367.26959	1.2
407.33521	0.3
433.31705	0.9
450.34503	0.9
451.32874	6.4
452.33215	0.8
550.43628	0.5
559.39484	0.4
565.44550	0.3
574.10132	0.2
593.43793	0.6
659.48682	1.6
660.48724	0.6
677.49664	100.0
678.50006	23.9
678.62622	0.3
703.16602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62653	0.8
59.01377	1.9
61.98832	8.1
71.49642	1.0
78.95908	14.2
110.98530	10.6
121.80160	0.8
167.01083	4.3
179.14301	1.3
195.13890	10.0
196.14203	0.9
223.13406	6.7
224.13715	1.1
227.12877	1.1
231.21030	1.2
255.23239	2.8
256.13156	1.4
275.20142	4.6
289.51535	0.9
293.21225	100.0
294.21634	9.5
352.30048	0.9
358.11932	0.8
376.35339	0.9
376.95456	0.9
443.22070	2.0
461.23105	6.8
479.58536	0.9
606.85596	0.9
619.01569	1.0
620.83771	0.9
737.43945	36.3
738.44141	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	737.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01373	5.9
61.98828	38.3
69.03452	2.1
71.01375	4.9
71.38847	0.9
72.67168	0.5
73.02942	0.9
83.01381	0.6
83.05022	0.9
85.02948	1.2
86.20538	0.5
87.00875	0.6
89.02464	2.8
95.01453	0.8
96.77242	0.5
97.02988	0.8
97.06578	0.5
101.02441	4.3
109.06581	1.8
113.02454	2.4
113.09717	1.9
115.81470	0.5
119.03516	1.0
125.09779	0.6
135.37123	0.6
136.32664	0.5
142.35957	0.5
145.05022	0.6
161.04543	2.3
161.13326	0.7
163.11212	0.7
167.10757	2.8
169.12326	2.8
171.10233	0.8
177.12901	1.2
179.05533	0.7
179.10789	1.9
179.14410	3.5
181.12285	0.7
195.13896	20.3
196.14191	1.2
197.11798	13.1
198.12189	0.6
205.08698	0.6
205.12303	6.4
207.10283	3.9
209.11839	0.5
211.13354	1.2
223.09767	2.5
223.13380	81.9
224.13768	4.8
225.11391	1.5
235.08209	3.3
253.09280	18.1
254.09459	0.9
277.21698	22.2
278.22128	2.5
291.19601	0.9
293.21228	5.9
295.22766	100.0
296.23117	9.6
459.22461	8.6
460.22592	1.2
501.35928	1.4
502.36496	0.7
531.31555	1.4
624.31525	0.6
719.40070	0.9
737.41095	16.2
738.41321	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	737.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.87152	0.5
57.03448	1.0
59.01384	5.9
61.98828	55.5
69.03453	5.4
71.01380	6.5
71.05009	1.1
73.02933	1.1
78.95925	0.7
81.03472	0.5
82.91160	0.5
83.04998	0.5
85.02943	1.1
87.00865	1.5
89.02441	2.5
95.01340	0.5
95.13176	0.5
97.02937	1.4
97.06572	1.1
101.02440	5.9
105.51678	0.5
109.06555	1.1
110.88810	0.5
111.04559	0.7
113.02447	1.6
119.03469	1.3
123.08109	1.3
125.09707	1.8
151.11304	3.0
152.99573	0.5
153.12907	0.8
161.04530	1.5
161.09715	3.9
163.11252	1.1
169.12314	4.1
179.10776	7.8
181.12381	0.5
185.15140	0.5
197.11819	46.2
198.12206	3.3
207.10213	4.6
211.13309	0.8
223.09779	2.4
225.11320	2.1
235.08380	0.9
241.10799	1.4
252.89478	0.5
253.09207	4.1
277.21716	56.4
278.22061	6.5
289.18173	0.6
293.21265	5.7
294.21561	0.7
309.20850	0.6
459.18732	1.3
477.19379	1.3
603.49255	0.5
624.43323	0.6
719.40015	0.7
737.41132	100.0
738.41553	25.6
748.48914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47646	0.6
55.01878	0.6
57.03442	0.6
58.00590	0.7
59.01380	7.4
61.98832	1.9
66.01492	0.5
69.03444	1.4
71.01382	7.7
71.05025	1.5
72.11348	0.6
73.02948	1.5
81.03442	1.2
83.01378	1.0
83.05029	1.3
85.02946	1.4
87.00890	1.1
89.02458	2.4
91.04040	0.8
94.77911	0.5
95.05028	0.7
97.02941	8.1
97.06599	1.6
98.19744	0.9
99.00872	13.8
101.02431	4.3
109.06601	4.0
110.03746	2.2
111.08138	1.7
113.00127	0.5
113.02477	2.9
119.03478	1.2
121.06543	0.6
123.04559	1.0
123.08141	0.7
125.02418	1.6
125.09718	4.2
125.44928	0.5
135.08165	1.6
136.05325	1.3
140.16095	0.5
142.02678	1.4
153.12746	0.6
161.04527	1.4
163.11278	10.7
164.11661	0.6
171.10294	1.2
177.12933	0.6
179.10724	1.3
179.14427	1.1
181.12337	17.6
182.12682	1.0
183.13869	0.7
195.13882	6.6
196.14459	0.7
197.11855	1.3
199.13373	3.2
207.10251	56.8
208.10573	4.2
209.11806	18.5
210.12231	0.8
211.13377	2.4
223.13423	3.4
225.11310	100.0
226.11685	6.2
227.12878	2.8
235.08186	4.0
243.12364	16.6
244.12700	0.8
253.09297	9.8
256.12991	1.2
263.20142	0.6
273.78967	0.6
275.20169	4.5
276.20490	0.7
289.18097	0.8
291.19632	19.9
292.19937	2.5
293.21219	64.1
294.21533	5.3
299.15045	0.8
309.20593	0.8
317.16037	1.8
443.19397	2.7
457.40588	0.5
461.20251	40.8
462.20587	5.2
479.21466	1.9
501.32181	1.3
527.28790	0.7
529.30005	0.7
637.64819	0.5
719.40009	0.9
737.41125	36.9
738.41418	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	737.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03448	1.0
59.01377	7.0
61.98830	48.7
62.98525	0.6
63.59834	0.5
63.99255	0.5
69.03462	4.6
71.01382	6.6
71.05022	2.1
71.49944	0.8
73.02960	1.4
81.03476	0.6
83.01393	0.8
83.05045	1.3
85.02960	1.9
87.00896	0.9
89.02445	3.0
90.29070	0.5
95.01398	0.6
97.06612	1.1
99.00887	0.6
101.02448	5.1
104.07724	0.5
104.54562	0.5
109.06600	1.7
111.04510	0.9
113.01716	0.5
113.02419	2.6
119.03476	1.1
123.08174	1.2
123.47662	0.4
125.09733	1.9
127.07655	0.5
135.78900	0.4
146.46043	0.4
151.11314	2.7
151.93193	0.5
152.99516	0.7
153.12904	1.9
161.04576	1.0
161.09723	3.6
163.04700	0.4
163.11276	0.7
169.12347	2.8
171.10275	0.8
173.24074	0.5
179.10783	7.5
195.13902	1.4
197.11830	92.6
198.12157	5.6
205.08702	1.1
207.10233	4.0
209.11795	1.0
211.03870	0.5
211.13466	1.1
223.09825	2.8
223.13298	2.7
225.11369	3.0
235.08206	0.9
241.10806	3.7
253.09259	6.4
275.20172	0.7
277.21707	33.7
278.22070	3.9
293.21271	4.9
294.21436	0.6
295.22852	3.2
459.18649	1.7
477.19794	2.3
490.24622	0.5
719.41022	1.8
720.41248	0.6
737.41125	100.0
738.41437	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	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98829	100.0
69.14052	3.8
69.14474	2.6
69.72936	0.6
69.85419	0.5
69.92206	0.6
71.01382	1.8
71.25304	0.6
83.05026	2.5
87.00896	1.0
101.02415	0.9
125.02465	1.3
155.06206	0.7
160.33687	0.6
163.11377	1.6
165.12822	0.9
171.10309	2.5
196.03024	0.6
197.11920	1.0
209.11818	46.3
210.12218	2.7
225.11345	0.9
227.12895	7.1
235.08202	0.9
253.09354	2.9
445.20938	1.1
509.56525	0.6
517.06561	0.7
728.36896	0.8
737.34039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
59.01380	24.1
61.98830	87.0
69.03447	0.6
71.01382	7.5
72.99319	0.7
73.02965	0.8
78.95904	1.7
80.02701	1.5
81.03473	2.9
83.01366	1.2
83.05039	2.9
85.02938	3.1
87.00898	2.1
89.02442	4.7
93.03423	0.9
95.04982	0.9
97.02938	6.7
97.06592	0.6
98.20663	1.2
99.00893	1.6
101.02436	6.1
106.04264	0.6
107.05019	0.8
109.06590	32.3
110.03714	1.1
110.06938	2.3
111.08214	0.8
113.02493	3.2
119.03503	0.9
121.06594	1.5
123.04533	4.5
125.09685	0.8
135.08153	4.2
136.05295	1.0
142.02715	2.3
145.05077	1.1
152.99631	1.2
161.04553	3.1
161.09694	1.9
163.11288	21.0
164.11548	1.2
165.09181	0.8
167.10713	1.0
171.10252	2.5
179.05612	1.0
179.10770	1.0
179.14389	0.8
181.12347	4.4
182.12724	0.6
189.09241	2.5
195.13896	7.6
196.14420	1.0
197.11913	0.8
205.12477	0.8
207.10249	100.0
208.10588	4.7
209.11810	6.2
211.13362	1.3
221.11757	1.8
223.13364	5.4
224.13840	0.8
225.11308	51.0
226.11694	2.8
230.65233	0.7
235.08286	4.8
241.14470	4.2
243.12369	1.1
253.09286	21.0
254.09636	1.4
275.20099	6.4
277.21704	6.5
279.23245	2.0
283.74844	0.7
291.19693	1.8
293.21216	89.3
294.21552	9.6
295.22607	2.4
299.14938	1.7
309.20670	1.4
328.44800	0.6
362.15967	0.7
443.19052	4.9
457.33414	1.2
461.20297	16.6
462.20309	1.5
476.03751	0.6
483.31241	0.7
499.60977	0.8
671.59052	0.8
719.40540	2.3
737.41089	41.0
738.41534	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	737.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39806	0.4
59.01371	3.4
61.98827	100.0
62.98533	0.5
71.01376	2.4
71.05030	0.5
71.52223	0.7
73.02940	0.6
78.95893	0.9
81.03461	0.5
83.05028	1.6
85.02971	0.7
87.00864	0.8
89.02439	0.9
96.96001	0.5
97.02974	0.9
99.00902	1.3
101.02452	2.0
109.06570	0.8
113.02456	0.7
116.92844	0.7
119.05195	0.4
122.49636	0.4
123.04477	0.5
125.02464	1.1
125.09694	0.6
127.11313	0.5
128.53273	0.5
135.08128	0.6
146.04602	0.4
161.04568	0.4
163.11301	2.0
165.12868	1.3
167.57753	0.4
169.12337	19.5
170.12714	0.9
171.10262	8.7
171.11664	0.6
181.12317	2.7
191.10793	0.7
199.13437	2.0
207.10257	5.3
209.11812	49.4
210.12137	3.7
225.11305	7.9
227.12874	7.4
235.08275	1.9
243.12395	2.0
253.09227	4.6
405.21170	2.1
445.20615	2.6
461.20380	1.0
479.21527	1.9
529.75116	0.5
597.33026	0.9
633.30908	2.6
634.32031	0.7
659.33435	1.7
677.34442	1.5
687.32098	3.0
705.33447	1.2
737.35999	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	737.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01376	10.7
61.98829	90.2
69.03445	1.6
71.01379	10.4
72.99307	4.4
73.02942	1.9
75.00877	2.4
80.02699	1.6
81.03436	3.1
83.01400	3.2
83.05006	6.5
85.02959	2.3
87.00877	24.5
88.98788	1.8
89.02429	3.7
93.03349	1.2
95.05011	1.7
96.95975	2.8
97.06572	1.6
101.02433	6.4
109.02944	2.5
113.02431	3.8
121.02915	1.7
123.04478	2.6
125.02448	7.8
125.09734	2.3
127.11261	2.2
130.08241	1.5
135.08144	1.5
137.02431	3.9
141.12749	1.1
149.02408	2.0
151.03746	1.2
161.02324	1.4
161.04604	1.6
162.99359	1.3
163.11270	5.2
165.12880	2.6
167.03484	1.7
169.01387	2.0
169.12309	2.8
171.10265	47.1
175.30806	1.5
179.05516	2.6
179.07021	1.3
179.10902	2.4
185.11855	3.4
191.10947	1.3
197.11827	40.3
201.11293	2.9
207.10295	1.9
209.11824	100.0
210.12228	6.3
213.11287	2.1
215.12860	30.4
225.11276	1.6
227.12854	12.7
235.08112	3.3
253.09280	9.2
254.09967	1.4
289.07172	4.2
290.07605	2.5
407.19171	1.5
478.63739	1.6
572.66913	1.4
687.31854	3.4
705.33331	82.7
706.33673	17.4
737.36200	35.0
738.36841	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33126	0.4
59.01377	1.4
61.98829	100.0
62.98524	0.4
71.01373	3.0
71.32990	0.7
71.33345	0.5
74.49235	0.4
75.00829	0.6
78.95903	6.9
78.98597	1.3
79.95744	6.3
80.96516	14.8
87.00874	0.7
88.98827	0.5
94.98102	2.9
96.96013	87.0
96.96917	7.6
99.00916	0.6
101.02441	0.6
121.02910	0.7
122.97579	0.9
123.04529	0.6
125.02402	2.6
127.67620	0.7
132.00351	0.5
134.97569	0.6
137.02438	0.7
146.04559	0.5
148.99150	1.2
151.04042	0.8
152.28265	0.4
152.98547	1.2
164.98625	2.1
165.12825	0.6
171.10303	0.6
174.21484	0.5
183.13950	2.1
185.11877	0.5
197.11841	1.2
207.10316	0.8
209.11835	4.0
210.12218	0.6
211.13333	0.7
223.13416	1.1
225.00743	4.7
225.11375	0.8
253.09276	1.2
289.07010	0.6
291.19553	1.6
305.17294	0.5
309.20822	0.7
420.04807	0.4
521.96960	0.6
737.30573	15.7
737.41052	0.6
738.30298	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	737.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18544	0.7
52.31929	0.8
59.01373	2.0
59.92295	0.7
61.98832	100.0
62.98508	1.0
63.99243	0.9
70.69006	2.3
71.01376	2.9
78.95889	0.9
80.17606	0.8
89.02444	1.5
96.96011	1.5
101.02429	1.1
111.08141	1.3
119.05030	1.0
123.04556	1.0
125.02462	2.7
137.02454	1.2
144.24040	0.8
150.12500	0.9
151.03979	1.1
163.11327	1.0
165.12933	1.1
169.12244	1.0
171.10278	2.1
197.11826	9.4
207.10231	1.7
209.11816	22.1
210.12206	1.3
211.13354	4.2
223.13441	4.2
225.11293	1.4
227.12892	2.6
235.08215	1.1
253.09386	3.1
287.75012	0.9
289.07056	1.0
289.18082	1.7
291.19669	5.3
293.21088	1.1
309.20679	6.5
381.32315	0.9
433.20184	1.0
459.22369	1.4
462.57126	0.9
497.36447	1.1
527.27264	1.0
737.35449	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	737.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91650	0.4
54.03607	0.4
56.15609	0.4
57.03414	0.5
59.01380	1.4
61.98828	100.0
62.98533	0.6
63.96232	0.9
69.03462	0.8
71.01386	6.2
73.02939	1.1
78.95900	0.6
78.98589	4.4
79.95734	8.2
80.96513	45.9
81.03431	0.6
83.01387	0.7
85.02946	1.7
87.00877	1.6
94.98085	11.6
96.75311	0.4
96.96004	3.0
97.02937	1.1
99.00900	0.7
101.02422	2.6
106.98072	2.4
109.02952	0.6
113.02443	0.5
121.02975	0.8
122.97543	2.0
123.04564	0.7
125.02440	4.1
127.04024	0.7
134.97565	3.5
136.99167	1.0
148.99173	4.7
149.02396	0.5
151.04018	0.8
152.98631	5.0
161.02419	0.5
164.98628	9.1
165.12852	0.9
167.00154	0.6
171.10295	0.8
179.00281	0.5
183.13924	4.1
184.14125	0.5
185.11807	0.8
188.98541	0.4
197.11797	1.4
198.12044	0.5
206.99712	2.1
209.11801	5.7
211.13388	1.4
223.09694	0.5
225.00746	14.8
225.11093	0.4
226.00999	0.5
227.12917	0.9
239.60941	0.4
253.09123	0.8
289.07214	0.9
291.19617	1.4
309.20477	0.6
363.96710	0.5
460.22095	0.5
509.16806	1.5
674.35718	0.5
737.30536	54.2
738.30786	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	737.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.9
59.01368	2.3
60.99757	1.3
65.00325	18.7
69.59496	7.1
77.26771	1.5
78.20572	1.4
83.01392	8.4
98.19922	1.9
107.01392	24.5
109.02955	4.8
121.02988	1.8
123.04527	8.7
124.01703	3.7
125.02447	100.0
125.18292	1.6
126.02733	2.1
131.05020	1.5
133.02953	7.7
134.51112	1.5
135.04536	2.0
137.02478	3.4
139.04054	1.5
147.04462	1.6
149.02467	4.5
150.03236	15.8
151.00365	91.3
151.03993	27.2
152.01137	9.1
153.01955	3.9
159.04538	1.5
161.02451	25.1
162.03015	1.9
163.00360	3.9
163.03946	1.8
164.01138	3.1
165.01898	4.3
173.02400	2.3
173.06258	1.7
174.03198	2.7
175.04015	15.9
176.01154	2.0
177.01930	19.2
178.99846	13.0
181.01491	2.1
189.05492	1.8
189.99123	2.1
190.02635	1.5
192.00714	1.7
193.04985	1.8
199.03969	10.0
201.01941	5.6
203.03513	2.5
213.05524	2.9
214.02678	5.3
215.03444	1.6
217.04996	6.8
219.02928	12.5
225.02002	1.9
227.03558	2.8
241.05051	5.5
242.02150	4.1
243.02980	15.4
244.03644	1.5
245.04436	8.5
250.17091	1.4
254.47620	1.4
257.00955	3.2
257.04514	2.5
259.06107	2.3
261.03992	2.6
268.03995	1.8
269.00916	15.2
269.04129	2.7
270.01563	4.5
271.02530	2.6
275.05664	1.7
285.04034	55.9
286.04379	4.0
287.02148	3.1
287.05573	10.2
295.02533	2.0
297.03909	2.1
297.09586	2.6
298.01053	1.8
302.04269	1.7
303.05106	34.4
304.05469	3.2
313.03485	3.4
323.07730	1.6
324.02823	1.6
325.03760	2.0
335.05630	3.2
335.69986	1.5
337.03494	1.5
341.03012	2.0
377.06796	3.3
393.06317	4.3
395.07657	2.0
403.04413	8.8
421.06000	8.3
429.06406	2.7
439.06866	2.6
447.07114	6.6
449.10846	39.2
450.11368	5.6
459.32791	1.8
465.08221	25.8
466.08701	3.2
499.12607	2.1
541.13348	4.7
567.11401	35.1
568.11768	7.2
573.09882	3.1
585.12421	35.5
586.12799	6.2
591.11310	4.5
592.11511	1.5
611.14008	19.0
612.14166	3.4
737.17188	18.3
738.17932	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	737.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86547	0.9
57.03445	13.0
58.15671	1.0
59.01364	1.5
60.51475	1.0
65.00324	18.6
71.09989	1.3
71.10325	2.0
83.01385	10.6
84.94212	1.1
85.02959	1.2
87.48154	1.0
89.03953	1.2
93.03410	1.3
95.01408	2.6
107.01392	24.1
109.02953	5.6
110.00115	2.6
111.00860	1.4
121.02997	3.5
122.03783	1.3
123.00913	1.9
123.04503	11.2
124.01658	2.6
125.02444	100.0
126.02798	2.7
131.05045	1.5
133.02927	8.9
134.03690	1.0
135.00899	1.5
135.04536	4.2
137.02425	7.0
139.03984	1.1
139.53969	1.0
145.02966	1.6
146.03763	2.7
147.04628	1.7
149.02396	6.4
150.03232	14.9
151.00363	89.9
151.04005	22.2
152.01120	8.9
152.04329	2.2
153.01907	6.0
157.02858	1.6
159.04494	2.5
160.01659	1.3
161.02438	21.1
163.00310	5.8
163.04057	2.5
164.01080	2.6
165.01888	5.0
167.05016	1.0
169.01360	1.5
171.04565	2.0
173.02470	1.6
173.06039	1.8
174.03238	2.6
175.04004	16.9
176.01173	2.5
177.01912	21.0
177.05582	1.5
178.99844	16.5
179.03467	1.3
187.04004	1.7
189.05586	2.6
190.99942	1.6
191.03506	2.5
192.00661	2.8
194.33441	1.1
197.06023	1.1
199.03967	9.8
200.04633	1.4
201.01939	7.1
201.05728	1.3
202.02612	1.5
203.03529	2.9
213.05591	3.4
214.02719	6.3
214.30322	1.0
215.03354	2.3
216.04092	1.5
217.05042	10.7
219.03001	12.9
225.01790	1.8
227.03517	1.9
229.05086	2.4
241.05121	6.1
242.02232	6.1
243.02966	17.6
244.03647	2.2
245.00902	1.4
245.04506	7.7
255.02992	2.3
257.00891	2.8
257.04526	3.1
258.01590	1.9
259.06122	3.2
261.03976	3.6
267.02994	1.6
269.00894	18.6
269.04477	3.2
270.01657	2.5
271.02405	1.7
275.05609	2.1
284.03058	1.9
285.04025	56.8
286.04388	4.6
287.02103	2.5
287.05563	11.2
288.06183	1.2
289.07123	1.8
295.02582	1.9
295.05701	1.2
297.03967	3.3
297.09613	2.9
298.01108	2.0
303.05066	36.9
304.05295	1.7
313.03537	4.5
314.04474	1.7
323.07703	2.2
325.03540	2.2
335.05630	3.3
341.03156	1.7
353.06693	1.8
377.06604	2.5
393.06161	4.1
395.07773	2.7
403.04471	9.3
421.05496	9.1
422.06049	1.9
429.06125	1.3
439.06512	1.9
447.07245	7.5
448.07584	1.2
449.10870	39.1
450.11148	3.5
465.08151	20.7
466.08813	2.0
529.11432	1.3
541.13605	6.2
567.11432	31.9
568.12140	5.8
573.10455	3.0
585.12402	34.5
586.13031	5.6
591.11414	11.0
611.13928	17.4
612.14258	3.6
719.16614	1.3
737.17322	17.6
738.17444	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	736.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.98829	100.0
65.73013	0.5
71.01376	1.1
78.95919	0.8
80.96479	0.4
80.98203	0.4
93.86353	0.4
122.63436	0.4
152.99568	0.6
153.63245	0.5
171.10283	0.6
197.12036	0.4
207.10310	1.7
221.11880	1.4
223.09802	0.7
223.13484	0.6
225.11270	0.8
255.23259	0.9
277.21774	1.1
293.21228	3.1
294.21555	0.6
311.22128	0.6
436.57104	0.4
484.87677	0.4
736.44263	0.7
737.41107	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	737.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.3
57.28713	1.3
59.01363	5.0
61.83794	1.5
61.98805	1.7
64.57804	1.4
65.00320	17.5
70.99403	2.5
71.91221	1.3
74.21417	2.0
74.26767	1.6
83.01363	8.8
89.15797	1.5
93.03465	2.2
95.01373	2.6
107.01391	25.8
108.02195	2.0
108.87095	1.5
109.02955	6.2
121.02997	4.9
123.00891	1.7
123.04528	12.1
124.01665	2.9
125.02442	100.0
126.02761	3.9
133.02950	6.7
135.04546	5.1
136.84270	1.4
137.02435	6.3
146.03741	2.6
147.04523	3.5
148.01514	1.4
149.02458	6.6
150.03233	15.6
151.00363	92.3
151.04005	24.7
152.01196	8.4
153.01907	4.9
155.08470	1.5
157.74673	1.6
159.04520	2.3
161.02431	21.1
162.03047	2.2
163.00334	5.3
163.03976	4.7
164.01129	3.8
165.01939	10.1
165.05534	1.5
169.01465	2.3
174.03268	2.7
175.03961	19.4
176.01195	2.5
177.01907	21.5
178.99846	14.9
189.05548	4.7
191.03468	3.0
192.00514	3.5
193.04935	2.3
199.03993	8.0
201.01924	6.7
201.05550	2.7
203.03490	2.7
213.05617	2.8
214.02701	2.2
215.03477	4.5
217.05005	7.1
219.02994	12.6
219.96925	2.0
225.01906	1.7
227.03592	2.7
229.04977	4.0
231.02931	2.9
241.05017	5.7
242.02191	4.1
243.02972	15.6
244.03673	2.2
245.04533	9.2
255.03053	2.3
257.00940	2.0
257.04361	1.8
258.01648	2.3
259.06015	2.1
261.04004	3.1
269.00879	14.7
269.03696	2.0
270.01361	1.7
275.05630	2.9
285.04025	54.6
286.04428	4.5
287.02240	3.0
287.05612	11.5
289.07141	2.2
295.02567	2.8
297.04086	3.0
297.09637	2.2
298.01340	3.1
303.05069	32.0
304.05411	4.4
313.03531	4.0
329.08804	8.3
335.05423	2.5
341.02881	2.1
370.05341	1.5
377.06598	2.6
393.06107	3.6
395.07687	2.0
400.09067	1.5
403.04425	8.1
407.07660	4.0
421.05557	10.2
435.07425	1.7
439.06723	3.7
447.07129	7.8
449.10861	39.0
450.11316	5.0
453.08002	2.4
465.08289	22.8
466.08768	3.7
499.12671	1.7
541.13989	7.0
547.12274	2.0
567.11517	35.5
568.11749	6.5
573.10260	7.3
574.10559	1.6
585.12354	26.4
586.12732	7.8
591.11200	16.8
592.11658	3.1
611.13965	15.9
612.14429	3.1
737.16791	20.3
738.18103	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	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82779	0.1
59.01370	0.2
61.98830	100.0
62.98512	0.1
71.01400	0.3
73.02945	0.1
87.75042	0.1
90.86246	0.1
94.47195	0.1
99.64923	0.1
106.31323	0.1
109.02979	0.1
123.04470	0.1
125.02457	0.2
163.11230	0.1
171.10341	0.3
181.12430	0.1
207.10225	0.3
209.11835	0.8
209.13441	0.1
225.11353	0.3
227.12950	0.2
243.12212	0.2
253.09457	0.1
261.43848	0.1
285.44675	0.1
289.07208	0.2
292.36246	0.1
479.21310	0.1
687.32129	0.2
737.34460	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
59.59906	0.2
60.01699	0.2
61.98829	100.0
62.98535	0.3
70.98802	0.4
71.01389	0.6
71.34601	0.2
73.34483	0.2
78.70460	0.2
78.89606	0.2
78.95918	0.2
83.05075	0.2
87.04451	0.2
88.37138	0.2
89.02453	0.3
101.02457	0.4
102.44410	0.2
109.06605	0.6
113.02487	0.3
122.20317	0.2
131.14316	0.2
135.08200	0.3
145.49507	0.2
160.54701	0.2
161.04652	0.2
163.11282	0.5
171.10281	0.7
174.13446	0.2
181.12341	0.3
197.11919	0.5
207.10289	1.5
209.11815	3.2
211.13412	2.0
223.09793	0.2
223.13564	0.2
225.11255	1.7
225.63048	0.2
227.12901	0.3
235.08330	0.4
249.99445	0.2
253.09242	1.1
289.18149	0.5
291.19589	1.6
291.53290	0.2
293.21210	1.8
294.21564	0.3
307.18808	0.3
309.20792	0.9
369.45468	0.2
426.00433	0.2
434.68851	0.2
461.20212	0.4
719.39703	0.3
736.39142	0.3
737.40814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98828	100.0
62.98537	0.3
71.01361	0.2
93.89618	0.2
110.83647	0.2
111.04566	0.2
120.19151	0.2
183.07933	0.2
192.62634	0.2
207.10315	0.6
209.11903	0.4
211.13388	0.9
225.11308	1.0
232.63602	0.2
245.63933	0.2
253.09233	0.3
289.18195	0.6
291.19815	0.6
291.96436	0.1
293.21179	0.8
363.66937	0.2
382.75150	0.2
461.20428	0.3
594.03345	0.2
737.41412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.11617	0.1
61.98829	100.0
62.98526	0.2
88.49905	0.1
98.20638	0.5
101.02454	0.3
109.06606	0.3
163.11301	0.2
171.10263	0.3
178.81651	0.1
195.61690	0.2
207.10292	0.5
209.11800	0.9
211.13402	0.9
212.13841	0.2
225.11388	0.6
235.08131	0.2
239.03314	0.2
253.09373	0.6
253.85498	0.2
289.18143	0.2
291.19696	0.7
293.21188	1.2
550.27954	0.2
550.38373	0.2
719.40295	0.2
726.28363	0.2
734.95538	0.2
737.41309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.98829	100.0
62.98517	0.3
71.01370	0.7
78.23274	0.2
78.95883	0.2
83.05031	0.3
87.00919	0.2
89.02444	0.4
96.95985	0.2
97.02995	0.4
97.06602	0.1
101.02453	0.5
103.37500	0.2
106.92316	0.1
109.06583	0.8
110.03694	0.2
111.04533	0.5
113.02473	0.2
118.38014	0.1
123.04507	0.2
135.08174	0.2
153.26324	0.1
161.09740	0.2
163.11325	0.6
171.10284	0.4
179.10829	0.5
185.11839	0.3
195.13908	0.3
197.11784	0.4
199.13409	0.3
204.67216	0.2
205.08760	0.3
207.10280	2.6
209.11821	4.1
210.12164	0.2
211.13332	1.2
212.13672	0.2
223.09732	0.9
223.13382	0.4
224.10179	0.5
225.11345	2.7
227.12903	0.4
235.08231	0.7
253.09251	1.5
275.20068	0.3
289.18079	0.5
291.19662	1.7
293.21231	4.1
294.21719	0.7
307.18964	0.2
309.20648	0.8
441.18207	0.2
443.19614	0.2
459.19025	0.2
460.19382	0.2
461.20358	0.7
479.02353	0.2
570.15936	0.2
719.40454	0.4
736.39630	1.0
737.41003	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	736.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98829	100.0
71.01389	0.4
72.71326	0.2
78.91864	0.2
78.95949	0.2
80.91723	0.3
88.98855	0.2
89.02468	0.2
96.96014	0.4
99.00890	0.3
101.02499	0.2
111.15247	0.2
125.02467	0.6
125.09731	0.2
141.42995	0.2
163.04039	0.2
164.01241	0.3
171.10266	0.7
181.12321	0.3
187.90331	0.2
197.11813	0.4
199.13377	0.3
207.10297	0.6
209.11916	0.8
211.13139	0.2
225.11357	0.8
341.44189	0.2
393.22781	0.3
633.31396	0.3
687.32477	0.4
695.80048	0.2
715.11371	0.2
729.78223	0.2
737.38165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98829	100.0
70.98441	0.2
71.01382	0.9
71.19123	0.2
72.81799	0.2
81.49029	0.2
85.02959	0.2
89.02413	1.0
91.78829	0.2
101.02467	0.7
109.06616	0.2
111.04486	0.3
113.02403	0.2
114.87881	0.2
119.03501	0.3
163.11382	0.2
195.13936	0.3
199.13475	0.3
207.10207	0.9
209.11827	0.8
211.13432	0.9
225.11305	1.2
227.12897	0.3
235.08290	0.4
253.09305	0.6
277.21716	1.0
278.22012	1.1
289.18188	0.6
291.19659	0.6
293.21207	2.1
333.66718	0.2
397.13437	1.4
398.13806	1.2
415.14667	0.6
416.14697	0.3
531.72815	0.2
579.65045	0.2
627.10565	0.2
655.01251	0.2
737.41705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17645	0.6
57.03445	3.9
59.01374	0.8
63.59375	0.7
71.51353	0.9
74.67609	0.6
81.03446	2.5
83.01375	3.5
93.03455	2.1
95.01362	1.0
95.05026	3.5
97.02946	6.3
99.04533	0.7
101.59577	0.6
108.02171	1.5
109.02949	27.6
109.03696	1.6
110.03255	0.9
111.04465	0.6
121.02949	2.9
122.03703	1.1
123.04515	19.7
125.02437	18.9
126.02680	0.9
127.38804	0.7
135.04494	2.4
137.02438	12.0
138.03171	1.1
138.05620	2.6
139.04021	4.5
145.02962	0.9
146.03589	1.0
147.04550	0.7
149.02429	4.5
150.03207	1.4
151.00371	1.1
151.03999	9.8
159.04503	3.3
159.08086	0.7
160.05310	1.3
161.02458	1.1
161.06032	5.0
162.03137	1.6
163.04033	1.8
164.01117	3.2
165.01959	4.5
165.03203	0.9
166.02649	0.7
167.03499	2.9
173.06018	1.3
175.03957	3.4
175.07608	2.2
179.03461	6.2
185.06007	1.0
187.03995	5.3
188.04810	4.0
199.07559	0.9
201.05536	1.0
202.06291	2.6
203.07135	13.8
204.07507	0.8
205.05037	9.5
221.08229	4.1
227.07159	2.1
230.05803	0.8
245.08171	19.8
246.08453	1.6
247.06052	1.1
289.07166	100.0
290.07538	9.9
446.16693	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	736.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53445	0.3
57.03453	0.6
58.02199	0.3
59.01378	1.2
61.98830	100.0
71.01389	0.8
71.51354	0.4
71.92669	0.3
83.01395	1.5
89.02454	0.7
93.03486	0.5
94.55804	0.3
101.02444	0.4
106.10996	0.3
107.05037	1.1
108.02161	0.3
109.02946	1.7
111.00903	0.7
113.02434	0.4
123.00917	0.6
123.04548	0.4
124.00882	0.4
124.01618	1.9
125.02445	5.6
127.00394	0.4
133.03032	0.7
136.98773	0.4
137.02443	7.7
138.03209	1.0
139.00438	1.6
147.51471	0.3
148.19626	0.3
149.02470	1.1
150.03226	0.4
151.04008	6.9
151.05122	0.6
152.04340	0.4
153.05598	0.9
161.02547	0.7
165.01991	0.5
175.00313	0.6
176.01006	0.4
177.01921	7.1
177.03343	0.5
178.02454	0.5
180.04210	0.4
190.02777	0.9
191.03481	0.8
195.03008	0.8
215.03604	0.8
223.06157	0.9
229.05061	0.4
240.04202	0.3
257.04657	0.5
272.06848	0.6
283.02432	0.4
284.03329	0.8
285.04147	1.1
286.01361	0.6
288.06448	0.5
298.05151	0.6
299.07999	0.7
301.03601	1.1
303.08725	3.8
304.09308	0.4
316.06070	1.0
316.54837	0.3
331.08218	28.4
332.08548	2.8
355.08139	0.4
373.11438	3.6
385.11536	1.3
437.08682	0.4
437.56537	0.4
465.92798	0.4
493.13474	8.5
493.19968	0.5
494.13919	1.1
511.14551	11.9
512.14996	2.0
535.14618	1.4
536.15186	0.4
641.69098	0.4
673.19745	7.0
674.20508	1.4
709.99066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.7
59.01377	11.5
61.98830	84.2
71.01383	60.6
72.01711	0.9
73.02937	2.2
81.03459	1.2
83.05021	2.8
85.02938	2.3
87.00888	1.5
89.02468	2.7
95.01372	0.9
97.02934	1.9
99.00893	1.7
101.02475	4.5
108.15076	0.7
109.06596	4.3
110.03716	1.1
111.04536	1.4
113.02462	2.6
113.87043	0.8
119.03511	1.3
125.09726	1.6
127.11295	0.8
142.02664	1.1
161.04599	1.5
163.11305	2.4
171.10269	36.1
172.10645	2.5
177.12836	2.9
181.08722	1.2
181.12358	1.2
182.66611	0.8
195.13902	4.9
199.09715	6.8
199.13353	1.0
201.11266	5.1
205.08728	1.2
207.10272	8.4
221.11815	31.2
222.12079	2.2
223.09663	1.1
223.13319	1.1
225.11313	5.5
226.11729	0.8
235.08298	6.7
239.12871	10.4
253.09259	10.9
255.23291	100.0
256.23642	10.5
277.21710	28.6
278.22076	3.5
284.77094	0.8
293.21210	2.4
350.02283	0.9
435.19122	0.9
457.21179	0.9
461.20383	1.0
475.21835	3.0
571.72290	0.9
699.43329	3.3
700.44025	1.3
704.31946	0.9
735.44519	17.2
736.45135	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	735.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.9
61.98830	18.1
62.47466	1.2
65.69197	1.5
70.29423	1.0
71.01380	53.0
71.33548	2.3
73.02931	1.8
78.95911	2.5
87.00892	1.6
88.36131	1.1
89.02438	2.7
89.21399	1.2
95.93173	1.1
97.02905	1.6
101.02433	3.0
103.38943	1.4
109.06593	2.3
119.03468	1.2
129.72887	1.1
135.08232	1.1
161.04582	1.6
162.52354	1.2
163.11235	2.4
171.10265	29.0
172.10568	1.4
199.08263	1.1
199.09729	7.3
201.11331	6.2
201.30008	1.1
207.10223	9.9
214.26202	1.2
225.11276	5.7
235.08138	6.1
253.09300	8.4
255.23282	100.0
256.23557	11.3
293.21146	1.5
461.20035	2.0
591.98981	1.3
601.54187	1.2
604.81226	1.3
699.43274	2.3
735.45886	8.4
736.45422	2.5
766.49487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.6
61.98829	51.9
71.01390	9.5
71.49627	2.1
73.02956	1.2
78.73444	1.2
81.03409	1.3
83.01418	1.5
85.02943	1.9
87.00841	2.2
89.02441	2.7
97.02975	2.2
99.00877	5.4
101.02444	6.4
109.06560	1.9
111.04514	2.6
111.08152	1.2
113.02467	2.0
125.09712	4.1
127.11264	3.3
136.11676	1.2
145.05075	2.3
161.04544	1.5
161.09669	1.8
163.11281	3.7
171.10262	2.9
181.12340	5.9
195.13947	1.9
197.11806	2.8
199.09735	1.5
199.13416	6.7
201.11314	38.5
202.11690	1.8
205.08644	2.6
207.10239	8.5
209.11858	1.4
221.11830	6.5
223.09747	6.8
223.13272	2.8
225.11293	18.9
235.08195	5.8
239.12805	2.9
243.12297	3.5
253.09294	8.9
255.23280	100.0
256.23727	11.7
277.21707	5.2
291.19699	4.9
293.21207	8.3
309.20734	7.2
461.20218	2.3
467.43124	1.6
699.43384	5.0
717.44379	8.9
735.45465	94.4
736.45740	21.8
767.69476	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	735.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01377	6.9
60.89652	0.4
62.30068	0.4
69.03447	1.4
71.01373	3.6
71.05017	0.5
72.69373	0.4
73.02927	0.7
85.02931	0.7
85.06615	0.5
87.00871	0.9
89.02436	3.8
92.87637	0.4
93.03445	0.5
95.01409	0.4
95.05032	0.6
98.20665	1.0
99.96523	0.4
101.02456	3.5
102.34122	0.4
109.06580	1.0
111.08119	0.4
113.02416	2.0
119.03500	0.5
125.09718	0.4
125.34036	0.4
135.11836	0.7
145.05043	0.5
147.33897	0.4
161.04561	1.5
167.10800	2.9
177.12808	0.9
179.05620	0.7
179.10786	1.1
179.14458	2.7
195.13898	16.2
196.14407	1.6
205.12315	9.5
206.12819	0.5
223.13385	100.0
224.13705	8.1
225.15021	0.8
235.08209	3.4
253.09296	15.2
254.09689	0.9
256.13205	0.9
275.20120	4.7
276.20297	0.5
293.21225	79.3
294.18268	0.5
294.21564	9.6
355.71713	0.5
373.57452	0.5
389.15842	0.4
436.43451	0.6
441.21237	0.5
459.22305	10.3
460.22723	1.4
492.21472	0.5
499.33826	0.8
529.30176	1.2
530.30023	0.5
569.78833	0.4
735.43390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4289
Annotation	Nonactin
Peak:m/z	Relative Intensity
53.65345	1.0
59.01379	13.9
61.98829	45.5
65.34678	1.0
71.01380	29.1
73.02975	1.5
78.95905	1.6
80.53738	1.0
83.01344	1.2
83.05025	2.3
83.93911	1.1
85.02951	2.5
87.00887	1.8
89.02431	3.9
90.34542	1.0
97.06562	1.0
98.20692	1.6
99.00887	1.6
101.02426	5.0
109.06602	1.4
111.04530	1.4
113.02447	4.2
116.28804	1.1
159.11838	1.6
161.04517	1.5
167.82469	1.0
171.10268	14.0
177.12851	12.0
179.05598	1.2
179.10635	1.1
195.13892	100.0
196.14264	6.6
201.11314	1.3
207.10266	3.5
221.11864	7.2
223.09723	1.9
223.13286	1.9
225.11356	2.7
235.08243	4.5
239.12897	11.1
253.09239	8.2
255.23293	32.6
256.23575	3.9
277.21707	37.3
278.22076	2.9
291.19568	1.6
293.21185	4.2
379.13986	1.2
385.06152	1.2
428.60916	1.0
457.20938	2.3
475.21924	9.3
735.43250	94.4
736.43518	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57537	0.4
57.03430	0.5
59.01383	6.3
61.98831	0.6
63.65091	0.4
66.56271	0.4
69.03460	2.0
70.24156	1.8
71.01372	4.6
71.05022	0.6
73.02933	0.8
75.26413	0.4
83.01395	0.5
83.05028	0.8
85.02944	1.1
85.06574	0.6
87.00875	0.5
89.02444	2.8
95.01404	0.5
95.82574	0.4
101.02445	3.2
109.06618	0.4
111.08122	0.5
113.02443	1.5
119.03497	0.7
125.09674	0.5
134.47217	0.5
141.09239	0.4
141.21800	0.4
149.09721	0.7
156.84514	0.4
161.04559	1.5
167.10748	3.5
171.10263	0.9
177.12845	1.0
179.10754	1.2
179.14397	3.5
188.41457	0.4
195.13892	15.1
196.14290	1.3
205.12306	8.6
206.12704	0.6
223.13383	100.0
224.13708	7.0
225.14922	0.6
235.08203	3.4
253.09259	13.9
254.09572	0.7
256.12958	1.0
275.20117	6.1
276.20242	0.6
293.21219	72.2
294.21539	8.4
459.22302	10.6
460.22302	2.3
499.34692	0.6
529.30176	1.5
735.43530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85133	11.4
56.30393	13.1
61.98814	38.3
71.49818	22.9
78.95912	66.1
95.47255	10.3
103.06754	10.8
103.81463	10.9
105.12299	10.5
107.98770	11.8
151.45181	11.7
152.99547	33.6
171.10210	13.8
173.11055	12.9
179.89247	24.9
196.89494	90.2
207.10257	14.8
225.11308	36.9
255.23354	100.0
256.23553	22.8
293.21182	15.8
350.32068	14.6
393.18491	12.9
402.13132	14.2
499.19382	27.6
507.82239	19.7
576.87109	15.9
689.54218	14.8
699.43903	15.6
735.40216	79.6
736.41418	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	735.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.1
61.98830	53.1
64.55743	3.7
71.01370	11.7
71.50453	5.8
73.51604	3.7
89.02428	7.8
97.02986	4.2
99.12692	4.1
101.02428	7.3
109.06578	6.5
113.02461	4.8
125.09734	15.1
131.16934	4.8
141.41884	3.9
157.05325	3.9
163.11134	4.6
169.48653	3.9
171.08823	5.9
171.10266	100.0
172.10626	8.8
179.10820	7.2
181.12372	5.0
187.09697	21.5
195.13840	12.5
199.69534	4.7
207.10260	13.2
209.11789	48.7
210.11995	5.0
223.09821	9.6
223.13358	52.6
225.11389	21.2
235.08298	11.1
239.12828	8.3
253.09302	33.4
275.20233	5.0
289.18018	40.0
290.18362	5.3
291.19641	96.1
292.19879	11.2
293.21155	46.2
294.21487	7.2
407.19424	5.5
423.18640	8.8
481.29150	4.2
527.28735	6.0
699.39203	6.3
735.39392	19.9
736.39905	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	735.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
56.04187	1.5
57.03440	1.8
58.00583	2.1
59.01103	2.8
59.01375	33.9
61.98827	43.7
69.03468	3.0
71.01384	31.8
72.99291	2.8
73.02935	4.8
81.03483	1.7
83.01368	3.6
83.05067	1.8
84.49648	1.6
85.02953	6.7
85.07490	1.6
87.00871	6.3
89.02443	26.2
94.35248	1.7
95.01371	2.5
95.04999	1.6
97.02952	6.9
99.00856	3.1
101.02444	27.7
107.25216	1.7
109.02939	2.0
110.03646	1.7
111.04516	4.0
113.02454	12.6
119.03472	5.8
125.02455	9.6
143.03487	5.0
161.04518	5.3
163.11359	1.5
165.12811	2.4
171.10240	2.5
177.09241	1.9
179.05609	4.7
179.10710	2.3
195.13921	3.3
205.08606	2.4
207.10211	5.6
209.11781	7.5
211.13400	12.4
212.13858	2.0
213.14951	9.6
216.69922	1.8
223.09712	6.5
223.13290	11.0
225.11195	6.9
235.08209	11.3
236.08586	2.6
253.09364	8.4
255.23232	1.8
275.20096	3.0
277.21707	74.1
278.22070	8.0
287.07663	3.4
289.18057	3.6
291.19611	10.7
293.21219	17.3
305.08755	3.9
386.91220	1.9
397.13483	100.0
398.13730	9.0
415.14471	32.5
416.14667	3.1
675.36884	2.6
717.38257	2.7
735.39551	10.9
736.40002	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	735.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.0
59.59732	0.4
61.98798	0.6
67.52979	0.5
69.03455	1.0
72.99313	8.6
73.02919	0.9
81.03443	0.8
83.01392	0.8
85.02949	19.1
94.12550	0.5
97.02964	1.2
98.19907	1.8
101.02435	2.2
103.04027	0.9
104.49557	0.6
108.63146	0.5
109.02953	3.7
111.00882	1.5
112.66673	0.5
119.05024	25.8
120.05381	1.7
123.00851	0.5
123.04517	1.7
125.02443	27.9
126.02793	1.4
129.01936	9.7
131.74333	0.4
137.02441	2.7
139.00421	0.6
145.02946	0.9
147.02992	100.0
148.03339	2.7
149.02434	1.2
151.03955	2.3
161.02307	0.5
163.04001	35.3
164.01201	0.6
164.04370	1.7
165.01956	0.7
166.99637	0.5
167.32809	0.5
169.01419	44.9
170.01765	1.2
171.30470	0.5
173.31114	0.6
175.04074	0.6
177.01907	1.0
179.03506	1.4
185.06097	0.5
187.04037	0.7
188.04636	0.6
193.01436	1.7
203.07141	2.0
205.01419	0.7
205.05029	1.5
245.08173	3.3
253.05037	0.5
259.05887	0.7
271.05991	2.6
272.06903	0.6
289.03952	1.1
289.07169	17.3
290.07501	1.8
293.06674	4.2
296.06589	0.5
303.05133	1.4
331.04703	1.1
407.09012	0.6
426.95490	0.5
441.08224	21.5
442.08716	3.1
735.23401	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	734.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98830	100.0
68.71668	0.1
69.16107	1.3
69.16520	0.2
69.57934	0.1
70.13506	0.1
106.45430	0.1
116.92876	0.3
127.18366	0.1
127.75426	0.1
171.10260	0.2
185.11931	0.3
187.09866	0.2
196.45869	0.1
197.11864	0.4
202.24681	0.1
209.11853	1.8
210.12085	0.7
227.12918	0.3
259.02783	0.2
317.64023	0.1
435.08313	0.1
734.40106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98830	100.0
63.99275	0.2
70.89456	0.4
71.01378	0.3
75.00873	0.2
88.98819	0.5
96.64765	0.2
109.59116	0.2
116.92877	0.6
125.02407	0.3
171.10410	0.2
181.17253	0.2
185.11746	0.3
187.09720	0.2
197.11798	0.4
199.13451	0.6
209.11829	2.1
210.12178	0.7
211.13374	0.4
225.11343	0.2
227.12953	0.6
252.42557	0.2
253.09099	0.2
271.65314	0.2
405.91592	0.2
420.52072	0.2
557.61945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83892	0.4
61.98830	100.0
78.95919	1.8
80.96538	0.5
115.92086	0.5
166.63266	0.4
179.89201	0.4
196.89525	0.7
210.35562	0.4
210.60431	0.4
255.37608	0.4
543.44336	0.4
548.93719	0.4
580.86658	0.4
677.89410	0.5
735.40149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
61.98829	19.1
69.03448	2.5
71.35607	1.3
78.95902	32.4
83.05019	1.3
84.02172	1.0
85.02956	8.2
88.36483	1.0
93.42102	0.8
94.98076	0.9
96.96958	0.9
97.02960	1.1
97.06583	3.0
110.98525	19.2
122.97537	0.9
125.09750	1.5
127.11262	2.5
137.09727	2.4
152.99611	5.1
154.98389	0.8
167.01115	7.6
171.10265	36.7
172.10599	0.9
177.12767	0.9
183.13893	3.9
185.11766	1.7
193.12294	1.3
201.11333	2.2
209.11848	2.2
211.13391	18.9
221.11769	3.1
229.14424	12.4
239.12865	1.6
253.21768	2.1
255.23282	85.2
256.23615	8.8
291.19739	2.6
327.21744	52.8
328.22113	5.1
329.23267	2.0
407.40820	0.8
423.25372	4.4
477.22339	2.0
497.25204	6.4
512.38892	0.9
541.09204	1.0
595.47803	0.9
733.46588	100.0
734.47009	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	733.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	21.0
60.61804	1.4
61.98829	40.1
69.37669	4.3
69.38078	7.8
71.01378	3.1
87.00850	2.8
87.26051	1.6
151.11241	1.6
154.96529	1.5
169.12332	48.3
170.12587	2.2
171.10257	14.4
235.08159	3.6
237.14871	1.5
253.09299	3.6
255.23264	100.0
256.23608	7.8
269.24561	1.9
277.21780	1.9
297.60730	1.4
316.16071	1.7
341.09903	2.0
349.79520	1.6
405.21228	2.3
408.37491	1.7
444.66492	1.6
491.32083	7.1
687.42938	11.4
688.43823	2.0
705.44409	9.4
706.43945	2.0
733.43066	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	733.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
58.41918	0.6
60.65242	0.7
61.98816	3.1
69.03458	1.5
71.01405	0.7
74.34252	0.7
78.95905	28.5
80.96557	0.6
84.02190	0.8
85.02950	8.1
97.02958	1.5
97.06572	3.6
97.63787	0.6
99.08147	1.1
110.98535	20.8
122.37331	0.6
125.09712	2.1
127.11295	2.4
137.09703	2.4
139.11272	1.3
152.99590	1.5
155.10663	0.7
156.27058	0.6
157.82512	0.8
163.11237	0.7
165.12828	1.1
167.01149	9.2
167.14465	0.7
171.10268	35.1
172.10646	1.7
181.12379	0.6
183.13878	3.9
185.02150	0.8
185.11832	1.0
193.12314	1.3
209.11847	2.5
211.13397	19.4
212.13716	0.9
221.11804	2.2
229.14465	13.2
230.14787	1.2
239.12900	1.2
247.20625	0.9
253.21748	6.4
255.23289	85.0
256.23608	5.6
256.34128	0.7
291.19647	2.4
309.20886	1.0
327.21750	50.1
328.21967	3.2
328.88968	0.7
329.23322	6.6
423.25449	4.7
477.22812	1.2
497.25180	19.3
498.25455	1.7
733.46649	100.0
734.46985	22.3
734.57208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
59.44448	1.7
61.98816	5.5
68.26528	1.8
69.03454	2.0
78.95906	30.2
85.02944	8.4
99.92564	2.0
110.98532	22.6
127.11285	2.1
137.09694	3.8
142.81837	1.8
145.37039	1.8
167.01114	8.6
171.10255	36.0
183.13863	3.7
209.11775	2.3
211.13370	21.5
221.11908	3.1
229.14415	14.3
229.57501	2.3
253.21587	6.0
255.23267	88.2
256.23590	7.6
318.86905	2.0
327.21716	53.1
328.22046	6.1
329.23053	8.8
375.73724	2.1
423.25281	5.5
433.47971	2.0
497.25119	13.9
624.23077	2.1
733.46564	100.0
734.47015	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	733.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.1
61.98832	34.6
62.35445	0.8
62.77490	0.8
63.86663	0.8
63.99246	3.9
71.01370	3.6
71.50069	1.2
72.99294	3.3
73.02937	1.2
75.00852	1.1
78.95880	0.8
85.02987	1.1
87.00876	6.8
87.65797	0.9
89.02445	2.6
92.34628	0.9
97.02927	0.9
99.00914	1.0
101.02427	3.7
113.02471	1.2
122.04312	0.8
126.37354	0.9
141.12866	1.0
143.36720	0.9
161.04437	1.0
163.47589	0.9
169.12389	1.3
171.10268	9.2
172.10690	0.8
197.11856	9.7
209.11810	1.0
213.11372	1.3
215.12878	47.7
216.13211	2.4
219.37424	0.8
235.08224	11.2
253.09258	6.9
255.23283	100.0
256.23602	11.6
433.20786	1.3
491.32239	3.1
636.41779	0.9
715.42865	3.9
733.43884	30.7
734.44312	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	733.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
60.52746	0.3
61.98544	0.4
61.98830	5.3
69.55754	2.5
71.01379	5.0
73.02923	0.5
83.12386	0.4
87.00848	0.5
88.25319	0.4
89.02423	1.1
95.41323	0.3
101.02428	1.5
109.06561	0.5
113.02438	1.2
138.10489	0.5
141.25284	0.4
161.04570	0.8
161.09602	0.4
163.11316	0.5
167.14372	0.4
171.10280	0.9
183.13875	6.5
184.14218	0.4
188.00317	0.4
193.12340	1.8
199.09712	1.0
201.11166	0.4
207.10233	2.9
209.11842	1.3
211.13380	100.0
212.13741	6.8
221.11810	0.5
225.11304	1.5
227.12894	0.7
235.08232	1.6
253.09268	4.5
254.09596	0.5
429.21280	1.2
447.22333	8.9
448.22736	1.1
461.20309	0.7
461.26904	0.5
515.93530	0.4
623.34454	1.6
624.34399	0.4
637.32245	0.5
641.35010	1.1
655.33118	0.7
671.88593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07265	0.3
57.03442	1.5
59.01382	7.0
61.98821	1.4
69.03447	1.9
71.01381	4.0
71.05038	0.4
71.65479	0.4
73.02944	0.8
77.79214	0.3
81.03469	0.3
83.01402	0.3
83.05028	0.6
85.02969	0.9
87.00866	1.0
88.98796	0.6
89.02445	3.2
93.03458	0.7
95.01326	0.3
95.05003	1.1
97.06622	0.7
98.19815	0.5
99.04628	0.3
101.02451	3.7
109.06590	0.8
111.08160	8.5
113.02446	1.9
119.03478	0.7
124.08842	0.4
125.09726	0.5
126.53702	0.3
129.14787	0.4
130.20952	0.3
135.08321	0.4
135.11842	0.5
137.09700	0.7
141.05421	0.3
141.09248	0.6
143.03474	0.5
145.05060	0.7
149.09708	0.9
161.04520	1.1
161.13318	0.5
167.10741	4.2
177.12885	2.6
179.05693	0.7
179.10751	2.2
179.14455	3.1
195.13898	14.6
196.14233	1.4
196.96521	0.3
205.12329	8.6
206.12677	0.4
219.17673	0.4
223.13382	91.1
224.13745	6.0
235.08267	4.5
237.14937	0.9
247.20639	1.9
253.09270	8.7
254.09747	0.5
255.23326	0.9
273.18668	1.4
274.18814	0.4
277.18054	0.6
291.19653	100.0
292.19995	9.8
317.64688	0.4
339.13312	0.4
441.21548	1.2
459.22357	9.9
460.22607	1.4
479.31607	1.3
497.32907	1.3
509.27423	1.5
527.28693	7.6
528.28900	1.1
530.60242	0.4
603.74634	0.4
621.32617	0.5
663.38269	0.4
715.40515	1.1
733.41583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	26.1
61.98826	2.9
64.66187	1.3
65.03954	1.6
71.01379	54.3
71.26994	3.4
73.02931	2.5
81.03463	1.8
87.00874	1.9
89.02441	3.1
92.97647	1.6
97.02959	4.3
99.00888	2.2
100.65370	1.3
101.02428	7.3
109.06604	8.7
111.08186	1.8
113.02444	3.5
125.09755	1.7
129.98773	1.5
135.08092	2.1
145.05023	1.7
161.04521	2.0
161.09682	1.7
163.11246	5.7
171.10239	5.6
183.13863	7.4
189.09137	1.5
193.12291	2.1
196.74733	1.4
199.13414	4.2
201.11435	1.7
207.10240	29.6
208.10500	2.9
209.11816	17.8
211.13380	100.0
212.13757	7.4
221.11801	1.8
223.13402	2.3
225.11327	19.0
227.12886	14.9
235.08153	5.1
253.09322	8.5
293.21680	1.5
333.84628	1.6
373.23718	2.6
391.24707	1.6
401.23294	7.3
419.24106	3.4
443.19235	1.6
447.22141	1.8
461.20236	4.8
463.21771	3.3
637.32233	5.8
655.33411	9.2
656.33710	3.9
678.41394	1.7
686.00000	1.5
733.42548	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	733.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98430	2.5
57.03425	7.1
59.01365	3.3
62.51814	2.5
69.47493	5.8
69.47913	11.5
71.01382	4.4
72.99291	3.0
81.03450	2.8
83.01376	4.1
85.02951	41.9
88.98835	3.6
96.47478	2.6
98.20599	5.2
101.02449	6.0
106.00326	2.6
111.00890	21.8
111.04534	13.0
119.05028	11.4
120.05389	3.1
125.02432	5.4
127.04017	21.0
129.01965	15.3
137.02394	5.4
147.03003	3.3
155.03502	11.4
163.04012	15.3
183.54053	2.4
184.05463	2.4
199.02510	21.9
205.03552	26.7
223.04575	100.0
224.04848	4.2
274.84225	3.4
289.06995	3.3
369.08145	15.0
422.62131	2.8
437.08395	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	732.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01370	0.5
61.98828	100.0
71.01403	0.3
71.05688	0.4
84.98729	0.2
88.98794	0.5
91.43237	0.2
96.96007	0.2
97.06624	0.3
101.02450	0.3
103.78480	0.2
116.92880	0.9
119.05054	0.3
121.02953	0.2
123.04506	0.5
125.02489	0.5
125.09704	1.1
126.10060	0.3
137.02402	0.2
145.02971	0.2
163.04022	0.8
163.11339	0.2
166.02238	0.2
167.03476	1.6
171.10280	0.7
181.12346	0.2
187.09827	0.8
199.13423	0.7
207.10277	0.3
209.11806	2.4
210.12215	0.4
223.77869	0.2
225.09204	0.2
225.11349	1.0
226.11613	0.3
227.12924	0.6
253.09370	0.3
255.71678	0.2
332.10876	0.2
445.20627	0.2
654.33069	0.3
732.38892	1.0
733.39111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
59.50583	0.1
61.98828	100.0
62.98518	0.2
71.01394	0.2
74.38914	0.2
75.00870	0.2
78.95930	0.2
88.28303	0.1
88.98817	0.6
89.02476	0.3
96.96007	0.3
98.19897	0.4
109.06612	0.2
122.72466	0.1
125.02464	0.6
151.04036	0.3
161.02533	0.2
171.10277	0.7
185.11668	0.1
199.13428	0.4
201.11325	0.3
202.11720	0.2
203.11880	0.2
203.49637	0.1
209.11902	0.6
211.13449	0.5
225.11317	0.3
227.12910	0.5
253.09332	0.3
307.94250	0.1
341.23117	0.2
502.03610	0.1
570.44385	0.1
621.26837	0.2
641.22845	0.3
665.98383	0.1
705.11163	0.2
733.39508	0.2
753.96869	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	731.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
58.89351	1.3
59.01359	4.6
61.98839	12.2
68.01254	1.3
68.99811	2.0
70.40706	1.3
71.01368	3.9
78.95875	1.2
79.55544	1.2
85.02949	2.3
87.00877	4.0
89.02433	2.5
97.06596	2.7
98.20625	4.8
101.02422	4.1
113.02404	2.0
115.57150	1.3
119.38443	1.3
125.09734	10.5
137.09767	1.4
153.09163	3.8
155.10805	8.9
159.34224	1.3
162.21346	1.2
165.09134	1.3
171.10229	1.5
178.09528	1.1
179.59679	1.4
183.10188	3.0
185.11830	8.6
187.09689	1.7
195.10297	6.0
213.11284	20.8
221.21614	1.4
229.10925	1.7
235.08200	3.6
253.09270	3.7
253.21680	1.9
255.23288	100.0
256.23688	8.1
261.66165	1.3
269.24619	1.6
651.74591	1.5
687.42993	5.5
694.70587	1.4
731.42188	58.1
732.42413	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	731.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
59.29439	0.7
60.99001	1.4
60.99304	19.7
61.98829	41.8
68.71217	0.7
69.13426	7.6
71.01398	0.8
72.99324	0.8
73.20512	0.8
87.00907	1.3
88.00407	2.8
88.98804	100.0
89.02448	11.1
90.02781	0.7
95.04997	0.8
97.06589	0.7
97.32866	0.7
101.02419	1.1
101.32713	0.8
113.02481	0.9
116.92867	1.1
125.02433	3.8
137.02470	1.1
151.04056	0.7
171.10272	15.2
197.11765	0.8
201.11317	5.4
209.11801	2.0
211.13438	3.6
223.13417	2.7
225.15085	1.0
253.09415	3.7
254.09633	0.8
277.14310	0.8
285.37918	0.9
291.19589	0.8
293.21237	1.1
306.07004	0.8
311.22327	2.9
314.15784	0.7
325.62247	0.8
331.32196	0.7
341.23373	5.5
342.23413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.7
61.98829	100.0
68.99545	2.7
71.01369	4.0
71.52287	1.9
73.02985	1.8
88.98782	3.2
89.02444	2.0
96.96000	4.8
97.02938	3.5
99.00869	2.7
101.02405	3.3
112.98549	1.7
113.02412	2.0
119.05031	4.1
119.96049	1.6
121.02910	1.6
123.08124	1.8
125.02436	3.1
125.09666	1.8
125.95866	1.6
137.02383	2.7
142.02710	1.7
163.03877	4.3
163.11327	3.6
171.10263	6.5
181.12280	5.5
185.11893	2.4
204.86932	1.9
207.10245	13.5
209.09906	2.4
209.11818	39.8
210.12090	3.2
223.33247	1.8
225.11316	22.8
226.11644	1.6
227.12827	8.7
235.08255	2.3
243.12303	3.7
253.09093	2.5
461.20279	8.5
486.30505	1.9
542.90381	1.6
653.31702	4.5
671.32861	4.6
713.33929	1.9
731.36261	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	730.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24123	0.2
59.01385	0.8
59.20106	0.2
60.81239	0.2
60.99308	0.2
61.98829	100.0
71.01389	0.4
87.00996	0.2
88.98815	1.2
89.02471	0.4
96.96104	0.2
102.56943	0.2
109.02980	0.3
112.08633	0.2
116.92887	0.7
121.02956	0.3
125.02492	0.6
127.11305	0.3
133.49004	0.2
137.02466	0.4
171.10300	1.2
197.11974	0.3
201.11316	1.3
209.11797	2.1
210.12202	0.8
223.13393	2.4
224.13654	1.2
227.12955	0.6
228.13200	0.4
241.94424	0.2
253.09396	0.5
272.53857	0.2
311.22263	0.4
341.23239	0.3
460.23035	0.4
652.34723	0.3
731.37036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16391	0.1
56.93401	0.1
58.66342	0.1
61.60207	0.1
61.98827	100.0
62.98537	0.2
64.61633	0.2
69.83629	0.7
76.08955	0.2
78.95917	0.2
122.16669	0.1
170.10042	0.1
171.10255	0.2
287.66953	0.2
300.48590	0.2
415.86102	0.2
650.38434	0.2
665.06982	0.2
730.45172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13791	0.1
59.82658	0.2
61.98829	100.0
77.96851	0.2
101.87682	0.2
125.78954	0.2
140.04309	0.2
143.81390	0.2
186.50475	0.2
229.33649	0.3
232.66652	0.2
649.03497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
90.51188	0.2
93.03458	0.5
98.19876	0.7
102.14972	0.2
105.60937	0.2
117.03495	0.3
119.05025	95.7
120.05361	4.6
123.04539	0.2
125.02458	1.1
126.02779	0.2
137.02405	0.4
161.02467	0.2
161.06166	0.2
161.08199	0.2
163.04004	100.0
164.04338	5.3
289.07077	0.5
290.07422	0.3
325.09259	11.7
326.09555	1.1
328.31308	0.2
407.07669	0.4
408.08243	0.5
409.08188	0.5
452.10535	0.2
470.02698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96884	1.0
57.03442	2.1
58.00595	1.7
59.01379	6.3
61.98832	17.7
63.09184	0.9
70.46074	2.9
71.01379	7.0
83.05035	1.9
85.02933	3.1
87.00880	1.7
88.98798	2.9
89.02432	3.8
97.02944	2.0
101.02448	4.5
111.08148	3.2
113.02473	1.9
116.92776	0.8
119.05051	4.1
123.04522	1.3
123.08121	1.3
125.02431	3.8
125.09699	5.5
127.11311	4.8
137.02463	1.2
137.09698	1.7
145.02928	1.2
149.02342	1.0
150.03203	1.9
151.03987	2.2
155.10794	2.8
159.51971	0.8
161.04567	2.2
163.03973	5.2
163.11258	1.8
165.05542	1.0
165.09204	2.5
165.12802	1.5
169.12334	2.0
171.10265	5.2
179.05582	1.4
179.10818	1.0
179.14502	0.9
181.12308	1.4
183.10234	1.2
183.41867	1.0
185.11819	1.6
195.13890	2.7
197.11821	11.6
199.09734	2.9
199.13373	1.8
201.11316	100.0
202.11620	5.1
205.12296	1.9
209.11823	24.3
210.12093	2.5
211.13440	4.9
212.04831	0.8
216.45578	0.9
223.11366	1.6
223.13385	24.1
223.15605	1.2
224.13766	1.4
227.12857	6.9
235.08185	2.9
247.20580	1.6
253.09277	27.1
254.09532	1.7
270.70871	0.8
273.18509	1.0
283.19049	1.0
289.07275	1.3
291.19632	16.2
292.19843	1.4
293.21136	1.1
295.22760	1.9
309.20709	42.4
310.20819	4.2
310.53055	1.0
437.20276	2.1
459.22250	3.4
475.30798	1.2
493.31543	2.6
504.88260	1.0
545.30023	0.9
651.33630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
60.99306	17.6
61.98828	7.7
70.46224	0.8
70.46616	0.9
71.01405	0.5
75.65260	0.4
87.00886	0.6
88.00410	2.4
88.91422	0.4
88.98804	100.0
89.01927	0.8
89.02441	10.9
89.99170	0.6
104.34618	0.4
114.43287	0.4
117.03474	1.3
119.05036	6.0
120.05407	0.6
121.02967	0.8
122.03740	1.0
123.04532	0.7
125.02442	0.7
145.02922	1.9
149.02432	1.1
150.03210	3.8
151.03954	0.7
162.03210	0.9
163.03998	9.5
163.05247	0.8
165.05553	3.1
171.10286	0.7
185.11815	0.6
195.06647	1.4
201.11310	2.3
209.11877	1.3
211.13408	1.9
227.12898	0.6
235.08246	0.7
253.09248	1.0
265.32022	0.4
339.08743	0.7
369.13495	1.8
717.84436	0.4
729.24902	1.5
729.36023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
59.01382	10.2
60.99302	1.8
61.98827	41.9
71.01374	5.2
71.51263	1.9
72.99313	1.7
75.70301	1.2
78.95920	1.3
85.02953	2.1
87.00835	1.3
88.98817	18.0
89.02448	2.4
89.99140	1.4
93.03465	3.1
96.95991	1.4
97.02962	6.5
99.00883	9.9
101.02419	2.3
117.03459	14.3
119.05020	47.9
120.05370	3.5
121.02952	5.2
122.03743	5.5
123.04513	3.4
125.02434	3.8
125.06122	1.4
125.09710	4.9
133.03021	1.6
137.02443	2.8
141.01959	1.4
142.02722	2.4
145.02957	26.6
149.02440	6.9
150.03221	27.9
151.03955	4.5
162.03291	3.3
163.04004	69.2
163.11304	7.4
164.04443	5.9
165.05591	20.9
171.10246	3.1
180.04166	2.0
181.04987	3.1
181.12323	18.8
182.12646	1.3
195.06630	7.5
197.11880	2.8
199.13339	1.8
201.11278	3.3
207.10243	47.7
208.10570	2.2
209.11801	5.9
211.13406	7.4
225.11313	100.0
226.11598	7.3
235.08211	1.7
243.12395	8.6
244.12610	1.6
253.09264	3.1
257.59732	1.4
323.09283	3.4
339.08685	7.8
354.10995	2.2
369.13486	8.2
413.17963	1.5
443.18835	2.2
461.20245	16.2
547.18488	2.4
609.79370	1.5
669.31189	33.2
669.41638	2.5
670.31598	4.2
671.56525	1.8
681.23431	4.1
690.98059	1.8
729.24249	4.0
729.34528	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	729.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01384	1.9
59.23978	0.7
61.98831	21.0
70.69131	1.4
71.01381	1.7
85.02986	0.7
88.98795	2.6
93.03458	3.1
97.70174	0.7
101.02477	1.3
110.98494	0.6
117.03450	8.4
119.05029	57.1
120.05357	3.1
121.02952	5.1
122.03734	10.5
123.04514	2.5
125.02434	2.1
131.13353	0.7
133.02934	1.3
136.01613	0.7
137.02425	0.9
145.02950	15.8
146.03432	1.0
149.02429	14.0
150.03226	56.3
151.03897	5.8
153.06747	0.7
157.01050	0.7
160.01639	1.2
161.04691	0.9
162.03215	2.6
163.04005	100.0
164.04309	4.8
165.05568	42.3
166.05925	2.0
171.10316	1.0
179.07097	1.3
180.04297	3.0
181.05025	3.4
185.11816	1.0
195.06613	14.1
195.13812	0.8
201.11299	1.8
207.10332	0.7
209.11815	1.4
211.13412	1.3
227.13058	1.0
240.07863	0.9
268.07458	1.5
279.06677	0.7
280.07413	2.0
283.09775	1.1
293.21207	6.7
294.21686	1.4
308.06937	2.3
309.07703	2.1
312.88431	0.7
322.08401	1.6
323.09125	4.6
324.06339	1.6
324.09879	1.7
337.10828	1.0
338.11642	1.6
339.08728	13.9
339.12601	1.3
340.09079	2.5
354.11005	4.7
369.13422	24.6
369.18158	1.3
370.13840	2.2
375.26904	1.0
397.13470	1.9
415.14609	2.7
421.25992	3.1
475.34302	0.8
532.16467	1.0
587.18500	0.8
681.23145	2.0
691.36060	1.0
729.25037	2.8
729.35602	1.8
730.26147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
60.99297	0.8
61.98831	13.5
69.47660	3.9
71.01398	0.9
78.95889	0.8
83.05038	0.7
88.98804	5.4
89.02460	1.0
93.03448	3.0
95.01378	0.7
96.95988	1.0
98.19857	0.5
117.03474	16.2
119.05025	61.4
120.05354	2.9
120.63112	0.5
121.02963	5.8
122.03741	7.6
123.04522	2.6
125.02454	1.0
132.02190	0.5
133.02950	1.5
134.03773	0.7
136.01640	0.7
137.02461	1.1
145.02956	34.5
146.03307	2.1
149.02434	10.0
150.03221	41.4
151.04007	5.1
155.09343	0.7
158.04372	0.5
160.01643	1.0
161.02425	1.0
161.04605	0.6
162.03226	4.7
163.04007	100.0
164.04361	5.6
165.05560	32.0
166.05972	1.3
171.10313	1.3
177.05594	0.7
179.07172	2.1
180.04282	2.4
181.05029	3.0
183.13820	0.6
185.11914	0.9
195.06610	9.9
197.11691	0.6
201.11319	1.3
207.10011	0.6
209.11835	2.8
211.13393	2.5
225.11398	0.8
227.07292	0.7
227.12881	1.3
243.06490	0.7
253.09286	0.6
268.07449	1.6
277.37140	0.6
279.06726	1.1
280.07434	0.9
283.09741	1.9
284.10281	0.6
296.06857	1.2
308.06970	2.0
309.07556	2.0
311.09381	1.0
322.08417	1.6
323.09296	5.0
324.06354	1.5
324.09921	1.6
338.11575	2.4
339.08679	13.0
339.12482	1.3
340.09201	2.0
353.09927	0.7
354.11014	3.9
355.12015	0.9
357.26608	0.6
369.13412	17.0
370.13763	1.1
371.20914	0.9
375.27448	2.7
391.06244	0.7
517.19116	0.9
532.17145	1.3
533.18506	0.6
535.19843	0.9
583.21881	1.2
587.19653	0.9
605.20264	1.2
681.23199	6.2
682.23773	1.8
711.24414	1.4
729.25366	8.0
729.36804	0.6
730.25812	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	729.1462
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03443	14.0
58.51117	0.6
69.03444	1.3
69.69362	2.3
75.46626	0.5
80.20394	0.6
81.03460	2.0
83.01396	3.7
89.04005	1.0
93.03445	2.0
93.44475	0.6
95.01388	1.7
95.04996	1.5
97.02958	3.2
104.67852	0.6
107.01418	0.7
107.04996	0.9
108.02173	0.8
109.02948	14.4
109.03687	0.7
109.55539	0.7
111.00862	0.9
117.03458	1.1
121.02985	3.5
122.03766	0.6
123.00857	1.6
123.04517	9.8
124.01659	1.1
125.02441	100.0
126.02789	3.7
131.05031	1.6
133.02934	4.0
135.04524	2.7
137.02432	19.0
139.04015	1.3
145.02940	3.9
146.03682	1.1
147.04495	1.3
149.02431	4.9
150.03217	1.1
151.03998	10.1
159.04507	6.0
160.05264	0.7
161.02440	23.3
161.06067	4.2
162.02956	1.8
163.00346	1.5
163.03998	3.0
164.01125	4.3
165.01942	3.9
167.03491	1.1
169.01418	25.2
170.01768	0.8
172.87984	0.6
173.06093	0.6
174.03210	0.9
175.04004	10.3
177.01933	8.7
177.05481	1.0
179.03523	3.6
183.04486	1.7
185.06073	2.2
187.04001	6.9
188.04770	2.9
189.01929	1.2
193.01418	2.6
197.06160	1.1
199.03943	2.5
201.01913	1.6
201.05638	2.0
203.03458	1.8
203.07111	8.3
205.01460	1.7
205.05055	5.9
209.06134	1.4
211.04065	1.6
212.04738	0.9
213.05562	1.9
214.02734	0.8
215.03560	1.1
217.05098	3.6
217.58513	0.6
218.82004	0.7
219.02960	1.6
221.08171	1.5
225.05449	1.3
227.03403	3.3
227.07025	3.1
228.04185	1.2
229.04984	2.6
231.02922	0.8
237.05414	0.7
241.05122	1.2
243.02965	6.9
244.03575	0.8
245.04530	7.3
245.08136	11.8
246.04782	0.9
246.08447	1.2
253.05049	3.9
255.02992	9.9
256.03687	5.9
257.04471	2.3
269.04568	4.3
271.06100	12.1
272.06479	1.0
273.03986	1.7
279.06418	0.7
281.04538	3.3
283.02512	3.1
283.05566	0.9
284.03091	0.9
285.04004	4.5
287.05646	7.8
289.07166	52.0
290.07486	4.5
297.03983	2.4
299.05597	2.5
303.05099	2.1
321.07727	0.9
339.08710	2.6
363.08658	1.8
367.12271	0.7
381.09698	2.1
389.06564	5.8
391.08517	0.7
407.07687	80.0
408.08029	10.1
425.08740	5.2
433.09164	4.5
434.09637	1.4
441.08188	10.8
442.08472	2.0
451.10306	17.3
452.10495	2.7
460.17496	0.6
467.09692	0.8
559.10999	4.7
577.13892	9.5
578.13190	1.9
603.02753	0.6
603.11212	3.3
729.14514	3.6
730.14771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86739	0.5
56.39832	0.5
59.01368	4.4
61.98826	16.3
69.62332	0.5
69.71024	1.8
69.71435	1.2
71.01380	3.8
73.02945	1.0
78.95901	3.3
80.91711	0.6
83.01371	1.1
85.02949	1.7
87.00876	1.1
89.02450	2.2
97.06596	1.0
101.02428	2.8
109.23952	0.5
111.08169	1.0
113.02434	1.5
119.03423	0.7
152.99586	2.6
161.04530	1.4
165.12834	7.4
183.13885	53.4
184.14212	3.3
185.13475	0.6
195.13782	0.5
195.83577	0.6
209.11804	3.0
215.80055	0.6
227.12834	3.3
235.08199	1.9
250.81641	0.5
253.09227	5.9
255.23553	1.0
260.47894	0.6
261.97934	0.7
281.24829	100.0
282.25177	10.2
295.22702	2.4
431.22064	1.7
445.20648	1.9
463.21976	2.2
727.46344	70.7
728.46716	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	728.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.08307	0.2
70.00900	0.5
77.81750	0.1
88.66757	0.2
96.03745	0.1
161.52776	0.2
199.85373	0.1
220.98138	0.2
223.13422	0.5
224.13777	0.4
225.14029	0.3
309.20895	0.2
724.17853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.3
61.98007	1.1
61.98840	1.5
71.51501	1.0
74.18357	1.1
81.03465	1.8
83.01396	4.3
90.98573	1.4
93.03432	2.3
95.04979	1.3
97.02959	4.7
107.01364	1.9
107.05048	1.5
109.02962	18.7
117.03480	1.3
119.04984	1.3
121.02956	3.1
123.00848	1.5
123.04530	12.3
125.02448	96.5
126.02784	2.7
133.02957	4.2
135.04530	3.2
137.02434	19.7
138.02832	1.0
139.04053	2.5
145.02968	4.6
146.03693	2.0
147.04507	1.2
149.02451	4.1
150.03275	1.6
151.00354	3.7
151.04022	13.0
155.03491	1.1
159.04524	5.3
161.02437	20.8
161.06087	5.1
162.03000	2.1
163.00424	2.2
163.04001	4.1
164.01161	3.0
165.01935	5.1
167.03502	1.8
169.01411	20.1
170.01852	1.1
174.03131	1.2
175.04021	10.4
175.07562	0.9
176.01103	1.2
176.04337	1.2
177.01929	10.3
179.03491	3.7
183.04497	2.1
185.06052	3.6
187.04048	5.5
188.04744	2.2
193.01390	1.5
199.04050	2.5
201.05611	3.1
202.06340	1.1
203.03482	2.4
203.07111	7.3
205.01389	2.1
205.05006	5.4
209.06099	1.4
211.03989	2.5
212.04672	1.3
213.05617	2.2
216.04172	1.3
217.05063	3.5
219.02925	1.4
221.08148	2.2
227.03496	3.3
227.07150	3.3
228.04242	1.5
229.05031	4.1
237.05649	1.4
241.04910	1.4
243.03000	9.9
244.03275	1.2
245.04608	7.7
245.08188	9.7
246.08682	1.2
253.05101	3.7
255.03014	11.4
256.03607	6.4
257.04562	3.5
269.04489	4.7
271.06070	8.7
273.03973	3.0
278.13925	1.1
279.08969	3.4
281.04529	2.7
283.02570	1.4
284.03473	1.1
285.03955	7.6
287.05588	4.0
289.07178	51.4
290.07535	4.1
297.03989	2.6
299.05545	2.7
303.05045	4.6
321.07642	2.2
339.08762	2.3
363.08862	2.0
381.09830	2.7
385.89114	1.2
389.06607	7.3
407.07703	100.0
408.07953	12.8
425.08701	5.7
433.09167	5.7
434.09134	1.3
441.08234	10.7
442.08566	1.5
449.10992	2.3
451.10349	14.7
452.10425	2.4
559.11157	5.2
577.14172	6.6
578.13892	1.8
603.11487	3.7
729.13257	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	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
59.01366	5.0
60.23140	1.1
61.98838	7.0
63.68206	1.1
71.01373	5.2
71.49593	2.2
73.02938	1.2
74.85260	1.0
78.95901	1.6
85.02964	1.2
87.00845	1.7
89.02445	3.1
95.05042	1.3
97.06580	4.6
101.02437	4.6
109.02931	1.8
110.29115	1.4
113.02456	2.0
123.04510	3.4
125.02451	5.2
125.09762	1.4
131.90695	1.3
149.02425	4.6
151.03990	4.7
151.11275	18.3
152.11714	1.3
161.02414	2.5
169.12338	51.3
170.12627	3.5
171.10231	2.6
184.53931	1.0
189.05521	1.2
195.10275	2.5
195.13870	12.7
197.11708	1.9
199.09657	1.5
213.11266	6.9
220.24597	1.1
235.08330	1.6
253.09209	5.2
255.23236	2.7
264.48898	1.1
277.21707	10.9
281.24911	8.4
289.07104	4.3
290.07626	1.2
293.20917	1.5
295.22769	45.0
296.23022	5.0
309.20721	1.6
341.98236	1.6
406.51788	1.3
426.28226	1.2
431.18964	2.4
449.20132	3.4
727.42603	100.0
728.42963	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	727.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35628	0.4
58.59583	0.4
59.01378	19.2
61.98831	0.7
65.75406	0.5
68.46040	0.4
71.01395	2.5
71.37443	0.4
73.02956	0.6
78.95899	2.4
83.01400	0.5
85.02977	1.0
87.00901	0.8
89.02470	1.3
98.19785	1.2
101.02468	1.8
110.98466	0.5
112.97318	0.4
113.02467	1.4
125.09692	0.5
127.11325	1.3
139.45422	0.5
152.99585	2.3
161.04538	1.0
171.10265	83.5
172.10588	3.9
195.14000	0.6
197.11806	0.6
197.27058	0.5
203.65579	0.4
209.11819	4.0
210.12204	0.8
227.13116	0.6
229.19585	0.5
229.21535	0.5
233.22876	0.5
235.08195	4.1
253.09245	6.4
255.23264	4.8
256.23618	0.6
275.19846	0.6
277.21701	100.0
278.22076	10.6
279.23203	1.0
280.23602	1.3
281.24838	7.0
282.25339	0.9
295.22800	2.0
394.67181	0.6
407.18958	0.9
513.30640	0.9
637.37292	0.7
709.38788	2.9
710.39508	0.8
727.41418	0.6
736.66315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26687	0.7
57.03437	1.1
59.01379	36.9
61.98816	3.3
70.07493	0.7
70.74455	0.7
71.01370	3.4
71.49928	0.9
72.69242	0.7
76.97499	0.7
78.95905	1.6
79.63358	0.6
88.07758	0.8
88.42653	0.7
89.02441	3.0
95.01397	0.9
97.06577	1.3
101.02453	4.1
104.10454	0.9
108.40275	0.7
113.02413	2.2
119.03446	0.9
125.09701	1.5
127.11288	2.0
131.68401	0.9
133.98343	0.8
151.11246	4.5
161.04535	1.5
167.10704	0.8
169.12338	31.4
170.12651	2.0
171.10263	84.3
172.10596	4.3
197.11815	0.9
199.09723	1.5
211.13379	1.2
213.11249	2.3
231.12363	3.6
235.08171	1.5
253.09280	5.6
277.21713	31.1
278.22043	2.7
281.24890	4.1
295.22711	2.4
301.01657	0.8
309.20590	1.0
407.19180	1.3
449.20239	1.7
467.21191	3.5
534.88617	0.9
709.41443	5.3
727.42664	100.0
728.43042	27.3
759.77197	0.8
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
55.44188	1.0
59.01377	36.6
61.98810	4.0
70.09560	2.4
70.09951	1.6
71.01395	4.6
73.02930	1.1
84.95126	1.0
85.02927	1.1
87.00874	0.9
89.02441	2.2
97.06564	1.6
101.02419	3.1
113.02433	2.1
151.11278	4.3
169.10863	1.6
169.12331	33.6
171.10268	53.0
172.10600	2.1
199.09740	1.5
209.11909	1.0
213.11284	2.3
231.12294	1.7
235.08151	2.2
237.14093	1.0
253.09360	4.8
265.21637	1.2
277.21710	59.3
278.22089	6.2
309.20566	1.5
467.21353	2.9
472.59955	0.9
515.15607	1.1
556.18945	3.5
642.22119	2.0
643.23151	1.5
675.22180	1.5
683.25122	1.2
704.08704	1.0
709.41638	4.3
710.42120	1.3
727.42712	100.0
728.43164	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96395	0.5
57.03445	0.9
58.54100	0.4
59.01374	6.0
61.98828	4.8
69.03458	1.1
71.01383	2.9
73.02939	1.4
83.01350	0.8
83.05026	0.6
85.02950	1.2
87.00848	0.7
89.02452	1.7
89.51912	0.5
93.03477	1.5
97.02959	1.7
97.06566	0.7
98.99418	0.5
99.00882	2.3
101.02470	2.5
103.73576	0.5
111.08151	0.9
113.02431	0.8
116.35693	0.4
117.03464	14.2
118.80293	0.5
119.05026	100.0
120.05349	4.4
121.02940	2.5
123.04509	0.8
125.02457	1.0
125.06112	0.7
125.09722	2.1
127.11317	0.6
133.03024	0.5
133.06580	0.5
137.02429	0.5
137.09674	1.1
145.02951	40.9
146.03281	2.5
151.04124	0.5
153.09328	0.5
155.10780	1.4
157.86476	0.5
161.04613	0.9
161.06021	0.5
162.03235	3.2
163.04005	68.4
163.11330	1.5
164.04349	3.2
165.12888	0.5
167.10735	0.5
171.10271	4.6
177.01927	0.9
179.03551	0.6
179.05537	0.7
179.14384	0.8
181.08687	1.5
181.12312	3.0
192.04306	0.7
195.13895	3.1
197.11827	2.9
199.09741	14.7
199.13498	0.7
200.10129	0.9
201.11316	4.8
205.12331	2.8
207.06821	0.6
207.10237	9.6
208.10605	0.7
209.11870	1.4
211.13356	3.3
223.13377	29.7
224.13705	2.2
225.11311	17.1
226.11679	1.2
227.12878	1.0
235.08244	2.0
243.12309	2.8
253.09264	5.4
254.09483	0.6
289.18198	0.9
291.19592	2.3
307.19211	1.0
309.20673	7.5
310.20905	0.8
355.11679	0.5
371.11761	0.8
397.68863	0.6
417.17935	0.6
435.18634	3.7
443.19205	1.2
459.22382	2.2
461.20245	4.1
473.28851	0.7
581.20135	4.2
582.21149	0.6
637.32635	0.5
649.32062	1.1
667.33246	8.6
668.33899	1.5
727.24066	10.2
727.38971	2.3
728.24158	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	727.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.2
61.03799	1.8
61.98835	20.8
64.37284	1.9
71.01364	3.6
83.05028	1.9
88.98792	1.8
96.96005	3.2
98.19891	4.5
101.02446	3.4
125.02447	7.6
137.02452	2.8
150.03154	3.3
150.13318	1.9
163.03912	1.9
165.01953	2.2
171.10287	2.1
196.58893	1.5
200.70357	1.5
201.11298	29.9
209.11815	100.0
210.12184	5.8
215.59973	1.8
219.62167	1.6
222.64261	1.7
227.12904	26.8
229.04794	2.2
235.08203	6.4
253.09380	9.2
267.66898	2.0
289.07132	7.8
342.51639	1.9
394.78351	2.2
437.20285	3.5
445.20801	14.7
460.71683	1.8
602.14844	2.3
629.31708	2.7
647.32867	2.1
655.32269	2.2
700.73370	2.0
727.21918	2.1
727.33246	24.6
728.33521	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	727.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93085	0.4
59.01387	0.9
59.26579	0.4
61.78030	0.4
61.98829	5.7
63.39428	0.4
76.93592	0.4
93.03474	1.4
113.02484	0.6
117.03465	14.6
118.03826	0.6
119.05025	100.0
120.05356	3.7
121.02976	2.0
123.00856	0.5
133.06535	0.6
145.02951	33.8
146.03319	1.6
163.04002	83.0
164.04349	3.9
171.10327	0.8
177.05547	1.7
185.11823	0.7
199.09653	0.7
199.13458	0.5
201.05437	0.8
201.11351	0.8
203.03397	0.5
207.10152	0.6
209.11824	2.7
211.13356	1.4
223.01773	0.5
225.11250	1.0
227.12854	1.3
253.09189	0.5
269.00925	0.5
284.03192	0.7
309.03891	0.8
324.06152	0.5
337.07339	0.5
339.08664	1.5
351.08725	0.6
353.10593	0.7
354.11102	1.7
369.13782	0.8
413.12314	0.7
415.89938	0.4
458.97058	0.4
485.12198	0.9
515.16797	1.4
531.16302	1.4
533.18170	1.1
545.18164	40.3
546.18573	6.9
679.21667	1.3
709.22620	4.8
710.23108	1.7
727.23792	16.7
728.24268	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	727.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
60.63029	0.4
61.98832	4.9
69.49066	0.6
69.49482	2.4
71.01368	1.9
73.02945	0.7
84.95086	0.5
89.02452	0.5
93.03461	1.3
95.05015	0.4
97.02948	0.5
98.20618	0.9
101.02445	1.4
109.06627	0.5
113.02435	0.8
116.92886	0.5
117.03465	9.8
119.05025	100.0
120.05355	4.3
121.02955	1.9
122.03801	0.4
123.04538	0.9
125.02460	0.6
125.09724	1.7
127.11307	0.5
137.09639	0.7
145.02953	29.2
146.03278	1.4
150.03218	0.7
155.10783	0.4
161.02428	0.4
162.03246	3.6
163.04004	70.7
164.04315	3.5
165.01974	0.5
165.05476	0.5
167.36797	0.4
171.10248	3.0
177.01898	0.9
181.08615	0.9
192.04303	0.6
195.06676	0.7
197.11778	4.0
199.09741	10.7
199.13300	0.5
201.11299	7.1
207.06682	0.7
207.10286	1.0
209.11835	1.4
211.13437	3.1
223.13464	0.6
225.11501	0.6
227.12856	0.9
235.08264	0.9
245.19119	0.6
247.20427	0.7
251.58023	0.5
253.09262	4.0
267.19672	0.5
281.25067	0.5
289.18057	1.6
291.19553	3.7
293.11578	0.4
294.09039	0.4
307.19138	1.4
309.20651	7.9
310.21179	0.5
353.10117	0.5
371.11356	1.1
435.18866	1.0
473.28909	0.7
513.15479	0.6
581.20172	2.8
637.32202	0.5
727.23907	7.6
727.38715	1.7
728.24426	2.2
728.36359	0.4
741.31122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62336	1.1
55.01860	2.0
57.03437	5.4
59.01377	31.9
63.45952	1.0
65.03959	1.9
67.01897	3.1
68.99792	1.4
69.03450	9.5
70.74295	2.7
70.74638	1.3
71.01383	20.6
72.30242	1.1
72.99304	2.0
73.02949	15.8
81.03461	5.0
83.01380	5.7
83.05031	3.1
84.02202	1.1
85.02949	61.1
87.00875	100.0
88.01239	1.5
89.02487	1.7
93.03475	6.9
95.01392	21.8
97.02950	26.9
99.00880	2.8
99.04527	4.4
101.02461	1.2
103.04003	8.0
108.02190	2.0
109.02961	9.1
111.00862	9.3
111.04508	1.9
113.02448	17.1
115.00379	11.0
115.04048	1.4
123.00962	1.8
123.04482	1.2
125.02419	3.7
127.04011	19.0
135.04485	2.4
137.02449	4.4
139.00386	13.7
139.03973	1.2
141.05525	1.4
145.05061	6.6
149.02460	1.0
151.04034	1.7
153.01903	1.4
155.03505	2.5
157.01437	12.8
167.03369	1.1
169.05009	2.7
171.03046	2.5
173.04549	3.9
175.02472	52.5
176.02782	2.5
181.01329	1.7
184.34720	1.2
199.02466	39.5
200.02731	1.6
217.03523	21.2
241.03542	1.9
257.78564	1.2
285.06204	2.1
303.07208	16.4
321.08160	7.4
345.08234	8.5
370.79080	1.1
387.09390	14.5
405.10345	6.0
563.12415	3.3
581.13483	1.9
623.14624	9.1
701.52460	1.1
709.18268	12.2
710.18439	3.1
727.19348	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	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98524	0.3
69.12506	2.5
77.48900	0.2
78.95901	7.6
82.90507	0.2
96.96996	0.8
99.50453	0.3
152.99588	3.9
153.00665	0.4
153.99940	0.5
171.10254	0.7
188.93596	0.3
195.13892	0.8
196.14322	0.3
209.11884	0.8
219.13365	0.3
253.58614	0.3
255.23340	1.4
256.23682	0.8
270.52679	0.3
277.21716	0.4
278.22235	0.3
281.24963	0.8
293.21338	0.4
294.21683	0.6
295.22845	1.8
296.23224	1.0
417.66455	0.3
429.20502	0.6
430.20905	0.7
431.21591	1.2
432.22577	0.9
578.80133	0.3
666.34619	0.3
726.44354	3.6
727.45221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.3
69.40690	1.3
69.41091	4.1
81.03439	1.3
83.01394	3.2
87.07010	0.7
95.05033	1.1
97.02951	2.1
105.89246	0.8
108.02182	1.5
109.02943	11.1
109.19604	0.7
111.00850	0.8
121.02946	2.3
123.00871	0.8
123.04529	7.7
125.02443	100.0
126.02776	3.0
131.04990	1.3
133.02953	4.9
135.04521	3.0
137.02448	17.6
139.03993	2.1
145.02966	4.8
146.03738	1.3
149.02390	4.2
151.03998	7.4
156.07576	0.8
159.04564	4.1
161.02428	25.1
161.06107	3.9
162.02933	1.8
163.00356	2.4
163.04022	2.8
164.01158	3.0
165.01950	3.9
173.06020	0.9
174.03241	1.0
175.03984	10.2
177.01921	13.9
179.03494	1.9
183.04456	1.7
185.06050	3.4
187.04036	7.2
188.04720	1.3
193.05019	1.0
199.03970	2.4
201.05576	3.0
202.06400	0.9
203.03558	1.3
203.07158	5.0
205.01416	1.6
205.05046	2.8
209.05917	1.0
211.04066	2.3
213.05617	1.5
215.03485	1.1
217.05019	3.5
219.02957	2.4
221.08102	1.2
225.05598	2.1
227.03552	1.7
227.07175	2.3
229.05013	4.2
237.05542	1.2
241.05139	0.9
243.02972	6.7
243.06693	1.3
245.04622	5.7
245.08109	5.6
246.04604	0.8
253.05064	3.1
255.02881	7.0
256.03738	4.3
257.04263	1.1
269.04593	1.9
271.06100	12.3
273.04141	5.0
273.07040	1.0
281.04471	3.9
282.04758	0.8
283.02530	1.3
285.04059	4.0
287.05594	8.8
289.07175	33.6
290.07520	1.4
297.04099	2.2
299.05524	5.5
310.04846	0.9
321.07843	1.7
329.06686	1.2
339.08685	2.4
363.08786	2.7
371.08307	0.9
381.09906	1.4
389.06656	6.4
390.07159	0.9
394.86215	0.8
407.07684	58.3
408.08044	5.8
425.08722	6.4
426.08658	1.2
433.09329	5.6
439.10419	2.5
451.10242	11.5
452.10666	1.0
531.12952	0.9
539.96112	1.0
557.10699	9.2
558.11694	1.0
559.12250	3.3
560.12927	1.6
575.11865	14.6
576.12164	2.3
577.13251	7.5
578.13782	2.2
601.13422	2.3
706.91583	0.8
727.16412	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	726.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57416	1.1
55.46158	1.1
61.93780	1.2
63.56836	1.3
64.41814	1.3
66.03485	2.3
68.05061	1.7
71.52351	1.5
72.00915	1.9
75.24666	1.4
83.92891	1.1
89.89130	1.0
91.05530	3.9
97.02957	1.9
114.05602	67.2
117.03419	1.6
118.48287	1.4
135.04523	11.8
140.02469	2.0
140.03546	35.4
151.00354	4.4
158.04584	63.6
159.04930	1.5
205.41341	1.3
232.09819	4.3
258.07657	1.6
276.08737	100.0
277.09048	6.0
285.03992	2.8
303.05069	1.6
583.95264	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	726.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
62.36183	0.4
69.77386	0.5
69.81287	0.5
70.02975	0.8
71.01376	5.5
71.50313	0.5
81.03445	0.6
88.04040	71.5
89.04390	1.5
91.05548	2.5
104.05990	0.4
114.01971	5.0
115.00377	12.9
123.04519	2.8
125.02446	1.8
132.03027	100.0
133.03424	2.4
134.06117	0.7
135.04543	4.0
145.05215	0.5
167.03482	11.7
168.40332	0.4
175.71846	0.6
182.12933	0.5
183.53207	0.6
206.08206	1.7
250.07193	97.8
251.07516	7.0
262.93958	0.5
311.73868	0.6
475.14572	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	726.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.24925	0.4
61.91457	0.4
61.98829	100.0
66.79467	0.4
71.49531	0.5
78.95909	8.4
86.67702	0.4
96.96980	0.5
101.51462	0.4
133.29602	0.4
144.64099	0.5
152.99588	5.0
167.99797	0.4
171.10341	1.6
173.23154	0.4
209.11838	4.6
253.09314	0.5
255.23320	3.3
256.23761	1.4
277.21774	0.5
281.24854	11.1
293.21255	0.5
294.21542	0.5
295.22714	3.5
296.23114	0.9
328.72504	0.4
345.69406	0.4
429.20398	0.6
430.21042	0.6
431.21762	0.9
432.22275	1.2
441.01401	0.4
453.65488	0.4
631.48157	0.6
637.37347	0.6
694.38928	0.5
726.43561	4.0
727.49261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36861	0.3
57.42313	0.3
59.01374	0.4
61.87337	0.4
61.98828	100.0
71.49889	0.5
78.95905	5.7
79.18961	0.4
80.91712	0.4
96.96935	0.6
135.29373	0.3
152.99571	3.0
171.10257	1.0
195.13895	0.6
209.11858	1.6
225.11311	0.4
241.01123	0.7
255.23325	2.0
256.23767	1.1
267.23376	0.4
281.24829	2.7
282.25327	0.4
293.21368	0.4
294.21518	0.6
295.22818	1.5
296.23181	0.8
431.22037	0.6
432.22485	0.7
449.22672	0.6
726.43518	3.2
727.44244	0.7
744.40002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4476
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
56.44978	0.6
59.01370	4.9
61.98825	10.1
71.01383	5.6
71.12325	0.9
71.12659	1.0
73.02937	1.4
78.95493	0.7
78.95905	11.0
80.96515	1.0
83.05031	1.1
85.02975	1.1
87.00873	1.7
89.02416	1.8
96.96932	1.4
97.06557	0.8
101.02430	2.9
111.08145	0.9
113.02419	1.6
119.03463	0.9
123.12392	0.6
152.99609	7.2
158.23944	0.7
161.04550	1.3
165.12839	8.7
166.13052	0.7
171.10260	4.4
183.13890	58.2
184.14195	2.4
195.13898	1.5
207.10301	0.8
209.11870	5.1
225.11353	1.3
227.12834	3.6
235.08174	2.7
246.88159	0.7
253.09293	5.8
255.23247	4.1
279.23273	100.0
280.23624	10.4
281.24823	2.5
293.21182	1.4
295.22687	2.0
421.48639	0.8
427.24316	0.7
429.20178	1.0
430.21182	0.7
431.21597	1.6
445.20572	2.0
463.21866	1.8
471.16544	0.8
707.38165	1.4
713.35571	0.9
725.44940	67.9
726.45386	16.8
754.38904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32942	0.6
57.03458	1.4
59.01378	8.9
61.98828	5.3
67.38742	0.6
69.03478	0.7
71.01373	5.7
73.02948	1.5
79.84579	0.7
83.01425	1.3
85.02943	2.3
89.02437	3.8
89.64034	0.7
95.04994	1.0
96.85509	0.7
97.06594	2.9
98.19884	1.9
100.37557	0.6
101.02422	6.4
113.02467	2.8
116.92902	0.7
119.03522	1.5
125.02494	0.8
143.03532	0.6
151.11281	17.0
155.10678	0.8
161.04605	2.1
169.12338	100.0
170.12651	4.4
171.10297	1.5
173.37639	0.7
179.05710	1.0
183.13896	1.9
185.11812	2.5
195.10249	2.4
195.13857	4.8
197.11823	4.4
199.13373	2.2
209.11792	2.1
211.13329	6.8
212.13747	4.0
213.11310	16.3
213.13589	0.9
213.14066	0.7
214.11641	1.0
223.13391	2.7
235.08228	1.8
243.47313	0.8
253.09291	7.6
275.20227	3.4
276.19611	0.6
279.19727	1.9
279.23010	0.8
280.65588	0.7
281.24765	1.2
291.19562	1.4
293.21240	26.6
294.21582	5.6
295.22278	1.6
309.20715	2.5
431.19269	3.6
449.20322	11.7
450.20819	1.5
460.58521	0.9
707.38708	0.9
725.41089	92.3
726.41498	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	725.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70565	1.4
55.32965	1.0
59.01350	1.2
61.98829	100.0
78.95903	95.0
83.05053	1.3
96.96967	11.0
114.53935	0.9
134.98579	2.2
152.99574	56.7
153.99965	1.8
171.00662	1.6
171.10258	9.5
195.13881	14.7
196.14404	1.3
207.10324	1.5
209.11861	9.7
210.12241	1.7
223.13293	1.9
225.11334	2.6
227.12843	1.5
241.01208	4.4
249.95679	0.9
255.23233	21.3
256.23767	1.9
275.20197	1.5
277.21655	7.3
278.22232	1.3
279.23489	1.6
281.24783	11.4
282.25278	1.6
293.21207	23.9
293.24316	1.3
294.21542	2.2
295.22775	33.2
296.23123	4.6
356.13336	1.0
391.22366	1.3
429.20355	21.7
430.21021	2.3
431.22018	28.6
432.22504	3.1
447.21506	6.1
449.22919	5.9
450.23553	1.4
604.80383	1.2
693.39948	1.9
725.43787	57.3
726.44092	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.3
59.01374	6.3
69.03433	1.4
69.38612	0.8
70.81392	1.7
71.01373	5.7
74.32147	0.9
77.47385	0.8
83.05018	1.2
85.02952	1.9
87.00872	1.9
89.02428	2.2
95.04990	2.4
97.06595	6.3
101.02406	4.4
113.02451	1.7
145.58350	0.8
149.09760	1.1
151.11287	17.2
155.69962	0.8
159.44160	0.8
161.04538	1.8
169.12344	56.4
170.12657	2.5
195.10220	3.4
195.13857	6.6
205.12361	1.1
211.13435	1.1
213.11322	8.3
223.13466	4.1
235.08192	1.6
239.91367	1.0
253.09340	4.8
260.26633	1.0
275.20087	3.0
293.21231	26.6
294.21524	1.5
431.19089	3.1
449.20242	3.3
450.90027	0.9
707.41199	1.1
725.41125	100.0
726.41504	25.0
740.46899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	10.1
61.98826	11.3
70.71652	3.5
71.01370	10.2
71.49725	3.5
78.95889	11.2
83.05023	4.8
89.02439	9.3
101.02419	6.8
113.02461	4.2
125.09775	5.4
134.62898	3.2
152.99525	9.7
167.10857	4.1
171.10231	8.4
185.11821	100.0
186.12195	3.5
197.11835	16.5
209.11795	24.5
211.13370	44.6
212.13651	9.7
213.13766	4.4
227.12822	6.4
234.55807	3.7
253.09254	17.2
277.21701	40.3
278.22049	4.3
279.23254	21.3
281.24927	8.3
293.21234	13.1
294.21564	7.1
295.22778	31.0
296.23239	4.8
302.62759	3.6
309.20749	6.1
471.16257	8.2
707.38281	5.7
725.40839	72.5
726.41333	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	725.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.2
69.03449	2.0
71.01377	2.5
71.05019	0.6
73.02942	0.5
78.72498	0.3
83.05024	0.5
85.02964	0.5
85.06586	0.7
87.00878	0.7
89.02457	1.5
95.05041	0.5
101.02431	2.1
103.58609	0.3
109.06561	0.4
113.02451	1.3
125.09775	0.5
131.96140	0.3
149.09639	0.6
161.04605	0.5
167.10739	3.0
169.12349	0.5
177.12823	0.6
179.05646	0.5
179.10768	1.3
179.14391	3.0
182.92189	0.4
195.13890	10.1
196.14330	0.5
197.11815	3.7
205.12318	10.1
206.12668	0.9
209.52289	0.4
211.13457	0.4
223.13380	100.0
224.13718	7.1
235.08267	2.2
242.57985	0.4
244.59787	0.4
253.09279	5.3
254.09587	0.5
293.21295	0.5
309.20901	0.9
411.25394	1.0
429.26230	0.7
441.21075	1.9
459.22363	13.7
460.22879	2.1
647.34241	2.0
665.35284	2.0
666.35785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.1
61.98830	100.0
70.73505	3.9
71.01383	15.0
78.49819	4.2
78.95905	6.0
82.65730	4.1
89.02451	7.3
91.31005	4.2
94.10302	4.3
96.96028	6.4
125.02421	13.9
163.11224	4.9
171.10210	8.6
181.12479	5.7
197.11882	10.8
199.09766	20.5
207.10158	6.6
209.11845	91.6
210.12170	5.8
211.13408	56.6
212.13713	6.5
223.09676	4.9
223.13519	6.5
225.11382	7.1
227.12878	19.3
228.13370	5.3
235.08240	9.3
253.09277	10.9
365.58823	5.8
405.28320	5.2
447.22086	5.7
460.80966	5.3
533.19299	6.2
725.34863	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	725.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48586	8.0
52.96889	6.5
59.01375	33.3
61.98835	100.0
71.01391	23.3
73.87128	8.1
78.95918	9.2
87.00869	10.4
88.98837	8.2
119.05061	9.4
123.04542	9.0
125.02466	12.7
131.04636	15.6
134.96635	7.5
137.02483	12.0
161.04530	10.1
163.15337	7.3
185.11835	12.4
197.11784	32.7
199.09761	23.0
207.10301	10.8
209.11864	70.4
210.11974	9.3
211.13425	88.9
227.12892	25.5
235.08127	10.4
253.09326	14.7
281.24783	8.9
288.00800	8.8
289.18112	10.5
293.21243	8.6
309.20697	13.5
371.20413	15.7
371.24554	17.9
447.22345	14.8
597.10614	7.7
609.40985	8.1
639.33765	9.5
725.35156	32.9
726.36731	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	725.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
59.01380	10.6
69.03456	2.7
69.42829	0.5
70.00866	0.9
70.01244	0.8
71.01389	2.8
71.05002	1.2
78.83171	0.4
83.05003	0.6
85.02922	1.0
87.00883	1.1
89.02440	1.8
101.02438	2.1
102.18406	0.4
109.06588	0.9
111.08154	0.7
113.02463	0.9
119.03482	0.7
125.09750	0.8
127.03925	0.5
149.09686	0.7
158.55606	0.5
161.04549	1.4
162.38542	0.5
167.10712	3.6
169.12296	1.0
177.12869	0.7
179.05626	0.5
179.10817	1.0
179.14435	3.7
195.13902	11.7
196.14172	0.8
197.11833	9.0
205.12303	9.6
206.12573	0.6
211.13280	0.6
223.13385	100.0
224.13701	7.4
235.08177	2.1
238.82417	0.6
253.09303	4.6
291.19687	0.9
293.21289	0.6
309.20660	2.7
411.25253	0.6
429.26443	0.9
441.21277	2.0
459.22379	15.2
459.28580	1.0
460.22821	1.9
527.77667	0.5
553.66327	0.6
597.13586	0.6
621.32617	0.5
647.34637	1.7
665.35962	2.4
666.36328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94004	0.2
59.01372	0.2
61.98831	100.0
67.38125	0.2
74.75518	0.2
77.88964	0.2
78.95906	4.9
80.96514	0.3
96.96967	0.7
120.69485	0.2
152.99585	3.0
171.10243	1.1
195.13957	0.3
209.11815	1.4
210.12312	0.3
227.12961	0.3
241.01276	0.6
255.23260	2.7
277.21887	0.5
279.23367	0.3
281.24997	0.7
293.21313	0.9
295.22742	1.4
429.20441	0.5
431.22186	0.8
449.23291	0.4
487.19708	0.4
488.20078	0.4
707.38116	0.3
724.41956	0.8
725.41425	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	724.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05690	0.2
59.01389	0.4
61.98828	100.0
69.42896	0.5
69.43312	1.2
78.95901	6.8
88.83215	0.3
96.96989	1.4
101.28683	0.2
105.79137	0.2
127.11332	0.3
131.52548	0.2
152.99609	2.3
156.05443	0.2
163.11375	0.2
171.10258	5.4
209.11777	1.4
223.00072	0.4
227.12854	0.4
241.01233	2.0
246.79536	0.3
255.23276	6.6
255.25893	0.4
279.23157	0.5
281.24847	0.4
293.21362	1.0
297.04007	0.3
391.22653	0.6
429.20963	0.3
553.27606	0.4
724.42340	0.3
725.39032	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	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
58.00612	0.3
58.26522	0.3
59.01378	5.4
61.98826	1.6
71.01381	4.3
72.99313	0.4
73.02958	0.9
78.95921	0.9
83.01408	0.8
83.05050	0.4
85.02940	1.4
87.00872	0.6
89.02448	2.5
97.02979	0.5
101.02434	4.1
103.04043	0.3
109.06577	0.4
111.08171	0.5
113.02453	1.8
113.26463	0.3
119.03503	0.9
130.07724	0.3
133.05067	0.4
152.99603	1.4
161.04546	1.4
161.09624	0.3
163.11322	0.4
165.12848	6.5
166.13104	0.5
179.05531	0.6
183.13893	100.0
184.14233	6.0
185.11906	0.3
190.35535	0.3
199.13362	0.4
207.10294	1.0
209.11830	3.3
211.13408	0.9
225.11331	0.8
227.12904	5.5
228.13300	0.4
229.53764	0.4
235.08185	3.6
244.62422	0.3
253.09293	5.4
253.21605	0.4
254.09245	0.3
277.21713	32.8
278.22092	3.8
279.23358	2.1
293.21069	0.7
419.22717	1.1
445.20676	2.3
463.21796	5.6
464.22171	0.9
469.14709	0.8
705.36505	0.9
723.43213	52.3
724.30664	0.7
724.43591	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61786	0.2
57.03463	0.2
59.01380	4.1
61.98832	3.4
62.27257	0.2
63.99265	0.3
67.96091	0.2
68.99831	0.2
69.03432	0.4
71.01382	2.8
73.02938	0.6
83.01392	0.2
83.05042	0.7
85.02952	0.9
85.85732	0.2
87.00868	0.9
89.02448	2.2
95.01395	0.3
95.05045	0.4
97.02947	0.2
97.06533	0.3
98.19989	1.1
98.20661	0.6
101.02441	2.6
104.11736	0.2
111.08169	0.3
113.02430	1.3
113.09682	0.2
114.59652	0.2
115.04026	0.3
119.03507	0.7
125.02399	0.3
133.05093	0.2
140.41451	0.3
143.03537	0.3
145.05052	0.6
149.09744	0.3
155.10751	0.3
161.04553	1.2
163.11293	0.4
165.12842	0.4
167.10782	0.5
167.14391	0.7
171.10292	0.3
179.05690	0.5
179.14461	0.5
181.12308	0.3
183.13899	6.3
184.14235	0.6
193.12358	2.1
195.13889	4.7
196.14452	0.7
205.12291	0.5
209.11829	9.4
210.12172	0.5
211.13387	100.0
212.13733	6.7
223.13390	2.9
227.12910	1.2
228.13507	0.4
235.08226	3.2
249.22133	0.3
253.09280	13.2
254.09650	0.8
256.13126	0.6
275.20151	4.1
276.20474	0.5
277.21722	5.3
278.22113	0.7
291.19632	0.5
292.20020	0.4
293.21219	58.9
294.21585	5.8
362.09540	0.3
429.21368	0.3
447.22397	4.4
448.22723	0.8
487.34250	0.5
529.30371	0.8
725.52185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
58.00577	0.3
59.01380	3.3
59.01656	0.4
61.78765	0.2
61.98828	0.4
70.98209	0.4
71.01373	2.4
72.99276	0.2
73.02962	0.5
81.17670	0.2
83.01380	0.4
83.05011	0.7
85.02946	0.7
87.00878	0.8
89.02430	2.2
95.01368	0.3
99.00882	0.2
101.02441	2.8
111.08163	0.3
113.02451	1.6
115.93591	0.2
119.03503	0.5
143.03487	0.4
153.94400	0.2
155.10732	0.3
161.04544	1.4
163.11282	0.2
165.12848	0.3
167.10780	0.4
167.14473	0.4
179.05521	0.3
179.14397	0.4
183.13889	6.0
184.14313	0.3
193.12337	1.7
195.13896	5.0
196.14478	0.9
205.12251	0.5
205.15753	0.4
209.11830	7.3
209.13797	0.5
210.12114	0.4
211.13380	100.0
212.13727	6.7
223.13387	2.6
224.13803	0.3
227.12912	0.5
228.13605	0.4
235.08250	3.0
253.09279	14.3
254.09671	0.8
256.13214	0.7
265.21738	0.3
275.20129	4.7
276.20346	0.3
277.21664	3.6
278.22174	0.3
293.21213	59.3
294.21564	6.5
328.31366	0.2
420.16055	0.2
429.21512	0.3
447.22360	4.1
448.22675	0.7
479.39478	0.2
487.34314	0.6
529.30292	0.8
639.20880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55588	0.6
59.01375	4.4
61.98829	42.0
62.96412	0.9
66.89720	0.7
68.22461	0.6
69.41343	2.9
69.41763	2.1
69.69492	0.7
70.93404	0.6
71.01405	0.6
78.95903	100.0
83.04993	1.3
83.76409	0.7
90.01471	0.7
93.03375	0.7
96.96964	8.7
108.83984	0.8
110.11026	0.7
116.92775	0.7
134.98535	1.6
152.99580	57.0
153.99940	0.8
163.11357	1.2
171.00633	1.8
171.10242	0.7
190.63292	0.7
195.13911	9.6
196.14395	1.4
199.13388	1.3
207.10263	0.8
209.11829	14.2
210.12256	1.0
211.13367	2.4
223.13379	5.0
225.11320	1.0
227.03241	0.7
227.12889	5.9
235.08304	0.9
253.09340	1.2
253.21690	2.2
256.13098	1.3
275.20187	4.4
277.21701	8.3
278.21960	1.5
279.23325	3.1
281.24969	0.8
293.21216	46.5
294.21512	4.0
415.14328	0.8
429.20450	44.4
430.20547	5.6
447.21475	12.7
487.19525	10.8
488.19897	0.9
512.22491	0.7
723.42285	50.5
724.42511	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	723.432
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01881	0.6
57.03454	1.0
58.00600	0.5
59.01378	8.7
59.57620	0.6
61.98830	10.1
70.80814	0.6
70.81141	1.3
71.01379	6.1
73.02952	2.0
77.03088	0.5
78.95907	0.9
83.01401	1.1
83.05019	0.7
85.02950	1.5
87.00897	1.7
89.02440	3.3
95.01405	0.6
97.06608	1.0
101.02436	6.2
103.00792	0.6
111.08172	1.3
113.02459	2.3
119.03512	1.2
145.05089	0.7
152.99548	1.5
161.04582	2.2
165.12860	10.5
166.13210	0.5
166.28282	0.5
183.13899	94.1
183.99402	0.5
184.14244	5.4
209.11790	5.8
225.11179	0.6
227.12907	5.3
233.22922	0.5
235.08246	4.1
253.09280	7.0
254.09581	0.6
277.21716	100.0
278.22067	11.4
279.23438	0.7
445.20795	2.4
463.21793	3.8
469.14841	1.2
652.62524	0.7
723.43237	75.0
724.43622	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	723.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01387	6.7
61.98827	32.9
68.00008	1.7
71.01377	8.5
81.03452	1.6
83.05034	4.8
84.02136	1.5
87.00876	3.9
88.98811	3.8
89.02460	2.6
95.66412	1.5
96.96021	2.9
99.00843	1.9
101.02447	2.0
105.01961	1.4
113.02448	2.0
116.92882	2.1
123.04524	2.2
125.02445	3.7
125.09732	2.6
127.11262	1.4
137.02393	3.1
151.04070	1.4
152.71234	1.2
154.80489	1.4
163.04091	1.4
163.11282	4.7
165.12827	3.0
167.03468	4.7
169.12308	4.6
171.10280	13.0
174.25697	1.4
181.12262	2.2
185.11893	1.9
197.11784	2.2
199.09703	1.7
199.13344	4.8
201.11327	27.1
201.13199	1.7
207.10233	2.9
209.11819	100.0
210.12122	7.1
215.12744	2.0
225.11256	5.1
227.12886	14.8
235.08223	4.3
253.09254	9.8
437.20239	2.2
445.20920	4.2
487.63083	1.6
502.39017	1.5
603.84308	1.4
645.32574	1.4
660.85010	1.5
687.31165	3.0
705.32697	6.5
723.38239	1.9
728.89886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	1.5
59.01381	20.8
60.92990	1.1
61.98829	80.7
64.99893	1.2
65.79266	1.3
69.23915	8.0
69.24320	3.3
75.35143	1.1
78.95905	40.3
81.03422	2.0
83.05030	6.2
84.02165	1.9
86.28123	1.2
96.96953	3.5
104.08091	1.2
125.06036	1.3
145.07602	1.3
152.98369	2.4
152.99583	50.1
163.11235	5.6
165.12837	4.6
169.17223	1.5
171.00604	3.6
209.11813	100.0
210.12186	6.9
227.03166	4.4
227.12865	11.6
240.34268	1.4
245.04189	1.2
253.21674	16.8
254.22060	2.3
279.23331	1.4
293.21216	4.6
295.22748	2.8
311.22253	1.9
363.11908	1.7
437.15625	3.4
455.16498	7.2
487.19473	68.1
488.19855	7.8
691.38361	6.5
723.40912	56.5
723.53937	2.0
724.41333	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	723.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.1
59.01374	1.9
69.03429	0.8
70.45830	1.1
70.46181	3.1
70.74901	0.9
71.01385	1.3
76.36854	1.0
81.03436	2.4
83.01376	5.8
84.38199	0.9
93.03446	5.6
95.01398	1.0
95.05008	2.5
97.02941	5.7
101.02457	1.2
107.05054	1.2
109.02950	19.6
109.45301	1.0
111.04498	1.4
119.04980	1.3
121.02934	3.6
123.04527	16.3
125.02446	33.5
126.02804	1.3
127.04015	3.4
131.05075	1.0
133.02965	1.5
135.04536	2.4
137.02444	19.4
138.02950	1.0
139.03983	2.7
145.02919	2.1
146.03677	1.2
147.04507	1.0
149.02443	7.2
150.03259	1.0
151.03992	10.5
155.03452	2.1
159.04482	2.9
161.02463	7.3
161.06076	4.2
161.08189	2.8
162.03116	1.6
163.00391	1.1
163.03983	2.4
164.01161	11.4
165.01915	4.7
167.03487	2.4
173.06079	2.0
175.03963	5.5
175.07652	1.1
177.01904	3.0
179.03540	5.1
181.06477	1.4
185.06059	2.8
187.04036	5.8
188.04713	3.7
199.02374	2.0
199.03999	2.1
202.06314	1.7
203.03502	1.2
203.07170	11.3
205.01460	1.1
205.05048	8.8
209.06036	1.5
211.04062	1.3
213.05418	1.4
215.03467	1.4
217.05307	1.2
221.08131	2.0
225.05531	1.6
227.03484	1.6
227.07127	2.0
229.05035	4.0
231.02991	1.7
231.06474	1.2
235.64439	0.9
241.04910	1.3
243.02930	2.0
245.08148	14.2
253.02522	1.0
253.05057	17.5
254.05396	2.0
255.02998	4.0
255.06610	3.9
256.03665	2.8
257.04330	1.8
265.05185	1.4
267.02948	1.0
267.06467	1.6
269.04544	3.2
269.08121	1.2
270.05176	2.7
271.06213	7.0
273.07715	4.1
281.04480	2.9
283.02438	1.5
285.04041	2.2
289.07172	100.0
290.07510	8.8
293.08157	1.7
295.02588	1.1
295.05963	2.2
297.04025	1.7
325.28659	0.9
329.06430	0.9
331.08051	1.1
339.08591	1.1
407.07672	22.9
407.12704	1.9
408.07959	3.0
417.09906	3.5
419.07556	1.9
425.08725	4.2
433.11279	9.4
434.11569	1.4
435.10565	7.2
436.11496	1.6
445.11179	1.2
499.13898	1.5
525.11896	13.9
526.12122	2.2
543.13037	6.9
567.96948	1.0
571.14246	2.1
597.15857	4.2
723.19556	6.0
724.19830	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	722.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98828	100.0
65.01440	0.2
65.39594	0.2
68.05448	0.2
71.26170	0.4
78.95909	2.4
96.96978	0.2
121.89274	0.2
133.94141	0.2
152.99567	1.8
163.61513	0.2
185.11823	0.2
195.13878	0.3
199.13391	0.3
207.10384	0.3
209.11832	1.0
225.11354	0.3
227.12991	0.4
277.21683	1.3
278.22241	0.3
279.23102	0.4
293.21219	1.4
327.54596	0.2
429.20334	1.5
447.21811	0.2
487.19531	0.6
500.66382	0.2
542.99768	0.2
715.09198	0.2
723.42267	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	722.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
61.98830	100.0
62.07219	0.2
62.98550	0.3
71.33608	0.4
78.95906	1.9
101.31992	0.2
109.54330	0.2
152.99561	1.8
163.11372	0.2
209.11827	3.1
224.71420	0.2
227.12895	0.4
253.21835	0.6
255.23259	0.3
293.21503	0.2
455.16891	0.4
487.19464	2.4
532.41437	0.2
723.40973	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	721.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20550	1.3
59.01395	1.2
60.22655	1.3
69.98344	1.3
78.95904	24.8
79.95729	1.6
80.96480	1.5
82.85960	1.2
98.19846	3.0
110.98549	14.1
122.97596	3.3
126.26466	1.5
152.99617	3.0
167.01134	5.2
195.13857	6.2
223.13370	5.5
255.23322	11.5
256.23788	1.5
275.20160	4.7
277.01175	1.5
277.21704	100.0
278.22086	11.0
293.21204	64.8
294.21561	7.9
443.22211	1.9
445.23615	4.0
461.22992	6.1
707.43396	1.5
721.44208	30.4
722.44385	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	722.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01378	0.7
59.56497	0.2
61.98825	0.2
63.96640	0.2
69.17435	1.8
70.57099	0.2
71.01389	0.4
73.02975	0.2
81.03460	0.3
83.01383	0.3
89.02448	0.4
93.03489	0.3
93.56763	0.2
95.05035	0.4
97.02952	0.5
99.00881	0.4
101.02430	0.2
101.51763	0.2
106.56551	0.2
108.02174	7.5
109.02972	2.2
117.55531	0.2
121.02956	0.3
123.04522	1.6
125.02470	1.8
133.02975	0.2
137.02448	1.3
138.01968	100.0
139.02325	3.3
145.02985	0.2
149.02383	0.3
151.02747	0.6
151.04022	0.8
159.04491	0.3
161.06049	0.4
164.01125	0.3
165.01956	0.4
167.03423	0.2
175.04034	0.2
179.03500	0.5
180.02997	1.7
187.04012	0.5
188.04701	0.3
191.05615	0.3
203.07132	1.0
205.05025	0.5
245.08209	1.2
252.61565	0.2
270.06009	0.2
273.77118	0.2
289.07178	4.5
290.07465	0.6
312.07254	0.3
354.08270	0.4
388.16351	0.2
432.11417	22.7
433.11737	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	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.1
59.01382	13.4
61.48075	1.0
61.98814	3.4
63.52867	1.1
70.97450	2.6
71.01389	9.3
71.04992	1.4
73.02937	2.1
81.03431	2.3
83.05012	3.3
84.57005	1.3
85.02940	3.2
87.00906	1.0
89.02425	5.7
90.30650	1.0
95.01354	1.9
95.05023	2.5
97.02966	5.2
99.00873	1.7
101.02464	6.0
109.06594	35.6
110.03749	1.2
113.02455	3.6
119.03497	2.0
121.06558	2.0
135.08136	2.4
161.04523	3.2
161.09668	2.9
163.11299	19.2
164.11629	1.0
173.19514	0.9
179.10634	1.8
181.12329	4.7
189.09238	5.0
207.10260	100.0
208.10667	6.6
209.11758	2.6
211.13396	5.4
223.13261	1.1
225.11319	87.5
226.11661	4.6
227.13078	1.2
235.08170	5.3
243.12224	1.8
253.09290	14.7
277.21713	87.5
278.22031	9.6
291.19595	3.9
299.14890	1.7
441.33691	1.7
443.19119	7.8
461.20291	24.5
462.20688	2.6
485.32022	1.2
498.03503	1.2
721.28522	1.8
721.41571	36.4
722.42053	9.1
742.31287	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.42110	1.2
57.03443	1.1
59.01378	14.1
61.98831	4.2
69.03452	1.2
71.01381	8.3
73.02966	2.2
78.95885	1.2
81.03424	1.3
83.01423	1.4
83.05016	2.3
85.02922	2.1
87.00872	2.0
89.02462	3.3
94.67520	1.0
95.01381	1.7
95.05014	3.2
97.02970	6.2
98.20720	2.8
101.02434	6.4
107.09723	1.1
109.06591	13.9
110.03770	2.1
113.02453	2.9
119.03512	1.5
125.09731	4.7
135.08194	1.7
161.04575	2.3
161.09679	2.1
163.11282	10.7
168.38634	1.0
179.10750	1.4
181.12302	2.0
185.11816	4.0
189.09235	4.8
197.11836	1.2
207.10254	49.7
208.10524	3.2
209.11804	4.5
211.13426	5.6
213.99492	1.0
223.09756	1.6
225.11310	70.9
226.11664	4.1
227.12892	4.1
235.08279	8.2
253.09253	12.6
255.23286	1.6
275.20065	1.5
277.21710	100.0
278.22021	11.2
279.23395	1.2
286.29840	1.1
291.19623	4.7
293.21274	7.0
339.89758	1.1
415.36841	1.1
443.19214	6.1
445.20633	2.3
461.20221	12.4
467.31802	1.5
480.31000	1.2
703.40955	1.5
721.41510	24.7
722.41534	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	721.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01373	4.1
61.98827	100.0
62.98539	0.8
63.95663	0.7
66.83590	0.7
71.01380	6.2
71.05022	3.3
73.02974	0.8
75.00945	0.7
80.02679	0.8
81.03409	0.7
83.05045	3.3
84.02171	0.9
87.00907	0.9
89.02448	2.9
93.03497	0.8
95.05017	1.0
95.74919	0.7
97.02951	2.6
97.06602	3.0
98.85529	0.7
99.00871	14.0
101.02454	3.6
109.06595	2.0
113.02460	1.3
123.08116	1.8
125.02413	1.8
125.09708	6.3
135.08134	1.2
153.12900	1.1
163.11290	12.1
164.11658	0.9
165.12836	2.1
167.03415	1.4
169.12312	1.2
171.10269	8.4
181.12321	14.2
182.12666	1.0
197.11812	2.4
199.13350	9.7
207.10234	20.8
209.11803	40.3
210.12253	2.8
225.11304	31.6
226.11690	2.1
227.12848	3.7
235.08263	1.5
243.12347	18.0
244.12520	1.2
253.09381	2.9
287.11801	0.8
365.32428	0.8
461.20416	2.7
479.21143	5.5
671.33173	2.3
685.31696	1.0
689.33856	91.6
690.34119	19.1
703.32562	1.2
721.36530	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	721.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72476	0.8
57.03460	0.9
58.60213	0.8
59.01380	7.8
59.78495	0.7
60.43322	0.7
61.98830	100.0
62.98528	0.9
63.99246	0.9
65.06014	0.6
69.14260	7.7
71.01380	12.1
73.02941	2.1
78.95920	2.7
80.91695	2.4
81.03482	1.3
83.01399	1.5
83.05038	1.5
85.02956	1.9
87.00871	1.7
89.02457	3.2
89.62828	0.6
95.01340	0.8
95.05035	1.6
97.02953	2.7
97.06609	1.1
98.20666	1.5
99.00877	2.9
101.02438	3.8
109.06579	7.6
113.02476	2.7
119.03498	1.4
125.02443	1.9
125.09729	1.9
127.11240	0.9
139.36188	0.7
155.16521	0.8
161.04604	1.0
163.11252	4.6
165.12872	6.5
171.10262	14.1
181.12340	3.5
183.13892	54.5
184.14316	3.2
185.11896	1.3
197.11823	2.6
199.13393	4.1
201.11357	0.9
207.10237	22.5
208.10580	1.1
209.11800	7.8
210.12169	1.0
211.13354	7.9
225.11298	19.1
226.11758	1.6
227.12851	5.9
235.08209	3.7
243.12280	3.9
253.09326	5.8
299.14987	1.0
323.22253	1.6
364.37613	0.8
373.23914	2.8
391.24875	3.7
397.13556	1.7
397.51047	0.8
398.43439	0.8
461.20175	4.8
463.21783	5.2
479.21088	3.8
617.31903	3.4
627.34033	1.5
645.34656	1.1
653.32202	2.8
671.32764	15.9
672.33533	3.1
689.34528	4.5
703.35626	1.4
721.35834	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	720.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53363	0.3
52.87673	0.4
57.03457	0.5
59.01382	8.4
61.98830	100.0
69.03448	1.4
69.48610	2.1
71.01389	2.6
71.05012	0.4
73.02943	0.6
78.95928	0.4
83.01402	0.3
83.05056	0.4
85.02945	0.7
85.06581	0.3
87.00891	0.5
89.02450	1.6
94.97494	0.3
97.06577	0.5
101.02418	1.6
109.06577	0.4
109.95742	0.3
111.80518	0.3
113.02457	1.0
125.02429	0.4
146.10075	0.4
151.11320	0.4
161.04541	0.7
167.10802	1.6
168.11180	0.6
169.12424	0.5
179.05574	0.5
179.10744	1.0
179.14426	1.5
180.14694	0.7
191.97424	0.4
195.13896	5.2
196.14262	2.2
205.12312	4.6
206.12634	2.6
207.10178	0.4
209.11858	0.6
223.13385	49.3
224.13725	23.6
225.13931	0.9
230.25899	0.3
235.08188	0.9
236.08658	0.5
253.09233	4.9
254.09642	1.7
255.23346	1.1
256.23660	0.5
277.21716	27.4
278.22052	21.1
279.22467	0.8
279.45950	0.4
293.21283	0.4
304.27158	0.3
442.21671	0.8
443.19357	0.4
459.22333	2.9
460.22556	4.1
461.22858	0.8
512.47205	0.4
661.65680	0.4
720.45667	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	721.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	14.4
61.98828	100.0
67.63883	6.5
70.68694	15.0
70.69337	6.5
71.01377	42.5
75.62836	7.1
78.95881	15.7
88.49511	6.3
89.02446	8.5
100.21488	5.7
101.02430	8.0
101.85275	6.4
109.06664	7.4
113.52895	6.9
114.44314	6.7
125.02430	6.3
125.87799	7.1
137.02521	7.1
142.72151	6.2
146.48805	7.3
171.10307	10.8
197.11700	7.8
207.10210	9.7
209.08000	19.5
209.11829	80.1
211.13351	48.1
223.13333	19.8
225.11252	16.7
227.12790	12.2
253.09303	11.4
255.23364	25.8
275.20071	9.2
291.19687	37.3
293.21161	38.2
660.57629	6.8
696.30139	8.6
721.36517	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	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
57.08582	0.8
59.01374	6.7
61.98828	25.1
71.01383	7.1
71.05024	2.7
73.02943	1.1
76.08177	0.9
76.14916	0.8
80.02660	2.2
81.03471	1.3
83.05016	5.8
84.02166	1.0
85.02982	1.5
87.00886	1.6
89.02435	3.5
90.93183	0.9
95.05065	1.1
96.96028	1.7
97.02949	3.1
97.06596	2.4
99.00872	13.6
101.02439	3.6
109.06611	1.1
113.02444	2.6
119.03485	1.0
123.08164	2.1
125.02525	0.9
125.09698	7.5
135.08163	1.9
142.02698	1.2
153.09235	1.0
153.12897	0.8
155.14476	0.9
161.04556	1.6
163.11276	11.9
165.12880	2.4
171.10214	2.1
181.12334	19.0
182.12689	0.8
197.11778	2.1
199.13403	21.6
200.13771	1.2
207.10239	34.8
208.10628	2.4
209.11818	68.2
210.12172	5.1
225.11313	62.1
226.11632	3.4
227.12854	7.6
235.08205	1.6
243.12358	16.2
244.12694	0.9
253.09262	3.3
317.16367	0.8
461.20337	9.4
462.20718	1.2
479.21384	2.7
653.31561	4.2
668.81647	1.1
671.32715	3.9
689.33850	100.0
690.34192	20.6
721.36499	36.2
722.36652	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	721.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49414	0.2
53.60814	0.2
57.03461	0.4
59.01380	3.8
61.98828	3.3
66.30894	0.3
69.03465	0.3
71.01380	13.1
71.06713	0.5
73.02928	0.5
78.95900	0.7
80.02674	0.9
81.03473	1.3
83.01382	0.4
83.05032	4.3
85.02934	0.5
87.00891	0.7
89.02442	2.1
95.01369	0.4
95.05025	0.7
97.02979	0.7
97.06550	0.4
99.00874	0.5
101.02449	3.2
109.06596	1.4
111.08157	0.3
111.81786	0.2
112.98554	0.5
113.02443	1.5
117.14680	0.3
119.03496	0.8
125.02399	0.8
125.06055	0.6
125.09779	0.6
135.08182	0.7
141.32797	0.3
152.99620	0.3
161.04506	1.0
163.11292	3.8
165.12805	1.9
171.10262	2.0
179.05675	0.3
181.12332	1.2
183.13890	0.5
185.11813	0.4
191.10788	1.0
195.13878	3.5
199.13383	0.7
201.11349	0.5
205.12305	0.5
205.15741	0.3
207.10239	3.0
209.11815	100.0
210.12172	5.9
211.13388	4.0
223.13316	2.2
225.11336	2.5
226.11710	0.4
227.12859	0.6
228.13585	0.3
231.21300	0.3
235.08278	2.7
253.09268	12.2
254.09546	0.6
255.23254	1.8
256.13037	0.4
275.20145	5.3
276.20425	0.5
277.21674	0.3
291.19571	1.9
293.21210	40.4
294.21555	3.5
445.20734	1.2
461.20206	0.7
474.60349	0.3
485.32758	0.4
653.31396	0.3
671.32843	0.5
689.33911	1.7
690.34045	0.4
721.36395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13228	0.1
57.12152	0.2
59.01374	0.6
61.98829	100.0
71.01382	0.7
71.51556	0.2
72.97038	0.2
81.03451	0.2
83.05003	0.4
87.00877	0.4
89.02451	0.3
91.83929	0.2
95.05008	0.2
99.00874	0.5
101.02434	0.4
111.04541	0.2
116.92887	0.2
123.04565	0.3
125.02470	0.6
125.09695	0.3
137.02435	0.2
143.03433	0.2
163.03960	0.3
163.11296	0.3
169.12419	0.3
171.10312	1.0
181.12329	0.4
185.11829	0.2
195.53209	0.2
197.11819	1.2
198.60590	0.2
199.09747	0.2
199.13445	0.5
201.11401	0.5
207.10237	0.9
209.11823	3.4
210.12222	0.4
215.12978	0.4
225.11243	1.0
227.12878	0.4
237.15088	0.2
239.28766	0.2
242.51872	0.2
243.12448	0.2
253.09309	0.2
287.53311	0.2
537.69720	0.2
659.29224	0.3
685.31293	0.3
688.32678	0.4
689.33722	2.1
721.36713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.3
60.46613	0.4
61.98829	100.0
62.24857	0.4
71.49675	0.5
78.95916	0.9
79.26551	0.4
97.07571	0.5
122.37617	0.4
152.99667	0.8
207.10245	0.6
223.13351	0.6
225.11395	0.9
255.23369	0.6
277.21780	1.5
293.21729	0.4
295.22949	0.6
309.20956	0.5
412.29419	0.5
637.57483	0.5
651.58203	0.5
721.41266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98828	100.0
62.98524	0.3
66.70603	0.2
70.92648	0.6
101.02452	0.2
201.11452	0.3
209.11794	1.3
210.12192	0.5
212.81508	0.2
225.11322	0.4
232.51994	0.3
253.09358	0.3
255.23232	2.2
256.23578	1.4
277.21774	0.9
286.59976	0.3
349.64581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.6
61.98829	100.0
76.78960	0.5
98.20654	1.5
139.11438	0.5
154.54567	0.5
159.64433	0.5
162.21158	0.6
186.55849	0.6
187.35512	0.5
207.10246	1.3
223.13438	2.0
225.11377	0.6
255.23341	1.1
277.21732	5.0
278.22107	1.0
295.22607	0.5
393.71945	0.5
443.21835	0.5
523.81122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55565	0.6
59.01382	100.0
61.98829	15.7
71.01402	1.1
75.00866	0.9
78.95925	1.4
79.44258	0.6
85.25978	0.6
91.04044	1.6
111.08194	1.0
152.99641	0.8
171.10304	1.6
195.13968	1.9
197.11839	4.7
198.52036	0.7
201.11314	1.0
205.12340	0.9
223.13382	11.5
241.36690	0.7
246.65678	0.7
253.09415	1.9
255.23251	5.2
256.23709	2.4
257.23920	0.8
277.21686	8.0
291.19785	2.5
293.21216	17.2
293.24368	0.9
294.21643	1.8
309.20676	9.2
310.21127	0.9
428.87906	0.8
441.60190	0.8
459.22714	1.5
483.27197	0.9
585.41925	1.8
615.75696	0.8
673.94806	0.7
719.47009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72920	0.2
59.01381	1.8
61.98828	100.0
62.98516	0.2
71.01389	0.4
78.95918	0.4
84.01552	0.2
93.27217	0.2
94.58714	0.2
101.02487	0.3
125.02424	0.4
126.73719	0.2
126.74634	0.2
150.05133	0.2
152.99666	0.3
164.52147	0.2
183.13907	0.5
195.13983	0.3
207.10243	0.9
209.11908	0.2
211.13377	5.7
225.11388	1.0
253.09343	0.5
255.23291	0.3
277.21677	1.6
279.23038	0.2
291.19659	4.0
293.21420	0.4
298.02695	0.2
325.13226	0.2
447.22879	0.3
499.13995	0.3
570.18878	0.3
602.21960	0.6
649.60620	0.2
652.20447	0.2
660.21576	0.2
720.22656	2.4
721.22845	0.8
721.41931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98830	100.0
62.98534	0.3
63.99253	0.7
64.87397	0.1
70.79420	0.1
70.98519	0.3
71.01382	0.3
78.95908	0.2
79.21815	0.1
96.69408	0.1
101.02422	0.2
125.02422	0.2
149.49623	0.1
165.36948	0.1
171.10378	0.2
173.42110	0.1
183.13918	0.3
185.46500	0.1
199.13513	0.1
207.10236	0.2
209.11823	0.9
210.12169	0.1
211.13409	1.2
223.13521	0.1
225.11377	0.1
227.12927	0.2
253.09315	0.1
255.23338	0.1
390.96964	0.1
423.10077	0.1
739.17322	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	719.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01375	7.7
61.98828	10.9
65.95203	0.4
69.03462	1.2
69.32576	2.6
69.32997	1.0
71.01375	3.8
73.02959	0.6
78.95883	0.6
82.54769	0.5
83.05052	0.5
85.02952	1.0
87.00871	0.6
89.02438	1.6
98.20710	0.9
101.02441	3.2
103.99549	0.4
109.06602	0.7
113.02444	1.3
119.03522	0.6
145.05084	0.5
152.99554	0.5
153.09267	0.5
161.04517	1.2
167.10756	2.3
179.14442	1.8
195.13904	7.4
196.14226	0.6
205.12321	6.9
209.11725	0.6
223.13379	69.4
224.13716	3.8
235.08206	5.4
253.09261	9.9
255.23346	2.1
256.23575	1.0
277.21704	100.0
278.22052	8.7
293.21051	0.6
370.85706	0.5
441.21252	1.7
459.22211	3.9
483.27008	1.3
719.44342	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	719.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
61.98833	30.9
71.01373	3.1
73.02928	1.4
77.15807	1.0
83.05022	1.3
85.02953	1.1
87.60493	1.0
89.02451	1.8
89.55520	1.0
91.03586	1.0
91.55314	1.0
98.19942	2.9
99.00864	2.0
101.02428	3.3
113.02369	1.9
127.11267	1.4
161.04549	1.9
165.12828	1.3
171.10316	1.6
189.77409	1.1
201.11319	19.7
209.11829	40.2
210.12177	2.9
223.13322	2.0
227.12930	6.4
235.08240	9.4
253.09319	9.1
255.23291	100.0
256.23633	14.8
257.23950	2.5
277.21799	2.4
347.87488	1.0
349.56476	1.0
419.53464	1.1
515.83136	1.2
527.02844	1.1
719.44891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76886	0.7
55.01856	0.7
57.03445	1.3
58.27052	0.7
59.01374	6.2
59.23304	0.7
61.98829	44.7
69.03458	4.2
69.89476	0.6
71.01391	4.5
71.05009	2.4
73.02967	1.2
78.41663	0.7
80.02692	0.9
81.03439	1.6
83.01362	0.9
83.05025	5.8
84.02171	0.8
84.20280	0.6
85.02968	1.4
87.00856	0.6
89.02444	3.2
95.05035	1.1
96.23647	0.7
97.06561	1.0
99.00855	1.2
101.02460	3.8
111.08126	0.8
113.02431	2.1
123.08118	1.3
125.09737	2.9
151.11288	2.9
153.12857	1.6
161.04645	0.9
161.09715	2.8
163.11261	4.0
165.12843	2.4
179.10797	8.0
185.30986	0.8
191.10780	1.0
197.11833	70.5
198.12102	3.9
200.79346	0.8
209.11823	59.9
210.12212	4.0
213.26820	0.7
223.09648	0.9
227.12828	3.6
229.02435	0.9
241.10788	4.2
253.09213	3.6
277.58786	0.8
284.02829	0.8
296.67480	0.7
423.14603	0.8
477.19653	3.1
687.32263	100.0
688.32660	20.4
719.35077	19.0
720.35443	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	719.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34667	0.4
57.03461	0.7
59.01374	4.2
60.30511	0.5
61.98830	100.0
67.69846	0.6
69.03426	0.7
70.75555	1.1
70.75913	1.0
71.01373	3.8
72.99298	0.5
73.02948	1.2
80.59436	0.5
80.96491	0.5
81.03459	1.2
82.07508	0.5
83.01396	0.5
83.05005	2.7
83.38157	0.4
84.02227	0.5
85.02954	1.0
88.98836	0.5
89.02453	2.1
90.02797	0.5
96.96046	0.6
97.02970	0.5
101.02419	2.9
113.02440	1.3
119.03505	0.5
125.02492	1.5
125.09779	0.9
135.08205	0.5
137.02452	0.6
151.11226	1.0
153.09172	0.7
153.12866	1.0
161.04520	0.7
163.11317	2.9
164.11598	0.5
165.12883	1.9
168.25980	0.5
169.12340	16.5
170.12692	1.3
171.10297	2.6
178.82620	0.5
183.13908	2.7
184.14294	0.5
185.11937	0.6
197.11826	32.6
198.12207	1.7
199.13440	0.7
209.11818	37.8
210.12061	2.6
211.13376	0.7
223.09773	1.6
227.12895	3.4
235.08159	0.5
241.11110	0.6
253.09190	3.7
301.16455	1.1
391.40094	0.6
410.97238	0.6
459.18979	0.6
562.23914	0.6
606.95605	0.5
687.32306	29.4
688.32703	6.4
701.30170	0.8
719.34930	25.3
720.35266	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	717.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49049	0.6
55.70058	0.7
56.25169	0.6
57.03448	1.2
59.01380	6.3
64.38212	0.7
69.03421	0.7
69.65330	0.7
70.08556	0.7
70.43745	0.8
70.91810	0.6
70.92140	1.2
71.01371	5.1
71.05004	2.4
73.02939	1.0
78.37444	0.6
82.17966	0.7
85.02943	2.2
87.00871	1.0
89.02448	2.1
97.02941	3.1
97.06583	2.1
99.00878	11.6
101.02443	4.5
111.24572	0.7
113.02431	1.8
119.03488	1.0
123.08138	1.8
125.09719	6.1
135.08199	0.8
142.02740	1.0
153.12753	0.7
161.04562	1.1
163.11299	7.4
171.10291	3.4
181.10852	0.8
181.12340	10.4
197.01195	0.6
197.11801	0.8
199.13394	9.9
200.13771	0.8
201.11414	0.9
207.08339	1.5
207.10265	22.2
208.10625	1.5
225.11324	35.6
226.11659	3.1
235.08183	3.0
243.12428	5.6
253.09282	3.7
255.23289	79.9
256.23581	6.7
293.21307	0.8
443.19305	1.7
461.20471	2.0
461.49692	0.9
479.21701	0.9
584.37402	0.8
617.32275	0.8
699.43219	5.3
717.44275	100.0
718.31818	1.5
718.44604	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78145	0.2
59.01370	0.3
59.48110	0.2
61.98829	100.0
67.69702	0.2
71.01357	0.2
76.98131	0.2
78.95905	0.3
87.16392	0.2
91.69112	0.2
146.18111	0.2
169.12381	0.4
171.08954	0.2
171.10220	1.1
183.13963	0.3
199.13449	0.3
209.11855	1.5
210.12206	0.4
211.13362	1.0
212.13805	0.7
227.12946	0.4
232.47581	0.2
253.09221	0.5
376.38953	0.2
427.78088	0.2
687.34332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.2
61.98829	100.0
87.32787	0.2
89.02415	0.2
171.10303	0.4
183.13824	0.2
209.11818	0.9
210.12115	0.4
211.13374	1.1
212.13756	0.4
235.08345	0.2
237.14931	0.2
253.09390	0.2
255.23399	0.3
256.18140	0.2
352.87659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59674	0.4
69.71400	2.0
71.01385	1.7
73.02936	0.4
81.03455	0.8
85.02946	1.9
93.03426	0.6
95.01392	1.4
99.50150	0.4
101.02446	0.6
107.93085	0.5
108.02168	55.0
109.02967	18.1
110.03260	0.6
113.02451	0.6
121.02923	1.0
123.00889	0.5
123.04529	0.8
150.16940	0.5
151.03992	1.0
152.01143	49.1
153.01935	18.4
154.02187	0.9
163.03981	1.2
165.01883	1.2
195.02957	0.4
199.02432	0.5
230.36746	0.4
272.21954	0.5
275.13782	0.5
315.07199	100.0
316.07526	8.5
405.66782	0.4
584.29333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26654	0.5
52.03761	0.6
57.03446	1.4
59.01382	4.3
61.98829	40.0
62.44164	0.5
67.72995	0.6
69.03465	0.7
70.91965	0.5
71.01379	5.3
71.51018	0.7
72.99313	0.9
73.02940	1.6
75.00857	1.1
75.50419	0.5
77.59467	0.5
79.82626	0.6
83.01382	0.7
83.05033	1.1
85.02953	6.6
87.00890	0.8
88.98804	2.3
89.02451	2.9
96.95972	0.9
97.02942	1.6
97.06612	0.9
101.02451	4.9
113.02454	2.4
119.03497	1.0
125.02466	1.3
125.09700	1.2
127.11284	2.8
137.09715	2.0
143.93378	0.6
145.05112	0.7
153.09117	0.9
155.10796	0.6
157.05133	0.6
161.04576	1.6
171.10265	100.0
172.10561	3.4
183.13889	2.4
185.11891	0.7
187.21306	0.7
193.12303	0.7
199.13347	1.1
201.11456	1.1
208.10187	0.6
209.11867	3.3
211.13391	10.0
212.13603	0.6
221.11896	1.2
227.12923	1.6
229.14412	5.1
235.08188	8.8
239.12854	1.1
253.09271	17.9
254.09755	0.8
255.23236	0.8
291.19601	3.1
291.91489	0.6
309.20651	9.2
310.21054	1.3
327.21741	49.9
328.21982	5.1
407.19254	2.0
481.31842	1.4
536.09106	0.6
545.29663	2.2
563.30646	2.9
655.30267	1.0
717.36627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05455	0.7
54.77851	0.7
59.01365	1.7
61.98829	27.2
65.03924	0.9
71.01369	2.2
71.52202	0.8
73.02927	1.0
81.03469	1.8
83.05022	4.1
85.02973	1.1
88.98773	1.9
89.02431	2.3
93.02853	1.8
93.03453	32.6
95.01398	1.1
99.00869	2.4
101.02448	1.3
109.02945	2.0
111.04517	11.9
112.04794	1.0
113.02419	1.6
117.03456	4.0
119.05023	94.2
120.05360	4.0
121.02910	1.0
123.04518	1.3
125.02432	6.4
129.01909	1.0
137.02441	57.0
138.02763	2.1
145.02953	14.4
149.04620	1.7
151.00438	1.1
151.04022	1.0
155.03496	24.1
159.48184	0.8
161.02480	1.0
163.03998	100.0
164.04340	4.0
169.01433	2.0
187.03876	1.3
191.05556	1.0
195.41708	0.8
198.04767	0.8
209.11763	1.0
213.09245	1.5
232.13481	0.8
269.04581	1.7
274.18448	1.0
285.03998	0.8
287.05090	1.0
289.07068	1.6
301.07181	6.3
319.08200	55.5
320.08606	6.3
353.41400	0.8
373.26205	0.9
375.02292	0.8
375.27280	1.3
415.16022	2.0
535.18176	3.2
717.23187	3.9
718.22937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91421	1.1
59.01377	100.0
59.54548	1.0
59.84556	1.4
61.98830	9.1
70.70727	0.9
71.54344	1.1
78.95901	2.9
81.68120	1.0
84.91512	1.1
106.39944	1.1
151.22241	1.2
160.62756	1.0
171.10207	2.0
205.77454	1.2
211.13385	1.1
223.13420	1.9
255.23355	9.2
275.20264	1.2
293.21286	5.0
311.22321	1.4
453.11679	1.3
457.19061	2.0
459.16672	2.5
467.12808	1.7
481.11539	3.4
481.28851	1.2
482.11938	1.5
495.17477	1.5
496.13751	16.9
497.14328	9.8
498.15567	2.8
510.15662	4.8
511.16193	9.6
512.16840	3.4
513.17645	4.5
530.14374	1.5
538.14899	1.7
539.19427	3.4
542.13824	1.2
544.16138	5.9
545.16498	2.6
567.18939	10.2
568.19128	3.8
570.17316	2.4
571.18195	12.3
572.18500	4.2
583.18213	1.5
589.19812	1.3
597.19910	3.2
598.20569	3.2
599.11920	2.5
599.21503	41.2
600.21582	10.0
602.16522	4.6
630.19586	2.5
631.21088	1.3
657.21802	19.0
658.22040	5.9
700.83319	1.3
717.24146	78.4
718.24396	24.2
747.56696	1.1
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
50.18769	0.9
56.25059	0.9
57.03438	2.0
57.50114	0.8
59.01379	5.8
59.47360	0.9
61.98831	6.4
71.01391	6.8
71.05023	2.7
71.50039	1.3
73.02964	1.1
78.95893	1.9
83.01353	1.1
85.02949	2.1
85.83492	1.1
86.53870	0.8
87.00878	1.4
89.02451	3.4
93.25950	0.9
97.02946	2.6
97.06557	2.0
99.00876	11.6
101.02428	3.6
109.06572	2.2
113.02452	1.8
123.08141	1.7
125.09737	5.6
127.11299	1.7
143.10765	1.3
161.04453	1.5
161.09787	1.2
163.11288	6.2
171.10205	5.8
171.94797	0.8
181.12349	11.0
197.11946	1.4
199.13387	12.9
201.11270	1.6
207.10268	25.1
208.10590	1.0
225.11317	37.0
226.11649	3.2
235.08142	2.8
243.12399	7.7
253.09335	5.2
253.21718	90.6
254.22000	8.1
255.23248	3.0
293.20905	1.3
369.55563	1.0
382.65494	1.1
443.19376	1.6
461.20288	3.2
479.21164	1.6
697.41718	4.6
698.41467	1.4
715.42761	100.0
716.42944	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	716.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33054	0.1
59.01381	0.8
61.98829	100.0
62.98541	0.2
63.50945	0.1
64.75182	0.1
71.01394	0.3
71.50423	0.2
78.95897	0.2
101.02456	0.2
121.68354	0.2
123.15519	0.1
147.60143	0.1
148.10112	0.1
162.04839	0.2
165.83273	0.1
171.10280	2.8
172.10603	1.1
183.13911	0.4
187.09744	0.1
209.11838	0.6
210.12198	0.2
211.13390	0.4
212.13870	0.2
218.32693	0.1
223.09995	0.1
223.13437	0.2
239.16585	0.5
253.09265	0.2
255.23218	0.3
286.62140	0.1
289.18201	0.5
290.18402	0.4
295.22989	0.2
307.19226	0.4
308.19620	0.2
442.22922	0.1
685.37823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.55048	0.1
65.79629	0.2
69.89830	0.7
71.01385	0.2
73.96004	0.2
78.95918	0.3
157.65810	0.2
233.47238	0.2
251.68733	0.2
255.23361	0.8
293.21182	0.4
528.79840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73319	0.5
59.06469	0.5
61.98829	100.0
72.73384	0.5
90.32113	0.5
98.20717	0.9
108.38586	0.5
122.22464	0.5
171.89896	0.5
198.34311	0.6
255.23332	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	715.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74961	0.8
57.03445	7.0
58.74152	0.9
59.01371	6.3
61.98835	8.2
65.34586	0.8
69.03448	1.8
69.16790	7.6
71.01384	7.7
72.99293	1.1
73.02936	2.2
78.95877	0.8
83.01402	0.9
83.05024	1.0
85.02953	1.6
87.00845	1.5
89.02444	2.6
95.05013	1.8
97.02943	2.0
97.06586	18.3
101.02440	5.5
111.08147	2.1
113.02412	2.7
123.08178	8.8
125.02449	1.5
125.09721	100.0
126.10016	3.8
145.05080	1.0
161.04491	1.1
163.11339	1.4
165.12849	1.6
169.08659	2.1
171.10283	9.1
179.05658	1.0
183.13817	1.0
185.11847	1.0
187.09758	53.6
188.10062	2.2
197.11809	10.7
199.13365	1.1
207.10284	1.4
209.11737	4.5
211.13341	3.6
223.13382	1.7
225.11282	1.3
227.12921	2.1
235.08189	2.8
253.09224	4.6
255.23383	1.5
260.65814	0.9
291.19608	6.7
309.20798	8.0
310.21033	1.5
405.17502	5.3
423.18686	10.0
424.19266	1.2
503.29596	0.9
708.30457	1.1
715.39038	93.8
716.39429	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	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30630	0.5
55.01895	0.5
57.03456	1.3
59.01381	5.3
66.50336	0.4
69.03455	5.3
71.01378	5.4
71.05011	1.3
73.02956	1.7
82.56176	0.4
83.01385	0.6
85.02954	1.6
87.00869	1.5
89.02429	2.4
95.01380	0.6
97.02957	1.0
97.06580	0.6
98.20654	1.1
101.02437	3.3
102.32137	0.5
113.02437	2.0
115.81047	0.5
119.03487	0.7
123.08234	1.1
125.09727	2.0
137.09732	1.0
149.09695	0.6
151.11278	3.0
153.12849	1.2
161.04572	1.1
161.09738	4.3
179.10762	8.8
197.11819	45.9
198.12149	2.6
204.39709	0.5
223.09709	1.4
235.08237	1.1
241.10773	2.0
253.09352	3.2
255.23286	88.7
256.23663	7.6
266.96289	0.5
293.21347	0.7
459.18613	0.8
477.19785	0.8
692.49756	0.5
715.42694	100.0
716.42987	24.3
716.55878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39162	1.3
59.01374	2.1
61.98816	3.8
63.25352	1.2
71.04980	1.5
73.43959	1.4
78.01521	1.4
78.95903	45.4
79.95726	1.9
83.05006	1.8
91.43370	1.5
103.07748	1.4
109.06580	13.1
110.98528	30.2
111.04514	3.6
111.08132	5.2
114.32873	1.6
123.08173	1.5
125.09711	1.8
127.07663	3.7
128.55049	1.4
137.09715	2.9
152.99515	2.9
167.01164	19.8
167.10774	3.0
171.10294	1.5
185.02199	3.9
195.13889	2.3
197.11835	23.9
199.13422	1.7
211.13361	3.5
223.13155	1.3
245.18948	4.2
253.21736	26.9
254.22035	3.0
255.23279	86.5
256.23520	7.0
279.23273	3.8
281.24643	5.6
282.25302	1.7
287.16577	1.6
289.18076	86.1
290.18320	7.2
291.19717	9.6
292.20041	2.0
307.19156	12.0
309.20728	19.2
310.21133	1.8
405.24622	1.8
423.25125	10.2
457.19962	2.7
475.20956	2.6
477.22568	100.0
478.22787	12.0
713.43842	61.5
714.44037	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	713.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.8
61.98810	4.6
71.01374	4.7
71.49937	1.8
73.99714	1.2
87.00869	1.7
89.02425	3.7
97.06612	1.5
101.02430	4.7
104.39698	1.4
111.08088	1.7
113.02453	2.3
119.03448	2.4
125.02486	1.5
165.12833	8.3
183.13899	77.6
184.14243	5.3
209.11800	3.4
221.11816	2.4
227.12877	5.4
235.08145	4.3
241.08853	1.4
253.09209	4.6
255.23193	3.3
267.23273	100.0
268.23563	9.6
463.21826	3.1
579.98126	1.7
713.44769	75.5
714.45111	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	713.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25525	0.4
69.18629	4.9
81.03435	0.6
83.05030	0.8
277.33392	0.5
282.64169	0.6
479.61420	0.5
677.49506	3.6
713.47321	100.0
714.47614	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	714.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73214	1.1
52.79781	1.0
57.03435	2.4
58.74222	1.5
62.00247	1.1
65.00323	17.0
69.61709	8.3
72.21788	1.1
83.01373	6.7
87.55275	1.1
95.28577	1.3
98.19984	2.3
105.03457	1.6
107.01385	25.3
109.02966	1.8
114.01993	1.7
114.02714	1.2
114.50774	1.2
123.04491	8.1
124.01665	2.8
125.02445	28.3
133.02917	3.4
135.04504	3.7
149.02377	2.6
150.03217	13.6
151.00360	100.0
151.03966	18.4
152.01151	16.3
153.01810	2.4
175.03998	5.5
177.01910	5.3
178.99829	16.1
189.05547	1.6
199.03923	3.3
204.59061	1.3
213.05569	1.6
217.05038	2.7
219.02888	1.4
231.06609	1.3
241.05128	2.7
257.04462	2.4
259.80615	1.2
275.05698	1.6
285.04019	53.4
286.04327	4.3
297.09753	1.6
302.04227	1.6
303.05066	31.6
304.05301	2.7
323.07498	2.1
324.02194	1.1
334.57599	1.2
449.10870	44.0
450.11288	6.0
637.70813	1.4
652.95813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60936	1.5
51.54360	1.7
57.03439	2.2
58.00604	1.7
59.01105	2.4
59.01383	32.0
61.98830	19.0
69.03458	2.1
70.68081	2.4
70.68414	3.2
71.01385	26.0
72.99296	4.0
73.02950	4.1
78.95895	2.3
83.01377	3.6
85.02956	5.2
87.00874	5.8
89.02444	28.1
97.02946	4.9
101.02435	18.8
113.02461	10.9
119.03487	8.1
125.02464	13.7
125.09689	10.0
143.03479	3.4
152.99533	2.1
161.04568	7.2
171.10190	5.4
179.05597	5.1
185.11787	3.8
195.13896	2.9
197.11777	1.5
199.13406	6.8
201.11336	26.1
235.08282	10.4
253.09352	13.3
255.23280	73.2
256.23654	8.3
277.21741	2.2
287.07776	3.8
293.21301	22.3
294.21536	2.0
295.22681	7.3
305.08630	4.4
323.21954	2.5
397.13495	100.0
398.14029	9.1
405.17572	2.4
415.14594	28.4
653.37634	4.6
717.08661	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	713.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.18928	0.7
57.03451	0.9
59.01376	7.4
60.54159	0.7
61.98816	1.1
69.03448	4.3
71.01382	4.0
73.02939	1.5
85.02949	1.7
87.00910	1.5
89.02448	3.6
97.02969	0.8
101.02445	4.6
113.02435	2.8
119.03471	0.9
125.09731	2.1
139.07674	0.9
142.61620	0.7
151.11252	2.8
153.12788	0.8
155.41431	0.7
157.08702	15.0
161.09717	4.2
166.07104	0.7
179.10764	7.9
197.11816	44.1
198.12041	2.0
205.08577	0.7
207.86861	0.8
209.11926	0.9
223.09776	1.4
229.91394	0.7
235.08333	1.6
241.10751	2.1
253.09369	3.8
253.21709	74.0
254.21985	6.5
255.23328	1.0
267.23163	1.1
272.90942	0.7
277.21704	8.1
459.18466	1.0
477.19604	2.2
713.41132	100.0
714.41364	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82818	0.8
57.03436	1.3
59.01376	18.4
61.98827	4.5
62.71168	0.6
63.91392	0.8
69.03440	2.8
71.01373	5.3
73.02937	1.0
78.95892	0.9
85.02942	1.6
87.00857	0.6
89.02435	3.2
94.81236	0.7
98.54404	0.7
101.02476	3.8
101.03031	0.8
113.02419	2.1
115.85872	0.6
118.54253	0.8
125.09719	2.5
129.35144	0.7
143.03598	0.8
161.04567	1.6
167.10808	3.4
167.14461	1.0
171.10184	1.9
179.05534	0.8
179.14365	2.6
183.13904	5.6
185.11824	4.0
187.09691	1.1
193.12309	2.0
195.13878	6.7
199.09737	2.2
201.11345	10.3
205.12300	9.2
211.13387	100.0
212.13739	6.4
223.13385	79.3
223.31628	0.8
224.13707	5.8
235.08159	4.5
247.13170	0.9
253.09244	10.2
293.21210	6.3
294.21451	1.7
295.22571	1.5
309.20670	1.6
381.25784	0.7
399.25031	1.1
417.26431	1.2
441.21326	1.9
447.22467	7.1
448.22620	1.5
459.22275	10.6
460.22702	1.9
527.18030	0.8
615.30908	1.0
635.34338	3.1
653.35809	1.9
713.37805	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	710.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35186	0.2
59.01368	0.2
61.98832	100.0
62.98559	0.3
69.89902	0.5
69.90293	0.5
71.01387	0.4
78.95913	0.4
78.98605	0.6
79.95747	0.8
80.96521	5.3
82.96107	0.3
85.02993	0.2
94.98092	1.3
102.53364	0.2
103.84003	0.2
106.98103	0.2
110.63100	0.2
134.97623	0.4
138.61086	0.2
148.99171	0.3
152.98607	0.3
164.98616	0.4
197.45421	0.2
204.78795	0.2
225.00812	0.9
245.05658	0.2
255.23405	0.2
279.23358	0.9
280.23611	0.5
710.38684	6.5
710.50269	0.4
711.38721	1.7
740.35217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
59.01383	24.4
61.98832	39.3
71.01378	20.8
73.02950	8.2
74.49339	2.9
83.05016	3.2
83.92728	2.6
85.02925	4.2
87.00880	3.8
89.02435	15.4
97.02940	4.1
99.00910	3.3
101.02419	12.5
112.36259	2.7
113.02441	10.6
119.03502	5.4
125.02435	6.3
125.06032	3.1
125.09706	5.8
151.07587	3.2
155.10760	5.3
161.04471	4.8
171.10291	24.3
181.08702	6.2
183.13895	9.0
185.11876	3.9
193.51051	3.8
195.13895	8.9
197.11893	7.1
197.45107	2.8
199.09752	100.0
200.10155	5.3
201.11275	8.2
209.11739	11.3
210.12305	4.4
211.13364	9.1
213.95250	2.7
223.13278	4.2
227.12842	5.3
235.08133	9.2
253.09250	29.6
275.20163	5.1
277.21741	22.5
291.19299	3.4
293.21213	78.2
294.21475	9.1
397.13486	45.1
398.13837	5.2
415.14828	18.6
427.88022	3.2
435.13199	3.2
435.18533	19.0
457.29440	4.4
711.31689	8.3
711.39581	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	712.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79278	0.1
59.01368	0.3
61.98829	100.0
62.98557	0.2
67.00982	0.1
69.93859	0.7
71.01403	0.2
93.49902	0.1
96.96018	0.3
98.19966	0.2
115.91654	0.1
119.05054	0.2
125.02405	0.2
137.02498	0.1
151.03996	0.2
171.10376	0.2
188.55748	0.1
209.11864	0.4
211.13432	0.3
547.56598	0.1
657.01398	0.1
712.32922	0.2
713.34015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	1.0
57.03442	11.9
59.01376	3.4
59.08802	0.7
61.98814	1.4
62.33047	0.8
68.40103	0.9
69.03455	1.1
71.01344	1.4
71.37164	0.7
71.52139	1.2
72.99301	1.3
81.03473	2.2
83.01386	5.4
85.02946	1.5
91.14140	0.8
91.56940	1.0
93.03429	2.5
95.01406	2.0
95.05037	1.9
96.95970	0.9
97.02958	4.8
105.03417	0.9
105.77492	0.7
107.05067	1.6
108.02161	2.0
109.02941	20.8
110.03323	0.9
111.00907	1.2
119.05042	1.3
121.02932	4.1
122.03767	1.1
123.00886	2.0
123.04523	14.0
124.01614	1.2
125.02442	100.0
126.02769	4.8
132.08514	0.9
133.02916	4.3
134.03725	1.1
135.04521	2.6
137.02435	25.3
138.02808	0.8
139.04007	3.3
145.02943	7.9
146.03645	1.4
149.02405	5.7
150.03143	0.9
151.04005	12.3
153.01889	2.7
159.04521	6.6
160.05225	1.1
161.02440	14.3
161.04814	0.8
161.06046	6.4
162.02826	1.3
163.00346	2.7
163.04028	4.4
164.01147	9.1
165.01912	7.0
167.03491	1.5
169.01418	18.8
173.06126	0.9
174.03175	1.1
175.03972	9.1
175.07620	1.4
177.01898	8.8
179.03473	5.9
185.06035	3.8
187.04001	6.7
188.04738	2.6
193.01384	1.0
193.05110	2.1
199.04008	1.8
199.07611	1.5
200.04779	0.8
201.01750	1.2
201.05495	2.4
202.06288	1.0
203.03456	1.4
203.07111	11.6
205.01340	3.4
205.05110	6.0
211.03932	2.2
212.04552	1.4
213.05484	0.9
217.04976	2.9
217.08524	0.8
219.03032	1.7
221.08176	2.8
225.05577	1.0
227.03458	2.3
227.07143	3.2
229.05130	3.8
231.02859	1.0
241.05185	1.2
243.02931	6.4
243.06606	1.5
245.04399	3.2
245.08142	15.1
247.06319	1.1
253.04984	4.3
255.02989	6.4
255.05316	1.0
256.03632	3.6
257.04364	1.6
267.03085	0.9
269.04483	2.1
271.06064	19.1
271.08838	1.4
272.06458	3.1
273.04254	1.2
273.07675	4.1
281.04398	2.0
283.02536	1.5
285.03976	2.7
287.05655	6.5
288.05917	1.2
289.07166	80.6
290.07532	7.2
297.03940	2.1
299.05551	1.8
303.05060	2.5
311.05399	1.1
324.18216	1.5
328.06067	1.1
329.06512	1.4
339.08688	1.4
377.70761	1.0
381.09946	1.8
387.20349	1.3
389.06644	4.0
390.07028	1.1
391.08206	1.5
407.07672	53.4
408.07968	7.5
409.09015	1.5
417.09698	1.6
425.08582	6.9
433.09091	2.6
435.10818	8.7
436.11166	1.2
441.08243	10.2
442.08456	1.2
451.10431	6.6
526.66302	0.9
543.13037	4.1
559.12079	1.4
560.11823	1.3
561.14294	8.1
562.13745	1.7
577.13776	5.1
578.13721	1.4
587.12000	3.6
680.25647	1.0
713.15308	4.9
713.28558	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	710.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.3
59.44026	0.9
61.84375	0.9
71.01376	9.1
75.00866	3.7
85.02939	3.4
88.04040	71.4
89.02456	1.1
91.05535	2.4
97.51094	1.1
113.02444	3.1
114.01984	5.6
115.00378	13.2
131.97195	1.1
132.03027	100.0
133.03343	2.0
135.04523	4.4
155.03206	1.1
206.08116	2.0
250.07187	84.0
251.07524	4.6
459.15112	17.7
460.16013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	5.4
64.06831	1.4
65.15377	1.3
71.51871	1.9
75.17287	1.3
77.87621	1.3
78.29617	1.3
102.05607	55.5
103.05942	1.6
109.02952	2.1
125.02440	2.8
128.03542	54.3
135.04518	4.4
146.04587	100.0
152.66277	1.3
174.70657	1.4
193.05011	1.8
206.08192	1.7
220.09865	2.1
251.33197	1.5
264.08759	80.9
265.09106	5.4
419.11493	1.8
449.12518	1.9
467.13260	3.2
683.19440	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	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90494	0.5
54.11753	0.6
55.15466	0.6
57.03440	2.2
58.00599	0.7
58.48063	0.6
59.01378	7.5
61.98829	1.0
71.01388	6.1
73.02943	1.3
78.95884	5.7
80.30393	0.7
83.01378	1.2
83.05011	0.9
85.02969	0.8
87.00877	0.8
89.02436	3.3
91.81932	0.7
95.05042	1.1
96.96992	0.6
97.06607	3.0
101.02437	4.8
113.02444	2.2
113.06488	0.6
119.03519	1.1
125.09710	0.7
130.56583	0.6
151.11281	15.2
151.12491	0.9
152.99559	6.9
161.04579	1.2
169.12335	100.0
170.12704	4.6
171.00687	0.7
171.10211	0.7
186.16414	0.6
195.10275	3.3
201.11298	6.4
209.11830	6.1
213.11324	12.5
225.56694	0.7
227.12917	0.8
235.08206	1.7
253.09312	3.8
253.21690	1.1
255.23291	1.5
277.21716	24.5
278.22040	2.6
279.23169	0.8
380.30911	0.7
431.19247	3.1
449.20267	8.9
450.20407	1.2
453.14999	0.8
455.16873	1.0
473.17859	4.1
474.18176	0.8
691.38977	1.2
709.41510	98.3
710.41754	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38474	0.3
59.01379	5.2
61.98820	2.1
67.96826	0.3
69.03434	0.8
71.01379	3.0
73.02947	0.6
77.83887	0.3
78.95905	1.0
83.01397	0.4
83.05013	0.7
85.02957	0.6
87.00868	0.6
89.02450	2.2
89.63174	0.3
94.62607	0.3
95.05058	0.3
97.06561	0.5
98.20739	0.7
101.02438	3.0
111.00819	0.3
113.02454	1.3
119.03502	0.6
125.11411	0.3
152.99553	0.6
153.09215	0.4
153.12862	1.1
161.04539	1.5
169.12332	6.7
171.10135	0.4
179.05643	0.3
179.10747	1.0
185.11896	0.3
195.13907	4.5
196.14322	0.4
197.11826	100.0
198.12155	6.5
199.13322	0.6
205.12311	0.5
209.11790	0.6
211.13371	1.0
223.13371	3.4
228.13759	0.6
229.67017	0.3
235.08235	3.1
251.92090	0.3
253.09280	13.7
254.09628	0.6
256.13086	0.8
267.19690	0.3
275.20132	4.8
276.20514	0.4
279.23257	0.6
291.19641	0.7
293.21228	58.0
294.21558	5.7
388.59683	0.3
433.20721	4.1
473.32767	0.4
529.30127	0.8
579.05573	0.4
595.65936	0.3
684.55951	0.4
709.41174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96729	0.6
57.03448	1.7
59.01374	4.8
60.24437	0.7
61.98815	1.2
66.48856	0.6
67.30620	0.6
69.03441	0.6
71.01375	5.5
73.02932	1.2
78.95902	11.9
83.01366	0.9
83.05017	2.2
85.02926	1.2
87.00893	1.2
89.02427	2.0
92.71806	0.6
95.01373	0.7
95.05032	1.1
96.39732	0.5
96.96941	1.1
97.02978	0.6
97.06606	6.1
99.00867	0.6
101.02433	4.0
113.02435	1.8
119.03503	0.8
124.51034	0.6
127.11228	0.8
133.05061	0.7
143.03471	0.7
149.09731	1.1
151.11276	20.7
151.12495	1.0
152.99580	14.7
161.04543	1.4
161.10716	0.8
169.12334	50.4
170.12701	3.0
171.00626	1.5
171.10248	1.6
195.10223	3.6
196.10561	0.7
201.11336	9.6
209.11812	13.0
210.12088	0.9
213.11328	8.1
214.11687	0.9
225.11333	0.8
227.03172	0.7
227.12827	1.7
229.22676	0.7
235.08231	1.6
245.04393	0.8
253.09319	3.8
253.21695	2.3
255.23198	4.2
277.21710	56.5
278.22037	5.1
301.49054	0.7
381.13010	0.8
425.91147	0.7
431.18869	3.2
449.20053	3.5
455.16998	3.2
456.16519	0.7
471.38403	0.6
473.17993	10.2
474.18365	1.8
537.31891	0.7
567.47156	0.6
691.38672	2.6
709.41290	100.0
710.41663	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	709.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01378	32.6
61.98831	28.0
63.99256	0.8
69.32256	6.8
71.01385	9.2
72.99309	0.9
73.02964	0.8
80.02689	0.9
81.03447	1.7
83.01399	1.1
83.05026	3.7
84.02158	0.9
85.03003	0.9
87.00875	1.4
88.98824	1.4
89.02464	2.9
95.05023	0.8
96.95985	1.1
97.02945	1.0
97.06579	0.9
99.00885	1.3
101.02436	3.8
107.05061	1.0
109.02966	1.7
111.00867	1.1
113.02461	2.6
119.03477	1.1
120.34856	0.8
121.79037	0.8
123.04514	3.1
125.02450	5.1
125.09745	1.1
127.11276	2.0
135.11362	0.8
137.02437	2.4
145.02992	0.8
149.02437	0.8
151.00453	1.0
151.03964	1.1
151.11272	4.5
153.05582	2.1
161.02371	1.0
161.04555	2.0
163.11252	3.1
165.12830	2.1
166.07533	1.0
168.75253	0.8
169.01450	1.7
169.12337	31.9
170.12701	1.4
171.10271	76.7
171.55318	0.8
172.10605	3.8
181.12372	0.9
185.11705	1.5
193.05067	1.0
201.11316	2.2
202.11707	1.4
207.10265	1.7
209.11824	64.6
210.12119	6.3
211.12427	1.3
213.11266	2.8
225.11230	1.3
227.12991	6.1
231.12337	2.5
235.08145	1.3
245.08157	0.9
245.37120	0.8
253.09209	7.2
262.27264	0.8
265.77637	0.8
289.07132	4.4
373.25836	0.9
407.18848	0.9
449.20554	1.0
467.21228	1.9
659.32959	3.8
677.33838	100.0
678.23114	1.7
678.34125	19.7
691.35223	2.7
709.36548	16.5
710.36780	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	709.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
61.98830	28.5
63.24792	0.7
63.96235	1.4
69.77476	3.2
71.01376	8.5
73.02936	1.9
78.95910	1.4
78.98592	5.3
79.95734	11.4
80.96515	72.7
81.03439	1.0
85.02946	2.8
87.00864	2.2
94.98084	15.0
96.96002	1.6
97.02935	1.7
99.00897	0.6
101.02443	2.2
106.98101	3.4
113.02459	0.9
120.81841	0.6
122.97569	3.0
125.02445	2.9
126.69676	0.6
127.04037	0.9
134.97612	4.9
136.99158	1.5
148.99155	5.8
149.10599	0.6
152.98596	5.8
152.99574	0.7
164.98616	11.9
171.10191	1.8
206.99631	1.6
211.13411	0.7
225.00737	16.2
255.23177	3.2
279.23276	7.1
280.23566	0.7
281.24847	1.2
316.25433	0.7
453.14282	2.7
537.26843	0.9
586.44550	0.8
677.14258	0.7
709.38293	100.0
710.38599	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55720	0.5
59.01378	4.5
61.98841	2.4
64.63968	0.3
69.03451	0.4
71.01384	2.6
75.02193	0.3
78.95901	0.9
83.01356	0.4
83.05001	0.5
85.02928	0.6
89.02456	2.6
97.06609	0.4
98.20654	1.1
101.02444	3.1
111.68873	0.3
113.02448	1.8
119.03469	0.5
141.09193	0.5
143.03503	0.5
152.99562	0.8
153.09206	0.6
153.12837	1.2
161.04626	1.9
169.12340	6.0
171.10291	0.8
179.10693	1.0
195.13902	4.8
196.14397	0.4
197.11826	100.0
198.12158	6.0
199.13354	1.5
205.12334	0.8
209.11856	1.3
211.13374	1.7
223.13435	2.7
235.08211	3.4
253.09264	12.9
256.13248	0.7
263.38077	0.4
275.20093	4.5
276.20651	0.5
279.19592	1.0
279.23050	0.8
291.19647	1.4
293.21225	60.2
294.21536	6.4
327.21744	0.9
402.23508	0.4
433.20767	4.6
492.22104	0.5
529.30310	0.7
709.44415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68023	1.2
59.01376	19.7
61.98839	7.8
65.11691	1.1
69.03471	1.6
71.01373	8.6
72.99314	1.4
73.02947	4.4
73.03320	1.3
78.95902	5.9
81.03445	1.5
83.01395	1.8
83.05041	1.9
85.02943	2.3
87.00871	1.9
87.64130	1.2
89.02448	4.5
97.02985	1.4
97.06585	1.8
98.19908	2.2
101.02444	6.2
109.06578	5.9
113.02453	3.5
125.02518	1.5
125.09694	2.7
127.11256	1.5
135.08154	1.8
137.09697	1.8
152.99544	2.1
155.10735	2.2
161.04527	3.5
163.11281	5.0
165.12817	1.5
171.10263	11.4
181.08694	3.6
181.12279	1.6
183.13884	12.4
193.12318	1.8
197.11832	18.7
199.09755	52.4
201.11317	2.3
207.10254	17.4
208.10742	1.4
209.11781	8.1
211.13396	100.0
212.13704	7.0
225.11322	16.3
227.12852	3.5
235.08186	6.8
253.09279	14.0
293.21237	10.0
357.20609	2.3
372.83786	1.2
375.21811	5.9
391.24747	2.2
393.22760	1.6
401.23212	5.4
417.17822	2.5
435.18890	6.5
447.22256	4.9
461.20197	4.7
593.29974	6.2
609.32892	1.4
611.30328	4.3
629.32104	4.0
637.32367	5.5
638.32440	2.2
655.33649	6.4
656.33508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08587	0.9
59.01372	2.8
61.98826	27.9
66.91679	1.1
71.01386	4.2
71.06712	1.5
73.02941	1.1
78.95881	1.1
83.01383	1.2
83.05018	2.1
83.68371	0.9
89.02451	1.8
95.55306	0.8
96.87943	0.9
96.96059	1.2
97.02946	1.1
101.02431	2.7
104.17683	0.9
109.02872	0.8
121.02945	1.3
123.04491	1.8
125.02466	4.2
127.06252	0.8
137.02446	2.1
145.93985	1.0
159.70581	1.0
161.02521	1.2
161.04526	1.1
163.11290	1.6
165.01967	2.0
165.12860	1.7
169.01358	1.1
171.10234	3.2
185.11926	1.3
191.03531	1.0
199.13458	0.9
201.11281	1.1
209.11815	100.0
210.12152	6.2
211.13423	2.5
227.12881	28.2
228.13222	2.5
235.08189	3.2
253.09282	8.9
289.07159	3.5
310.07092	0.9
310.21152	1.5
316.70392	0.9
324.97604	0.9
424.33221	1.0
439.13361	0.8
445.20703	4.7
637.32227	2.7
655.32800	1.0
691.34644	1.4
709.31824	17.8
710.32050	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	709.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01149	2.7
59.01389	30.5
60.31195	2.8
61.98832	6.1
71.01385	11.3
71.50758	5.1
73.02944	4.8
78.95908	7.5
81.27122	2.6
85.02951	2.6
89.02428	4.5
101.02441	6.6
109.06590	7.1
113.02411	2.8
119.03501	4.1
125.02502	3.0
150.32263	3.1
152.99541	4.4
161.04536	3.1
171.10237	11.1
179.05676	3.2
181.08705	4.1
183.13887	12.7
185.12022	3.4
196.16768	3.0
197.11832	35.0
199.09749	37.4
207.10265	18.4
209.11891	5.2
211.13383	100.0
212.13675	7.3
225.11285	16.9
235.08214	7.2
253.09163	17.8
291.19693	3.5
293.21262	18.9
294.21500	3.0
350.78500	2.6
361.53586	2.6
375.21921	5.8
391.24832	2.6
401.23358	5.2
435.18591	7.3
447.22372	6.4
472.17639	3.2
540.93347	2.9
593.30353	4.1
611.30798	9.0
629.31281	5.6
630.32104	3.5
637.32458	5.7
655.33228	7.1
709.35822	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	709.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	53.3
61.98821	20.7
71.01381	17.5
73.02929	8.9
78.95904	9.1
89.02442	12.4
101.02441	9.1
111.88428	7.6
163.11183	9.1
165.12848	8.3
171.10254	12.1
179.05624	7.7
179.23251	6.9
183.13870	40.9
197.11835	100.0
199.09808	38.2
201.11295	12.8
203.61972	6.2
207.10323	29.9
209.11821	51.5
211.13371	74.8
215.12924	9.5
225.11359	25.4
227.12862	23.7
235.08173	10.5
253.09317	29.9
273.52795	6.8
293.21216	42.0
316.85822	6.6
356.11417	7.5
375.21664	12.6
435.18719	9.6
497.22662	7.8
611.30157	12.0
637.31738	10.4
655.33173	12.3
673.35229	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	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47693	4.1
54.86423	5.4
59.01389	36.4
61.98829	9.3
66.28181	4.1
71.01387	17.9
94.53145	4.2
96.38768	4.3
98.66873	4.7
101.02449	8.0
109.20695	4.7
126.63023	4.6
126.98280	4.8
138.41472	5.2
163.11259	9.4
171.10211	9.8
183.13881	48.2
197.11839	68.8
199.09770	25.8
207.10286	8.4
209.11758	31.1
211.13400	100.0
212.13724	5.4
225.11298	10.0
227.12874	13.7
228.98466	5.4
235.08209	8.7
253.09367	24.4
293.21313	44.4
375.21658	7.3
407.96704	5.0
463.21637	9.1
546.67902	5.2
611.30920	13.6
655.33545	8.0
673.33923	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	707.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
61.98826	1.3
62.22949	0.3
68.42319	0.3
71.01081	0.3
71.01390	2.4
71.50106	0.4
72.99314	0.4
73.02943	0.7
74.55563	0.3
77.64925	0.3
78.95901	3.3
83.05048	0.4
85.02962	0.5
87.00853	0.3
89.02443	1.8
99.00899	0.4
101.02450	1.8
109.88857	0.3
113.02463	0.7
119.03526	0.5
152.99580	3.8
155.10745	0.5
161.04543	0.9
165.12863	0.5
167.10753	0.4
172.46617	0.3
183.13901	6.4
193.12323	2.0
197.11752	0.6
207.10249	0.5
211.13382	100.0
212.13704	6.6
212.15622	0.6
225.11316	0.6
235.08200	1.5
253.09264	7.1
255.23244	0.7
256.23746	0.4
277.21704	55.3
278.22000	6.4
279.23190	0.4
429.21405	0.7
447.22318	3.1
448.22433	0.4
453.15155	0.5
471.16226	1.3
481.79196	0.4
707.37531	2.7
708.37952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98539	0.1
69.83416	0.4
69.83826	0.2
71.01403	0.2
78.95928	0.1
78.98618	0.1
79.95728	0.1
80.96504	1.1
81.69722	0.1
86.79621	0.1
94.98071	0.2
152.99632	0.1
164.46701	0.1
164.98637	0.3
211.13481	0.3
225.00845	0.3
255.23386	0.2
279.23389	0.6
312.05316	0.1
367.39624	0.1
519.93713	0.1
567.69348	0.1
709.38147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33192	0.2
61.98830	100.0
62.98528	0.3
71.01375	0.2
79.95745	0.2
80.96522	1.5
94.98098	0.3
95.83608	0.2
98.19881	0.4
120.17467	0.1
148.99138	0.2
152.99648	0.2
164.98607	0.2
225.00858	0.3
255.23328	0.3
279.23218	0.4
571.15350	0.1
709.38397	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	708.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29073	0.5
61.98831	100.0
69.99133	1.8
78.95930	1.3
79.95760	1.0
80.96528	3.1
94.98101	0.6
98.19922	0.7
134.97632	0.5
152.99655	1.0
211.13342	0.9
212.13701	0.6
255.23267	1.4
277.21741	0.7
279.23300	2.9
281.25015	0.7
631.24445	0.6
708.42609	0.7
709.38159	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	709.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.8
59.01379	23.6
61.98830	0.7
71.01378	5.6
72.99304	1.4
82.34739	0.5
83.01392	0.9
85.02926	1.3
89.02438	6.0
96.95992	3.6
97.97284	0.6
98.20651	1.3
98.93239	0.6
101.02428	3.8
102.05598	0.7
119.03490	0.9
125.02363	0.7
134.03761	7.0
145.07692	1.1
146.04706	1.0
149.06099	0.7
160.06419	6.6
161.07198	38.6
162.07494	1.5
173.78444	0.5
175.08763	25.6
176.09097	0.9
189.06683	67.5
190.07059	3.1
193.05061	10.7
203.08252	29.6
204.08568	1.6
225.11115	0.6
229.10120	0.8
277.69650	0.5
295.13010	0.8
305.11392	2.0
323.12448	100.0
324.12799	8.6
496.40170	0.8
573.09558	0.6
715.85590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20953	1.4
61.98830	33.6
63.96230	2.1
78.95908	34.5
79.95749	5.8
80.96521	2.9
96.96973	3.6
110.98521	2.6
117.27909	1.3
152.61658	1.2
152.99588	34.4
156.88383	1.1
167.14359	1.3
169.12277	1.1
171.00604	4.5
183.13901	8.3
211.13383	100.0
212.13768	6.3
227.03239	2.6
228.99162	1.4
253.21718	20.5
254.22076	2.0
255.23253	3.5
277.21713	4.0
279.23135	3.1
281.25009	1.5
379.14865	1.7
421.15982	1.6
439.17249	6.0
471.20013	73.4
472.20355	7.0
618.28314	1.2
675.39075	1.7
707.41150	26.2
708.41760	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	707.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42973	1.9
55.25247	1.5
55.52146	1.6
56.51871	1.5
57.03442	5.8
59.01376	38.9
60.01659	1.6
61.98827	18.1
68.99825	4.0
69.03451	5.4
71.01382	16.9
71.05025	1.6
73.02950	3.7
78.95892	2.1
83.05020	3.5
85.02943	7.6
85.06599	2.1
87.00845	3.1
89.02438	6.7
92.06077	1.6
93.03450	3.4
95.05018	2.8
97.06557	2.8
101.02429	8.7
106.04250	5.7
107.05031	6.6
109.06567	3.4
113.02446	5.3
119.03486	1.9
119.04962	1.6
125.15018	1.6
137.06148	1.5
138.03171	3.2
145.04964	2.4
149.09683	2.7
159.11818	2.6
161.04501	4.4
167.10742	5.0
171.10234	3.4
177.12846	21.1
179.05615	2.3
179.14371	5.1
195.13899	46.1
196.14023	2.7
197.11833	3.6
203.08968	2.8
203.10796	32.6
203.14352	2.9
205.12292	13.3
207.10220	1.8
221.11761	15.2
223.13380	100.0
224.13806	4.9
225.11177	1.8
229.12312	13.3
230.12668	2.8
235.08281	8.0
237.14943	32.9
247.13374	61.9
248.13687	5.1
253.09285	9.8
265.14557	10.6
277.21866	4.3
279.23203	2.5
293.21286	2.4
308.42050	1.8
309.20746	3.8
312.58676	1.9
354.50345	2.4
413.21500	2.3
415.14331	1.7
441.21265	3.6
457.20786	4.3
459.22330	6.1
465.21249	3.4
483.22275	13.2
501.23340	6.5
663.33636	5.0
689.35303	6.1
707.36420	66.6
708.37000	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	707.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52547	1.8
57.03442	3.4
58.00604	2.2
59.01374	12.7
61.98830	100.0
71.01378	13.4
71.05019	4.2
71.52545	2.7
72.91959	1.5
72.99314	2.9
73.02956	3.2
81.03447	3.3
83.01407	2.4
83.05049	3.6
85.02932	3.3
87.00847	2.1
88.98803	2.1
89.02438	8.1
93.03445	2.3
95.05030	1.8
96.95963	2.2
97.02945	6.0
97.06593	2.8
99.00890	22.8
101.02447	8.0
113.02431	4.5
119.04996	8.2
121.02948	4.4
122.03775	2.3
123.04527	14.1
123.08150	1.9
125.02444	36.3
125.09729	12.0
126.02714	2.0
127.11275	4.5
129.10333	3.1
135.04431	2.2
137.02441	3.5
141.31613	2.0
142.02707	1.8
147.04459	3.0
149.02519	2.2
150.03152	2.0
151.04012	2.5
153.05568	9.9
161.04591	2.9
161.65202	1.8
163.03998	7.9
163.11256	14.9
164.07199	2.5
165.01866	2.1
165.12794	2.7
169.01408	28.2
171.10223	19.2
171.11502	2.6
181.12355	25.5
182.12674	1.7
199.13411	23.9
201.11305	51.9
202.11641	3.2
205.04892	2.2
207.10245	38.1
209.11810	59.4
210.12213	3.9
225.11296	67.1
226.11642	6.4
227.12868	7.2
233.16483	3.9
235.08139	2.4
243.12373	25.7
253.09241	8.3
289.07196	4.9
302.96039	2.1
314.11591	2.5
319.16623	11.1
373.25916	2.5
439.12674	2.0
461.20245	6.5
479.21448	6.2
525.95471	2.1
645.30682	3.4
653.31714	2.3
663.32269	33.8
664.32770	8.4
671.33026	5.5
689.33832	87.8
690.34436	13.7
707.23535	13.7
707.34796	54.0
708.24286	2.5
708.35455	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	707.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20662	5.3
54.80207	4.9
55.05020	4.1
59.01373	20.4
60.52701	4.0
61.98827	83.0
70.70200	9.2
70.70567	8.7
71.00546	4.4
71.01378	34.8
83.01362	5.2
83.05050	6.9
87.00878	8.0
87.48219	4.2
88.98804	37.3
89.02446	7.3
92.14574	4.2
99.00886	8.7
101.02435	13.0
109.06559	5.4
113.02441	5.8
115.55400	4.2
123.04499	4.8
125.02441	15.5
125.09769	6.8
127.11371	5.5
149.02408	4.6
161.04533	6.9
163.11290	7.1
165.12868	13.0
169.12349	6.8
171.10291	53.1
181.12270	7.2
183.13908	69.2
185.11844	7.5
197.11920	6.5
199.09724	13.9
199.13335	11.7
201.11293	18.9
202.25273	5.0
207.10220	22.5
209.11810	100.0
210.12178	13.1
211.13564	24.9
225.11288	69.9
226.11754	6.2
227.12845	30.7
235.08223	10.2
243.12308	9.1
253.09271	18.0
268.18790	5.0
291.19431	5.3
301.65057	5.1
309.20734	12.8
375.52005	5.2
393.23074	7.7
393.80621	4.8
461.20114	25.5
462.20822	5.8
463.21667	5.7
617.31366	16.3
645.31158	16.2
653.31781	22.1
671.32489	30.8
675.33862	5.5
687.79016	4.9
689.33490	14.0
707.29846	37.0
708.31006	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28687	0.8
55.01880	0.8
57.03434	1.6
58.00586	1.4
59.01380	27.9
61.98829	15.3
67.01875	0.6
69.03458	2.3
71.01381	22.6
72.99299	1.9
73.02942	3.5
81.03432	1.1
81.90560	0.5
83.01389	1.9
83.05020	1.2
85.02959	4.8
85.75172	0.6
87.00877	3.3
88.98779	1.0
89.02443	22.0
91.97472	0.5
93.03460	0.7
95.01429	0.6
95.05043	0.8
97.02950	8.1
97.06577	1.1
99.00893	1.6
101.02441	14.2
105.98753	0.6
109.06574	1.5
111.00835	0.6
111.08138	5.3
113.02443	8.1
118.68706	0.6
119.03482	5.6
123.04532	1.0
123.22781	0.6
125.02447	5.2
125.09705	1.2
127.01102	0.6
127.07597	0.6
131.03465	0.8
137.02415	1.0
137.09689	1.3
143.03494	3.0
153.12846	0.8
161.04530	3.4
163.11246	2.4
165.01822	1.0
165.12854	2.9
169.12389	3.1
171.10262	5.7
179.05597	4.6
181.12323	2.6
183.13954	2.9
185.11800	1.1
186.16945	0.7
193.12411	0.9
197.11823	28.4
198.12143	1.7
199.06351	0.6
199.13400	2.4
201.11240	1.5
207.10274	2.2
209.11801	7.3
210.12106	2.0
211.13509	4.9
221.06738	0.8
223.13223	0.8
225.11325	2.5
227.12990	3.0
235.08244	6.4
243.12352	1.2
244.12622	0.7
247.20641	2.6
253.09270	2.6
263.07605	1.0
263.20230	1.4
273.18689	1.0
291.19638	31.1
292.20160	3.1
305.08823	1.0
309.20694	100.0
310.21033	9.3
323.09811	1.4
324.07202	0.7
348.86029	0.6
397.13483	31.2
398.13913	2.7
415.14548	34.5
416.14923	2.6
495.09259	0.7
644.29370	0.8
645.29321	1.3
671.33069	1.3
689.33875	3.1
707.35071	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	706.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.12325	0.4
71.12646	0.4
76.97938	0.2
78.95939	0.5
85.14733	0.3
139.72092	0.3
149.37285	0.3
174.25430	0.2
174.42929	0.3
193.39737	0.3
286.64828	0.3
330.13589	0.4
707.39600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06424	0.6
61.98829	100.0
70.15589	1.2
70.15979	1.3
78.95911	1.6
102.91775	0.6
152.99542	1.0
161.75520	0.6
211.13385	0.7
277.21811	1.8
278.22031	0.7
327.58566	0.6
345.10190	0.6
548.85651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60465	1.8
57.03446	2.9
57.41050	1.8
58.02964	7.6
59.01374	7.8
60.01666	1.5
61.98534	3.5
61.98830	47.5
65.00318	7.0
68.99825	2.4
69.17170	17.8
71.01369	10.1
71.22898	1.6
73.02920	2.6
74.02474	11.2
75.00905	2.0
80.02717	1.7
81.03484	2.2
83.01392	4.4
83.05051	2.7
85.02943	3.0
87.00893	2.1
88.98844	3.5
89.02431	3.8
93.03429	2.8
95.05080	2.1
96.96017	6.6
97.06588	1.7
98.20650	4.6
99.05623	8.1
101.02439	6.1
108.02166	3.4
109.02927	5.8
109.06547	3.0
113.02435	3.0
119.04972	2.1
121.02910	2.6
121.06625	9.6
123.04515	20.7
125.02470	29.3
127.11247	2.2
133.02991	3.9
134.03751	2.1
135.04506	6.2
137.02460	5.6
139.04025	2.9
143.04619	21.7
145.06586	11.8
149.02472	9.3
150.03235	28.1
151.00316	9.7
151.04024	39.9
152.01138	2.3
155.10796	2.0
156.90817	1.8
158.03685	2.6
161.02489	4.0
161.04547	1.8
161.09779	3.6
162.03224	2.4
163.07657	15.0
164.01175	2.4
165.01868	3.1
165.82951	2.0
169.01433	18.2
171.10271	34.5
172.10703	2.5
175.04013	9.1
175.07523	2.0
176.01215	2.8
177.01906	7.7
177.03392	29.4
187.07642	20.5
187.60757	2.2
189.05608	2.8
191.03407	2.0
199.04018	2.5
201.01868	4.6
201.11290	29.8
202.11662	2.5
203.03491	3.9
203.07141	4.0
204.07872	5.0
205.08710	25.2
207.10252	7.3
209.11832	41.7
210.12164	2.6
217.05107	2.6
225.11348	21.8
227.12871	6.4
231.06598	89.4
232.07243	18.0
233.08067	4.4
235.08177	4.0
237.07550	1.8
243.12302	2.3
249.11020	2.9
253.09290	7.3
259.06149	11.5
260.06808	6.5
285.03989	2.8
289.07190	8.2
297.09726	6.5
309.04062	3.2
323.08234	2.5
355.11740	3.4
365.10291	93.9
366.10443	9.6
382.10568	4.0
383.11365	62.7
384.11673	8.1
412.44699	2.0
449.10986	3.8
461.20313	4.9
499.34933	1.9
529.17120	100.0
530.17407	18.2
588.82214	2.2
707.22931	4.9
707.34143	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	706.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98828	100.0
62.99254	0.2
69.37918	0.2
69.38329	1.0
71.01393	0.4
78.01575	0.1
87.00897	0.2
89.02459	0.2
97.02946	0.2
101.02453	0.3
109.02976	0.3
121.02936	0.2
123.04527	0.4
125.02446	0.6
137.02448	0.5
161.02490	0.2
161.06233	0.2
163.04050	0.2
165.01921	0.9
167.03500	0.2
171.10269	0.8
199.13437	0.2
201.11298	0.7
203.07164	0.3
205.05138	0.3
207.10217	0.2
209.11784	1.0
225.11359	0.6
226.11641	0.2
244.07373	0.1
253.09247	0.3
342.89355	0.2
491.22672	0.2
643.27637	6.5
644.27948	1.2
662.31824	0.3
671.38055	0.2
688.32434	0.3
689.33954	0.2
706.33795	0.3
707.23590	0.2
707.36060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98829	100.0
70.98178	0.5
71.01409	0.4
78.95907	2.0
87.41099	0.2
100.55211	0.2
119.73978	0.2
129.43954	0.2
129.47435	0.2
152.99582	1.8
171.00668	0.4
171.10294	0.4
197.11905	0.3
207.10208	0.4
211.13397	1.9
225.11398	0.5
239.21887	0.3
255.23276	0.6
277.21704	2.1
278.22198	0.4
362.12408	0.2
471.16660	1.0
502.96442	0.2
670.78741	0.2
689.36084	0.4
707.37872	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	706.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55626	0.3
57.03434	0.3
59.01378	2.0
61.98829	100.0
66.32459	0.3
71.01390	1.1
77.91315	0.3
83.01398	0.6
85.02969	0.6
89.02457	1.0
93.03455	0.3
95.01393	0.4
97.02943	0.6
101.02522	0.6
109.02956	1.6
113.02496	0.7
113.06089	0.5
119.05016	2.1
121.02991	0.8
122.03738	1.4
123.04536	0.6
124.01670	0.4
125.02470	1.2
129.05592	0.4
137.02441	4.5
149.02460	0.7
150.03227	0.4
151.00392	0.3
151.04024	0.7
157.05063	3.2
159.04469	0.4
161.02518	0.3
161.06143	0.8
163.04004	2.3
164.01210	0.8
165.01930	6.8
166.02361	0.4
171.10303	1.2
175.04028	0.5
177.02042	0.4
179.03510	0.8
201.05650	0.3
201.11330	0.4
203.07220	1.1
205.04996	1.5
205.16473	0.3
206.05467	0.3
209.11914	0.5
217.08667	0.3
225.11389	0.7
225.22795	0.4
231.06665	0.4
288.06482	0.7
289.07306	0.5
293.82104	0.3
321.09961	0.6
365.10226	0.3
383.11575	0.4
418.25705	0.3
419.22525	0.7
434.38205	0.3
479.23407	0.4
491.22971	0.4
529.17566	0.4
643.27557	33.8
644.27911	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	706.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01376	0.5
61.98830	100.0
62.98532	0.1
71.01388	0.4
83.01389	0.2
87.00890	0.3
88.98830	0.5
89.02448	0.2
97.02988	0.2
101.02472	0.4
109.02975	0.4
113.02424	0.2
114.06036	0.1
122.03741	0.2
123.04547	0.4
125.02446	0.6
137.02473	0.7
149.02490	0.2
151.04039	0.3
163.03868	0.1
163.11296	0.2
164.01213	0.2
165.01920	1.0
167.03523	0.2
169.01385	0.1
171.10272	0.7
181.12378	0.2
197.11836	0.2
199.13411	0.2
201.11369	0.8
203.07153	0.3
205.05144	0.2
207.10335	0.4
209.11772	0.8
225.11375	0.5
227.12900	0.2
243.12456	0.2
244.26282	0.1
253.09317	0.1
289.07233	0.2
320.49463	0.1
357.12326	0.1
643.27545	6.2
644.27875	1.2
671.35699	0.2
688.32745	0.3
689.33856	0.4
706.33160	0.6
707.35394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04543	0.5
56.49829	0.5
58.06132	0.4
59.01377	33.5
61.98821	2.7
71.01384	3.9
73.02937	1.4
78.95898	2.2
85.02968	0.8
87.00884	1.0
89.02447	1.8
97.06580	0.8
99.08193	0.5
101.02440	2.8
109.55111	0.5
113.02464	1.5
113.93294	0.5
125.09744	0.6
127.11256	1.0
133.05054	0.6
141.12965	0.8
151.11282	3.7
152.99603	1.9
161.04535	1.5
169.12334	22.9
170.12669	1.3
171.10268	36.7
172.10590	1.5
182.35963	0.5
213.11324	1.3
229.32246	0.5
231.12344	1.9
235.08195	2.1
243.97667	0.5
253.09183	4.0
255.23282	67.9
256.23590	5.9
277.21652	4.2
375.98788	0.6
449.20108	0.8
467.21021	0.8
469.14764	2.2
491.32111	0.9
632.98639	0.6
687.43201	4.8
705.44305	100.0
706.44604	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09979	0.3
58.05241	0.4
59.01379	20.8
61.98831	3.5
69.83482	1.7
71.01382	2.1
73.02947	0.5
87.00882	0.4
89.02447	1.5
96.36205	0.5
101.02437	1.0
105.54746	0.4
112.04026	0.4
113.02442	0.8
113.17976	0.4
125.09727	0.5
125.12891	0.3
127.11280	1.1
152.99699	0.4
153.09251	0.4
161.04568	0.7
171.10268	73.7
172.10576	3.5
235.08235	4.4
253.09308	5.7
254.09659	0.6
255.23283	100.0
256.23633	8.0
277.21634	1.9
356.68356	0.4
376.24142	0.4
383.82397	0.4
389.17978	0.4
407.18820	0.8
486.12448	0.4
491.32480	1.9
492.32562	0.7
534.89117	0.4
564.39459	0.4
705.45673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.55713	0.3
61.98830	100.0
65.85205	0.3
70.38379	0.3
71.01376	1.6
71.28399	0.6
83.01382	0.8
85.02953	0.6
87.00872	0.3
89.02445	1.3
95.01372	0.5
95.05074	0.4
97.02988	0.6
98.02358	0.3
101.02467	0.8
103.45164	0.4
106.62781	0.4
109.02962	1.9
121.02969	0.5
122.03735	1.6
123.04525	1.0
125.02457	1.5
137.02444	4.4
137.94798	0.3
139.04082	0.4
146.03770	0.4
149.02457	0.8
151.04015	1.0
154.02702	0.6
161.02534	0.5
161.06136	0.6
163.03769	0.4
164.01215	1.0
165.01947	7.4
165.03287	0.6
166.02290	0.5
171.10307	2.0
177.05537	0.4
179.03558	1.0
188.04695	0.5
197.11850	0.6
201.11340	1.8
203.07216	0.9
205.05093	2.3
209.11906	1.0
225.11383	0.7
289.07196	0.6
419.22360	0.9
491.22705	0.5
620.43323	0.4
627.06860	0.4
643.27551	34.5
644.27954	6.9
688.33020	0.5
706.34332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23321	0.8
59.01384	4.9
61.53222	1.0
61.98829	12.6
69.03487	1.0
69.24632	1.5
69.25044	6.9
71.01383	6.3
78.88156	0.9
83.05011	5.3
84.01643	0.8
84.02139	1.4
85.02935	1.7
87.00864	2.5
89.02445	2.5
95.05031	1.5
98.19952	1.8
101.02436	2.7
109.06573	1.9
113.02438	1.8
125.09679	1.5
137.02405	1.1
151.04103	0.9
159.10208	3.5
161.04596	1.5
163.11252	3.8
164.11612	0.8
165.12834	2.3
169.12299	4.5
171.10268	5.6
183.13797	1.4
191.10832	1.2
197.11795	4.5
199.09802	0.9
199.13353	2.2
201.11407	1.2
207.10219	3.0
209.11827	100.0
210.12183	5.9
215.12750	1.4
225.11420	4.9
227.12888	17.6
235.08295	2.7
253.09251	7.1
279.07349	1.0
307.19150	1.0
327.21780	1.4
445.20734	2.3
461.20746	1.1
673.31543	1.3
687.32086	5.1
705.33221	3.6
706.33728	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	705.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
60.26466	0.7
61.98827	15.3
65.99100	0.7
70.88567	1.6
71.01386	7.1
73.02942	1.6
74.68150	0.8
80.02684	2.2
80.71609	0.7
81.03471	2.3
83.01387	1.3
83.05027	6.8
84.02182	1.2
85.02951	2.1
87.00861	2.2
89.02432	4.6
97.02941	0.9
97.06490	0.7
97.75939	0.8
101.02443	7.3
111.08147	1.4
113.02451	3.1
119.03479	1.2
125.09708	0.8
140.54391	0.7
161.04456	1.4
163.11273	5.1
165.12837	11.1
181.12326	1.7
183.13892	92.0
184.14255	4.4
186.31422	0.7
191.10698	1.3
207.10303	1.0
209.11812	88.7
210.12189	7.6
211.13406	2.9
225.11307	1.6
227.12848	14.3
228.13228	1.4
235.08226	3.5
253.09340	6.5
344.44888	0.9
445.20609	2.4
463.21735	5.0
655.33295	2.4
658.90491	0.9
673.34363	100.0
674.34729	21.3
705.37115	6.9
706.37482	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	704.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37841	0.2
61.46025	0.2
61.98830	100.0
66.57919	0.2
70.79195	0.3
70.79555	0.6
77.16148	0.2
78.95924	1.1
95.04520	0.3
152.99588	0.5
176.58531	0.3
255.23416	0.5
277.21765	1.7
281.36218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
58.02974	7.1
59.01371	1.1
61.98825	0.6
70.02980	5.1
71.01407	0.5
71.51569	0.7
72.00912	2.3
72.04542	1.2
74.02473	37.6
74.63205	0.4
81.19341	0.4
93.03441	0.6
96.96026	0.4
97.02977	0.9
98.01877	0.8
98.02479	8.8
99.00888	0.5
99.02813	0.5
109.02941	1.7
113.02471	0.4
116.03541	12.1
116.05055	13.5
119.41629	0.4
121.02901	0.7
123.04525	1.3
125.02441	6.9
130.06599	1.3
135.04518	0.4
137.02481	2.1
137.97095	0.4
139.04012	0.5
142.06612	2.7
151.03986	1.3
152.01180	0.6
159.09282	3.3
161.06044	0.7
163.04066	0.9
164.01189	0.5
165.01825	0.6
175.04082	0.9
177.01950	1.2
179.03511	1.0
183.09290	0.6
186.05553	0.5
187.04048	0.5
201.10359	3.5
203.08266	41.0
204.08598	2.5
245.09294	100.0
246.09619	7.0
255.03082	0.6
289.07114	6.1
290.07285	0.8
295.50717	0.5
407.07712	2.1
415.15616	0.6
425.08566	0.6
516.88556	0.4
521.84308	0.5
579.18634	0.7
627.51556	0.5
673.15247	0.7
711.22217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
61.98830	100.0
62.98539	0.7
63.00423	0.5
71.01384	9.1
71.51206	0.9
71.51612	0.7
73.02928	1.1
78.43922	0.6
78.95923	0.7
80.96536	0.6
83.05046	1.0
87.00900	1.0
95.01430	0.7
96.96053	0.7
99.00914	0.8
101.02438	1.1
109.06614	1.7
125.02448	1.5
125.09720	0.6
144.02240	0.7
163.11343	1.0
169.12332	1.2
171.10297	4.8
181.12338	1.3
183.13937	0.9
185.11861	0.8
197.11897	1.8
198.12047	0.6
199.13455	2.6
201.11476	1.2
207.10313	4.8
209.11821	8.7
211.13411	6.5
223.13382	7.0
225.11351	7.3
227.12988	2.7
235.08267	1.2
238.08498	0.8
243.12433	1.6
253.09363	2.0
459.22476	1.9
461.20493	1.3
655.33441	0.9
673.34283	3.8
674.34412	0.7
705.33496	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	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03434	1.5
58.00021	0.7
58.00571	1.0
59.01381	7.2
61.98829	86.0
63.51609	0.7
69.03459	2.3
69.29469	2.6
69.29897	4.2
69.82802	0.7
71.01364	7.4
71.05015	3.5
71.36652	0.7
72.99274	0.9
73.02940	1.7
81.03462	1.0
81.21478	0.7
83.05014	2.3
85.02952	2.1
87.00871	5.3
87.01308	0.7
89.02454	4.9
95.01349	0.9
95.05006	1.4
96.95982	1.8
97.02938	3.6
97.06577	2.8
98.00570	0.7
99.00262	1.4
99.00881	23.1
101.02413	4.9
108.16169	0.8
109.02924	0.9
109.06619	1.1
113.02441	2.2
119.03487	0.9
123.04478	1.3
123.08160	2.4
125.02428	2.9
125.09704	7.7
127.11259	2.0
132.05490	0.7
132.28450	0.7
135.08104	1.5
137.02443	3.2
142.02637	1.2
153.12737	0.9
161.02461	0.9
161.04529	1.9
161.05783	0.9
161.09715	1.7
163.11269	10.8
165.01881	1.8
165.05461	0.8
165.09151	1.1
171.10254	8.0
179.10747	2.4
181.12349	16.2
182.12703	1.2
191.10725	0.9
197.11806	19.1
198.12108	1.2
199.13382	11.8
201.11272	10.2
202.11560	0.8
207.10243	28.6
208.10626	1.8
209.11792	14.0
210.12161	1.1
215.12834	2.4
225.11310	45.3
226.11627	2.7
227.12888	2.3
243.12347	25.0
244.12746	1.0
249.91507	0.8
253.09244	2.5
289.07068	2.0
307.18896	0.9
398.90082	1.0
461.20001	2.5
479.21320	10.9
480.22098	1.3
615.44421	1.1
643.27429	8.6
661.30493	6.2
662.30475	0.9
677.53845	0.9
687.32288	17.9
688.32324	3.2
705.33289	100.0
706.33533	19.4
706.45776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
69.41376	6.5
70.02979	1.2
71.01382	5.6
71.47648	0.7
88.04037	71.6
88.07560	0.8
88.94837	0.7
91.05521	3.3
111.08286	0.8
114.01973	4.9
115.00378	13.9
123.00904	2.7
124.01659	2.6
125.02435	6.6
128.34657	0.8
132.03026	100.0
133.03363	3.0
134.06198	1.0
135.04515	5.2
139.04008	1.0
145.67517	0.8
151.00359	1.5
153.16649	0.8
168.00604	0.9
169.01405	8.4
206.08156	1.7
250.07188	81.9
251.07498	5.5
261.66684	0.8
313.05640	2.7
453.10324	28.0
454.10733	3.3
501.57959	1.0
715.76306	0.9
722.49695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80391	0.1
59.01377	1.6
61.98830	100.0
62.98536	0.2
68.49783	0.1
68.59481	0.1
69.17727	0.1
72.75941	0.1
80.98064	0.1
94.38350	0.1
98.19840	0.2
125.48565	0.1
227.65193	0.1
237.11040	0.1
292.53201	0.1
404.04620	0.1
482.15833	0.2
483.15994	0.1
484.15674	0.3
498.17230	0.2
543.17639	0.1
557.18915	0.3
558.18829	0.8
575.15906	0.2
644.22375	0.4
704.23364	1.7
705.23523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77530	0.1
61.98831	100.0
62.98528	0.1
64.27164	0.1
70.93465	0.1
70.93773	0.2
82.69862	0.1
100.39004	0.1
123.10618	0.1
146.03580	0.1
158.90027	0.1
261.36819	0.1
396.05722	0.2
482.79721	0.1
674.30933	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57218	0.1
61.98829	100.0
62.98523	0.2
65.38429	0.2
66.85641	0.2
71.01379	0.6
73.88403	0.2
78.95912	0.3
98.19876	0.4
100.08916	0.2
120.49895	0.1
121.31229	0.2
126.90670	0.2
142.66466	0.2
171.10312	0.3
207.10188	0.2
209.11911	0.5
211.13385	0.2
225.11264	0.2
325.65472	0.2
334.20044	0.2
336.15018	0.2
512.34650	0.2
581.93243	0.2
652.85156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.57175	0.1
61.98828	100.0
62.98535	0.3
65.41779	0.2
71.01402	1.0
78.95935	0.3
95.76237	0.2
98.19823	0.3
109.06601	0.3
154.18559	0.1
163.11342	0.3
169.12408	0.2
171.10321	0.6
197.11906	0.2
201.11366	0.3
207.10281	0.4
209.11913	0.4
209.62843	0.2
211.13490	0.5
212.13797	0.6
223.09631	0.2
225.11372	0.5
229.55162	0.2
687.33057	0.2
705.34601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78069	0.7
57.03453	3.0
59.01379	6.3
61.98845	1.0
69.83254	3.5
71.01388	4.2
73.02969	1.4
75.00890	1.1
78.95914	3.9
83.05025	1.0
85.02988	0.9
89.02489	3.2
97.06613	2.4
98.19836	0.9
99.00887	0.8
101.02440	5.2
110.98573	0.7
113.02473	2.9
123.08157	1.8
125.09748	2.9
125.91942	0.7
139.11316	2.3
148.63553	0.7
152.99632	1.4
161.04576	1.7
167.10739	5.7
171.10274	4.5
185.11821	50.0
186.12201	3.1
209.11882	2.1
210.12132	1.5
211.09781	1.2
211.15224	0.7
235.08228	4.2
253.09329	4.4
253.21700	5.5
255.23297	100.0
256.23621	14.2
257.23941	1.2
278.22079	1.0
295.22821	3.2
296.23056	2.6
302.94617	0.8
321.87164	0.9
465.19757	1.4
472.66803	0.9
703.42621	93.5
704.43134	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	703.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98838	1.7
78.22842	0.5
78.95910	1.1
89.02451	0.6
91.04022	2.1
98.20654	1.6
108.66713	0.5
139.97231	0.5
176.09311	0.5
195.13956	1.0
209.11800	0.7
210.12271	1.0
223.13493	0.7
255.23378	3.0
256.23618	3.2
257.23907	1.3
275.20221	1.4
293.21237	29.5
294.21478	3.0
295.22891	1.0
296.23346	1.5
297.23508	0.7
335.20920	0.6
548.34082	0.6
569.42383	1.1
632.47003	0.8
689.45062	0.7
703.48389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.0
71.51958	0.8
72.99304	2.4
85.02950	10.6
88.04050	0.8
93.03465	0.6
93.34906	0.5
93.56440	0.5
96.96015	0.8
100.39954	0.5
107.37643	0.6
108.02182	0.9
109.02940	1.0
111.00887	1.1
119.05042	3.3
121.02955	100.0
122.03277	3.0
123.04525	0.8
125.02435	3.8
129.01941	3.3
131.07140	1.0
132.03018	1.2
135.04527	1.0
137.02454	1.5
147.04520	46.7
148.04878	2.0
151.04021	1.1
152.01166	0.5
161.02415	0.8
165.05569	40.0
166.05898	2.2
167.07016	0.6
168.00620	0.5
169.01378	3.0
175.03961	0.8
175.09738	1.7
177.02051	0.5
178.41580	0.5
182.05823	3.2
197.08189	4.4
207.06616	24.2
208.07010	1.8
221.58775	0.5
231.06647	1.2
250.07330	0.6
251.05594	11.2
251.08028	0.9
252.06035	0.6
289.07123	0.9
356.08127	0.5
365.10397	2.3
383.11514	1.1
418.27142	0.6
431.89142	0.6
441.08237	0.6
529.17224	2.1
540.53210	0.6
542.95892	0.7
703.33014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25988	0.8
59.01380	19.9
61.98842	1.2
71.01369	2.1
71.23285	0.7
73.02945	1.1
78.95897	2.7
89.02457	2.0
90.19940	0.8
101.02430	1.9
104.97644	0.8
114.29019	0.8
127.11299	1.5
152.99673	0.8
161.04498	1.3
171.10274	80.5
172.10616	4.3
185.11844	4.2
235.08148	3.9
253.09331	5.6
253.21722	100.0
254.22060	9.2
255.23230	7.3
256.23724	3.6
257.23785	1.8
295.22629	0.9
296.23233	1.4
407.19269	2.1
446.86096	0.8
489.30670	2.1
617.47339	0.9
703.43939	3.3
704.42859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16454	0.7
54.53977	0.7
55.01868	1.0
56.89805	0.9
57.03446	1.6
59.01376	6.9
61.98833	25.1
63.37079	0.9
67.98685	0.6
69.03448	2.2
70.75073	0.8
71.01378	5.7
71.05015	3.0
72.99298	0.8
73.02942	1.1
81.03455	1.5
83.01423	0.9
83.05034	1.2
85.02941	1.3
87.00867	2.3
88.98819	1.1
89.02443	4.2
95.01382	1.0
96.96001	0.9
97.02976	3.7
97.06580	3.0
99.00875	12.2
101.02449	6.2
103.88431	0.8
109.02941	1.8
109.06569	2.9
113.02433	1.9
119.03487	0.8
120.39970	0.8
121.02952	1.2
123.04528	0.9
123.08157	2.1
125.02482	4.1
125.09726	8.5
131.78076	0.7
135.08144	1.2
136.05269	0.8
137.02406	1.5
142.02692	0.7
151.03989	1.1
151.11279	1.2
153.12860	1.0
155.10814	1.1
161.04558	2.3
161.09711	2.4
163.11282	7.3
163.93336	0.7
171.10284	4.7
179.10747	3.3
181.12326	10.7
185.11893	1.3
189.09227	1.1
197.11829	38.3
198.12177	1.9
199.13390	7.1
201.11240	0.9
207.10260	22.5
208.10641	0.8
209.11850	11.2
210.12019	0.9
211.13361	1.7
213.11324	1.5
215.12801	1.0
222.23347	0.7
223.09732	1.3
223.13438	0.7
225.11313	29.5
225.88414	0.8
226.11609	1.2
227.12830	2.0
235.08154	1.2
241.10793	3.1
243.12350	10.9
253.09200	1.5
289.07166	1.4
459.19440	0.8
461.19955	2.4
477.19705	2.8
479.21402	2.2
541.26550	0.9
634.45630	0.8
635.30292	1.0
659.32684	3.4
660.33124	1.3
671.32690	1.0
685.30737	6.5
703.31805	100.0
704.32214	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	703.354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14594	0.2
56.16969	0.2
57.03445	2.7
59.01369	1.0
59.09113	0.2
61.98831	3.5
65.00310	0.7
69.03444	0.4
69.48033	0.4
69.48440	1.3
71.01382	0.7
73.02931	0.3
74.29763	0.2
81.03457	6.1
83.01387	1.8
83.05017	1.4
85.02924	0.4
89.02419	0.3
95.01356	0.4
95.05025	0.6
97.02956	0.3
97.06571	0.5
98.17453	0.2
99.08160	1.1
101.02422	0.4
102.62318	0.2
107.01393	0.9
109.02967	0.3
109.06595	0.8
111.08130	0.3
113.02455	0.3
121.03006	0.2
122.03741	1.4
123.04513	0.3
125.02446	14.5
126.02722	0.3
129.09180	1.2
133.79741	0.2
135.04539	0.5
143.10898	0.3
149.02415	1.0
151.00351	0.8
161.02463	0.3
161.09746	0.3
162.03104	0.2
163.11177	0.2
165.01886	0.2
171.10278	0.8
181.12309	0.3
185.11765	0.3
197.11853	0.8
199.55333	0.3
201.11273	0.4
204.78253	0.2
207.10255	1.3
207.13972	0.2
209.11790	1.5
210.12198	0.3
215.12862	0.5
225.11302	1.1
249.14983	0.4
269.21225	0.6
287.22440	0.3
309.24371	0.9
311.22336	0.7
333.24374	1.0
349.24017	0.4
351.25381	5.6
352.25690	0.7
377.23221	0.5
395.24359	100.0
396.24692	11.7
419.24246	0.4
433.13773	0.4
659.33319	0.3
703.35376	14.8
704.35950	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	703.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01381	5.0
61.98828	100.0
65.68878	1.0
68.24377	0.9
69.03448	1.5
69.37941	0.9
71.01381	6.8
71.51044	1.0
78.95893	2.1
81.03405	0.9
83.05014	1.3
83.58852	0.9
87.00864	1.5
88.98779	1.1
89.02442	2.5
94.55826	0.9
101.02426	3.1
111.01058	1.0
113.02450	1.5
120.43532	0.9
125.02420	1.8
125.09712	2.1
137.02457	1.4
150.74783	1.1
151.11319	2.0
161.09691	1.7
167.14421	1.1
171.10233	3.4
179.10751	3.1
183.13937	3.1
192.37665	1.4
193.12381	1.4
197.11821	35.6
198.12057	1.9
201.11253	1.6
207.10275	2.6
209.11862	6.6
211.13393	31.2
211.15401	1.6
212.13733	1.9
223.09703	1.7
223.13280	2.2
225.11322	1.6
237.14804	0.9
241.10814	2.5
253.09166	2.6
255.23471	1.2
421.85074	0.9
477.19153	1.2
508.64996	1.0
671.32776	42.0
672.33380	9.3
703.35358	15.6
704.35547	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	701.4476
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
57.03439	0.5
59.01373	4.6
61.98814	0.4
68.25867	0.3
69.10126	0.3
71.01385	4.0
73.02940	1.5
78.95901	0.5
83.01392	0.9
83.05041	0.5
85.02953	1.2
87.00874	1.1
89.02436	2.2
97.02911	0.4
97.06614	0.6
98.19866	0.7
101.02435	4.0
107.97713	0.3
110.98569	0.4
111.08166	1.2
113.02468	2.4
133.05130	0.5
134.64798	0.3
145.05081	0.6
161.04515	1.6
165.12851	6.5
166.13252	0.4
179.79083	0.3
180.32062	0.3
183.13895	51.1
184.14247	2.5
192.41939	0.4
195.13828	0.5
209.11819	2.6
227.12872	2.9
235.08255	2.0
253.09303	4.3
255.23283	100.0
256.23633	7.7
295.22757	3.7
423.25031	0.4
445.20844	1.2
463.21945	1.0
491.32248	0.8
593.07391	0.4
683.44226	0.4
701.44769	60.6
702.45172	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	701.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01369	1.1
78.95903	19.7
87.57340	0.5
102.69580	0.5
110.98530	13.4
113.09741	2.2
152.99588	1.0
167.01158	5.4
168.01460	0.6
179.14450	0.8
195.12057	0.9
195.13892	14.1
196.14220	1.0
229.46384	0.6
233.22800	0.7
251.23820	0.6
255.23279	100.0
256.23608	10.0
257.23941	0.8
277.21692	12.4
278.21997	0.9
293.21249	2.1
294.21603	2.3
295.22760	87.2
296.23090	9.0
404.83810	0.6
405.24103	1.2
422.70523	0.5
423.25153	6.2
424.25629	1.3
445.23578	1.1
463.24713	2.9
464.24887	1.1
627.73645	0.5
701.47559	39.8
702.47913	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	702.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98517	0.2
63.96310	0.2
70.61043	0.5
71.01405	0.2
79.95602	0.1
80.77036	0.2
90.83112	0.2
112.26122	0.2
197.11816	0.3
209.11823	0.4
211.13475	0.3
229.98004	0.2
237.14948	0.3
238.15302	0.2
607.16565	0.2
671.32709	0.2
703.35052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98829	100.0
62.98530	0.2
63.99254	0.2
71.01409	0.3
78.95924	0.2
94.33107	0.1
105.46111	0.1
155.83569	0.1
171.10280	0.3
197.11839	0.1
201.11325	0.1
207.10477	0.2
209.11902	0.4
211.13474	0.4
223.13416	0.2
225.11453	0.2
253.09151	0.2
255.23357	0.3
258.96576	0.1
295.22739	0.2
296.23196	0.2
451.95013	0.2
458.08749	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	702.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58692	0.1
57.82587	0.1
59.01369	0.1
61.98828	100.0
62.98513	0.1
62.99238	0.1
71.01397	0.5
73.03025	0.1
87.00906	0.1
101.02460	0.2
119.00775	0.1
121.49387	0.1
121.83623	0.1
165.59538	0.2
171.10275	0.5
197.11858	0.8
197.56418	0.1
207.10234	0.3
209.11792	1.7
210.12215	0.4
211.13423	0.4
216.90242	0.1
220.11337	0.1
223.13448	0.4
225.11450	0.4
237.14937	1.5
238.15305	0.9
253.09355	0.3
255.16089	0.2
286.06613	0.1
314.75095	0.1
386.36298	0.1
398.00732	0.1
427.52853	0.1
438.35684	0.1
461.20267	0.1
492.56149	0.1
643.45007	0.1
671.32587	0.9
703.35712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41183	0.4
61.98829	100.0
62.47685	0.3
69.76825	1.1
69.77238	0.7
78.09554	0.3
78.30144	0.3
78.95921	2.3
98.19935	0.3
110.98542	1.4
137.33984	0.4
152.99567	0.4
167.01184	0.5
195.13956	1.5
254.44072	0.4
255.23299	7.3
256.23605	5.2
277.21906	1.0
278.22165	0.8
279.23328	0.9
292.01608	0.5
295.22757	5.9
296.23129	5.7
296.26285	0.5
297.23703	0.4
423.25461	0.5
657.54590	0.4
702.48138	4.8
703.48956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65088	0.4
61.98830	100.0
65.72035	0.4
69.11744	2.6
69.12166	1.6
78.95907	12.2
82.48324	0.4
96.96033	1.0
96.96975	0.9
98.20683	0.9
108.70056	0.5
110.98552	1.1
137.61617	0.4
152.99594	5.5
153.99924	0.7
167.01157	0.4
170.22531	0.4
179.77620	0.4
195.13896	1.0
196.14273	0.4
203.02356	0.3
209.11235	0.3
211.13484	0.5
255.23288	10.9
256.23633	6.4
276.01343	0.4
278.22159	0.7
291.19568	0.6
295.22742	4.3
296.23074	3.4
310.21362	0.7
391.22598	1.9
392.22894	0.9
409.23621	0.5
410.24100	0.5
445.20007	0.7
659.02209	0.5
702.45923	5.4
703.45074	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	701.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23890	6.3
55.88450	6.8
57.71548	6.1
59.01383	9.4
61.98831	25.6
128.16202	7.2
171.10245	100.0
223.13368	22.5
253.09286	12.0
284.71677	6.6
293.21014	10.9
311.22415	39.6
701.33215	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	701.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88927	0.4
54.03909	0.4
56.92448	0.5
57.03448	4.5
59.01385	2.4
61.98830	19.2
63.02390	2.1
65.00323	2.4
69.03453	1.0
71.01376	1.7
71.51212	0.7
73.02962	0.6
81.03455	6.7
83.01388	3.5
83.05028	1.9
85.02972	0.7
93.03463	0.7
95.05010	1.4
96.96053	0.6
97.06601	1.1
101.02422	1.0
107.01401	3.1
107.04932	0.6
109.02946	0.6
109.06593	1.0
111.53138	0.5
113.02433	0.8
119.05021	0.6
121.02911	0.7
122.03793	0.7
123.04545	1.1
124.01691	0.9
125.02448	25.2
125.09692	0.9
126.02834	1.2
135.04538	0.7
137.02414	1.1
139.11302	2.3
149.02393	0.8
151.00356	5.4
151.03987	0.7
152.01167	3.3
165.01854	0.6
169.01369	0.7
171.10213	1.0
173.90819	0.5
178.99927	2.2
179.10770	1.2
179.14278	0.7
189.13538	0.6
197.11818	7.1
209.11841	4.3
218.87253	0.5
225.11375	0.6
227.12868	0.6
237.14990	2.9
253.09196	0.8
255.16023	1.0
259.05994	1.3
267.19492	0.6
269.04550	17.3
270.04904	1.3
287.05539	1.0
289.07114	0.8
309.20651	0.7
331.22757	0.5
332.17151	0.6
349.23849	6.4
350.24194	0.8
375.21451	0.6
393.22821	100.0
394.23123	12.3
417.22852	0.9
425.96350	0.5
635.36481	0.5
680.79633	0.5
701.33405	17.5
702.33148	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	701.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.4
61.98826	4.1
69.03462	0.4
71.01375	2.1
73.02922	0.4
78.95901	1.2
85.02987	0.4
86.29271	0.3
87.00864	0.4
89.02432	1.4
98.19943	0.8
101.02461	1.8
109.19273	0.3
110.02121	0.3
110.98554	0.4
111.08171	0.5
113.02427	0.9
125.09681	0.4
139.11418	0.3
145.05054	0.5
152.99583	0.4
161.04518	0.7
167.10660	0.4
171.10239	7.1
172.10594	2.7
173.10782	1.0
183.13892	6.9
193.12277	1.5
195.13908	0.5
197.11807	1.1
198.12053	0.4
209.11827	0.4
211.13379	100.0
212.11880	0.6
212.13733	5.7
235.08185	1.8
253.09253	4.9
254.09550	0.5
255.23256	3.6
277.21735	0.4
292.20132	0.4
295.22791	2.7
298.80045	0.3
309.20560	0.7
310.21088	1.2
311.21933	1.2
397.56897	0.4
429.21127	0.8
435.99109	0.3
447.22345	6.8
448.22540	0.8
450.19574	0.3
468.25781	0.3
623.34357	1.1
641.35303	0.7
701.48395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98826	1.0
68.46028	0.6
78.95926	1.0
195.13820	0.7
255.23296	4.7
272.03601	0.7
278.53244	0.7
293.21112	0.7
295.22833	3.4
364.80930	0.7
366.02887	0.7
437.12631	1.4
438.13300	2.5
439.13516	0.8
452.14835	1.5
453.15347	1.1
467.13193	1.0
481.15170	33.4
482.15433	8.3
495.16684	12.5
496.17422	3.0
497.18414	6.3
498.18369	1.0
514.15314	3.3
523.16284	1.0
525.13910	1.0
539.15527	1.9
540.16412	9.9
541.16681	1.8
554.18085	3.1
555.18848	58.7
556.19110	14.3
572.15582	15.6
573.15778	4.2
586.17059	6.9
587.17279	1.3
609.19751	1.5
627.21185	1.6
641.11829	1.3
641.22552	27.3
642.22784	7.2
701.24695	59.6
702.24841	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83992	1.2
55.01868	1.2
57.03423	3.3
59.01381	7.9
61.98829	45.7
65.00326	1.8
68.99567	4.4
69.03445	4.8
71.01388	6.3
71.05011	2.8
71.52408	1.7
73.02925	2.0
81.03456	3.3
83.01352	2.3
85.02946	3.2
86.92012	1.1
87.00926	1.5
89.02425	3.6
95.01370	2.3
95.05067	1.4
96.95997	1.5
97.02933	1.8
99.00871	1.8
101.02434	3.9
107.01367	2.2
109.02930	1.6
112.98584	1.9
113.02448	2.6
114.84586	1.0
116.60808	1.1
119.03532	1.7
121.02980	2.3
123.04533	2.7
123.08105	2.8
125.02441	13.2
125.09736	6.5
151.00327	3.2
151.03943	2.0
151.11195	3.1
153.12846	1.5
161.02356	1.3
161.04613	1.9
161.09734	1.8
163.04002	1.5
169.01338	1.4
171.10251	2.5
179.10762	6.2
197.11827	84.9
198.12184	3.6
209.11856	5.5
220.25322	1.4
225.11269	1.5
227.12714	1.3
237.14943	6.1
241.10747	3.7
253.09229	2.8
255.16090	2.1
267.15906	3.3
285.03882	2.5
286.04327	1.4
349.23743	2.7
359.28076	1.5
371.20514	1.3
393.22769	37.7
394.23120	3.2
477.19580	3.8
516.30627	1.2
539.23547	3.7
657.30927	2.8
661.81519	1.2
669.31146	2.5
701.30292	100.0
702.30493	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	699.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01379	4.1
65.69384	0.7
70.80968	0.9
70.81311	1.4
71.01360	4.4
73.02967	1.2
78.95905	1.0
84.30206	0.6
85.02937	1.5
87.00912	1.3
87.05753	0.8
89.02453	2.7
97.06611	1.3
101.02447	3.8
109.06609	1.0
111.08144	1.7
113.02454	2.5
118.44253	0.6
119.03470	0.7
142.52637	0.8
153.53354	0.6
161.04555	2.0
163.11276	0.9
165.12828	7.5
167.20517	0.7
183.13893	58.4
184.14250	3.2
207.10292	1.9
209.11781	4.0
225.11314	1.9
227.12843	2.9
235.08162	3.0
253.09315	5.1
253.21710	100.0
254.22069	8.5
255.23259	10.2
256.23651	1.2
293.21155	3.4
319.31805	0.7
348.54648	0.7
445.20950	1.0
463.21539	0.7
665.75763	0.7
699.43213	69.5
700.43622	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	700.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35569	0.2
57.99128	0.2
61.98830	100.0
63.36662	0.2
70.79783	0.6
78.95908	1.1
110.98471	0.2
111.28722	0.2
122.35577	0.2
152.99629	0.7
183.41054	0.2
238.09720	0.2
255.23309	1.4
256.23706	0.2
295.22891	1.0
381.45752	0.2
455.98059	0.2
700.44427	0.3
701.47668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86036	0.3
59.01363	0.6
59.72971	0.3
71.06141	0.6
79.81583	0.3
85.02946	10.0
93.03475	0.3
107.01348	0.3
108.02181	0.5
109.02998	0.3
111.00881	0.6
121.02953	100.0
122.03290	3.5
125.02444	0.9
129.01947	3.3
132.03081	0.3
147.04491	0.8
151.00369	1.1
152.01117	0.8
153.01886	0.3
165.05576	0.6
169.01433	0.4
207.06570	0.5
234.99504	0.2
241.05009	0.3
251.05588	9.9
252.05956	0.6
269.19720	0.3
285.03983	0.7
309.08807	0.3
315.06909	0.3
449.10745	0.5
567.79156	0.3
625.16467	0.4
669.15320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01382	3.7
61.98835	10.2
71.01380	4.1
71.49850	0.7
71.50337	0.7
73.02943	0.9
76.19447	0.7
78.95890	1.9
83.01364	0.8
83.05045	1.0
85.02922	0.8
87.00898	0.8
89.02450	2.2
89.70086	0.7
95.01380	0.8
97.06540	0.9
101.02438	2.7
103.38790	0.6
110.98498	0.9
111.08148	5.1
113.02448	2.1
119.03487	0.8
125.02470	0.9
125.09723	2.8
127.11287	2.3
137.09680	0.8
154.65901	0.6
161.04543	1.5
167.10728	0.8
168.88290	0.7
169.30629	0.7
171.10263	100.0
172.10588	4.0
177.12807	0.8
185.11896	1.8
187.09738	4.2
195.13887	3.2
197.11807	1.7
209.11803	1.7
216.37413	0.7
223.13202	0.9
235.08223	2.5
237.14981	1.1
247.20683	1.6
253.09218	8.8
255.23262	5.8
265.13593	0.7
275.20087	2.3
291.19656	53.1
292.19910	5.0
293.21167	10.1
294.21640	1.2
295.22836	2.3
309.20709	6.9
396.45984	0.7
424.46588	0.7
463.24509	1.2
527.28424	0.8
560.67224	0.7
699.45911	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	699.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
57.03454	1.3
59.01379	3.9
61.98828	5.3
71.01379	3.1
78.95902	2.7
87.00862	0.6
89.02441	2.4
91.42781	0.7
97.06570	1.0
100.34180	0.9
101.02443	3.3
110.98540	1.0
111.08189	3.7
111.08826	0.7
113.02427	0.8
113.09715	1.2
125.02425	0.6
125.09709	4.3
127.11304	1.6
145.05046	1.0
161.04587	1.3
167.10713	1.5
171.10269	100.0
172.10593	4.6
177.12743	1.5
181.12332	0.7
185.11803	1.6
187.09779	4.3
195.13823	3.4
197.11835	1.7
209.11862	0.7
223.13371	1.1
229.82372	0.8
235.08231	2.1
235.13463	0.8
247.20790	0.9
253.09285	8.7
253.14104	0.7
253.21637	1.1
255.23299	9.4
273.18564	1.0
275.20123	1.4
291.19659	43.3
292.19949	5.0
293.21219	11.0
294.21466	1.2
309.20740	7.1
407.19455	0.9
463.24722	1.6
699.37329	1.1
699.46332	2.8
700.37213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.1
59.01380	11.0
59.42271	1.0
61.98808	2.3
71.01380	7.6
73.02953	1.5
83.01354	1.6
85.02931	2.8
89.02451	6.1
95.04984	1.4
97.06587	11.7
101.02456	7.2
111.08149	3.3
113.02425	3.4
123.08156	6.3
125.09721	96.0
126.10012	3.2
127.11245	1.1
161.04539	1.9
169.08665	3.0
171.10265	87.6
172.10583	4.6
179.05597	1.6
187.09752	73.4
188.10081	3.9
193.76678	1.1
195.13753	2.1
197.11821	21.1
198.12202	1.4
211.13292	3.1
223.13492	1.8
235.08121	3.9
253.09274	12.9
255.23329	2.0
261.13245	2.4
291.19629	11.3
292.20099	1.1
293.21207	10.8
294.21512	1.2
300.18988	1.0
309.20673	31.0
310.20944	3.3
405.17542	3.9
407.19147	1.3
423.13495	1.7
423.18704	17.1
502.92307	1.0
507.72348	1.1
600.85895	1.2
699.39502	100.0
700.40033	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	699.396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15299	1.4
57.03430	2.0
59.01362	5.2
61.98831	15.2
71.01376	4.4
78.95901	6.5
89.02441	3.5
95.05014	1.8
101.02438	4.1
110.98509	2.8
111.08156	7.0
111.47903	1.5
113.02427	2.5
125.09787	3.0
151.34662	1.8
167.01132	1.8
170.35721	1.5
171.10268	100.0
172.10570	4.6
179.10928	1.5
187.09720	3.1
195.13892	6.1
197.00476	1.5
197.11757	5.6
209.11879	1.7
223.13373	2.6
223.30273	1.4
235.08205	2.0
253.09268	16.3
255.23238	19.8
275.20285	3.2
291.19632	78.7
292.19977	5.7
293.21234	20.2
295.22729	2.6
296.23120	1.8
309.20697	14.3
423.02515	1.5
423.24637	2.3
463.24619	1.9
636.27380	1.6
699.47595	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	699.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03450	0.6
58.00600	0.2
59.01376	3.0
61.98830	0.3
66.38221	0.2
69.03450	0.6
71.01386	2.4
73.02944	0.5
83.01389	0.4
83.05039	0.3
85.02965	0.8
87.00892	0.5
89.02440	2.1
91.03985	0.2
95.01387	0.3
97.02943	1.9
97.06605	0.5
99.00880	0.4
101.02432	2.3
111.08159	2.9
113.02473	1.6
119.03486	0.9
119.08702	0.2
123.08205	0.3
125.02441	0.4
125.09718	2.2
127.11282	1.9
137.09738	0.6
143.03491	0.2
145.05077	0.3
151.11259	0.3
153.09227	0.6
153.12828	0.4
161.04579	1.2
163.11337	0.4
165.12810	1.0
169.12384	0.9
171.10265	100.0
172.10609	4.2
179.05637	0.4
179.14407	0.2
181.12355	0.7
185.11835	0.3
187.09781	0.7
193.12328	0.3
197.11824	12.0
198.12180	0.7
199.13387	0.6
207.10202	0.2
209.11789	1.0
211.13377	2.0
223.13387	0.3
227.12872	1.1
235.08223	3.4
247.20706	0.9
253.09279	9.9
254.09631	0.5
255.23239	0.7
263.20169	0.5
265.18015	0.3
273.18549	0.7
291.19647	16.4
292.19995	1.5
293.21216	0.7
309.20700	30.7
310.21072	2.4
340.94458	0.2
407.19241	1.5
463.30713	0.6
469.48843	0.2
527.28729	0.4
545.29657	0.6
699.38531	1.0
700.39386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38736	0.8
55.01872	0.8
55.95044	0.7
57.03450	5.0
59.01384	5.0
61.24827	0.8
61.98815	1.4
71.01387	5.8
73.02949	1.7
78.95882	0.9
81.99084	0.7
83.01404	0.8
85.02940	1.5
87.00859	2.4
89.02438	2.9
95.05003	2.4
97.06584	15.7
98.20715	1.4
101.02470	4.4
102.48260	0.7
106.44383	0.8
113.02417	1.5
119.03514	0.8
123.08153	7.5
125.09723	76.1
126.10036	2.8
126.89442	0.8
140.49834	0.7
143.10759	1.0
145.05013	1.9
161.04526	2.7
169.08664	2.6
171.10274	21.3
172.10573	1.5
187.09744	33.7
187.11418	1.7
188.10019	1.6
195.13873	5.8
205.12456	0.9
211.13380	0.8
223.13383	3.4
235.08185	2.6
253.09225	7.3
255.23280	2.2
275.20081	2.3
291.19666	3.8
293.21234	26.4
294.21484	2.2
302.70642	0.7
309.20700	9.8
310.20956	1.4
405.17728	4.5
423.18579	6.1
545.29535	1.9
699.39502	100.0
700.39874	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	699.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07033	0.6
58.05636	0.5
59.01381	4.7
59.37907	0.5
61.98829	100.0
62.46827	0.6
71.01391	2.6
79.60883	0.6
80.02754	0.6
85.02929	1.0
87.00878	1.1
89.02451	1.1
97.02924	0.9
98.19860	1.4
101.02472	2.5
111.08173	0.6
113.02450	1.0
120.90234	0.6
123.04573	0.7
125.02473	1.4
125.09757	1.7
127.11318	0.7
147.08044	0.6
165.12947	0.6
171.10268	31.7
172.10643	2.0
181.12280	0.6
185.11734	0.9
189.41946	0.6
195.13960	0.8
197.11847	4.0
201.17630	0.6
209.11804	3.7
211.13432	2.5
215.14439	1.0
223.13406	0.7
227.13013	1.0
233.15512	4.3
235.08244	1.6
235.13477	1.4
237.15112	1.0
253.09229	3.6
253.14656	1.0
255.23402	2.5
291.19595	5.7
293.21313	2.1
295.22742	0.6
307.45145	0.6
309.20694	11.2
310.21310	1.1
385.24039	2.5
403.24960	1.9
463.24634	0.8
468.51593	0.6
621.32764	13.4
622.33270	2.8
639.33673	2.3
640.34851	0.7
643.94489	0.7
699.35754	1.6
699.47351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
61.98828	100.0
69.14130	5.0
72.18196	0.5
72.45535	0.4
78.95907	0.8
89.52242	0.5
90.74330	0.5
92.91115	0.4
97.72295	0.5
119.26830	0.5
135.65738	0.6
143.83475	0.5
144.64983	0.4
150.80801	0.5
169.12428	0.7
172.97217	0.5
173.80525	0.5
206.11000	0.5
207.10292	1.1
208.10669	0.5
225.58925	0.5
248.32245	0.5
255.23273	3.7
257.79205	0.5
267.23370	0.7
293.21368	0.9
326.53394	0.5
334.69891	0.5
699.43103	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	697.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49485	0.4
57.65578	0.4
59.01379	100.0
60.01726	1.1
61.98823	2.3
70.51595	0.9
70.51946	0.5
70.57734	0.4
71.01377	0.7
78.71426	0.4
78.95882	0.5
87.08494	0.4
87.54521	0.5
109.06602	0.5
115.74877	0.4
121.02926	2.5
125.02416	0.6
137.02499	0.4
137.11079	0.4
138.53831	0.4
139.57771	0.4
142.54156	0.4
171.10265	12.1
172.10619	0.4
185.11841	1.4
191.03471	0.9
209.04631	1.2
209.11920	0.8
211.13411	0.8
245.19197	0.6
253.09322	1.7
289.18100	6.6
289.21042	0.6
293.21323	0.6
307.19241	1.2
533.15265	0.5
536.85693	0.5
593.13055	1.1
620.19751	0.4
697.34790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50962	1.5
57.03442	1.9
59.01381	23.4
61.58539	1.3
61.98830	100.0
63.45673	1.5
71.01370	8.4
73.02925	2.1
81.03468	1.5
83.01379	3.0
85.02953	3.6
87.00893	2.1
89.02425	4.3
95.05010	1.5
98.19938	4.3
101.02433	6.8
107.05035	1.7
113.02458	3.1
115.00368	1.4
119.05016	5.6
125.02439	2.8
125.09731	7.8
137.02426	2.7
145.02965	2.6
161.04556	2.1
163.03960	4.6
171.10255	16.7
185.11830	6.3
187.09656	2.0
187.11298	2.1
187.14864	1.8
205.12320	8.3
209.11848	4.3
211.13341	3.8
215.10764	2.3
221.15520	3.2
223.13440	2.5
229.20538	2.1
231.13821	4.2
233.11823	3.4
235.08200	3.2
249.14925	4.7
289.18036	6.0
307.19003	3.9
338.01602	1.5
339.23251	2.9
355.22824	1.7
373.23639	2.0
383.22351	10.4
401.23325	18.4
402.23651	2.4
419.24319	5.1
593.29724	11.6
619.31274	31.3
620.31171	5.8
637.32275	41.6
637.96930	1.6
638.32684	8.0
697.22668	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	696.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98828	100.0
71.01400	0.4
72.54604	0.2
73.26349	0.3
98.19874	0.6
111.14239	0.2
114.24642	0.3
121.02953	0.4
122.26603	0.2
125.09678	0.3
128.14462	0.2
171.10262	2.3
172.64677	0.3
211.13403	0.8
212.13766	0.3
223.13503	0.4
229.00307	0.3
289.18030	0.4
307.19168	0.3
625.28033	0.2
637.32629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.3
61.98835	0.6
63.39014	0.4
65.00324	0.5
66.30795	0.4
69.03432	0.4
69.65022	1.4
69.65453	1.5
81.03452	1.7
83.01379	4.4
85.88224	0.4
93.03442	3.7
93.96625	0.5
95.01363	0.6
95.05043	1.3
95.49790	0.5
96.96014	0.7
97.02952	2.4
100.61829	0.5
107.04990	1.1
108.02179	1.1
109.02956	11.8
110.03175	0.4
117.03443	0.5
118.78325	0.4
119.02457	0.6
119.05048	0.9
121.02963	2.3
122.03757	0.7
123.00986	0.7
123.04522	7.8
125.02444	100.0
126.02777	2.6
131.05000	0.8
133.02924	4.4
135.04512	2.5
137.02432	17.7
139.04019	1.3
143.05025	0.5
145.02931	4.4
146.03716	1.2
147.04483	0.6
149.02451	4.4
150.03218	0.9
151.04005	7.0
155.04961	0.5
159.04527	5.1
160.05196	0.7
161.02437	25.9
161.06038	4.4
162.03059	2.0
163.00349	2.2
163.04005	2.5
164.01143	2.8
165.01921	4.3
167.03496	0.8
173.02420	0.5
173.06010	0.9
174.03133	0.7
175.03987	9.2
175.05487	0.5
175.07663	0.7
176.01270	0.6
176.04317	0.7
177.01915	11.5
179.03519	2.8
183.04500	1.5
184.05272	0.7
185.06047	2.1
187.04013	5.6
188.04813	2.2
189.01935	0.6
193.05078	0.6
199.03999	1.8
199.07751	0.5
201.01892	0.9
201.05531	2.5
202.06119	0.6
203.03519	1.9
203.07164	5.4
205.01454	1.1
205.05067	4.4
206.27711	0.5
209.06061	1.2
211.04044	1.7
213.05542	1.3
214.02722	0.7
215.03523	1.0
217.05013	3.0
219.02869	1.4
221.08194	1.4
225.05540	1.5
227.03459	2.3
227.07014	2.2
228.04306	1.3
229.05064	3.3
230.05646	0.6
231.03076	0.9
237.05533	1.1
241.05080	1.4
243.02962	5.5
243.06676	1.2
245.04517	4.6
245.08154	7.8
246.08653	0.6
253.05093	2.6
255.02968	6.3
256.03665	4.3
257.04486	1.7
269.04605	3.2
271.06119	12.1
272.06421	1.0
273.04092	3.9
281.04538	3.7
283.02463	2.0
285.03986	3.7
287.05603	9.1
288.03006	0.6
289.07175	35.3
290.07529	2.1
297.04034	1.5
297.07306	0.6
298.04764	0.6
299.05588	4.4
321.07742	1.7
329.06808	0.9
339.08868	2.5
363.08749	1.6
381.09714	2.2
389.06656	4.2
407.07681	61.8
408.08008	5.6
409.09250	1.5
425.08768	7.7
433.09277	5.9
434.09821	0.5
451.10315	13.9
452.10718	1.3
527.09827	3.4
545.10822	9.8
546.10840	1.2
559.12280	3.2
571.12646	1.4
577.13428	10.2
578.13947	1.5
697.16083	2.1
697.36169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69644	0.5
59.01377	100.0
60.01710	1.1
61.98821	0.9
69.13711	6.2
70.39670	0.6
78.95908	12.5
98.20679	1.0
103.68755	0.5
152.99562	0.9
158.47569	0.6
185.11823	0.6
201.46121	0.6
205.16066	0.7
233.55388	0.6
255.23244	1.7
279.23029	1.1
323.17569	0.8
328.36893	0.6
447.13565	0.7
580.05170	0.8
650.26459	0.7
695.31024	53.2
696.31409	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	695.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14939	7.3
59.01392	9.9
61.98826	100.0
71.50033	8.5
77.61082	7.9
78.95902	30.6
96.94344	7.3
108.48738	8.5
118.19714	8.1
118.20572	7.8
119.37319	7.4
131.18338	8.2
152.99582	29.4
221.11880	8.7
223.13458	10.4
255.23267	35.1
258.46387	8.4
267.23297	17.0
279.23270	36.1
281.24826	10.0
325.49490	9.0
415.22452	8.6
502.83731	8.9
689.28400	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	696.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89892	0.3
58.02974	12.1
67.41192	0.4
69.51389	1.2
69.51815	1.2
70.02974	5.7
72.00910	3.6
80.64815	0.4
81.89425	0.3
88.67208	0.3
91.05531	3.9
94.03904	0.3
97.03770	0.3
98.19926	0.6
99.40910	0.3
103.05506	0.5
112.13459	0.3
118.06685	0.3
119.05010	0.3
132.03047	0.5
134.80664	0.4
137.02470	0.4
146.79532	0.3
147.04520	22.8
148.04863	1.0
162.09230	1.1
163.03967	0.5
164.07159	58.8
165.07497	2.6
206.08211	100.0
207.08546	5.8
243.03094	0.6
250.07298	1.1
421.26437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69780	0.6
53.90073	0.5
57.03442	0.9
62.96393	0.6
64.64111	0.6
64.82883	0.6
78.95903	67.2
96.96962	6.7
111.08167	2.1
150.98013	1.6
152.99579	90.1
153.99959	0.9
155.49109	0.7
157.13945	0.6
165.12840	23.3
166.13155	1.5
166.56479	0.7
167.42566	0.7
171.00632	7.1
175.97923	0.6
181.12280	0.9
183.13890	57.2
184.14183	3.3
191.10698	0.9
199.13379	1.9
209.02144	0.7
209.11775	5.2
227.03162	2.1
227.12894	20.7
228.13342	0.8
255.23283	39.5
256.23691	3.0
281.24826	0.8
345.10995	1.6
363.12106	6.0
393.52374	0.7
395.52606	0.6
437.09964	1.3
437.15768	19.0
438.16010	1.6
455.16937	2.2
564.05200	0.7
619.37048	1.0
675.38245	1.8
693.39789	100.0
694.40155	23.2
694.52240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44699	1.4
59.01381	5.9
61.98834	4.1
69.28737	5.9
69.29179	7.1
81.43541	1.5
82.62360	1.6
86.19299	1.5
94.02981	23.1
94.06634	1.8
96.96025	8.5
105.59071	1.4
106.06596	1.8
108.04593	2.7
110.06113	7.1
120.04562	2.0
120.08190	1.8
122.06100	13.7
124.04026	3.6
125.02467	4.3
134.06113	2.7
136.04041	4.3
136.07613	2.1
137.02464	2.7
137.04898	1.7
138.05595	9.3
144.04497	3.6
146.06087	2.3
150.05573	5.3
152.07280	1.7
161.03561	1.7
161.04829	3.0
162.05536	1.7
174.05595	4.7
175.05130	3.2
180.06639	3.8
180.32706	1.7
186.05640	2.9
187.06297	1.7
188.07111	2.3
201.10286	10.2
203.05856	2.1
203.11922	2.1
213.10336	4.5
215.11832	3.5
225.10284	1.9
227.11865	5.2
229.09828	13.1
229.13486	5.9
237.10178	2.0
239.11870	14.1
241.09830	3.3
243.11421	1.8
247.10951	1.8
249.10208	2.1
251.08237	2.5
251.11876	3.8
252.08974	1.8
255.11426	5.3
257.12943	6.6
259.10739	2.3
263.08276	2.6
263.11847	2.6
264.09113	7.9
265.09720	6.8
267.11392	7.6
273.12518	3.0
275.14069	2.2
276.08850	3.2
277.09708	2.6
278.10358	2.4
278.99149	1.6
279.08578	2.0
279.11374	12.3
280.12161	3.2
281.09402	1.9
281.12973	3.2
283.10822	6.2
289.11938	4.8
291.08020	3.5
291.11374	9.2
292.08521	9.9
292.11646	3.2
293.09222	5.7
301.11902	21.7
306.10226	3.7
307.07504	2.5
307.10904	31.6
308.11554	8.8
309.12430	3.6
311.10507	3.0
319.12958	66.1
320.13187	4.8
321.12195	1.6
325.11786	2.4
327.13501	4.2
330.12399	2.1
335.10260	2.5
340.10703	1.9
343.12836	4.8
344.13931	2.5
350.09052	7.0
351.09860	20.9
352.10333	3.3
358.15549	2.3
365.11261	4.1
370.15643	1.9
372.13522	3.6
380.63071	1.6
386.15048	6.4
387.15872	2.3
400.16931	1.8
402.18539	2.0
404.16095	8.1
405.16650	4.6
414.14630	3.9
428.15924	2.1
429.16568	4.3
430.17572	4.8
432.15656	5.3
437.16034	3.8
446.17126	5.9
447.17792	6.6
448.19104	2.8
474.16461	4.4
491.16785	3.1
492.17957	9.7
493.17578	2.0
506.19315	18.6
509.21768	2.6
527.23065	9.9
528.22742	2.0
538.22009	32.8
539.22150	5.9
545.24060	12.2
546.23975	2.9
551.23309	2.1
563.25226	1.8
569.23999	11.9
570.24542	2.0
571.21960	6.9
587.16187	2.9
587.25067	39.5
588.25177	8.4
597.17688	1.9
601.25140	2.7
603.24811	13.4
604.25409	2.5
613.22961	9.0
614.23724	1.8
619.27783	5.0
631.24072	54.2
632.24677	7.8
633.25549	2.5
635.26837	4.7
636.27069	2.0
645.25653	20.7
646.26025	5.6
663.26697	100.0
664.26672	21.6
677.28351	8.8
695.29419	25.4
696.29449	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	693.327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66019	0.9
59.01379	18.1
61.98831	20.8
63.27655	1.0
69.03455	1.4
71.01383	12.8
71.04123	0.9
72.99332	1.5
73.02947	2.0
78.95921	1.0
81.03447	1.1
83.01402	0.9
83.05006	1.2
85.02958	3.3
87.00884	2.2
88.98743	1.0
89.02448	10.8
97.02915	1.7
97.06621	1.1
99.00879	1.5
101.02448	8.6
113.02472	4.7
113.09706	1.0
119.03509	3.6
125.02441	3.7
125.09704	1.4
143.03467	1.1
159.35172	0.9
161.01265	0.9
161.04553	2.8
171.10266	23.4
179.05597	2.9
179.14401	1.2
183.13846	1.4
195.13875	14.7
197.11673	1.1
209.11821	22.3
211.13393	35.3
212.13724	2.6
227.12903	5.0
235.08261	5.1
253.09250	3.9
277.21759	11.4
295.22775	100.0
296.23135	10.6
335.17560	1.0
395.97177	1.0
397.13486	19.6
398.13580	1.6
407.19128	1.3
415.14572	20.5
416.14514	1.5
445.20859	1.3
447.22165	2.2
561.70587	1.1
621.32898	1.0
675.35541	1.3
693.32684	6.7
694.33673	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59510	3.1
56.05138	2.6
59.01372	9.3
61.98829	100.0
67.97939	2.7
71.01379	7.7
71.52050	3.1
72.49276	2.9
88.98817	4.6
89.02438	3.4
96.23576	3.3
96.96046	4.3
101.02412	4.7
121.02896	2.9
123.04550	5.5
125.02450	15.2
125.09673	6.0
132.03029	4.7
135.04562	4.8
137.02438	4.5
146.04695	4.9
149.48651	3.2
151.00397	4.0
161.04547	4.5
163.04042	3.4
163.11168	3.6
166.02693	5.7
167.03394	3.0
169.01450	5.8
169.12329	5.5
171.10307	7.7
179.03410	5.0
183.13876	5.6
185.11725	5.6
201.11279	11.7
209.11816	57.9
210.12158	12.3
211.13432	61.0
227.12891	16.4
229.14426	3.6
253.09242	8.6
337.39450	4.0
373.25854	4.8
385.12833	3.4
445.21011	4.9
447.22382	11.4
495.36829	7.1
513.67883	3.3
564.15607	4.2
621.32880	4.4
635.25934	3.6
635.36890	3.4
639.33899	6.5
675.32239	5.9
693.32654	38.9
694.33252	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	693.3265
Annotation	Hirsein B
Peak:m/z	Relative Intensity
51.87126	3.4
53.80601	3.5
56.83096	3.6
59.01374	10.4
61.98830	100.0
67.57619	3.6
68.99573	5.1
71.01376	11.0
79.61474	4.3
89.02435	5.2
94.24976	3.9
101.02444	4.8
109.02946	5.2
123.04483	8.7
123.81325	3.5
125.02411	16.1
137.02444	5.6
147.90204	3.8
149.02451	4.7
151.00397	9.6
151.04025	4.2
151.11272	4.0
163.04034	5.7
164.04822	5.2
166.02795	5.3
169.12331	11.3
171.10239	8.8
185.11832	8.3
201.11319	18.0
209.11830	70.5
210.12093	9.3
211.13408	45.9
217.89453	3.7
225.11330	6.3
227.12837	13.1
253.09209	11.4
288.06342	5.0
289.06885	5.2
296.30643	4.0
385.12772	5.3
445.21118	6.7
495.36783	6.8
639.33929	8.9
675.32269	17.7
693.32861	38.2
694.33234	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	693.327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66019	0.9
59.01379	18.1
61.98831	20.8
63.27655	1.0
69.03455	1.4
71.01383	12.8
71.04123	0.9
72.99332	1.5
73.02947	2.0
78.95921	1.0
81.03447	1.1
83.01402	0.9
83.05006	1.2
85.02958	3.3
87.00884	2.2
88.98743	1.0
89.02448	10.8
97.02915	1.7
97.06621	1.1
99.00879	1.5
101.02448	8.6
113.02472	4.7
113.09706	1.0
119.03509	3.6
125.02441	3.7
125.09704	1.4
143.03467	1.1
159.35172	0.9
161.01265	0.9
161.04553	2.8
171.10266	23.4
179.05597	2.9
179.14401	1.2
183.13846	1.4
195.13875	14.7
197.11673	1.1
209.11821	22.3
211.13393	35.3
212.13724	2.6
227.12903	5.0
235.08261	5.1
253.09250	3.9
277.21759	11.4
295.22775	100.0
296.23135	10.6
335.17560	1.0
395.97177	1.0
397.13486	19.6
398.13580	1.6
407.19128	1.3
415.14572	20.5
416.14514	1.5
445.20859	1.3
447.22165	2.2
561.70587	1.1
621.32898	1.0
675.35541	1.3
693.32684	6.7
694.33673	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	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03428	0.6
57.14479	0.4
59.01373	2.1
61.98831	6.3
65.92230	0.5
66.92718	0.4
69.59518	0.5
70.05453	1.2
70.05849	1.0
71.01375	3.0
73.02949	0.5
75.49454	0.6
77.89996	0.5
80.02652	1.0
81.03462	1.4
83.01370	0.6
83.05019	3.8
84.02165	1.0
85.02966	0.6
87.00893	0.6
89.02431	2.0
93.92913	0.5
95.05028	0.5
96.95987	0.5
98.20591	0.7
101.02467	2.4
111.08012	0.4
113.02466	1.1
113.58886	0.5
119.03510	0.7
125.02464	0.6
125.09711	1.2
127.11279	1.0
135.08205	0.6
137.02464	0.6
146.04518	0.8
155.10791	0.6
161.04601	1.0
163.11278	4.7
165.09192	0.7
165.12839	2.3
171.10246	3.1
171.26788	0.5
185.11829	0.9
191.10844	1.0
199.13406	0.7
201.11316	21.6
202.11664	1.4
209.11818	100.0
210.12177	8.9
211.12303	0.6
225.11275	0.9
227.12915	14.1
228.13306	1.2
229.14619	0.7
235.08247	2.9
253.09239	8.3
437.20078	1.1
445.20847	1.7
517.09192	0.7
652.16919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
61.98829	34.8
66.88928	1.0
68.72417	1.1
69.35764	8.0
70.36926	1.0
78.95903	66.2
90.87976	1.0
91.68044	1.1
96.96954	5.6
98.20620	2.1
100.50462	0.9
107.01811	1.1
107.67870	0.9
111.08153	3.4
116.92786	0.9
152.99583	100.0
165.12830	31.3
166.13219	1.2
171.00629	12.4
173.98380	1.2
181.12335	1.8
183.13899	93.0
184.14197	4.8
191.10803	1.4
193.37379	1.2
199.13324	1.4
209.11882	4.8
225.11119	1.6
227.03212	5.0
227.12880	28.5
228.13252	1.2
240.58792	1.0
242.88565	1.0
245.04343	1.2
253.21677	2.4
255.23140	1.4
281.24826	1.0
345.11108	1.6
363.12183	7.5
437.09949	1.7
437.15817	27.3
438.15878	1.8
455.16873	85.7
456.17123	6.3
461.78693	1.1
465.13632	1.3
467.35706	1.2
474.49768	1.1
673.36456	2.6
691.38239	81.9
692.38733	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	693.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98836	8.5
69.18933	8.8
69.19338	2.9
78.91026	1.2
88.98798	1.8
89.02465	2.1
90.70803	1.2
93.77573	1.2
94.02986	18.4
96.96021	1.3
98.19918	2.8
109.02946	1.8
110.06093	2.1
124.04099	1.6
125.02477	5.2
136.04044	2.3
137.02438	2.3
138.05609	6.3
150.03233	2.0
151.03951	1.8
165.01924	1.7
229.09752	1.6
231.79561	1.3
237.05865	1.3
249.10341	2.3
250.11058	1.3
251.08170	2.1
251.11877	2.2
262.07388	1.9
263.08276	12.4
265.09842	4.2
266.02328	1.4
276.09076	2.8
277.09805	13.7
278.10614	7.6
279.11349	3.7
289.06973	2.0
291.07742	52.9
292.08249	5.8
305.09308	11.4
306.10083	61.4
307.10568	10.8
308.07886	1.6
321.12302	7.4
332.08459	1.4
338.09048	5.2
350.09073	89.6
351.09366	8.8
365.11359	17.7
366.11603	1.4
370.11755	3.7
383.12924	2.2
385.13620	2.2
386.15286	2.3
387.15448	1.7
390.14532	1.7
398.15280	3.6
410.14893	1.6
412.13107	4.2
414.14557	3.2
415.15396	2.1
416.16336	6.2
427.15634	2.6
428.16055	7.2
430.14215	7.9
436.15567	1.6
444.15564	4.5
445.16412	16.6
446.17169	9.1
448.14523	1.9
460.18820	5.2
474.20013	2.1
476.18506	2.5
477.15305	3.9
478.19815	5.2
489.15079	6.8
490.16193	18.1
491.16702	3.1
492.21436	5.3
493.21945	2.1
495.16602	2.2
505.18549	5.9
521.18170	7.8
522.18970	7.0
529.89893	1.4
537.21082	5.0
567.22290	3.0
585.23560	28.4
586.23804	4.3
587.25214	2.0
599.24976	4.8
601.22772	1.8
617.26074	20.0
618.26404	4.7
629.22406	13.1
630.22986	2.2
643.24121	1.5
649.28851	2.8
661.25134	100.0
662.25470	25.0
693.27502	31.6
694.28003	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72782	0.9
57.03447	2.4
58.00571	0.9
59.01384	6.4
59.53279	0.6
61.98842	7.9
69.15477	8.3
69.82270	0.7
71.01383	8.4
71.47304	0.7
73.02938	1.4
80.02691	1.5
81.03462	1.0
83.05021	4.2
84.02180	1.1
85.02948	1.6
87.00862	1.2
89.02444	4.2
95.04992	1.2
97.06574	4.8
101.02438	3.4
113.02436	1.9
118.42933	0.8
119.03485	0.7
120.88123	0.6
125.02390	1.2
125.09751	0.8
126.67391	0.7
130.25941	0.7
149.09749	0.9
151.11273	14.8
152.11627	1.1
161.04568	0.8
163.11249	3.4
165.12802	2.0
169.12338	74.1
170.12619	3.5
171.10258	3.0
183.13866	2.0
185.11723	1.1
191.10820	1.1
195.10246	2.7
201.11476	1.0
207.10138	1.0
209.11827	47.9
210.12225	4.0
211.13379	3.2
213.11316	9.1
225.11336	1.3
227.12869	5.4
229.14452	1.6
235.08205	2.0
253.09341	4.8
431.19211	1.6
449.20398	5.6
641.31836	2.4
645.68384	0.9
659.32831	100.0
660.33295	18.4
673.34564	1.4
691.35413	10.6
692.35516	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22433	0.5
50.96736	0.4
58.00593	0.8
59.01379	17.7
61.98838	4.2
67.20894	0.4
69.03454	1.0
71.01382	11.8
72.99306	0.7
73.02943	2.0
83.01379	1.4
85.02959	2.2
87.00880	2.4
89.02444	11.9
97.02953	1.7
99.00908	0.8
101.02431	7.7
113.02440	4.3
119.03477	3.0
125.02424	3.1
143.03485	1.5
161.04539	2.1
171.10248	0.8
179.05588	2.5
183.13893	1.3
185.11772	0.7
195.13893	7.1
196.14429	0.9
199.13614	0.6
205.12346	0.7
207.10243	0.5
209.11810	1.9
211.13374	2.0
221.06599	0.6
223.13385	5.3
225.21739	0.4
227.13072	0.8
235.08232	2.6
253.09178	1.3
256.13107	1.1
263.07611	0.5
265.21765	0.6
275.20142	4.4
287.07666	0.5
293.21210	100.0
294.21564	10.4
305.08728	1.0
323.09827	0.6
397.13516	21.3
398.14008	1.0
415.14554	24.8
416.14944	1.6
673.33795	0.8
691.35376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32783	0.3
55.01851	0.6
57.03438	0.9
58.00591	0.6
59.01381	18.8
61.98592	0.4
61.98836	5.0
69.03453	0.8
71.01379	14.4
71.01778	0.7
72.99313	0.8
73.02948	1.6
81.03440	0.4
83.01388	1.4
85.02938	3.1
87.00868	2.5
89.02445	12.2
94.25524	0.4
95.01395	1.0
95.05022	0.3
97.02961	1.6
99.00887	1.2
101.02436	10.1
109.02937	0.4
109.06586	0.5
111.04565	0.4
111.08138	0.6
113.02434	4.5
113.09752	0.5
119.03500	3.1
125.02426	3.2
131.03494	0.6
137.02446	0.5
143.03493	1.5
152.65839	0.4
161.04547	2.5
169.12189	0.5
171.10252	0.7
179.05650	2.6
179.14409	0.6
181.12332	0.5
183.13927	1.1
185.11800	0.8
195.13873	7.6
196.14600	0.4
199.13460	0.8
201.11336	0.4
205.12224	1.0
207.10266	0.9
209.11894	1.9
211.13470	2.5
221.06735	0.7
223.13388	6.1
224.13835	0.7
225.11311	0.5
227.12950	0.6
228.13506	0.7
235.08212	3.7
253.09209	1.3
256.13287	1.1
263.07663	0.6
275.20123	4.8
276.20517	0.5
277.09332	0.4
287.07632	0.7
289.06985	0.4
293.21222	100.0
294.21552	10.1
305.08643	1.2
323.09744	0.5
327.97287	0.5
397.13510	21.3
398.13684	1.6
415.14542	25.7
416.14606	2.1
673.34320	1.5
691.34686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21182	1.1
57.03432	1.7
59.01378	6.6
61.98822	6.5
69.13754	2.9
69.14177	9.8
71.01379	9.9
72.99330	1.1
73.02951	1.1
75.70295	1.0
83.01376	1.4
83.05021	4.3
84.02167	1.5
85.02946	2.3
87.00870	2.6
89.02441	6.5
95.05035	1.1
97.02992	1.2
98.19878	3.3
101.02437	6.5
109.02911	1.5
113.02438	3.8
123.04494	1.2
125.02454	2.2
125.09689	3.4
127.11266	3.5
137.02469	2.3
137.09737	1.8
138.08707	1.2
151.68736	1.0
155.10744	1.8
161.02429	2.0
161.04562	2.0
163.11256	4.0
165.12849	10.4
171.10237	3.4
181.26581	1.2
183.13889	100.0
184.14241	5.0
185.11795	2.3
197.11702	1.7
199.09721	1.8
201.11316	50.1
202.11684	3.4
207.10240	5.7
209.11815	59.3
210.12231	5.6
211.13406	2.4
225.11293	2.4
227.12910	15.7
235.08202	4.9
253.09294	10.1
289.07169	4.6
339.16837	1.2
445.20871	1.7
463.21393	3.5
489.15482	1.8
542.97552	1.1
637.31952	3.3
647.32837	35.6
648.33698	7.4
655.32849	2.6
659.32220	2.1
673.34369	71.3
674.34894	16.0
691.35339	24.5
692.35516	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99390	1.4
53.00283	1.5
55.01862	2.6
57.03431	2.9
59.01371	9.8
61.98827	11.0
69.91626	1.5
71.01010	2.4
71.01382	38.7
71.05006	2.1
71.28329	2.0
73.02936	5.3
74.45124	1.5
81.03450	2.8
83.01376	1.7
83.05009	5.8
84.02138	1.7
85.02931	3.7
87.00880	3.9
88.98769	2.6
89.02443	6.1
92.75773	1.5
93.03471	1.5
95.05037	2.2
97.02943	5.2
97.06589	2.4
99.00880	11.5
101.02435	7.6
109.02972	1.6
109.06573	6.1
110.03732	1.9
113.02441	5.2
120.78482	1.6
123.04513	2.0
123.08202	2.5
125.02451	9.5
125.09721	7.4
127.11308	2.4
133.27104	1.5
135.08061	2.2
137.02390	2.4
143.03577	1.6
155.10794	3.0
161.02477	2.5
161.04501	3.3
161.09712	2.0
163.11250	17.3
165.01869	2.0
165.12813	7.1
169.12343	2.2
171.10272	35.3
181.12369	16.0
183.13895	38.8
185.11780	4.1
197.11783	6.6
199.13448	12.5
201.11337	14.9
207.10251	32.7
209.11815	100.0
210.12151	7.8
215.12813	3.9
219.57059	2.1
220.94817	1.5
225.11308	52.0
226.11652	3.5
227.12891	14.9
235.08315	2.5
243.12413	15.1
246.71974	1.6
251.12724	1.8
253.09297	14.8
289.07230	2.5
291.19525	2.9
369.13345	2.2
461.20279	7.0
463.21838	3.7
479.21326	6.7
487.13882	4.5
507.15244	1.6
617.32025	2.2
635.31128	2.7
645.33130	5.9
653.31744	2.7
657.32153	2.4
671.32910	9.4
689.33801	97.5
690.33820	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.0
61.98833	2.1
69.03474	0.6
71.01374	6.1
83.01392	0.9
83.05035	1.0
85.02953	1.7
87.00880	1.1
89.02458	3.9
95.01385	0.8
97.06582	1.4
100.19364	0.7
101.02444	4.3
111.08165	1.2
112.62567	0.6
113.02473	2.2
119.03498	1.1
147.59828	0.6
161.04584	2.0
165.12860	8.5
171.10243	1.5
183.13896	92.5
184.14211	6.2
193.12326	3.2
199.09755	0.9
207.10284	1.0
209.11780	4.4
211.13393	100.0
212.13713	5.8
215.12894	4.2
227.12891	5.6
235.08295	3.2
253.09276	6.8
419.22507	1.6
445.20789	2.1
447.22446	4.0
463.22061	3.8
562.07410	0.7
639.33392	0.6
657.34888	93.0
658.35236	18.2
689.37787	7.8
690.37701	1.4
704.80890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63132	0.8
59.01369	2.1
61.98831	34.2
63.99236	1.1
71.01379	4.1
71.51132	0.8
73.02934	2.0
78.95897	4.7
109.06603	1.0
125.02429	1.1
125.09727	0.8
128.20143	0.9
136.63463	0.7
152.99571	2.4
158.52756	0.7
169.32683	0.7
171.10278	3.0
201.11317	1.7
207.10257	1.2
209.11815	10.3
210.12112	2.4
211.13380	1.5
223.13266	0.8
225.11310	2.4
227.12804	1.6
253.09315	0.9
293.21057	1.4
296.20206	0.9
422.13153	0.9
438.13016	0.8
451.14288	0.9
452.14783	3.1
480.13992	1.1
481.14746	5.1
495.16785	11.0
496.17023	2.7
508.17322	0.9
523.19373	0.8
526.14886	1.1
535.15771	1.0
536.16718	2.2
540.16290	2.2
551.19403	32.1
552.19659	7.1
554.18811	2.5
567.19153	1.0
572.15540	2.3
586.16815	2.6
595.18274	4.3
627.20953	100.0
628.21222	26.1
630.21277	3.5
659.35529	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	691.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74721	0.7
55.01868	0.9
57.03444	4.4
59.01368	3.3
61.07122	0.7
65.98515	0.6
67.62211	0.7
70.25652	1.4
70.26009	3.0
71.01386	7.1
73.02948	3.5
74.71908	0.7
81.03437	3.4
83.01385	5.3
85.02950	3.6
93.03461	1.6
95.01373	1.6
95.05035	4.0
97.02946	7.8
99.00870	1.3
101.02450	5.3
103.89796	0.8
107.05004	1.0
108.02165	2.1
109.02950	28.7
109.03699	1.6
110.03323	1.3
111.04500	0.8
113.02437	3.0
121.02982	4.3
122.03737	1.6
123.03628	1.0
123.04523	18.6
125.02445	26.9
126.02805	1.3
133.02934	1.0
135.04503	2.6
137.02437	16.8
139.04005	3.7
145.02887	1.2
146.03705	2.5
147.04427	1.4
149.02408	4.3
149.03514	0.8
150.03259	1.3
151.04010	9.7
159.03171	1.0
159.04495	4.4
160.05240	1.0
161.02402	2.4
161.04547	3.1
161.06052	6.6
162.03198	3.3
163.03951	2.4
164.01175	7.3
165.01910	12.7
167.03441	2.6
173.02409	0.8
173.06097	0.9
174.03203	1.4
175.03978	3.3
175.07628	2.4
177.01791	0.8
177.05453	1.1
179.03505	6.4
185.06062	1.7
187.04015	6.3
188.04755	3.9
189.74664	0.7
201.05544	1.5
202.06337	1.6
203.03517	0.9
203.07097	15.6
205.05057	8.7
217.05081	1.2
217.08636	1.7
221.08171	4.0
227.07097	1.9
229.04980	1.1
235.09784	1.8
239.09160	1.3
245.08153	19.3
246.08521	1.1
269.10226	6.9
287.05399	0.8
289.07166	100.0
290.07437	7.5
325.06979	0.9
383.11526	2.0
401.14557	34.2
402.14594	2.7
521.13983	1.0
530.48578	0.9
539.15588	4.2
580.73346	0.9
673.55188	0.9
691.20343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4322
Annotation	CHEBI:67332
Peak:m/z	Relative Intensity
51.12064	0.5
52.51771	0.6
57.03449	1.6
59.01367	2.7
71.01378	4.1
73.02927	1.2
78.95898	3.2
83.01387	1.1
83.05032	0.9
85.02965	1.2
87.00866	1.3
87.91051	0.7
89.02425	1.8
95.05001	0.9
97.06590	6.5
101.02430	3.7
113.02431	2.0
119.03523	0.7
125.09834	0.6
145.05066	0.8
151.11281	15.0
152.99609	1.8
156.47858	0.7
161.04514	1.2
169.12329	42.8
170.12675	2.1
173.19356	0.7
182.60799	0.6
195.10278	3.3
210.56929	0.7
213.11362	4.7
229.32207	0.7
235.08188	1.9
253.09238	2.1
255.23271	77.8
256.23627	5.7
279.23135	0.9
281.24915	0.9
295.22751	0.9
391.22656	0.6
431.18872	1.5
441.10034	0.7
449.20041	1.7
687.43182	100.0
688.43610	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	689.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
58.00589	1.9
59.01377	6.2
61.98837	5.7
69.03455	0.7
69.20168	0.7
69.56501	3.4
71.01380	9.3
71.33924	0.6
72.03724	0.6
72.99326	1.1
73.02946	3.6
74.86124	0.7
80.02676	1.8
81.03461	1.5
83.01374	1.2
83.05020	5.3
84.02168	1.3
85.02951	3.0
86.33673	0.6
87.00874	2.5
89.02435	3.6
93.03450	0.6
95.01379	1.1
95.05015	2.1
97.02943	2.5
98.19894	1.1
99.00870	1.1
100.34605	0.6
101.02441	4.4
107.50990	0.6
109.02933	1.2
109.06614	3.1
110.03732	0.8
111.04446	0.7
113.02438	2.5
119.03498	1.1
123.00842	0.8
125.02461	2.9
125.06081	1.0
125.09692	1.9
127.11282	2.6
135.08101	1.6
137.02463	0.6
139.07608	1.1
143.03496	1.5
145.05061	1.2
149.99551	0.7
151.11177	0.7
155.10786	1.2
161.04572	2.2
163.11302	7.7
165.09221	0.9
165.12823	3.0
168.00638	1.2
171.10263	48.7
172.10623	2.4
175.04042	0.6
179.10802	1.2
181.12347	2.2
185.11827	1.9
189.09180	2.0
191.10806	0.9
197.11809	1.1
199.09702	0.9
199.13419	2.2
201.11311	20.5
202.11685	1.2
207.10242	10.9
208.10478	0.9
209.11815	100.0
210.12140	5.9
215.10841	0.7
215.12881	2.1
225.11310	31.6
226.11575	1.6
227.12872	15.7
228.13138	0.9
235.08165	4.8
236.08315	0.8
243.12350	1.7
251.12923	2.2
253.09286	11.1
263.12894	1.2
269.04630	1.9
269.13870	0.8
270.04959	1.1
299.41122	0.6
443.19073	1.2
445.20535	0.7
461.20383	4.2
462.20175	0.7
485.66830	0.6
626.15961	1.5
653.31732	2.7
671.32825	2.7
676.83929	0.7
689.33765	3.8
690.33972	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35498	0.7
53.70680	0.9
55.01865	1.1
57.03429	1.7
58.00599	0.9
59.01373	8.6
61.98592	0.8
61.98835	9.8
65.42134	0.7
68.66533	0.7
69.03452	2.7
69.36773	0.9
71.01384	8.0
71.05006	1.5
72.99304	1.1
73.02937	2.0
75.14894	0.8
80.02666	1.3
81.03436	1.7
83.01405	1.1
83.05037	4.4
84.02175	1.2
85.02954	2.1
87.00858	1.8
87.69446	0.8
89.02429	3.6
95.05016	1.7
97.02946	3.6
97.06580	1.2
98.19921	2.0
99.00900	5.1
101.02424	5.4
108.02097	0.8
109.02955	1.0
109.06560	3.3
110.03764	1.1
111.04519	1.4
112.81761	0.8
113.02422	2.7
119.03503	1.3
121.07383	1.0
123.04530	1.1
123.08143	1.5
125.02472	1.7
125.09699	3.8
135.08133	1.5
137.02393	1.8
151.07603	0.8
151.11218	1.8
153.12801	1.1
161.04562	1.4
161.09731	3.1
163.11292	7.7
165.12848	1.8
169.12268	1.2
171.10286	11.4
177.09219	0.8
179.10794	6.4
181.12299	7.8
189.09230	1.1
191.10683	0.9
197.11830	40.9
198.12086	2.6
199.13391	9.3
201.11255	2.3
205.08629	1.4
207.10271	19.0
209.11821	49.8
210.12166	2.9
213.11450	0.9
217.24300	0.9
223.09700	3.0
225.11299	30.6
226.11707	2.0
227.12904	6.8
234.36507	1.1
235.08156	3.2
241.10789	2.8
243.12355	5.4
253.09344	5.6
289.07047	1.1
459.18707	1.0
461.20316	3.7
477.19763	1.3
479.20782	1.0
651.29993	1.2
669.30841	6.3
670.32434	1.0
673.26172	0.9
674.01746	1.1
687.32208	100.0
688.32654	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68420	0.8
59.01358	2.3
61.52926	0.8
61.98832	1.6
65.19583	0.8
69.03444	2.5
78.95902	40.3
96.96952	2.6
110.98521	2.4
134.94829	0.8
152.99591	45.3
167.01187	1.1
167.10760	3.6
171.00613	3.7
179.10789	1.6
179.14407	3.9
191.21756	0.8
195.13878	12.7
205.12325	11.3
223.13385	69.5
224.13699	4.4
227.03259	5.3
245.04343	1.0
253.21703	27.0
254.22003	2.5
255.23282	15.7
256.23608	1.8
279.23224	3.2
280.23703	4.2
281.24820	17.4
282.25143	2.5
295.22614	0.9
359.12650	5.6
391.22528	1.1
433.16263	3.2
451.17371	100.0
452.17682	10.7
483.27185	1.4
687.38776	29.8
687.49414	2.3
688.38879	6.1
688.49194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.6
59.01380	14.2
61.98833	12.1
64.01737	1.2
67.88122	1.2
68.99800	4.5
69.03438	1.7
71.01378	12.0
71.52176	2.0
72.78172	1.3
72.99303	2.2
73.02917	2.1
80.02676	1.4
81.03449	2.1
83.01387	2.5
83.05028	7.8
85.02935	3.7
86.48896	1.4
87.00878	3.2
89.02428	4.8
93.03425	4.0
95.01385	3.0
95.05035	2.5
96.96007	3.1
97.02942	3.1
97.06567	2.2
101.02423	5.9
107.01369	3.5
107.05015	1.3
109.02946	3.0
109.06576	4.0
111.00935	1.2
111.04500	6.0
113.02426	5.1
113.09672	1.3
119.03490	2.4
123.00887	1.7
123.04523	7.4
123.08153	3.6
124.01642	4.5
125.02448	18.2
125.09716	4.7
125.16763	1.6
134.45578	1.3
137.02481	6.5
137.06079	1.7
149.99554	4.4
151.00287	1.7
151.11287	2.9
153.09204	1.4
161.04567	2.3
161.09700	3.7
163.11284	6.9
165.01877	2.9
165.12930	2.5
167.03477	19.9
168.00618	6.1
169.01463	7.8
169.12375	8.7
171.10266	41.8
172.10518	2.0
179.05525	2.0
179.10733	5.9
181.12234	2.9
183.13850	2.7
185.11786	4.6
191.10814	1.7
197.11826	21.7
199.09833	2.0
199.13359	1.7
201.11230	3.7
205.08647	4.9
207.10255	8.6
209.11819	100.0
210.12115	5.5
213.11314	3.7
215.12868	1.4
221.11797	1.8
223.09755	22.9
225.11316	9.2
227.12886	19.3
235.08115	4.1
241.10802	2.5
253.09251	8.8
289.18063	7.9
296.20706	1.5
301.07379	2.1
301.16376	2.3
373.26001	1.9
397.13330	3.2
408.83673	1.6
415.14584	2.8
459.18527	4.0
461.20160	2.1
651.29919	5.4
669.31177	8.2
670.32269	1.8
687.19598	5.4
687.32111	70.4
688.32544	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01379	6.4
61.98833	5.0
62.66416	0.6
63.20020	0.6
69.03452	2.9
69.16332	7.1
71.01383	6.8
71.05023	1.9
72.99323	0.8
73.02943	1.5
80.02672	0.7
81.03436	1.7
83.01391	1.5
83.05019	4.8
84.02161	1.1
85.02946	2.2
87.00864	1.0
89.02459	3.3
95.01367	0.8
95.05005	1.3
97.02941	1.7
97.06596	0.8
99.00878	2.6
101.02447	3.6
101.39536	0.8
102.43736	0.6
109.06609	1.3
110.03706	0.9
111.04508	0.9
113.02421	1.8
116.43518	0.6
119.03487	0.9
123.04533	0.8
123.08097	1.6
125.02403	1.3
125.06097	0.8
125.09716	3.7
137.02412	1.0
145.05000	0.9
149.09676	1.0
150.79402	0.7
151.11298	2.5
153.12842	1.9
161.04590	1.2
161.09741	3.8
163.11287	6.2
164.11661	0.7
164.72594	0.6
165.01953	1.2
165.12823	1.8
169.12366	0.7
171.10278	5.9
179.10771	7.2
180.11182	0.7
181.12341	4.3
191.10672	1.1
195.10307	0.8
197.11823	53.5
198.12158	2.6
199.13358	2.5
201.11427	1.3
205.08725	0.8
207.10242	8.0
209.11818	53.2
210.12181	3.5
223.09770	2.9
225.11339	11.3
227.12865	5.9
235.08084	1.1
241.10835	2.3
243.12419	3.5
253.09283	3.5
286.38226	0.7
368.18408	0.7
424.42365	0.7
459.18668	1.7
461.20374	2.2
477.19608	2.7
479.21494	0.6
525.23816	1.3
615.29718	1.1
651.30084	1.5
669.31329	2.9
687.32239	100.0
688.32562	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	686.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98829	100.0
62.66050	0.2
62.98529	0.3
71.01370	0.3
72.69172	0.2
77.60275	0.2
78.32527	0.2
78.95893	0.3
88.13872	0.2
104.17987	0.2
109.06537	0.2
152.99724	0.2
171.10281	1.0
201.19777	0.2
207.10356	0.5
209.11795	1.3
223.09802	0.2
225.11404	0.4
227.12885	0.2
255.23300	0.3
274.91312	0.2
279.23358	0.2
499.55963	0.2
626.34723	0.3
687.33118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
61.98829	100.0
71.01398	0.2
71.06902	0.2
78.54986	0.2
78.95911	0.5
83.63184	0.2
94.66731	0.2
152.99640	0.4
168.40788	0.2
171.10268	1.6
172.10602	0.5
199.40298	0.2
205.08762	0.2
207.10329	0.3
209.11754	1.4
223.09782	0.4
225.11340	0.4
255.23410	0.4
279.23212	0.2
281.24866	0.3
294.21640	0.3
667.76160	0.2
675.27094	0.2
687.32202	0.5
690.99976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93614	0.4
59.01375	1.6
61.98829	0.8
69.03438	0.5
71.01392	1.2
71.05010	0.7
74.98573	0.4
77.03963	0.9
77.05055	0.3
83.01379	1.3
93.03468	1.7
95.01357	0.9
95.05006	0.6
96.95997	3.9
97.02938	4.5
98.20635	1.3
108.02220	0.5
109.02966	1.0
116.92850	0.8
119.05003	1.4
121.02960	6.3
123.00895	0.7
125.02444	1.9
135.04503	0.4
137.02443	18.7
138.03036	0.5
139.04007	9.9
140.04404	0.5
151.03999	0.5
153.01724	0.4
153.05588	1.0
161.02440	0.8
163.00333	3.2
163.03987	2.2
164.01155	1.5
165.01923	100.0
166.02246	3.9
168.00760	0.4
175.03937	0.5
176.08131	0.4
179.03488	0.6
182.02213	1.0
183.02908	0.9
189.01927	0.8
193.05115	0.6
197.04547	3.5
207.02925	2.3
209.00912	2.4
229.57420	0.4
258.20551	0.4
268.27579	0.3
270.01825	0.4
315.01459	0.8
327.07199	10.1
328.07367	0.6
330.03787	1.4
336.19122	0.4
341.08820	2.3
345.06207	5.3
345.08340	8.2
346.06216	0.8
353.05057	1.9
359.09918	1.0
369.08231	1.1
387.07080	0.7
507.11374	18.0
508.11526	2.1
549.12500	0.6
634.22778	0.4
635.91528	0.4
687.23273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01369	3.2
61.98832	2.1
69.36131	6.2
71.01373	2.0
81.03441	1.1
83.01395	4.3
85.02940	1.2
87.54287	0.7
89.02425	0.9
93.03455	2.4
95.01361	1.8
95.05037	1.1
96.96063	0.9
97.02967	4.3
101.02448	1.0
107.05035	1.2
108.02159	5.8
109.02950	13.6
109.27124	0.8
113.02439	0.9
115.10826	0.8
121.02948	6.0
122.03738	8.6
123.00903	0.8
123.04530	8.5
124.01637	2.6
125.02425	5.5
133.02930	1.2
134.03767	1.8
135.04546	3.9
136.01677	1.1
137.02444	21.9
138.03201	1.5
139.03972	2.9
143.05035	0.8
145.02910	1.4
145.45381	0.7
146.03728	1.8
147.04495	1.7
149.02415	7.3
149.06108	1.9
150.03247	1.6
151.00349	1.3
151.03983	4.9
152.01157	1.6
153.01923	1.6
154.02658	1.0
157.06569	1.0
159.04480	3.1
160.05243	0.9
161.02449	4.9
161.06111	7.5
162.03195	2.4
163.00371	1.1
163.04016	8.3
164.01166	4.9
164.04765	2.6
165.01933	15.4
165.05508	1.5
166.02527	0.8
168.00572	1.1
173.06097	1.0
174.03131	0.9
175.04010	2.0
175.07660	1.0
176.01123	0.7
176.04585	0.8
177.01923	5.0
177.05585	1.8
178.99870	0.8
179.03473	2.7
185.06079	1.6
187.03992	3.6
188.04799	0.9
189.01904	1.8
189.05667	0.8
190.02722	2.6
191.03479	7.0
192.03989	0.8
201.05525	3.3
202.06386	2.0
203.03477	2.1
203.07106	5.2
204.04295	1.4
204.07759	1.0
205.05040	8.4
213.05681	1.3
215.07024	1.8
226.06258	1.0
227.07060	1.9
228.07904	1.3
228.47960	0.7
229.04991	1.6
231.02863	1.6
236.71313	0.7
239.07127	1.7
241.08643	1.8
244.07372	1.2
245.08154	1.1
247.06143	1.4
253.05075	0.9
255.06548	1.7
269.08109	1.4
270.09290	0.8
271.06049	0.8
283.06036	1.2
283.09851	0.9
285.07678	2.8
288.06354	0.8
289.07187	1.3
297.07550	1.6
298.08456	1.6
299.09186	2.0
327.08716	2.8
340.09268	1.0
399.11234	0.8
407.14902	1.1
407.76807	0.7
487.33450	0.8
523.18121	0.9
535.18115	4.4
536.18341	1.0
643.23914	5.1
687.22888	100.0
688.23315	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	687.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19431	1.3
55.82482	1.4
57.03465	1.7
59.01375	3.7
61.98839	2.9
69.98087	4.8
69.98494	3.9
71.01396	3.9
83.01389	4.6
85.02963	2.2
87.00886	2.0
93.03448	3.5
95.01393	2.9
96.95983	3.6
97.02936	3.0
98.20675	2.3
101.02456	1.5
108.02172	31.3
109.02950	26.2
113.06037	2.0
116.45844	1.7
119.05045	1.9
121.02975	9.1
122.03778	7.4
122.15366	1.7
123.00884	1.5
123.04536	9.7
124.01665	3.6
125.02419	9.8
133.02989	3.1
133.45317	1.5
134.03688	4.4
134.54070	1.8
135.04475	6.9
137.02444	21.5
138.03235	2.4
139.04016	2.9
145.02942	2.2
146.03734	3.2
147.04477	2.1
149.02428	9.3
149.06020	1.8
149.99553	1.7
150.03220	8.5
151.00359	6.5
151.04051	8.5
152.01152	33.0
153.01884	9.6
154.02669	2.1
159.04510	4.7
160.01674	3.8
160.05278	1.7
160.83461	1.5
161.02419	5.4
161.06032	4.4
162.03192	2.2
163.03931	7.5
164.01079	3.8
165.01930	19.0
165.05560	5.3
167.03409	1.6
168.00558	2.3
175.03987	7.7
175.07550	1.7
177.01907	5.1
177.05533	1.7
179.03471	4.0
181.04910	1.7
187.03966	2.3
188.04735	2.4
190.02840	1.9
191.03439	7.5
197.76146	1.9
201.03879	2.5
202.06400	1.8
203.07088	3.0
204.00909	1.8
205.05074	7.9
215.07008	1.9
224.10832	1.6
227.07123	2.3
237.07991	1.9
237.22256	1.7
243.06577	1.8
271.06503	1.6
285.03998	2.7
285.07730	1.8
298.08408	1.8
299.09113	1.9
301.42749	1.8
307.54364	1.6
312.00613	1.7
327.08688	3.3
341.10110	2.1
389.25342	5.6
449.10822	4.7
489.10370	1.8
490.11243	3.5
491.12454	1.8
523.18073	2.1
535.18091	7.1
643.23981	3.2
687.22241	100.0
687.32520	19.9
688.22632	20.9
688.33490	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	684.469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35033	1.2
53.58402	1.3
59.01362	2.2
61.98830	100.0
65.26508	1.1
78.95911	10.6
82.61082	1.2
84.20372	1.3
96.96956	1.3
110.98523	6.0
149.70305	1.4
152.99588	4.1
167.01083	2.4
255.23285	20.6
256.23624	8.8
277.21683	23.0
278.22034	16.6
279.23334	22.1
281.24835	5.6
417.24603	1.5
449.26431	2.6
642.79779	1.7
684.46692	4.6
685.47467	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	685.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
56.26347	2.2
57.03434	8.6
59.01381	23.7
60.33907	2.0
63.64166	2.0
67.01873	3.7
68.99815	2.6
69.03455	12.2
69.60468	9.2
69.60879	2.4
71.01383	25.3
72.99317	5.5
73.02950	13.9
74.03291	1.7
81.03442	4.6
83.01368	11.4
83.05041	3.0
85.02951	83.1
87.00879	100.0
89.02433	5.7
94.59050	1.9
95.01390	30.3
97.02944	25.8
99.00846	2.9
101.02435	5.6
103.04018	12.2
109.02905	5.6
111.00881	29.8
113.02457	45.6
115.00378	12.2
125.02400	2.5
127.03997	8.8
129.01918	4.4
139.00377	30.6
155.03516	6.2
157.01428	28.2
173.04536	3.7
175.01003	3.9
175.02473	57.7
179.05640	3.4
199.02434	5.6
204.34160	1.8
217.03542	37.1
233.88309	2.0
259.04691	4.9
259.08170	2.4
303.07166	25.7
304.07428	3.0
309.07788	2.1
321.08200	7.3
341.10867	6.7
342.11234	3.3
343.11282	3.5
345.08252	15.2
363.09329	5.5
479.10205	3.9
521.11578	21.0
522.11987	2.6
539.12714	2.9
581.13733	15.6
604.95905	2.0
625.15973	6.4
667.17255	19.3
685.18347	28.8
686.18359	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	686.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60852	0.9
59.01373	1.1
63.55213	0.9
70.03015	1.1
71.01366	5.1
78.13423	0.9
81.87694	1.0
88.04039	74.1
89.04356	1.7
91.05524	2.1
92.41723	0.9
114.01972	5.5
115.00359	12.2
126.85649	0.9
132.03024	100.0
133.03365	1.2
135.04526	4.1
164.07237	1.1
185.45357	1.1
206.08153	2.9
209.99316	0.9
229.31584	1.2
230.15260	1.0
250.07185	89.5
251.07578	5.9
362.17047	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	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02497	0.6
57.03448	3.7
59.01383	5.4
61.98830	2.8
69.03435	0.8
71.01397	3.6
77.98485	0.7
78.95889	1.1
83.05012	0.8
85.02983	0.7
87.00919	0.6
89.02457	3.6
95.05020	0.8
97.06584	14.5
98.20741	1.4
101.02456	4.5
106.36523	0.6
113.02451	1.7
123.08147	5.8
125.09724	100.0
126.10054	3.4
143.10782	2.0
161.04552	1.3
169.08693	2.7
171.10280	4.7
179.05524	1.0
179.74889	0.7
187.09752	66.6
188.10109	2.5
211.09821	0.9
223.13329	0.8
229.34401	0.9
253.09271	1.8
255.23244	0.6
261.13501	1.1
262.02640	0.7
267.89832	0.7
277.21738	13.9
278.22134	1.7
293.21198	1.5
348.84799	0.6
405.17773	5.7
423.18723	20.8
424.19019	1.5
447.25455	1.2
521.34717	0.7
683.40088	82.3
684.40405	19.7
698.51904	0.6
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
50.54549	0.8
57.03445	5.9
59.01378	4.6
61.98827	7.1
62.97018	0.7
69.03432	0.8
71.01373	3.6
73.02949	1.3
73.05972	0.7
78.95907	1.5
80.02671	0.8
83.05013	1.3
85.02934	1.5
87.00851	1.8
89.02444	1.1
89.70095	0.9
95.05017	1.4
97.06584	13.8
98.20677	2.8
101.02443	3.9
113.02450	1.6
123.08160	9.8
125.09722	79.4
126.10017	1.6
145.05026	1.2
161.04536	1.2
169.08762	1.1
171.10265	2.8
187.09747	32.0
188.10051	1.1
223.13371	2.2
235.08215	3.4
253.09236	3.5
255.23352	1.1
277.21710	42.8
278.22052	4.1
291.19543	1.7
293.21329	1.3
405.17587	5.5
423.18567	6.2
491.87576	1.0
538.38568	0.8
562.62054	1.0
683.40070	100.0
684.28650	1.7
684.40369	22.2
684.51721	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	684.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01123	0.5
57.03434	0.9
59.01360	1.1
65.17136	0.6
66.73088	0.6
68.26138	0.5
71.01382	5.3
71.51908	0.7
83.01396	0.6
88.04037	74.4
88.98804	1.6
89.04302	0.7
91.13940	0.7
94.35701	0.5
94.57397	0.6
96.99310	1.2
97.02924	0.8
107.01408	0.9
109.02951	2.6
114.01956	6.1
115.00378	11.9
123.04535	1.7
124.01732	0.6
125.02441	20.6
126.02715	0.6
126.09272	1.5
127.07646	7.5
132.03023	55.5
133.03418	0.8
137.02426	2.4
145.02985	1.1
147.59935	0.5
149.02486	0.8
150.03223	0.6
151.00331	0.7
151.04024	0.8
165.01888	1.1
169.01422	30.4
170.01694	1.0
176.01256	0.6
179.03539	0.7
193.01346	0.9
198.11362	1.9
201.05501	0.6
203.07088	1.6
204.28802	0.6
205.04974	0.9
224.09296	0.8
242.10315	100.0
243.10678	4.8
245.08162	2.2
259.06122	0.6
269.04565	1.0
271.06018	2.2
289.07162	13.2
290.07452	1.2
441.08246	19.0
441.14450	0.9
442.08545	1.7
465.51950	0.6
534.17194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	63.7
70.52655	49.2
79.99176	65.0
85.87512	50.2
102.07857	54.8
110.30811	54.1
123.32410	49.7
131.93549	53.3
175.49834	50.8
255.23267	100.0
353.24515	54.1
407.35419	48.7
706.98810	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17864	48.1
51.58709	58.3
51.84391	52.5
55.02084	48.8
58.73596	53.6
61.98832	100.0
72.24679	60.2
97.62711	64.4
127.14014	51.7
164.79001	56.3
191.67560	57.5
428.31003	66.6
476.82465	64.8
505.30087	68.6
643.01819	66.0
657.19348	62.1
706.50568	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.82624	0.8
78.95924	1.3
86.04141	0.3
87.68730	0.3
110.98566	0.3
167.01117	0.5
231.63602	0.3
244.64168	0.3
253.21954	0.4
255.23238	3.3
271.63544	0.4
277.21704	6.8
293.21231	0.3
423.25531	0.5
423.78656	0.3
505.05786	0.3
676.70416	0.3
683.46655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46130	0.5
55.01843	0.5
55.29977	0.5
57.03439	1.1
59.01375	5.0
61.98827	5.2
66.99058	0.5
69.03451	4.6
71.01382	5.1
71.05006	2.0
71.40623	0.8
71.41002	0.5
73.02950	1.4
83.05006	1.0
84.41953	0.5
85.02953	1.2
89.02448	2.4
95.05016	0.5
97.06573	1.0
99.00877	0.6
101.02460	3.2
106.63402	0.6
109.06584	0.9
113.02463	1.4
119.03464	0.7
123.08163	1.1
125.02421	1.1
125.09730	2.2
137.09595	0.6
149.09732	0.8
151.11263	1.7
153.12888	1.2
161.04529	1.0
161.09711	3.0
167.10713	1.4
171.10281	1.4
179.10773	7.9
179.14383	1.9
180.11093	0.5
185.11870	0.7
195.13916	6.9
197.11823	62.1
198.12186	3.7
201.11163	0.6
205.09091	0.5
205.12354	3.7
209.11804	1.3
223.09749	1.8
223.13380	23.3
224.13734	1.4
235.08144	1.1
237.15007	1.0
241.10764	3.1
253.09279	2.4
277.21548	0.9
408.03616	0.7
421.26120	0.7
477.19672	3.5
526.69739	0.6
589.28296	0.5
683.32806	100.0
684.21637	1.2
684.33118	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
59.01378	44.8
61.81756	1.1
61.98806	2.5
63.67912	1.2
64.86092	1.3
69.03426	1.2
71.01376	14.6
72.99319	1.4
73.02946	4.0
76.65710	1.2
83.01355	2.1
83.05002	2.0
85.02943	4.4
87.00868	5.8
89.02432	5.5
95.01409	1.3
97.06580	1.4
98.20649	3.3
101.02460	8.5
109.06548	1.9
113.02447	7.0
119.03538	1.8
125.02460	2.0
135.08133	2.2
137.09705	1.5
145.05029	2.0
161.04547	4.7
171.10266	89.8
172.10634	3.2
195.13889	5.4
202.12210	1.4
211.13390	2.2
213.14873	2.0
223.13322	1.9
235.08162	11.8
253.09273	9.5
255.23450	1.7
265.18015	1.8
267.19434	1.6
275.16562	2.2
275.20126	5.7
277.21603	3.5
293.21240	39.1
294.21686	1.8
315.26794	2.5
325.25229	4.5
341.24731	3.5
343.26453	6.1
351.23068	2.3
359.25873	5.6
361.27319	3.0
369.24377	10.5
387.25378	42.3
388.25641	5.2
405.26419	28.9
406.26563	2.1
595.34216	1.9
623.34363	100.0
624.34705	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	683.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15471	0.6
55.01847	0.5
57.03442	0.8
58.00581	0.7
59.01380	16.5
61.98834	0.5
66.71726	0.6
70.67604	1.1
70.67918	0.6
71.01377	5.9
72.99301	0.5
73.02951	1.8
83.01394	1.0
83.04990	0.8
85.02958	1.3
87.00871	1.8
88.61834	0.5
89.02451	3.7
95.01412	0.7
101.02439	3.5
111.08147	0.5
112.82011	0.4
113.02445	2.8
119.03490	0.6
125.02449	0.6
125.09753	0.6
127.11280	1.3
129.44391	0.5
133.05115	0.5
135.90450	0.5
143.03552	0.6
145.05057	1.0
161.04558	1.8
171.10266	100.0
172.10605	4.4
177.12862	0.6
179.05614	1.0
195.13898	3.8
196.14667	0.5
213.14868	0.6
223.13342	3.1
235.08209	6.1
237.14845	0.6
253.09274	10.9
256.13147	0.5
275.20248	4.5
277.21484	0.7
293.21225	41.9
294.21591	3.7
315.27005	0.7
325.25668	1.1
341.24896	1.2
343.26309	1.3
359.26068	2.6
369.24335	2.7
387.25369	10.6
388.25845	1.2
405.26401	6.8
406.26825	1.0
407.19266	1.5
423.26819	0.6
539.78418	0.5
623.34369	29.5
624.34674	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54089	0.2
55.01895	0.2
57.03446	0.3
58.00613	0.2
59.01371	3.0
61.98821	0.5
70.92188	0.3
70.92528	0.3
71.01379	2.4
72.83389	0.2
73.02959	0.5
75.81989	0.2
83.01379	0.4
85.02943	0.8
87.00845	0.4
89.02442	1.8
101.02433	2.2
113.02439	1.7
119.03498	0.3
125.09702	1.0
127.11275	1.7
143.03514	0.2
145.05138	0.2
153.09181	0.4
161.04555	0.9
171.10263	100.0
172.10597	4.7
179.05595	0.3
195.13876	3.2
196.14571	0.4
205.12253	0.4
205.16135	0.2
223.13356	2.5
228.13739	0.3
228.48868	0.2
235.06050	0.3
235.08191	3.6
251.54550	0.2
253.09280	10.7
254.09532	0.5
256.13052	0.5
261.73065	0.3
275.20145	4.5
276.20401	0.5
293.21213	39.9
294.21579	3.3
310.67349	0.2
387.25473	0.3
405.26303	0.4
407.19165	1.7
529.29999	0.4
598.13281	0.2
623.34351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98829	100.0
62.04555	0.2
65.16183	0.2
69.32006	0.9
69.32437	0.5
71.01401	0.2
89.02431	0.2
93.82864	0.2
125.02489	0.3
135.04533	0.4
137.02501	0.2
151.04022	0.2
163.04045	0.2
179.03542	0.3
197.11906	0.3
209.11871	0.3
233.80386	0.2
253.09483	0.2
408.07773	0.2
448.19809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01383	3.4
61.98813	1.2
71.01379	1.9
71.50323	0.5
73.02948	0.5
75.56209	0.3
83.05054	0.4
85.02959	0.7
87.00880	0.4
89.02444	1.8
95.05032	0.5
97.06609	0.4
98.20290	0.5
101.02457	2.2
109.60001	0.4
111.08165	5.9
113.02439	1.1
113.09708	0.5
119.03480	0.6
125.02306	0.4
125.09701	1.1
127.11279	1.3
130.09984	0.3
137.09715	0.5
139.24205	0.4
145.05011	0.4
153.09160	0.4
161.04561	1.2
167.10774	1.6
171.10262	100.0
172.10612	4.4
177.12775	0.9
179.10796	1.1
182.92058	0.4
195.13898	5.3
196.14232	0.4
209.11852	0.4
211.13536	0.4
219.00795	0.3
235.08200	2.8
247.20674	1.5
251.16342	0.5
253.09244	7.9
273.18634	0.8
277.21829	0.5
291.19641	77.1
292.19965	6.0
407.19168	2.3
429.28809	0.4
509.27536	1.7
527.28534	4.7
528.28699	0.7
550.86035	0.4
681.37866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
57.54457	0.8
59.01371	1.2
63.56853	0.9
69.39426	4.2
69.39847	2.3
75.66871	0.8
77.26139	0.8
81.03450	2.7
83.01388	3.1
93.03445	2.2
93.73203	0.8
95.05033	3.5
96.96000	1.5
97.02955	6.7
98.20657	1.6
108.02261	1.1
109.02955	23.5
121.02907	4.5
122.03667	1.1
123.04523	17.3
125.02451	18.4
126.03685	0.9
135.04518	2.7
137.02429	12.4
139.03992	3.9
145.02917	1.8
149.02411	3.9
150.03249	1.8
151.04005	9.6
159.04510	3.2
160.05325	1.3
161.02432	2.0
161.06110	5.4
162.03229	2.0
164.01170	3.4
165.01878	3.9
167.03459	1.8
173.06007	1.4
175.04007	2.7
175.07620	1.8
179.03490	5.8
187.03998	5.3
188.04839	4.4
201.05518	1.7
202.06236	2.6
203.07144	12.7
205.05057	5.4
221.08148	3.7
226.03683	0.9
227.07101	2.6
245.08121	18.6
246.08533	1.5
252.11160	1.1
259.06085	1.2
289.07175	100.0
290.07516	7.2
351.17029	1.1
389.18143	3.4
407.63516	0.9
693.51685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	52.9
63.08260	25.9
65.56023	28.4
65.74689	28.6
78.95897	100.0
91.63026	25.2
117.87559	29.8
129.82877	26.2
136.16637	27.3
152.99625	35.1
171.10217	31.4
281.25113	47.8
517.25604	29.0
679.37628	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21646	0.2
54.22982	0.2
61.81307	0.2
61.98829	100.0
62.97058	0.2
62.98550	0.2
69.97081	0.8
92.42905	0.2
98.19973	0.3
109.02982	0.2
125.02457	0.7
132.42316	0.2
137.02458	0.3
151.00352	0.4
151.04012	0.3
159.83467	0.2
171.10393	0.3
197.14943	0.2
219.30589	0.2
269.04581	0.7
465.25302	0.3
538.81848	0.2
680.34448	0.2
681.25983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
59.19920	0.3
61.98837	0.4
66.29848	0.3
67.01881	0.3
70.90799	0.3
71.01379	0.4
71.28665	0.6
75.00874	0.3
82.02990	0.3
83.05013	0.7
85.02931	0.4
85.56302	0.3
94.02984	2.3
96.96036	0.4
98.02478	0.8
107.03708	0.3
108.04558	2.0
109.06589	0.3
111.92873	0.3
113.02407	0.4
120.04529	1.0
121.05421	0.3
122.06113	8.9
124.04028	1.5
134.06119	1.3
135.06924	0.4
136.04036	3.4
136.07677	9.7
137.02547	0.3
137.08003	0.5
138.05576	2.3
144.04521	0.4
146.06200	0.3
148.04005	0.5
150.04437	0.5
150.05597	9.5
151.06021	0.4
152.07196	1.6
159.11775	0.3
163.08794	0.5
174.05588	0.3
174.09192	0.6
175.05081	0.3
176.03563	0.5
185.07149	0.3
185.09683	0.4
186.09230	3.1
187.09795	0.4
188.10767	0.6
200.05864	0.5
201.06465	2.1
201.08292	0.4
202.07152	1.6
202.08810	1.0
202.12354	2.3
203.05884	0.6
203.07944	0.3
212.10732	1.7
213.06522	0.5
214.07167	1.6
215.08121	2.4
216.08942	0.4
217.09665	0.3
226.07571	0.4
227.08186	0.4
227.11935	0.3
228.10277	3.1
229.09790	14.0
230.12061	8.6
231.11713	0.8
239.08302	0.5
240.09082	0.7
241.09872	0.3
243.07716	0.4
244.08521	0.6
245.09282	5.4
245.12859	1.3
255.11403	3.8
257.09283	6.4
258.09933	1.6
259.10794	0.7
263.10406	0.8
273.12430	20.9
274.13110	1.3
275.10416	1.8
290.12677	0.4
291.13452	0.4
299.10309	0.7
317.11389	17.7
318.11697	1.4
334.11649	1.4
335.12454	100.0
336.12808	7.6
343.13000	1.2
399.23752	0.3
587.20514	0.4
619.24640	0.3
679.25488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.4
61.98820	5.3
69.19409	3.9
69.19841	5.4
71.01381	5.3
83.01373	3.1
85.02975	1.2
89.02460	4.4
89.24904	0.8
91.26363	0.9
93.03475	1.7
95.01382	1.5
95.05028	1.2
97.02933	3.2
98.13264	1.0
98.89339	0.9
101.02429	2.3
109.02941	7.3
116.92831	1.5
121.02932	4.0
122.03717	7.0
123.00723	1.0
123.04551	5.4
124.01654	2.2
125.02439	3.8
129.64928	0.9
134.03746	7.3
135.04518	2.3
137.01457	1.5
137.02443	20.6
138.03094	1.4
139.03961	2.0
149.02429	3.0
149.06108	1.5
150.03223	1.2
151.03970	2.9
153.01944	1.4
154.02689	1.3
161.02484	2.2
161.06021	1.9
163.04115	1.0
164.01120	3.4
165.01924	33.1
166.02266	2.5
167.03319	1.0
169.01346	1.3
175.04024	2.2
177.05478	1.5
178.02698	1.2
179.03453	4.2
187.03961	1.2
193.05026	9.2
201.05591	1.5
203.07137	4.8
205.05008	6.2
231.02934	2.2
244.07365	1.3
289.07208	1.9
419.22144	2.4
420.22729	1.0
491.23126	1.3
599.28839	1.1
604.51923	1.1
643.27545	100.0
644.28052	18.6
679.21948	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	679.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80704	0.8
59.01382	6.5
61.98827	13.3
70.30434	1.0
71.01389	5.7
71.52182	1.1
71.52644	1.0
72.99299	0.9
73.02949	1.1
83.01390	3.2
85.02950	1.3
89.02438	2.5
93.03460	1.2
96.95995	1.1
97.02947	2.9
101.02427	3.8
108.02144	2.3
109.02930	7.8
113.02451	3.1
116.92851	3.4
119.05022	1.8
121.02931	2.9
122.03743	7.1
123.04504	6.3
124.01630	2.3
125.02416	5.2
135.04515	1.8
135.81021	0.9
137.02441	20.3
138.03105	1.4
139.04002	1.5
145.02998	1.3
149.02405	3.1
150.03230	1.3
151.03978	3.5
152.01096	2.2
154.02658	1.4
159.04477	1.1
161.02499	2.0
161.06064	2.8
163.00357	0.9
163.03970	3.6
164.01196	5.3
165.01927	31.9
166.02332	1.6
171.10257	1.3
173.06145	1.4
175.04027	1.8
177.05569	1.6
179.03505	4.2
187.04030	1.3
188.04758	1.4
190.02736	1.0
201.05525	2.4
203.07141	5.6
205.05080	7.6
219.06581	1.2
229.56587	1.1
244.07356	1.2
247.05998	1.1
248.91066	1.0
270.05173	1.0
288.06357	1.5
289.07181	1.4
419.22168	3.7
479.22891	1.9
491.22885	3.3
513.16089	1.2
519.22217	1.1
643.27570	100.0
644.27954	18.0
679.22235	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	679.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.9
61.98827	9.2
63.01792	1.0
69.18864	4.4
69.19284	5.0
71.01386	4.8
72.99345	1.5
81.95251	1.0
83.01383	3.7
85.02940	1.7
89.02436	3.5
93.03431	2.3
93.15035	0.9
96.96025	1.6
97.02930	2.7
99.00895	1.1
101.02447	2.7
108.02164	3.0
109.02950	8.6
113.02444	2.5
116.92805	1.7
121.02931	3.4
122.03764	7.6
123.04513	4.2
124.01719	2.0
125.02444	5.0
134.03770	8.0
135.04523	1.5
136.01628	1.6
137.02435	22.2
139.03972	2.0
146.03673	2.1
146.64195	1.0
149.02423	3.5
149.06100	1.5
150.03075	1.5
151.03978	4.5
159.04463	2.4
161.02428	2.4
161.06085	3.4
162.03099	0.9
163.03995	2.0
164.01143	3.5
165.01921	34.1
165.05453	1.3
166.02388	1.5
175.03987	1.6
175.07668	1.3
177.05560	2.1
178.02588	1.4
179.03465	4.4
187.03934	2.3
193.05046	7.9
203.07047	4.9
205.05067	8.3
219.06561	1.3
247.06087	2.4
268.63416	0.9
289.07022	2.1
405.31412	1.1
419.22232	3.7
479.22131	1.2
491.23087	1.8
527.75964	1.3
599.28870	1.2
643.27594	100.0
644.27899	20.1
679.22449	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	677.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06543	0.2
58.02966	0.2
61.98808	0.2
67.09941	0.2
79.14645	0.2
80.05063	0.5
81.03455	8.5
82.03780	0.2
83.05023	21.0
84.05344	0.4
100.07668	0.4
102.05623	0.3
107.06140	0.3
108.04556	0.4
125.07215	1.4
126.05592	0.6
128.03491	0.3
143.08260	0.6
146.04596	0.3
207.14963	1.9
224.17665	2.8
225.16068	13.6
226.16362	0.7
242.18677	0.8
250.15584	0.3
290.22040	0.3
306.07590	0.7
309.21753	0.8
324.26511	0.9
333.23001	1.2
341.29150	0.9
365.10229	0.2
366.10541	0.3
367.27130	1.1
407.33890	0.2
433.31781	1.4
450.34537	1.3
451.32877	6.4
452.33112	0.7
529.17053	0.3
530.17194	0.3
550.43250	0.8
551.43689	0.3
559.39496	0.5
565.44489	0.2
577.40973	0.3
593.43719	0.6
659.48364	1.5
677.49652	100.0
678.49976	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	678.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
59.54602	0.3
61.98831	100.0
71.01387	0.5
71.51746	0.5
86.20847	0.3
94.81001	0.3
109.02921	0.4
123.04499	0.4
125.02458	0.4
137.02484	0.3
169.12422	0.5
171.10320	2.2
172.10645	0.6
209.11774	0.6
210.12465	0.4
612.39417	0.4
660.33502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39901	1.6
53.75431	1.9
57.03437	2.7
57.61990	2.1
57.87851	1.8
59.01376	15.3
60.99307	3.7
61.98537	2.6
61.98831	41.1
65.90636	1.8
67.92553	2.0
69.32249	4.4
69.32655	13.6
71.01384	14.9
72.81100	1.8
73.02940	4.1
80.02618	2.1
81.03441	2.6
83.01379	4.6
83.05013	4.6
84.91649	2.0
85.02936	3.6
87.00866	4.9
88.98800	22.0
89.02450	7.3
95.05029	3.2
96.95994	7.3
97.06570	7.4
99.00913	2.0
99.63517	1.8
101.02438	8.6
113.02407	7.7
115.39391	1.6
124.63358	2.0
125.02446	4.8
125.09696	4.3
127.11254	5.7
136.79150	1.9
137.02538	2.0
150.03284	2.3
151.03914	2.4
151.11273	17.2
155.10759	2.9
161.04570	3.1
163.11237	2.2
165.12900	4.0
169.12332	100.0
170.12643	6.8
171.10269	20.2
172.10675	1.9
185.11754	4.9
199.09831	9.3
199.13370	2.8
201.11302	35.0
202.11612	2.3
209.11807	55.2
210.12007	2.4
211.13330	2.5
213.11313	14.4
215.12891	2.7
227.12962	9.3
233.11642	2.0
246.64082	1.8
253.09261	9.0
281.36069	2.0
349.19894	3.4
449.20169	6.6
479.33463	2.4
633.31201	46.0
634.31238	7.0
659.32776	86.1
660.33051	15.7
674.25958	2.2
677.33765	48.1
678.33929	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	677.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97394	2.2
57.10018	2.4
59.01382	31.1
62.29424	2.3
69.43453	17.8
71.01366	7.0
80.62830	2.6
85.02914	3.6
89.02440	5.8
91.08714	2.6
96.96021	3.1
98.20686	4.5
101.02428	4.5
101.29835	2.8
110.74467	2.3
125.30190	3.0
125.72062	2.4
136.85472	2.4
145.85951	2.8
163.11266	22.4
219.95580	2.7
221.81946	2.3
227.45102	2.4
289.07126	8.4
302.15475	2.5
387.11520	5.2
387.16586	100.0
388.16864	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	677.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97394	2.2
57.10018	2.4
59.01382	31.1
62.29424	2.3
69.43453	17.8
71.01366	7.0
80.62830	2.6
85.02914	3.6
89.02440	5.8
91.08714	2.6
96.96021	3.1
98.20686	4.5
101.02428	4.5
101.29835	2.8
110.74467	2.3
125.30190	3.0
125.72062	2.4
136.85472	2.4
145.85951	2.8
163.11266	22.4
219.95580	2.7
221.81946	2.3
227.45102	2.4
289.07126	8.4
302.15475	2.5
387.11520	5.2
387.16586	100.0
388.16864	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	677.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87863	0.7
59.01379	0.9
60.93484	0.7
61.98829	100.0
62.98551	0.9
64.33575	0.7
71.85212	0.7
78.95903	1.1
88.03662	0.8
151.04100	0.7
159.99440	0.7
199.09897	1.3
209.11876	1.7
211.13416	14.2
211.19788	0.8
235.08453	0.8
281.29807	0.8
400.28766	0.9
405.72110	0.9
447.22574	2.2
623.34430	5.8
624.35260	1.5
641.36145	0.8
653.03259	1.0
677.33862	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	677.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55902	3.5
61.98829	100.0
75.00861	4.3
89.02453	4.0
123.04512	4.6
166.26834	3.2
171.10289	3.9
211.13390	40.9
229.16724	4.0
265.71048	3.5
296.24344	3.9
395.92795	3.5
447.22440	5.9
480.56094	3.7
623.34369	13.1
677.33856	9.8
678.33948	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	676.221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	3.9
59.01366	2.1
59.06726	1.1
65.00332	6.6
69.50795	7.4
70.31417	1.0
71.05069	1.0
74.02474	13.7
82.03001	1.3
83.01419	1.3
86.02482	3.3
87.05644	3.0
96.95960	1.5
99.05637	8.0
102.05596	8.9
109.02955	6.2
113.03546	1.2
117.07131	1.7
121.03026	1.6
121.06595	5.4
122.03737	1.5
123.00835	1.6
123.04531	10.2
124.01665	1.9
125.02428	2.1
125.03564	1.5
127.05152	2.4
128.03546	29.0
135.04552	8.5
135.05563	1.4
136.01555	1.1
137.02417	2.0
139.27473	1.0
141.06682	2.1
143.04616	31.2
145.06586	8.0
146.03621	1.5
146.04607	14.2
146.89935	1.1
149.02435	4.1
150.03226	11.0
151.00357	3.7
151.04024	18.2
152.01157	1.3
153.06706	2.5
158.03627	1.1
159.04399	1.6
160.00742	7.5
161.02420	1.8
161.09694	2.1
162.03151	1.2
163.00381	3.6
163.04073	1.3
163.07661	8.0
164.01140	1.5
165.01915	1.7
166.09845	1.9
166.26613	1.1
167.04561	1.4
173.05957	1.3
175.04028	6.3
177.01921	7.3
177.03418	3.0
179.04616	5.8
181.06203	1.4
185.05772	2.3
187.07619	9.5
188.08099	1.4
189.05574	3.5
197.05798	1.1
201.01959	3.3
203.03471	4.4
203.07132	2.3
204.07884	2.7
205.04999	1.2
205.08705	12.9
210.08865	6.5
217.05074	5.6
217.08641	1.3
228.04120	1.0
231.06609	43.4
232.07257	12.1
233.08087	2.2
245.08163	1.4
247.09660	1.1
247.80980	1.2
254.07849	7.8
259.06137	8.2
260.06769	3.9
272.08868	11.0
285.04208	1.5
288.06671	5.3
289.07196	1.7
297.09714	2.3
298.04883	1.6
306.07657	100.0
307.08118	5.4
308.16055	1.9
309.04041	4.0
310.04929	2.4
338.51340	1.1
342.14920	8.9
355.11725	3.0
365.10284	69.8
366.10431	7.4
369.13461	8.9
382.10727	1.5
383.11331	33.0
384.11749	3.9
386.13770	4.4
449.10608	1.5
529.17151	77.0
530.17468	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	676.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	5.4
59.01385	1.8
65.00320	5.2
69.49763	7.6
74.02470	14.9
83.01385	1.2
84.04569	1.5
86.02486	3.1
87.05639	2.3
93.63565	1.2
97.02941	1.2
97.04114	1.1
99.05630	8.1
102.05603	9.8
103.88875	1.0
108.02216	1.3
109.02959	6.1
111.05647	1.2
113.03594	2.3
116.01725	0.9
117.07110	1.1
119.08633	1.2
121.02922	1.5
121.04152	1.2
121.06578	6.0
122.03733	1.1
123.04531	9.9
125.02441	3.1
125.03535	1.4
127.05131	1.9
128.03540	26.2
133.02989	1.9
135.04527	9.0
135.05585	1.9
137.02403	1.9
139.04010	1.4
139.05090	1.1
141.06728	1.6
143.04619	30.3
145.06609	6.9
146.03615	1.3
146.04604	13.4
147.04565	1.3
149.02428	3.4
150.03232	9.7
151.00351	3.2
151.04012	17.4
152.04443	1.1
153.06682	2.0
160.00703	7.5
161.02512	1.5
161.06100	1.1
161.09705	2.8
163.00346	2.4
163.03986	1.4
163.07658	6.6
165.01862	1.0
166.09819	2.5
167.04610	3.3
175.03984	4.6
175.07526	1.1
176.01167	1.9
177.01903	6.3
177.03421	3.3
179.04633	5.0
185.05742	1.2
187.07645	9.5
189.05568	1.5
189.13879	1.1
197.05676	1.4
201.56085	1.1
203.03513	2.5
203.07108	2.5
204.07881	2.6
205.05034	2.5
205.08676	10.7
210.08850	5.5
217.05043	4.5
217.08740	1.8
229.82455	1.1
230.05734	1.2
231.06606	36.1
231.08806	2.3
232.07336	15.0
233.07997	1.9
242.07829	1.8
245.08156	2.0
254.07762	7.4
259.06070	8.8
260.06894	2.3
261.07709	1.5
272.08868	13.1
288.06589	7.0
289.07147	2.6
297.09720	1.6
306.07657	100.0
307.07727	5.0
308.16205	3.9
309.04065	2.8
310.04776	3.9
337.10654	1.7
339.12219	1.3
342.14847	10.0
343.14764	1.2
355.11823	2.4
365.10278	55.3
366.10339	5.1
369.13452	8.5
370.13797	1.8
382.10440	1.9
383.11334	26.2
384.11697	3.0
386.13681	4.3
529.17126	67.6
530.17456	11.3
650.97827	1.2
676.22668	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	676.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38324	0.9
56.78909	1.1
57.03450	2.5
59.01374	4.0
59.82186	0.9
61.98832	38.5
65.00320	5.8
69.03457	1.5
71.01390	1.8
71.33281	1.8
71.33615	1.0
72.64682	1.1
83.01390	2.8
96.96010	4.0
97.02882	1.0
102.05615	14.7
107.01394	3.0
107.05029	1.1
108.02193	1.8
109.02962	3.5
117.07080	2.4
119.04952	1.0
119.08664	1.6
121.02940	2.6
121.06581	8.2
121.80400	1.0
122.03754	1.6
123.00875	1.4
123.04533	12.9
125.02450	21.3
126.02725	2.6
128.03520	9.3
133.02917	2.6
135.04527	10.8
137.02455	4.4
138.02817	1.1
139.00359	1.6
139.04031	2.0
145.02902	1.7
145.06567	9.3
146.04596	22.7
149.02473	3.0
150.03239	13.9
151.00398	6.6
151.04007	24.8
152.01089	1.7
153.36082	1.1
159.04480	1.3
161.02423	3.7
161.06082	2.5
161.09734	2.5
163.00388	3.8
163.04001	2.3
163.07680	7.1
164.01102	1.7
165.01880	3.3
166.61275	1.1
169.01424	6.9
174.03302	1.4
175.04025	6.8
176.01114	1.3
177.01920	7.6
178.99823	2.0
179.03531	1.4
179.07059	1.4
187.07668	11.5
189.05559	3.0
190.99820	2.0
203.03506	4.5
203.07101	3.9
204.07835	2.8
205.05125	1.5
205.08699	13.8
206.08949	2.0
209.11880	1.5
217.05037	5.3
219.02876	2.0
223.09773	1.2
231.06613	48.9
231.61934	1.2
232.07321	15.2
233.07935	3.0
245.08064	1.9
259.06091	9.9
260.06824	2.8
261.07635	2.2
279.96085	1.0
285.04004	3.9
289.07187	4.4
290.07468	3.3
297.09753	1.7
309.04004	2.9
310.04700	2.9
321.11224	1.6
337.10635	1.2
355.11777	2.6
365.10275	74.3
366.10596	9.6
382.10730	3.2
383.11374	38.7
384.11639	4.0
449.10873	2.5
486.41470	1.2
506.14966	1.9
524.16290	1.9
525.17743	1.6
529.17175	100.0
530.17395	14.7
676.20898	1.9
676.35956	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.7
61.98829	9.9
70.40326	2.7
70.99393	7.0
71.01375	10.0
72.96684	2.2
74.29803	2.5
79.09196	2.6
83.24223	2.9
89.02457	4.6
98.55474	2.6
101.02455	5.8
108.37653	2.8
113.02397	4.2
120.73280	2.3
125.09727	3.2
128.95773	2.4
137.34535	2.9
165.12859	11.8
169.12378	3.3
171.10269	3.7
183.13892	100.0
184.14272	5.0
185.11813	54.9
197.11911	7.9
209.11823	19.5
210.12120	6.0
211.13411	52.2
227.12904	10.1
229.14447	3.4
253.09279	7.5
268.80927	2.6
341.77625	2.8
401.39432	2.8
449.54510	3.7
463.22018	4.0
534.86908	3.0
621.32855	11.3
631.33295	36.4
632.33569	3.5
639.33661	4.7
657.34821	53.2
658.35773	4.6
675.35034	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	675.315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40769	1.8
51.63259	1.7
59.01373	8.8
61.98832	6.9
69.14900	6.7
69.15324	14.7
71.01375	9.7
77.14948	1.7
83.01407	1.8
85.02946	4.6
89.02464	4.0
89.38617	1.8
98.19952	4.9
101.02444	7.0
102.01347	2.1
109.02964	2.2
113.02422	3.1
125.02435	5.2
129.93773	2.0
161.04546	2.9
165.12819	12.9
171.10217	3.1
183.13893	100.0
184.14249	5.0
185.11816	60.7
185.13458	3.3
197.11819	6.6
199.13319	2.0
209.11827	15.2
210.12189	5.8
211.13382	57.2
212.13692	4.1
225.11366	2.5
227.12904	8.7
233.15163	2.2
235.08167	3.8
253.09206	10.0
403.24850	2.6
445.20334	3.3
463.21909	3.8
491.05057	2.0
576.23993	2.2
621.32404	12.2
631.33313	34.4
632.33325	4.0
639.33887	6.6
652.64325	2.0
657.34839	56.3
658.35254	7.0
675.35730	31.9
676.35992	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	675.426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22702	0.5
57.11045	0.4
59.01378	100.0
61.98829	4.2
71.49559	0.7
78.95870	0.7
97.18638	0.4
125.13503	0.5
133.46201	0.4
137.50215	0.4
177.78746	0.4
204.06540	0.5
209.11891	0.5
211.13443	0.5
276.95343	0.5
290.17041	0.4
291.19824	1.5
293.21213	0.5
309.20654	2.2
372.52194	0.5
617.30927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.7
59.01378	1.1
61.98833	1.7
62.03429	0.8
64.78342	0.9
69.44511	3.5
69.44939	3.4
69.47444	0.8
81.03436	1.9
83.01386	3.6
93.03462	1.8
93.07082	1.1
95.01318	0.8
95.05025	1.2
97.02950	2.8
107.01369	1.5
107.05013	1.0
109.02950	14.6
111.08134	0.8
117.03519	1.2
121.02938	3.7
123.00895	1.6
123.04527	9.2
124.01643	1.7
125.02445	100.0
126.02789	3.7
126.46400	0.9
133.02957	2.2
135.04533	1.7
135.08142	3.6
137.02451	18.9
139.03999	3.4
140.01074	1.2
140.67514	1.0
146.03738	1.4
147.04515	1.2
149.02457	4.3
150.03175	1.1
151.00316	1.7
151.03999	11.3
159.04486	2.0
161.02434	20.3
161.06099	2.5
162.03174	3.1
163.00436	1.3
163.04016	4.0
164.01128	3.9
165.01888	8.7
167.03546	1.0
168.00616	1.4
169.01421	2.2
169.98679	0.9
175.03976	7.8
175.07571	1.2
177.01913	3.2
177.05644	1.0
179.03456	3.9
179.07118	14.5
180.07393	1.5
183.03003	0.9
185.06099	0.9
187.03981	6.0
188.04796	2.4
189.01866	1.2
189.05501	1.0
191.07098	2.2
201.05609	1.5
202.06284	1.5
203.03555	1.6
203.07137	8.4
205.01459	1.7
205.05028	7.1
217.04973	1.2
219.06610	6.8
221.08147	1.7
223.09750	26.9
224.10143	1.4
227.03447	1.5
227.07217	1.3
229.04948	1.6
245.04419	2.5
245.08139	11.4
245.78575	1.2
255.02893	2.6
256.03687	1.2
262.08405	2.2
263.09027	1.1
263.56668	1.0
281.04538	2.2
287.05621	4.7
289.07172	57.2
290.07483	3.8
299.05591	3.6
339.08643	2.1
343.11795	2.6
353.10281	1.3
354.15302	0.9
363.07953	0.9
371.11414	6.1
372.11197	1.1
381.09665	1.1
385.12888	18.5
386.13135	2.9
407.07458	7.4
408.07797	2.0
425.08685	1.9
451.10333	12.3
505.08575	0.5
505.15009	21.5
506.15359	3.1
523.16003	25.2
524.16516	4.5
566.09369	1.2
577.13715	1.7
675.21674	17.5
675.35791	5.8
676.21759	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	675.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39974	0.7
52.98017	0.7
57.03448	14.4
58.58184	0.9
59.01366	1.1
61.98829	11.1
71.01368	1.3
71.74688	0.8
81.03451	1.2
83.01401	4.6
88.98820	0.9
93.03463	1.5
95.01389	1.1
95.05021	2.1
96.08072	0.7
96.96046	0.9
97.02949	3.6
107.89163	0.8
108.02174	1.7
109.02957	17.9
110.03278	1.1
117.03431	1.0
121.02958	3.6
122.03725	1.6
123.00825	0.9
123.04527	12.5
125.02446	100.0
126.02789	3.0
129.90958	0.8
133.02943	3.0
135.04533	2.7
137.02434	18.3
138.02844	0.9
139.04005	2.4
144.04591	1.1
145.02989	1.4
146.03682	1.1
147.04552	1.4
149.02409	4.1
150.03107	1.0
151.04008	7.5
159.04506	1.7
160.05167	1.1
161.02434	25.3
161.06067	3.4
162.03052	2.8
163.00357	1.7
163.04010	2.8
164.01112	3.3
165.01958	3.4
165.05492	0.8
166.02649	1.1
167.03516	2.2
171.10234	1.4
173.06059	0.9
175.04007	4.4
175.07718	0.8
177.01939	3.5
177.05580	1.2
178.02371	0.8
179.03477	4.6
179.07123	1.9
185.06017	1.1
187.04007	3.6
188.04840	1.7
189.05582	1.0
190.02621	1.4
191.07079	4.2
193.08704	1.1
199.07765	0.9
202.06471	1.1
203.03455	1.7
203.07214	8.8
205.01381	2.4
205.05022	7.2
209.11804	3.0
213.05522	1.4
217.05061	1.3
219.06601	1.6
221.08136	1.6
223.09680	2.0
227.03494	0.8
227.06999	0.8
231.03033	1.9
231.06549	1.8
235.09758	2.9
245.04616	4.4
245.08134	11.4
245.80820	0.8
247.06140	0.8
255.03036	1.7
256.03775	2.2
259.06122	1.2
269.04572	2.2
271.06253	1.1
275.09247	1.2
281.04730	1.1
285.04044	0.9
287.05609	6.7
289.07156	39.1
290.07498	4.8
291.07684	1.0
299.05823	1.0
299.13208	0.8
303.08655	1.9
306.26865	0.7
309.07574	1.5
325.11868	1.4
329.06537	1.4
339.08807	1.1
343.11761	6.0
349.13965	0.9
353.10397	1.9
371.11438	3.0
373.96591	0.8
385.12790	1.9
387.14481	29.3
388.14703	2.4
397.12933	8.7
407.07703	8.7
408.08063	1.4
422.08649	0.9
451.10263	5.8
461.12610	2.9
479.17136	1.1
485.31082	0.8
505.15021	34.5
506.15344	4.4
523.16095	11.1
524.16254	2.1
549.17761	9.8
550.18237	1.4
675.20935	12.9
675.34015	4.4
676.21594	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	675.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.8
61.98827	1.2
69.39931	6.5
81.03453	2.4
83.01383	5.6
93.03461	2.1
95.04999	2.9
96.96055	0.9
97.02949	2.5
98.20615	1.9
107.05022	2.0
108.02167	1.5
109.02939	18.1
121.02942	4.0
122.03748	2.1
123.00896	0.9
123.04528	15.2
125.02443	100.0
126.02763	3.5
131.05019	1.1
133.02930	2.8
135.04509	2.3
135.08131	3.0
136.01630	1.7
137.01440	1.8
137.02444	20.1
138.02716	1.0
139.03989	3.1
147.04460	1.3
149.02414	5.7
150.03188	1.0
151.03996	16.5
152.04340	1.0
159.04477	2.2
161.02429	18.1
161.06039	2.8
162.03157	2.9
163.00368	2.5
163.04015	6.5
164.01140	3.0
165.01932	6.7
169.01483	1.2
174.03246	1.1
175.03978	11.4
175.07607	1.5
177.01904	7.4
179.03485	3.4
179.07101	12.0
185.06023	2.1
187.03990	8.7
188.04701	3.1
189.01927	3.1
191.03494	2.3
191.07123	2.8
193.05048	1.8
197.96309	1.0
201.05467	0.8
202.06346	1.0
203.03505	1.4
203.07133	8.8
205.01324	1.0
205.05072	5.9
205.08775	1.7
213.05574	2.0
215.03557	1.5
217.05081	2.8
219.02869	1.0
219.06613	6.2
221.08188	0.9
223.09741	22.0
224.10023	2.4
227.03503	1.3
227.07063	2.0
229.05035	5.2
229.08649	3.2
230.05739	1.1
231.02969	1.5
231.06554	3.4
235.09940	1.3
237.25052	1.1
239.03304	0.9
241.08711	1.0
243.02951	2.4
243.06560	1.0
244.03732	1.1
245.04385	2.0
245.08170	8.4
247.06100	1.9
253.04987	1.0
255.02969	4.6
255.06508	1.0
256.03650	2.8
257.04300	1.5
257.08423	1.1
262.08325	1.6
263.09152	1.5
271.06122	1.3
271.09689	1.1
273.03970	2.4
273.11249	1.5
275.09247	1.3
281.04453	4.7
283.02414	1.3
283.09793	1.6
285.04123	2.1
285.07675	0.9
285.11331	2.1
287.05576	3.6
289.07175	47.7
290.07544	4.6
295.05774	1.1
297.07553	1.5
299.05786	4.2
329.06284	1.1
339.08572	5.1
353.10254	1.9
371.11325	12.3
372.11417	2.0
381.09653	1.7
384.11560	1.3
385.12897	22.1
385.40863	0.9
386.13297	2.8
407.07678	18.7
408.07825	2.7
425.08459	1.4
435.14600	1.0
451.10263	11.3
452.10434	1.5
461.12375	4.0
462.12830	0.9
505.15002	34.3
506.15341	5.8
523.16083	69.0
524.16467	11.1
577.13513	1.4
657.20001	1.2
675.20874	15.2
676.21088	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
58.00600	2.2
59.01381	10.6
61.98830	16.3
69.03437	1.2
71.01380	44.4
73.02949	3.8
78.95908	6.1
81.03455	2.4
83.01390	1.4
83.05030	6.9
84.02151	1.9
85.02950	4.3
87.00880	3.2
89.02436	6.5
95.05014	1.5
97.02953	3.3
99.00892	3.7
101.02453	9.6
108.08721	1.2
109.06594	12.4
113.02460	4.2
119.25912	1.0
125.09725	4.0
127.11286	2.3
135.08159	1.9
137.09673	1.1
145.05046	1.0
152.99554	2.6
153.12692	1.1
155.10776	2.5
161.04550	3.0
161.09721	1.6
163.11285	15.0
164.11687	1.1
165.09259	1.3
165.12836	3.5
169.12430	1.5
171.10277	17.6
172.10573	1.4
179.05663	1.2
181.12378	6.3
183.13922	7.4
185.11845	3.7
191.10693	1.2
193.12314	1.4
199.13405	15.1
201.11327	14.4
207.10252	35.6
208.10664	2.9
209.11816	100.0
210.12105	5.6
211.13394	60.5
212.13712	4.2
215.12904	2.0
225.09227	2.2
225.11325	31.9
226.11702	1.9
227.12877	47.4
228.13251	3.7
229.14432	1.3
235.08235	4.0
235.13316	1.4
243.12358	5.2
247.13376	2.2
253.09288	15.4
265.14328	1.5
373.23749	2.4
375.25305	1.4
383.22281	1.9
391.24716	1.8
401.23431	5.1
419.24347	4.2
443.19473	1.6
445.20969	2.6
461.20447	9.5
462.20749	1.6
463.22113	2.0
479.21616	1.1
591.57587	1.2
637.32526	7.1
638.32495	2.2
655.33392	9.6
656.33624	4.7
673.34155	17.9
674.34766	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	675.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.2
59.01374	3.3
61.98832	16.3
69.03468	1.2
70.57330	1.1
71.01379	2.2
81.03457	2.1
82.32182	1.1
83.01399	4.3
88.67295	1.0
88.98811	2.4
93.03468	1.7
95.05020	3.4
96.96014	2.6
97.02954	4.7
97.22373	1.1
98.20636	3.8
109.02946	18.2
116.92879	1.4
121.02927	3.8
123.04537	14.4
124.01652	1.7
125.02449	100.0
126.02778	4.5
132.02179	1.2
133.02922	2.7
135.04492	2.1
135.08177	3.2
137.02451	19.5
139.03992	3.7
145.02983	1.2
149.02419	5.0
150.03165	1.5
151.04013	12.5
152.04376	1.5
159.04428	2.9
160.05344	1.5
161.02454	20.5
161.06113	2.9
162.03012	2.3
163.00288	1.5
163.03987	4.9
164.01123	5.0
165.01924	7.6
165.05598	1.7
167.03485	1.8
169.01411	1.2
175.03973	6.7
177.01935	2.3
179.03571	2.3
179.07150	13.6
187.03984	5.0
188.04765	2.0
189.01854	1.8
191.03529	1.6
191.07132	2.3
201.05606	2.6
202.06241	1.7
203.03444	1.4
203.07097	9.3
205.01335	1.9
205.05054	8.7
213.05634	1.2
217.04955	1.5
219.06549	5.5
223.09752	27.0
224.10078	1.7
229.05009	2.2
229.08601	1.5
231.06526	1.8
243.06572	1.5
245.04648	2.0
245.05876	1.3
245.08130	11.1
246.08618	1.3
255.02740	1.2
256.03711	2.0
262.08496	2.2
263.09219	1.9
271.06015	1.7
273.04144	1.5
281.04880	1.9
285.04089	1.6
287.05591	4.5
289.07178	60.2
290.07440	7.2
299.05704	3.9
339.08856	3.2
341.06403	1.4
341.10291	1.5
343.11819	2.8
367.11954	1.4
371.11331	3.5
385.13004	15.3
386.13199	2.5
391.26282	1.2
407.07816	10.3
408.08182	1.4
451.10324	9.5
461.11993	1.6
502.76984	1.2
505.15057	18.3
506.15295	2.8
523.16028	23.8
524.16443	4.2
638.82910	1.3
675.20337	9.8
676.20172	1.5
702.00494	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.1
59.01395	1.6
61.98825	3.5
69.03453	1.4
69.20614	6.7
71.01382	3.2
73.02946	1.0
81.03457	2.4
83.01385	3.5
85.02963	3.3
85.94785	0.7
89.02391	0.9
89.17394	0.6
93.03447	1.8
95.01388	2.7
95.05022	1.0
96.96022	4.1
97.02969	2.8
101.02459	1.6
107.01396	1.2
108.02172	56.1
109.02959	40.3
110.03267	1.7
113.02414	0.9
121.02970	4.8
122.03741	2.9
122.14298	0.6
123.00892	3.1
123.04520	7.0
124.01687	1.0
125.02443	50.9
126.02795	2.1
133.02914	1.7
135.00885	0.8
135.04529	1.5
137.02446	16.6
137.06029	0.7
139.03983	1.3
146.03748	1.2
147.04463	1.7
149.02440	3.1
150.03220	1.8
151.00371	1.9
151.04010	6.4
152.01149	53.5
153.01941	17.7
159.04477	2.7
160.05153	0.9
161.02417	9.8
161.06042	1.0
162.03178	1.5
163.00371	2.0
163.03996	2.5
164.01160	4.3
165.01918	10.7
165.05559	2.7
167.03493	7.0
169.01379	2.1
175.03995	3.6
175.07629	0.8
176.04602	0.6
177.01962	3.0
177.05615	0.9
179.03471	3.6
179.07089	0.7
185.06010	1.3
187.03976	3.0
187.07649	0.7
188.04701	2.2
189.01949	0.6
189.05516	0.8
193.04996	1.3
195.02875	0.9
199.03999	1.0
199.07771	0.7
201.05516	1.3
201.09206	1.0
203.03526	1.2
203.07149	3.4
205.01346	1.1
205.05051	2.9
209.11818	4.0
211.13069	1.0
217.05051	0.7
217.08655	1.5
227.03462	1.0
227.07115	0.7
228.04294	0.8
229.04974	2.3
241.04881	1.0
243.02954	1.0
245.04509	1.2
245.08160	4.8
251.07069	0.7
255.03043	3.8
256.03537	0.9
257.08191	3.9
269.04517	1.6
273.03949	2.3
285.03979	1.0
287.05618	3.3
288.06244	1.0
289.07166	20.4
290.07443	2.2
299.05627	1.0
302.14932	0.8
311.07697	8.1
329.06555	1.1
329.10281	0.7
329.23218	1.1
331.08002	1.1
341.10291	1.1
361.16489	3.5
375.27545	18.2
376.27487	1.5
383.11340	4.0
385.13025	2.6
395.11499	1.3
407.07788	7.2
408.07944	1.1
425.08713	4.2
467.09427	1.4
503.13342	1.3
521.14728	3.2
529.15765	0.9
535.15454	1.0
547.16156	2.2
655.18518	1.2
673.34351	100.0
674.34857	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	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
58.00597	2.6
59.01380	13.7
61.98832	10.7
69.03451	1.8
71.01379	44.4
73.02948	4.2
78.95917	3.6
80.02668	1.5
81.03449	1.7
83.01387	1.7
83.05029	5.8
85.02953	3.3
87.00894	3.5
89.02460	5.5
95.05038	1.6
95.91572	1.1
97.02950	3.3
99.00873	2.2
101.02446	9.3
107.55266	1.1
109.06584	6.9
113.02432	4.1
119.03512	1.6
121.06571	0.9
123.08145	1.0
125.09731	1.9
127.11259	1.6
134.44585	0.9
135.08134	1.4
145.05074	1.1
152.99591	1.2
155.10834	1.1
161.04597	2.2
161.09769	1.1
161.93214	1.1
163.11304	8.8
165.12865	2.9
171.10207	8.0
171.13887	1.5
181.12373	5.4
183.13869	10.8
185.11888	3.6
193.12354	2.5
199.13385	24.1
200.13705	1.5
201.11302	9.1
207.10248	25.7
208.10530	1.4
209.11827	57.8
210.12167	4.6
211.13400	100.0
212.13762	4.4
225.11333	18.0
227.12892	59.1
228.13206	3.7
229.14433	2.0
235.08189	6.2
235.13487	1.8
243.12399	1.4
247.13495	1.9
253.09270	14.5
253.14314	1.2
265.14474	2.8
373.23773	1.3
383.21912	1.8
391.24802	2.1
401.23352	7.0
402.23627	1.2
419.24484	5.3
420.24344	1.1
437.25418	1.6
443.19357	1.2
445.21115	1.7
447.22208	2.0
461.20206	5.1
463.22070	8.9
464.21863	1.2
501.23715	1.3
608.09283	1.4
637.32178	6.5
655.33240	8.3
656.34332	2.7
673.34241	18.8
674.34631	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	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03464	1.1
59.01379	5.9
60.66327	0.5
61.52290	0.6
61.98818	1.5
69.32368	0.6
71.01385	5.3
73.02950	2.2
83.05017	0.7
85.02951	1.0
87.00919	1.5
89.02463	2.7
97.06612	0.8
101.02431	3.6
109.06567	0.8
111.08191	1.2
113.02449	1.7
143.03508	0.9
146.85539	0.7
151.03874	0.6
157.14967	0.7
161.04585	1.5
163.11246	1.3
165.12845	9.5
166.13121	0.7
168.16495	0.6
171.10252	1.3
183.13898	100.0
184.14244	5.2
185.11906	0.7
199.09767	0.7
199.13408	2.8
207.10231	1.4
209.11827	11.4
211.13382	6.6
225.11273	1.1
227.12892	8.6
235.08212	1.9
253.09233	3.4
389.08347	0.6
445.20844	2.7
453.31036	0.7
463.21796	5.6
629.35309	5.2
630.36371	0.8
637.32880	1.0
655.33264	5.7
656.33057	0.8
673.34351	63.7
674.34662	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	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
58.50565	0.2
59.01373	2.8
61.31516	0.2
61.98801	0.3
70.27242	0.8
71.01378	2.2
71.05012	0.3
73.02948	0.4
80.02673	0.9
81.03468	1.3
83.01387	0.3
83.05028	4.6
84.02168	0.9
84.05368	0.3
85.02972	0.5
87.00880	0.3
89.02453	1.1
95.05003	0.8
98.19882	0.3
101.02448	1.6
109.06579	0.3
113.02441	1.0
119.03480	0.3
125.02427	0.5
125.09698	0.2
135.08142	0.8
139.03191	0.3
161.04544	0.9
163.11284	3.4
164.11584	0.3
165.12863	1.9
169.12329	0.3
171.10269	3.0
174.45338	0.2
179.05548	0.3
181.12390	0.7
185.11868	0.3
191.10817	0.7
199.13339	1.1
201.11427	0.2
209.11826	100.0
210.12164	6.2
211.13354	0.4
221.11700	0.5
225.11211	0.4
227.12891	13.6
228.13208	0.8
235.08191	1.8
247.13351	1.2
253.09306	4.7
260.16461	0.2
265.14478	0.3
268.23029	0.3
419.24289	0.3
445.20721	0.8
637.32251	0.8
641.38208	0.3
655.33624	0.6
673.34515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
58.00597	0.2
59.01374	2.4
61.98813	0.2
63.86399	0.2
67.14157	0.2
68.45159	0.2
70.56883	0.2
71.01386	2.0
73.02934	0.5
78.46389	0.2
80.02678	1.0
81.03470	1.1
83.05026	4.1
84.02158	0.9
85.02967	0.5
87.00885	0.5
89.02453	1.4
95.05061	0.5
97.02954	0.3
101.02437	1.6
101.96723	0.2
109.02937	0.3
109.06573	0.6
113.02454	1.0
119.03522	0.3
125.02435	2.1
125.06087	0.4
125.09724	0.5
133.23906	0.2
135.08200	0.5
137.02437	0.5
143.03462	0.2
145.05093	0.4
151.04045	0.3
159.31523	0.2
161.02400	0.4
161.04572	0.5
163.11284	4.1
165.12842	2.3
167.74596	0.2
171.10249	2.8
181.12354	0.8
185.11804	0.5
186.52826	0.2
191.10797	0.9
195.18935	0.2
199.13437	1.3
201.11246	0.5
207.10229	0.3
209.11818	100.0
210.12143	6.2
211.13416	1.2
225.11339	0.5
227.12875	13.0
228.13208	0.7
235.08229	1.9
247.13310	1.2
247.72614	0.3
253.09259	6.6
254.09831	0.2
265.14444	0.4
283.53226	0.2
289.07190	1.3
331.26422	0.3
344.12012	0.2
363.85324	0.2
401.23419	0.4
419.24429	0.3
445.20639	0.9
637.32239	0.8
655.33313	0.5
673.33978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52340	2.2
51.83218	2.3
57.03452	11.9
59.01367	8.2
60.62341	2.4
61.98807	6.9
63.04963	2.5
67.01858	2.2
69.03448	3.8
71.01382	5.3
71.50890	3.8
76.11261	2.2
77.03983	3.6
81.03449	3.5
83.01380	14.4
85.02927	5.8
93.03450	9.2
95.01382	3.4
95.05003	4.1
96.96046	2.9
97.02935	5.5
105.03474	2.6
107.05030	4.3
108.02181	5.0
109.02951	37.7
113.02472	4.0
120.01237	2.6
121.02953	27.2
122.03667	3.8
123.00939	2.7
123.04552	4.8
124.01636	8.2
124.73477	2.5
125.02444	100.0
126.02821	2.9
128.51820	2.5
133.02948	6.3
135.04523	13.8
137.02455	90.4
138.03018	2.9
143.34386	2.3
145.06570	3.2
147.04506	10.7
149.02463	26.6
149.06041	5.7
150.03156	9.3
151.00412	4.3
151.04018	13.5
157.06555	2.9
158.03723	3.7
159.04515	17.1
161.02422	29.1
162.03177	4.2
163.00351	3.9
163.03963	5.1
164.01117	8.5
165.01941	46.7
167.03439	4.2
172.05240	8.9
173.06067	22.0
174.03210	6.6
175.03978	43.5
175.07512	4.8
176.04663	3.0
177.01897	16.6
177.05586	11.1
183.04471	6.3
189.05505	7.3
191.07051	6.4
193.03510	4.1
197.06020	4.8
199.03900	5.9
200.04666	5.5
201.03883	2.7
201.05547	34.7
201.09068	2.3
203.03465	14.0
213.05579	5.0
215.03532	4.0
215.07114	8.1
217.05054	13.1
217.08711	3.1
219.06570	12.6
225.05540	7.5
229.08652	3.6
241.05022	4.3
243.03043	6.1
243.06577	18.5
245.04503	8.1
255.02956	2.9
258.05206	7.4
259.06104	67.4
260.06335	5.7
269.04510	8.0
271.04532	7.8
285.04037	3.2
287.05603	98.2
288.05927	9.7
289.07132	8.5
323.12381	7.2
357.12042	2.5
360.16479	2.3
367.11960	12.4
367.15842	2.8
385.12854	21.0
386.12808	2.4
396.35388	2.2
459.14825	2.4
485.12366	4.7
503.13275	8.8
521.14288	7.1
547.16455	6.2
673.19659	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	673.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.06502	0.7
59.01152	0.5
59.01382	6.7
61.02691	0.7
61.98824	0.8
63.37346	0.5
65.00331	1.0
65.03955	1.3
67.01896	0.8
69.03449	0.6
69.22051	0.5
71.01376	4.8
72.99325	0.8
83.01383	5.4
83.81323	0.6
85.02933	1.6
87.00887	0.8
89.02427	2.8
89.03963	0.7
91.18525	0.5
95.01351	1.4
101.02441	1.8
107.05033	2.5
109.02962	8.0
111.00864	1.5
113.02433	1.0
119.03512	0.9
123.00877	3.3
123.04564	1.1
124.01662	6.3
125.02450	18.6
127.00372	1.5
133.02960	2.7
136.98820	1.2
137.02444	29.9
138.03287	4.0
139.00354	4.5
139.03998	1.0
147.90265	0.5
149.02454	3.8
150.03188	2.5
151.04010	21.9
152.04405	1.3
153.05598	2.8
161.02446	1.9
165.01926	1.3
167.03664	0.8
169.13942	0.6
175.00343	2.1
175.04041	1.3
176.01106	1.1
177.01926	24.5
178.02359	1.7
179.03484	1.5
180.04204	0.9
187.04030	1.0
189.01930	0.7
190.02711	2.9
191.03491	3.5
195.02969	1.6
205.05014	1.0
211.06039	1.3
215.03462	2.3
221.08105	1.0
223.06122	2.5
229.01743	0.6
229.05115	0.9
230.05490	1.1
239.03589	1.0
240.04050	1.1
241.05055	0.7
255.03036	0.6
256.03763	1.5
257.04520	2.6
272.06815	1.6
283.02435	1.4
284.03311	2.2
285.03958	3.0
287.09222	0.7
288.06497	0.7
299.07690	1.3
301.03439	1.8
303.05325	1.1
303.08707	11.6
313.07068	1.0
316.05713	2.7
331.08203	100.0
332.08575	7.8
355.08255	0.9
357.08090	1.3
373.11481	9.8
374.11703	0.7
374.65179	0.5
385.11328	3.0
385.56534	0.6
493.13550	12.9
494.13748	1.6
511.14523	18.9
512.14850	2.3
535.14557	1.6
673.19666	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	673.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
58.00573	0.7
59.01379	8.6
61.64961	0.5
63.82388	0.4
65.00324	0.6
65.03951	1.1
66.54668	0.4
67.01888	1.3
69.03447	0.7
69.39029	3.6
71.01383	4.5
73.02935	0.5
83.01393	5.2
85.02946	1.1
87.00896	0.6
89.02440	3.5
89.03972	1.0
95.01353	0.9
101.02448	1.9
101.45227	0.4
107.05030	4.5
109.02945	8.4
111.00862	1.7
113.02449	0.7
119.03475	0.7
120.42141	0.4
121.02940	0.7
123.00884	4.1
123.04527	0.8
124.01685	7.6
125.02445	19.6
125.52772	0.5
127.00335	1.2
133.02957	3.8
136.98802	1.5
137.02449	26.8
138.03247	5.5
139.00374	5.8
139.03952	0.8
140.00682	0.6
149.02469	3.0
150.03212	2.8
150.27979	0.5
151.04010	25.5
152.04341	1.0
153.05566	3.0
154.02692	0.9
161.02393	1.9
165.01932	1.6
175.00360	2.6
175.04007	1.0
176.01086	1.4
177.01927	23.5
178.02431	1.4
179.03487	1.6
180.00540	0.6
180.04205	0.8
187.03975	1.0
190.02730	2.9
191.03479	3.6
195.02995	2.5
195.06668	0.6
196.03734	0.5
199.04008	0.6
201.01953	0.5
203.03485	1.0
205.05096	1.1
208.03714	0.9
211.04060	0.4
211.06090	1.0
213.05408	0.5
215.03433	3.1
221.08206	1.1
223.06100	2.7
223.92575	0.6
229.05045	1.3
231.02948	0.6
232.03728	0.5
233.04472	0.8
239.03441	1.7
240.04291	1.0
241.05133	1.1
245.08189	0.5
256.03864	1.4
257.04614	3.5
271.06204	0.6
272.06793	2.1
273.04010	1.3
283.02499	1.7
284.03293	2.3
285.04016	2.9
288.06317	1.0
298.04767	0.8
299.07779	1.5
301.03635	1.6
303.08755	12.7
304.08902	1.2
313.07156	1.1
316.05887	3.1
331.08212	100.0
332.08563	9.4
339.06982	0.7
355.08154	1.6
358.08826	0.7
373.11493	8.9
385.11438	2.2
401.72025	0.5
493.13498	13.3
494.13925	2.3
511.14554	18.2
512.14801	2.5
535.14813	1.1
673.19916	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	673.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.4
65.03947	1.0
69.03457	1.0
70.88581	1.6
75.13898	0.6
75.45115	0.6
81.03455	2.3
82.56748	0.6
83.01380	5.5
83.03567	0.6
93.03472	1.9
95.01398	1.6
95.05025	2.1
97.02962	3.5
108.02148	1.0
109.02953	16.0
121.02940	3.1
122.03693	1.2
123.04518	12.8
124.01681	1.4
125.02441	100.0
126.02773	3.0
132.02156	1.2
133.02969	2.2
135.04523	2.2
137.02441	24.5
139.03996	2.3
143.04987	0.9
145.02953	1.1
146.03714	1.6
147.04512	1.0
149.02434	4.9
150.03244	1.6
151.03995	10.5
152.01111	0.8
157.06593	0.8
159.04474	3.4
160.01627	2.2
160.05302	1.2
161.02420	6.0
161.06097	4.1
162.03183	1.9
163.00400	3.1
163.04005	3.2
164.01158	4.9
165.01921	10.8
167.03377	1.6
171.04521	1.3
172.05196	1.0
173.06042	1.7
174.03218	1.8
175.03992	8.2
175.07605	2.3
176.04532	0.7
177.01939	8.4
178.02534	1.0
179.03479	4.4
185.06032	1.2
187.04012	7.6
187.07768	1.6
188.04753	2.8
189.01978	0.7
189.05557	1.8
191.03542	0.9
199.04041	3.0
200.04790	2.0
201.05534	2.3
201.09172	1.0
202.06375	1.7
203.03519	1.7
203.07141	9.8
204.07372	0.8
205.01395	4.2
205.05098	5.3
211.03967	1.4
212.04715	0.8
213.05547	2.2
215.03484	1.7
215.07124	1.1
217.05031	1.9
217.08670	2.7
219.02950	0.8
221.08195	2.0
223.04478	0.9
227.03545	2.3
227.07190	2.2
228.04242	2.9
229.05035	2.9
229.08670	1.6
238.06506	0.7
241.05031	0.9
243.02982	2.8
243.06430	0.9
245.04475	1.0
245.08206	8.1
247.06087	1.4
252.04254	1.3
253.04922	1.1
255.02954	9.0
255.05603	0.9
255.06544	0.7
255.10451	1.0
256.03766	5.1
257.04593	2.1
257.08185	7.6
258.08713	1.1
269.04550	2.0
271.06168	1.2
273.03976	4.1
281.04578	2.8
281.08151	1.8
283.02502	1.3
285.04016	2.9
286.04819	3.2
289.07166	45.6
290.07486	3.1
297.04062	1.5
297.07617	1.1
298.04849	1.6
329.06561	4.6
330.06860	0.9
339.08691	2.6
339.12424	1.7
341.10056	1.4
365.10373	1.2
367.11853	0.9
381.09918	2.1
383.11279	14.9
384.11679	1.8
385.13016	2.3
395.11331	5.6
407.07657	50.1
408.07950	5.2
425.08740	18.2
426.09091	2.6
485.16068	0.8
503.13480	1.3
521.14545	4.3
529.15448	2.0
547.16028	9.2
548.16699	1.9
673.19092	5.1
704.93677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.9
57.42641	0.9
60.61198	0.8
69.40406	5.2
81.03468	2.4
83.01385	4.7
93.03453	1.8
95.05011	2.8
96.95995	2.1
97.02938	2.8
107.01401	1.0
107.04992	1.1
108.02190	1.2
109.02954	13.5
121.02952	4.2
122.03754	1.5
123.04543	10.1
124.01699	1.4
125.02448	100.0
126.02785	2.6
132.02156	1.3
133.02951	1.2
135.04544	2.2
137.02440	27.3
139.04034	1.9
145.02876	1.0
146.03712	2.0
147.04549	1.2
149.02472	5.6
150.03156	2.3
151.04010	10.3
159.04489	3.0
160.01627	1.9
161.02467	7.8
161.06049	2.6
163.00328	2.8
163.03979	3.8
164.01140	7.6
165.01917	14.2
167.03485	3.8
169.01433	2.8
171.04491	1.1
172.05301	1.0
173.06006	2.1
174.03201	2.2
175.04018	9.4
175.07584	2.3
177.01930	9.5
177.05469	1.1
179.03500	3.7
183.38690	0.9
185.06050	1.3
187.03999	6.0
188.04701	3.5
189.05510	1.9
199.03983	3.2
200.04802	1.6
201.05521	2.1
202.06435	1.5
203.03467	1.0
203.07144	8.5
205.01428	4.8
205.04993	5.4
211.03941	1.1
212.04623	1.0
213.05365	2.0
214.02628	0.9
215.03577	1.0
217.05016	1.3
217.08672	3.5
221.08070	2.0
225.05545	1.1
226.06155	0.9
227.03473	2.1
227.07120	2.5
228.04243	2.5
229.05064	3.0
229.08601	1.8
239.07124	1.1
243.02919	2.8
245.08218	8.3
247.06017	1.5
255.02998	9.6
256.03735	4.2
257.04321	1.6
257.08252	8.1
258.08566	1.2
273.04071	5.9
281.04462	2.7
281.07928	1.8
283.02411	2.7
285.04114	1.9
286.04788	2.2
287.05527	1.1
289.07178	38.8
290.07437	2.4
297.11282	1.7
298.11899	0.9
299.13300	0.9
323.12753	1.1
329.06610	3.3
331.08069	0.9
339.08716	2.3
341.10309	1.8
365.10315	1.1
367.11749	3.4
381.09723	1.6
383.11356	14.9
384.11597	1.3
385.12769	4.2
395.11459	6.1
396.11594	1.0
407.07709	40.1
408.08286	4.5
425.08789	16.8
426.09229	1.2
485.12009	2.0
503.13162	5.9
504.14105	1.3
511.15988	1.0
521.14703	4.6
529.14825	1.9
547.15961	8.7
548.16461	2.0
655.17761	1.0
673.20068	5.3
674.20398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82658	0.6
57.03437	1.7
59.01375	1.1
61.98837	3.5
67.37926	0.6
69.49654	3.4
69.50060	1.1
71.01369	2.2
73.02919	0.8
81.03452	2.1
83.01366	0.7
85.02975	3.8
87.00843	0.7
88.98783	0.7
89.02409	0.6
93.03464	1.3
95.01356	2.0
95.01908	0.6
96.80169	0.5
96.96019	0.7
101.02441	0.9
107.01346	0.5
108.02172	58.7
109.02966	32.1
110.03252	0.7
113.02450	1.3
113.09725	0.9
121.02945	1.3
122.03677	0.8
122.77592	0.6
123.00884	2.3
123.04552	1.0
124.01715	0.6
125.02410	3.0
133.02986	1.1
135.04514	0.5
135.87003	0.6
137.02464	2.9
147.64690	0.5
149.02388	0.6
150.03200	1.1
151.04048	0.9
152.01149	53.9
153.01941	17.9
157.08705	0.5
160.05226	0.7
161.02435	2.5
163.03996	1.5
165.01874	1.5
165.05478	0.7
167.03476	1.9
171.10208	0.7
175.03993	0.7
175.07654	0.7
181.05063	0.6
195.06610	1.3
197.41106	0.6
197.94968	0.5
209.11752	2.9
225.11351	1.0
260.38623	0.5
287.05573	0.6
311.07709	3.8
329.13837	1.3
343.24832	2.4
355.24969	1.5
373.25934	15.7
374.26050	1.5
383.11612	0.6
390.03256	0.6
403.16077	0.5
443.18945	0.7
523.29926	0.6
534.39502	0.6
575.07135	0.7
640.70679	0.7
641.22211	0.8
671.32800	100.0
672.33105	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	671.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36995	0.7
55.58463	0.7
57.03437	1.1
59.01377	6.0
61.98543	0.6
61.98830	10.5
65.00326	1.1
66.73386	0.7
68.99808	0.9
69.14680	5.5
69.15086	1.0
71.01372	2.9
73.02958	1.5
74.95288	0.6
81.03460	1.9
83.01397	1.3
85.02939	3.3
93.03465	3.6
95.01402	3.7
95.05022	1.2
96.84225	0.7
96.96018	1.8
97.02926	0.9
99.00939	0.7
101.02441	2.4
106.09982	0.6
108.02174	62.4
109.02959	40.4
110.00089	0.8
110.03269	0.8
113.02435	1.6
115.34113	0.6
117.39054	0.7
121.02942	1.7
122.03747	1.4
123.00896	2.3
123.04524	42.4
124.01614	0.6
125.02434	5.0
125.09718	0.8
126.02736	0.7
133.02925	1.0
135.04515	1.7
137.02464	4.1
139.04018	1.3
147.04507	0.9
148.07674	1.1
149.02460	1.6
150.03209	1.4
151.00348	0.8
151.04005	3.3
152.01154	60.7
153.01968	18.2
153.05573	44.9
154.02267	0.7
154.05898	1.7
159.04498	0.7
161.02425	2.3
161.04611	0.9
163.03983	1.6
163.11305	0.8
164.01106	0.8
165.01868	2.0
167.03468	7.1
171.10234	2.5
174.09288	1.5
175.03932	3.6
175.07677	0.9
176.07199	1.0
176.10883	3.6
177.01959	1.5
189.05489	0.8
191.03458	0.8
199.04048	0.8
200.10796	1.9
207.10239	2.0
209.11847	4.7
215.03441	0.8
217.05157	1.1
218.11852	2.2
219.02879	3.1
220.09700	1.4
225.11288	2.4
242.11665	0.8
243.02872	2.2
244.09767	1.5
255.02956	1.1
258.07657	2.2
260.12799	0.9
261.03958	0.8
285.03918	1.1
286.10760	1.1
311.08069	0.9
343.24890	4.7
355.24854	2.4
373.25928	25.4
374.26047	2.1
387.23758	1.1
464.13361	1.3
473.12277	1.4
482.14020	1.3
508.12262	2.6
519.12512	1.0
526.13470	12.7
653.16528	1.2
653.31586	1.5
671.32837	100.0
672.19244	13.1
672.33258	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	671.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.2
59.01369	2.0
59.55412	0.6
61.98826	7.3
63.22580	0.6
63.41351	0.5
68.99792	0.5
71.01371	2.5
73.02934	0.9
81.03455	2.4
83.01451	0.6
83.05047	1.0
85.02943	2.3
87.65928	0.6
88.20750	0.6
88.98792	0.7
89.02436	0.8
93.03459	1.2
95.01374	1.8
96.95975	1.2
97.02956	0.9
99.00887	0.9
101.02451	1.0
106.51032	0.6
108.02175	53.4
109.02962	33.3
113.02429	1.2
119.02628	0.6
121.02953	1.4
123.00890	1.9
123.04494	5.9
125.02422	3.9
133.02933	0.7
135.04494	1.1
137.02484	1.5
151.03964	1.7
152.01151	55.3
153.01947	14.5
153.05585	5.0
161.02457	0.9
163.04007	1.4
165.01848	0.7
167.03464	1.4
171.10248	1.6
174.29625	0.6
179.10725	1.0
185.11871	3.0
201.11304	0.8
207.10332	2.9
209.11827	5.8
225.11278	3.8
227.12756	0.8
252.22722	0.6
289.07199	1.2
295.22638	0.6
343.24881	4.1
371.24380	1.0
373.25919	20.5
373.30655	1.0
374.26282	1.2
479.70410	0.7
509.34717	2.4
649.67511	0.7
653.31616	1.8
671.32813	100.0
672.33142	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3284
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
53.71129	0.6
57.03439	1.0
59.01384	7.9
60.08005	0.6
61.98828	1.6
62.82057	0.6
68.84248	0.7
69.03455	0.7
70.61407	0.7
70.61758	1.9
71.01373	6.0
71.05030	0.7
72.99303	0.8
73.02969	1.9
80.02684	1.3
81.03469	2.7
83.01386	0.7
83.05022	7.1
84.02139	1.1
85.02953	1.8
87.00877	2.4
89.02440	3.7
93.03474	1.3
95.05023	1.0
97.02947	5.5
97.06609	1.7
99.00885	6.9
101.02435	5.9
109.02950	0.6
109.06601	6.8
110.03762	1.7
113.02449	2.7
119.03535	1.0
123.08179	0.9
125.02428	2.3
125.06120	0.7
125.09715	4.6
135.08189	2.2
136.05324	1.0
137.02383	0.8
142.02708	1.3
161.04559	1.2
163.11278	13.1
165.12852	3.8
171.10271	3.4
179.10750	1.0
181.12331	9.8
183.13857	0.8
185.11922	1.7
187.09624	1.1
189.09062	0.7
191.10794	1.0
199.13350	1.4
201.11325	1.0
203.14427	0.9
207.10243	40.5
208.10579	1.7
209.11815	100.0
210.12125	6.4
211.13371	2.7
221.11858	0.8
221.15309	1.0
223.13301	1.0
225.11302	67.2
226.11537	3.8
227.12852	16.1
235.08308	3.3
235.13348	0.8
243.12361	7.3
247.13440	1.0
251.12712	0.8
253.09206	6.0
263.12970	1.0
265.14331	1.0
297.03958	0.6
299.15198	1.0
347.22101	0.8
355.22742	1.0
373.23776	2.7
391.24918	2.3
399.21878	1.6
417.22656	3.0
421.20676	0.8
435.23743	2.3
443.19095	3.3
445.20596	0.8
461.20255	18.6
462.20642	2.0
609.32355	1.9
627.30652	1.4
635.30786	3.5
653.31763	19.2
654.31799	3.0
671.32666	21.5
672.32819	4.6
694.39288	0.7
702.28076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.98829	100.0
62.09603	0.2
62.98547	0.3
68.42424	0.2
71.01389	0.9
73.02946	0.3
78.95908	0.3
81.03458	0.5
81.72878	0.2
83.05040	0.8
89.02456	0.3
95.05009	0.3
97.02969	0.8
98.20751	0.5
101.02460	0.7
109.06593	2.5
111.04459	0.3
113.02433	0.3
125.09725	0.5
135.08075	0.3
145.05032	0.3
157.06639	0.2
157.08708	1.5
158.09024	0.5
163.11266	1.9
165.12862	0.4
171.10265	1.1
179.10867	0.2
181.12450	0.3
185.11818	0.4
189.09224	0.3
199.13649	0.3
199.23369	0.2
201.11259	0.4
207.10260	7.7
209.11803	9.9
210.12206	0.3
211.13307	0.3
222.32182	0.2
223.13338	0.5
225.11298	4.3
227.12897	1.7
235.08263	0.6
253.09351	1.3
294.21497	0.5
301.14145	0.3
399.21954	0.5
417.22888	0.7
443.19449	0.4
461.20398	1.3
635.30597	1.1
653.31592	1.6
670.32159	0.6
671.32971	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
57.61056	0.9
59.01374	9.0
61.98814	3.8
69.18680	3.4
69.19104	6.2
71.01375	8.0
72.55377	0.9
73.02932	2.7
81.03445	1.5
83.01381	1.3
83.05029	2.3
85.02946	2.9
87.00872	1.7
89.02442	3.9
90.79181	0.8
94.27396	1.1
95.05061	1.1
97.02959	5.9
97.06564	1.8
98.20657	2.1
99.00857	3.7
101.02431	6.7
109.06592	5.1
109.23496	0.9
110.03737	1.5
111.08141	1.7
113.02451	3.0
119.03474	1.3
119.05060	1.9
125.02415	2.0
125.09698	2.9
128.55713	1.0
133.63766	1.0
135.08151	1.7
137.02400	1.1
142.02705	1.3
149.02393	1.1
158.91408	1.0
161.04524	1.9
163.11281	10.9
165.01912	0.9
165.12837	10.0
171.10234	3.4
181.12347	18.9
183.13895	85.9
184.14212	4.5
185.11906	2.5
189.09233	1.1
197.11731	2.4
199.13330	1.3
201.11345	2.0
207.10254	46.3
208.10587	3.7
209.11806	31.6
210.12175	2.5
211.13284	3.0
223.13416	1.4
225.11308	71.2
226.11714	4.6
227.12912	10.9
228.13214	1.0
235.08206	5.1
236.27097	1.0
243.12335	4.1
253.09274	6.9
423.07281	2.9
443.19159	2.1
445.20737	3.1
461.20322	13.1
462.21259	1.0
463.21793	5.1
621.32458	2.1
627.34039	2.9
635.30994	1.3
653.31995	3.9
671.32806	100.0
672.33179	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	668.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97863	3.7
53.10167	3.5
56.95235	3.3
59.55800	3.7
61.98831	100.0
78.95890	4.1
85.01768	3.4
120.91901	3.4
135.16556	3.8
135.37172	3.4
139.55603	4.0
152.99597	8.2
158.07034	3.8
160.36409	3.6
164.92271	3.4
255.23405	4.9
357.45074	3.9
527.49805	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	669.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.00597	0.4
59.01374	4.2
61.98810	0.7
69.03455	1.7
71.01376	4.0
71.05016	0.9
72.72934	0.3
72.99302	0.6
73.02930	0.8
79.88239	0.3
80.02672	1.1
81.03435	1.4
83.01352	0.7
83.05025	4.1
84.02166	0.7
85.02950	0.9
87.00865	0.7
89.02440	2.2
95.01357	0.4
95.04999	0.7
97.02914	0.5
98.19913	1.0
101.02439	3.0
109.06565	0.7
113.02426	2.0
119.03497	0.7
125.02448	0.3
125.06089	0.6
125.09708	0.7
135.08133	0.6
149.09767	0.5
151.11327	0.4
161.04562	1.2
161.09772	0.3
163.11288	4.0
165.12836	1.7
167.10793	2.0
169.12344	0.5
171.10284	3.0
177.12799	0.5
179.05595	0.5
179.10757	1.2
179.14409	2.0
181.12376	0.7
191.10739	1.0
195.13887	6.4
196.14194	0.5
197.11842	0.6
199.13344	0.5
205.08961	0.3
205.12321	6.1
205.14087	0.6
206.12576	0.3
207.10205	0.7
209.11812	100.0
210.12181	5.2
216.04842	0.3
223.13377	65.8
224.13716	4.0
225.11307	0.6
227.12871	15.0
228.13245	0.6
235.08192	3.2
253.09270	9.5
254.09657	0.6
261.14816	1.9
262.15512	0.3
415.24881	0.8
441.21103	0.8
445.20728	1.2
446.21542	0.3
459.22272	5.2
460.22723	0.7
476.36496	0.3
633.32764	1.0
651.33722	0.9
669.31512	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35905	0.7
51.03132	0.7
53.80960	0.8
57.03445	0.9
59.01381	10.0
61.98841	1.0
69.03445	2.5
71.01388	7.0
71.05013	1.6
73.02943	1.5
83.05034	0.9
85.02962	1.4
87.00863	2.1
89.02445	4.6
97.06535	1.2
101.02448	5.3
104.74342	0.8
109.06550	1.1
111.08162	2.5
113.02444	2.2
119.03536	1.0
124.99380	0.8
143.03346	1.0
145.05096	0.9
161.04549	1.8
165.12865	11.8
167.10762	4.0
179.10788	1.3
179.14383	4.1
183.13901	82.3
184.14211	5.6
195.13904	12.4
205.12326	10.4
207.10146	1.0
209.11787	5.4
223.13391	74.7
224.13788	3.8
227.12856	6.9
235.08244	2.7
250.19180	0.9
253.09297	7.6
310.68750	0.9
334.28259	0.9
361.27533	1.1
445.20663	2.4
459.22205	5.5
463.21698	5.4
669.34900	100.0
670.35266	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13798	0.6
59.01378	100.0
61.98827	1.8
81.10616	0.6
84.27341	0.6
132.43330	0.6
134.90796	0.6
163.11403	0.7
171.10283	0.9
190.59718	0.6
195.13924	1.3
205.12306	0.8
207.10327	1.8
207.84535	0.6
211.13515	0.8
223.13382	16.0
225.11334	2.2
254.08510	0.9
271.84732	0.8
297.17133	1.1
327.21884	3.2
375.26529	0.6
667.33752	1.2
670.46350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16854	0.9
59.01367	3.7
61.98824	7.6
69.03449	2.0
71.01390	0.9
71.33643	1.7
78.95477	1.4
78.95906	17.9
81.28225	0.9
83.64233	0.9
85.09230	1.3
104.14848	1.0
104.29628	1.0
110.97827	1.6
110.98526	13.3
111.08147	1.1
162.85582	1.0
167.01147	4.6
167.10753	3.2
171.10252	12.6
177.12900	1.3
179.10799	1.3
179.14397	3.1
195.13911	15.2
205.12341	10.8
223.13383	100.0
224.13716	6.7
256.13177	1.1
258.09937	1.0
275.20184	3.5
277.21674	8.3
279.76578	1.1
293.21231	76.0
294.21469	5.7
322.76196	1.1
373.14307	2.4
391.15259	4.9
461.23190	7.9
505.55792	1.2
667.36145	36.3
668.36432	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	667.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24529	1.1
52.92965	0.9
53.80784	1.0
59.01380	83.2
61.05420	1.0
61.98833	7.7
69.03454	1.5
84.07848	1.1
85.02942	1.9
86.04509	1.1
95.05053	1.3
109.06656	1.5
118.68075	1.1
128.22621	1.4
135.08064	1.1
167.10826	1.7
168.91808	1.3
171.10255	5.1
179.14381	2.0
187.53453	1.2
195.13933	5.8
202.52374	1.3
205.12311	5.7
207.10329	3.9
211.13380	4.0
223.13377	100.0
224.13680	7.9
225.11305	3.7
229.14478	1.4
244.39145	1.1
250.37172	1.4
253.09206	1.2
274.43332	1.2
291.19727	1.2
297.17062	2.5
309.20663	3.4
327.21725	19.5
328.22089	1.7
479.14594	1.2
533.34393	1.9
607.38843	1.3
667.23547	1.9
667.33624	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	668.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39349	1.4
55.86488	1.1
57.03449	1.2
59.01356	2.4
61.98824	16.1
71.52053	1.3
83.01377	4.0
88.98811	1.0
89.98352	1.0
91.54729	1.0
93.03467	2.1
95.01356	1.5
97.02933	4.9
102.56065	1.2
103.13798	1.0
108.02177	2.0
109.02953	12.1
113.02492	1.0
121.02931	3.7
121.06561	2.0
122.03680	1.2
123.00906	2.4
123.04533	12.6
124.01670	1.3
125.02457	21.7
129.22644	1.0
132.03009	1.7
135.04480	1.8
137.02419	4.8
139.04010	1.6
145.02939	3.9
146.04655	1.6
149.02464	6.4
150.03084	1.9
151.03986	7.9
153.02005	1.3
159.04504	2.9
160.51157	1.3
161.02444	4.6
161.06044	3.3
161.09688	2.7
162.03200	3.3
163.04008	1.7
163.07686	2.1
165.01874	1.8
165.05586	1.6
169.01418	42.9
170.01767	2.0
175.03934	2.2
177.01799	1.0
177.05638	1.2
187.03947	4.2
189.05603	1.2
190.02734	1.5
193.01360	1.3
203.07082	5.1
205.05159	6.9
205.08693	13.0
207.10190	3.7
217.08647	10.8
219.10220	2.4
245.08002	2.5
246.08870	1.5
247.06046	4.6
256.59061	1.2
259.09723	3.4
303.05109	4.2
307.13467	1.7
310.08313	1.6
325.14340	5.2
333.11108	1.8
351.12277	10.7
369.13406	100.0
370.13782	13.5
400.00046	1.2
521.14471	17.4
522.14832	4.4
668.30249	1.7
668.40619	1.9
669.30304	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	668.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51316	0.6
57.96251	0.7
59.01355	1.8
61.98833	12.6
69.03451	0.9
70.70441	1.7
71.01377	1.7
81.03455	1.1
83.01381	3.7
85.58106	0.6
86.45834	0.7
88.98799	1.2
93.03499	1.2
95.01369	1.3
95.05012	1.5
95.07273	0.8
96.96018	1.2
97.02966	4.0
107.01405	1.3
108.02181	2.3
109.02950	11.3
116.92857	1.4
117.03500	0.8
121.02948	3.7
121.06602	2.3
122.03736	1.3
122.64882	0.7
123.00864	1.6
123.04527	14.0
123.08124	0.8
124.01704	0.9
125.02445	21.0
135.04529	1.3
137.02477	3.5
137.09711	0.9
139.00343	0.8
139.03987	2.0
145.02936	3.8
146.03693	1.4
146.04710	1.0
149.02446	5.1
149.06067	0.8
150.03212	1.6
151.04016	9.4
159.04538	4.7
161.02440	3.7
161.06088	4.8
161.09689	2.7
162.03220	1.9
163.00281	0.8
163.03992	1.3
163.07655	2.9
165.01880	1.2
166.99895	0.9
169.01421	40.7
170.01810	1.9
173.09735	0.9
175.03964	1.3
175.07544	0.9
176.01053	0.7
177.01921	1.1
177.05621	1.1
177.09251	0.9
187.03961	2.9
188.04784	1.9
189.05513	1.4
193.01460	1.2
199.03925	1.1
201.05566	1.5
203.03593	1.0
203.07121	5.7
205.05026	8.0
205.08696	12.9
206.09119	0.9
207.10231	3.4
209.11906	1.3
217.08696	8.8
219.10236	1.7
225.11394	1.0
229.05089	1.7
229.08673	0.9
231.02940	1.6
245.08157	3.1
246.08884	1.2
247.06100	5.7
247.09669	1.3
259.09787	2.2
283.13403	1.7
289.07260	0.9
301.14413	1.0
303.05090	4.1
304.16510	0.7
310.08420	0.8
325.14331	5.5
333.11337	1.2
351.12366	10.4
352.12622	1.4
369.13394	100.0
370.13779	9.6
449.52615	1.0
506.34979	0.7
521.14532	16.5
522.14594	3.5
536.19318	0.8
559.56940	0.8
573.31067	0.7
668.40149	0.9
669.33527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39136	0.1
55.01870	0.1
57.03437	0.7
59.01378	3.7
69.03455	2.1
71.01384	2.1
71.05019	0.8
73.02944	0.6
75.08476	0.1
81.03475	0.1
83.01380	0.4
83.05020	0.4
85.02949	0.6
85.06589	0.5
87.00871	0.6
89.02446	1.6
91.03986	0.1
92.39440	0.1
93.03463	0.3
93.74667	0.1
95.01391	0.2
95.05021	0.4
97.06606	0.1
98.20856	0.2
101.02441	2.1
106.75330	0.1
108.05797	0.2
109.06590	0.7
113.02455	1.3
119.03494	0.4
121.10226	0.1
125.09720	0.4
131.03471	0.2
132.58417	0.1
133.10269	0.2
135.11824	0.2
141.09267	0.2
143.03488	0.2
145.05067	0.3
149.09708	0.5
153.09271	0.3
161.04521	0.8
161.13332	0.4
167.10774	3.1
168.11081	0.1
177.12836	0.8
179.05617	0.5
179.10782	1.2
179.14406	3.3
183.79054	0.1
195.13890	10.4
196.14241	0.7
205.12325	10.1
206.12630	0.6
223.13380	100.0
224.13713	5.8
235.08231	2.5
253.09261	5.4
254.09587	0.3
367.26385	0.3
385.23657	0.4
393.24448	0.2
403.24857	0.2
411.25339	0.7
429.26498	1.2
430.26627	0.3
441.21124	1.3
459.22342	10.4
460.22485	1.1
595.30853	0.3
621.32709	0.5
647.34338	1.0
648.35175	0.2
665.35333	1.0
666.35553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
57.03710	0.1
59.01377	4.1
61.98825	0.2
69.03451	2.5
70.03765	0.1
70.04736	0.2
70.05126	0.3
71.01379	2.8
71.05019	0.7
72.99306	0.2
73.02950	0.5
78.95944	0.1
81.03458	0.2
83.01384	0.4
83.05020	0.4
85.02928	0.9
85.06574	0.5
87.00856	0.6
89.02435	1.5
93.03464	0.3
95.01388	0.2
95.05031	0.5
97.02929	0.2
97.06596	0.2
101.02443	2.5
106.30428	0.1
107.08698	0.1
108.05822	0.2
109.06585	0.7
111.08168	0.3
113.02438	1.2
119.03490	0.5
123.08125	0.3
125.02471	0.2
125.09696	0.4
135.11775	0.3
137.14342	0.1
141.09270	0.2
143.03470	0.3
145.05080	0.3
149.09691	0.7
149.13358	0.2
153.09216	0.3
158.41145	0.1
159.94327	0.1
161.04507	1.1
161.13330	0.4
163.11461	0.1
167.10771	3.2
168.11078	0.1
169.12242	0.1
177.12833	0.7
179.05638	0.4
179.10770	1.4
179.14406	3.5
180.14697	0.3
185.30968	0.1
187.11234	0.2
195.13887	10.9
196.14221	0.5
205.12315	11.1
206.12589	0.8
223.13377	100.0
224.13724	6.1
235.08203	2.5
236.08531	0.1
237.14865	0.1
237.78668	0.1
249.15163	0.1
253.09291	5.0
254.09549	0.4
311.33383	0.1
385.23901	0.2
403.24884	0.2
411.25317	0.9
427.41592	0.1
429.26505	0.9
430.26270	0.2
441.21225	1.4
442.21777	0.2
459.22318	9.9
460.22644	1.1
490.09271	0.1
595.31396	0.3
621.32959	0.3
647.34467	1.0
648.34540	0.1
665.35699	0.8
666.35840	0.3
687.38080	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	665.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89917	0.9
57.03449	6.5
57.99732	0.8
59.01384	15.4
61.98831	23.8
69.03439	0.9
69.05298	0.9
71.00211	1.9
71.00556	0.9
71.01386	8.0
73.02927	2.2
81.03432	1.8
83.01350	1.1
83.05023	6.2
85.02951	2.5
87.00868	3.2
88.98808	1.9
89.02441	7.6
95.05014	2.1
97.02991	0.9
97.06583	14.8
99.00867	4.3
101.02451	5.8
103.95264	1.0
108.02187	0.9
109.02931	2.3
113.02452	4.5
116.92870	7.8
117.92877	1.0
119.03515	2.1
123.00800	0.8
123.04493	2.1
123.08172	6.6
124.01645	1.1
125.02447	5.1
125.09722	100.0
126.10040	3.7
135.08064	0.9
143.03456	1.5
143.10754	1.0
148.31140	0.8
149.04501	1.2
151.04056	0.9
161.04533	2.8
161.09738	2.0
161.13309	1.2
163.04074	0.9
163.11316	3.5
165.12823	2.0
168.00653	1.8
169.08699	2.3
171.10237	0.9
171.17868	0.9
174.54591	0.9
187.09755	64.8
187.11235	2.8
188.10086	3.1
189.09314	1.5
194.13913	0.8
205.12390	1.0
207.10251	1.5
209.11819	52.2
210.12177	2.9
223.13354	3.5
227.12860	3.6
235.08228	1.8
237.14221	0.9
249.11273	2.7
253.09332	4.1
267.12311	1.9
289.06946	1.5
405.17609	4.9
415.15891	4.0
423.18759	11.3
615.30359	6.3
633.31256	99.6
634.31543	18.9
665.26764	12.0
666.28436	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	11.1
61.98827	26.8
69.32463	6.0
69.32861	21.9
71.01379	4.8
82.02991	7.4
85.02981	4.1
88.98800	9.9
89.02419	4.3
93.03411	3.4
94.02986	88.5
95.03262	3.7
96.04589	4.5
96.96004	22.0
102.11252	3.0
105.05879	4.9
108.04578	4.9
109.02943	5.3
110.06121	13.4
113.02440	5.9
113.06071	5.9
120.08189	72.2
122.06129	23.1
123.04595	3.3
125.02428	8.3
137.02422	9.0
138.05609	37.8
144.04530	10.4
151.00412	3.2
151.04015	5.8
152.07137	6.2
160.04077	4.4
164.07051	3.3
165.05554	4.8
169.01443	5.3
174.05586	8.4
177.40268	3.0
188.03488	4.0
201.04059	6.8
203.05881	11.8
215.11868	5.1
219.06627	9.8
223.08772	6.4
234.32980	4.2
236.09557	8.4
237.10342	13.7
239.11900	5.5
249.10262	6.6
249.13936	3.4
251.11880	43.2
252.12520	6.5
253.09587	3.2
253.13359	3.6
261.12466	4.8
263.08115	4.3
264.08878	12.0
265.09967	3.0
265.13455	13.0
268.08466	3.8
276.09045	7.2
277.09808	33.7
278.10550	18.2
279.11456	7.8
281.09204	3.7
283.10980	7.0
291.11401	34.8
292.12189	40.1
293.12881	49.1
294.13510	7.7
319.10950	7.9
324.11111	9.7
325.11832	6.8
335.10278	12.8
336.11115	16.0
337.11792	14.1
343.12656	4.0
344.13834	3.2
346.15704	7.4
358.15414	4.3
360.17114	12.2
372.17197	14.7
374.18750	7.4
388.16403	5.2
390.18137	10.2
391.18954	4.1
400.16690	3.5
402.18140	4.0
406.17294	7.0
414.18082	17.1
418.17874	16.5
432.19443	14.9
433.19885	3.9
436.18973	4.7
447.17700	6.8
458.17105	7.2
459.17960	11.7
476.18222	21.7
477.18994	19.0
478.19608	8.6
490.19745	12.0
496.20639	6.5
508.20895	70.0
508.78516	3.9
509.21228	8.9
511.23227	6.5
529.24677	16.6
553.24475	8.3
555.22595	9.1
571.25598	9.2
573.23517	50.4
574.24109	7.5
585.24304	4.6
587.25018	12.8
589.26471	5.3
597.23419	10.4
601.93848	4.1
603.25287	7.2
605.26074	88.3
606.26660	14.8
615.24463	50.9
616.24921	8.5
629.25800	8.6
633.25696	100.0
634.26465	17.2
647.27289	46.4
648.27393	11.3
665.19061	4.1
665.28387	57.1
666.28265	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	663.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29576	1.0
59.01378	14.9
61.98826	12.7
65.60669	1.2
69.36137	4.5
69.36560	3.3
71.01378	3.3
72.99295	1.3
73.02965	1.4
83.01415	1.2
88.98817	1.5
89.02453	1.5
94.02994	2.9
96.96016	6.2
106.06606	1.4
108.04554	3.6
110.06126	4.9
116.92811	1.5
120.08194	2.4
121.05350	1.4
122.06119	11.6
123.04517	1.1
124.04061	5.9
125.02464	2.3
130.06622	1.4
132.03008	1.3
136.04031	4.9
137.02483	3.2
137.04767	2.3
138.05650	6.3
143.97934	1.2
144.04541	1.8
145.02827	1.1
145.08702	3.2
147.05655	2.8
150.05598	6.7
153.01949	1.2
160.04021	1.6
161.04797	2.4
162.05565	1.9
163.03886	1.2
168.06633	1.8
169.50159	1.2
174.05614	3.8
175.05168	2.8
188.75897	1.1
201.10324	17.6
203.05786	2.0
213.10347	9.1
215.11850	2.4
227.11946	4.3
229.09854	20.4
229.13416	6.8
229.53134	1.3
237.10361	2.4
239.11913	10.1
241.09859	3.3
243.11499	1.2
245.12982	2.8
247.10849	3.1
255.11378	5.1
257.12888	5.4
267.11462	3.6
271.10852	2.3
273.12381	6.3
279.11548	1.1
281.09213	2.6
283.10947	3.5
283.21307	1.4
287.10297	1.4
289.07135	1.9
289.11765	5.9
301.11920	24.2
302.12518	2.2
303.73279	1.3
309.12265	2.1
319.12988	100.0
320.13376	7.3
327.13467	3.5
330.12607	1.8
342.12323	2.1
343.13135	4.0
344.14090	2.2
346.15894	1.7
358.15656	2.4
365.10330	1.6
372.13358	2.5
377.13895	2.0
378.18222	1.7
379.19293	1.4
386.15134	4.2
387.15808	2.0
388.16733	3.4
391.27060	2.2
400.16968	1.5
403.15079	3.5
404.16238	10.0
405.16632	4.1
406.17813	2.5
414.14590	4.0
416.16330	1.3
419.14825	3.1
428.16052	3.3
429.17053	2.3
432.15753	3.6
437.15967	4.9
446.17169	3.2
447.18338	2.0
448.18372	1.4
468.09686	1.5
509.21924	1.7
515.22821	1.8
515.48474	1.2
519.26074	1.4
525.19708	1.4
527.23022	8.3
528.23315	1.5
539.23169	1.6
545.16724	1.7
545.24225	19.8
546.24445	3.5
551.23004	2.5
557.24243	1.7
569.24194	17.6
570.24524	1.9
587.25104	59.5
588.25494	9.6
590.23730	2.7
591.23828	2.2
601.23975	2.9
613.23163	8.4
614.23712	1.3
631.24091	74.1
632.24347	15.4
645.25714	5.0
663.26691	44.6
664.27100	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	662.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83564	1.0
59.01372	2.8
61.98831	4.0
65.00309	5.5
68.99805	1.1
69.18670	10.6
71.01376	6.6
88.04041	37.9
89.04375	1.3
89.42255	1.0
96.96011	3.5
101.50256	1.1
109.02934	2.5
114.01980	4.0
115.00375	12.5
117.07110	2.3
121.02930	1.6
121.06573	6.7
123.04520	8.9
125.02460	1.7
125.27379	1.0
132.03023	97.6
133.03149	1.6
135.04506	8.2
137.02452	1.8
145.02907	1.2
145.06601	8.0
147.04570	1.5
149.02443	4.9
150.03227	13.3
151.00366	1.1
151.04010	22.0
158.03711	1.7
161.02501	2.1
161.09705	3.1
163.00372	3.4
163.07646	8.4
165.01888	1.8
170.30692	1.0
173.05730	1.1
175.03981	6.1
177.01924	8.6
187.07617	11.1
189.05553	2.0
191.03513	2.1
201.01884	3.9
202.84586	1.1
203.03450	4.4
203.07118	2.3
204.07916	3.1
205.08691	16.6
206.09016	1.6
217.05025	5.6
219.03021	1.4
231.06604	50.7
232.07317	19.9
233.08017	3.1
244.43607	1.1
259.06110	11.2
260.06839	3.9
261.07520	1.6
295.54910	1.1
297.03906	1.3
297.09708	1.3
309.04016	3.4
310.04745	3.5
323.07883	1.2
335.05569	1.3
337.10724	1.9
355.12057	5.0
365.10269	74.9
366.10632	7.5
382.10477	2.0
383.11356	34.7
384.11636	2.5
489.85638	1.4
529.17133	100.0
530.17609	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	661.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.9
61.98830	3.5
63.83360	0.9
69.18116	10.0
69.98264	1.0
70.34344	0.9
71.01389	2.2
78.95933	0.8
89.02466	1.8
98.67356	0.9
101.02441	2.7
119.05022	1.5
124.19839	1.1
125.09724	1.9
127.11300	1.7
146.29720	1.0
152.47495	0.9
161.04593	1.9
171.10265	100.0
172.10651	4.8
183.13913	4.5
197.11874	1.4
211.13383	84.3
212.13724	4.0
235.08189	3.5
253.09276	6.3
267.68356	0.9
407.19144	5.3
429.20923	1.1
447.22440	5.7
506.42715	1.0
601.31921	1.1
661.35156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03453	4.8
59.01385	4.0
60.75969	0.5
61.98833	3.3
69.03455	0.8
71.01380	4.0
73.02957	1.6
78.95913	1.9
83.01390	0.5
83.05003	0.9
85.02955	1.4
87.00872	2.3
89.02454	2.2
95.05019	1.4
97.06589	13.0
98.20650	1.2
101.02428	3.7
112.44351	0.4
113.02448	2.1
119.03505	0.5
122.52892	0.4
123.08168	8.7
124.08512	0.5
125.09724	80.9
126.10050	2.6
143.10733	0.8
145.05043	1.6
152.99611	0.7
161.04559	1.5
169.08717	1.6
178.73967	0.6
187.09750	33.3
188.10094	1.2
197.11797	0.4
235.08214	2.9
253.09306	2.1
255.23283	57.0
256.23621	3.9
293.21350	0.9
294.21759	0.6
405.17606	3.8
423.18765	3.7
542.13354	0.5
643.40002	0.6
661.41687	100.0
662.42010	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	659.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
78.15330	5.0
78.95909	29.4
89.97788	4.6
98.19785	12.8
129.90715	4.9
152.99590	14.6
209.11836	24.2
211.13335	6.1
255.23463	7.0
295.22647	7.1
363.11923	7.1
481.79492	6.0
623.34100	9.2
659.34546	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	659.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01702	0.5
60.97231	0.4
61.98833	5.6
69.83063	0.4
78.95898	3.7
96.96947	0.8
101.70890	0.4
127.91481	0.4
145.61777	0.5
147.56868	0.4
152.99632	2.0
154.64760	0.4
171.10197	0.5
213.05901	0.5
213.08855	0.4
229.03419	0.5
255.23378	0.6
279.23416	1.7
326.80435	0.5
350.79663	0.4
361.10718	0.7
362.57468	0.4
659.36176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23441	1.8
59.01380	3.9
61.98826	3.5
65.00327	7.0
69.49540	5.7
69.49948	5.5
83.01365	2.0
89.20980	1.8
93.98728	1.9
96.96006	1.9
107.01355	1.7
108.02134	2.4
109.02950	5.3
114.01992	2.1
115.39391	1.7
117.50048	2.1
119.04980	1.6
121.06615	9.1
123.04510	12.9
125.02455	4.9
132.03062	2.6
133.02888	3.1
135.04535	13.1
137.02486	1.8
145.02995	1.8
145.06573	13.4
147.04553	2.0
149.02437	5.6
150.03223	16.0
151.00362	2.4
151.04010	24.4
161.02426	2.8
161.09732	5.0
163.00330	3.5
163.07652	10.8
164.01094	3.0
165.01892	3.8
175.03996	7.0
177.01920	12.8
179.62433	1.7
187.07608	12.3
189.05518	2.2
201.01965	3.5
203.03476	5.4
204.07878	4.2
205.08679	17.4
217.05058	7.4
219.02884	2.0
231.06584	56.8
232.07355	16.9
233.08032	4.3
259.06088	17.5
260.06647	2.4
285.03891	2.3
297.09814	2.9
309.03998	4.7
310.04745	5.1
321.11130	2.3
355.11816	4.6
365.10275	100.0
366.10471	10.7
380.77808	2.0
382.10388	5.0
383.11267	45.9
384.11774	5.5
408.19714	1.9
529.17133	90.1
530.17474	13.6
631.37756	1.9
661.20697	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	659.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	28.6
61.98821	93.2
63.56322	20.3
64.06300	22.2
71.01355	26.9
78.95905	84.7
93.11256	21.2
94.18077	20.1
100.38335	21.7
125.02484	46.5
152.99550	82.3
169.12292	26.6
209.11855	58.4
210.12012	23.2
211.13524	39.2
213.63214	23.0
219.06665	22.8
219.53810	23.5
227.12889	38.9
229.13805	25.4
295.22617	28.5
363.12131	31.8
405.26154	31.3
602.20422	26.0
623.34290	100.0
659.34180	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68188	0.7
53.75467	0.8
56.14069	0.7
57.03434	1.4
59.01377	14.7
61.98536	0.9
61.98827	13.2
69.03438	1.4
71.01371	10.3
71.52419	1.1
72.99290	1.9
81.03425	1.0
83.01378	5.8
85.02936	3.2
89.02451	7.2
93.03451	2.0
95.01382	1.8
95.05011	2.3
96.95998	2.0
97.02953	5.8
99.00895	0.7
101.02451	5.8
102.05595	0.8
104.73632	0.7
108.02162	2.3
109.02950	14.5
109.06620	0.7
111.00895	1.1
113.02420	3.2
116.92809	1.0
119.03500	1.5
119.04941	1.2
121.02944	5.9
122.03730	3.4
123.00841	1.0
123.04514	13.9
124.01649	1.7
124.04781	0.8
125.02433	14.0
128.03513	2.0
135.04501	3.1
137.02444	12.0
138.03191	1.0
138.40923	0.8
139.03984	2.9
143.04601	2.1
145.02959	1.3
145.06226	0.8
145.08640	0.7
146.03645	1.4
148.04039	1.1
149.02425	7.2
150.03174	2.1
151.00337	0.8
151.04047	5.5
152.01102	2.2
153.01965	2.0
154.02707	1.2
159.04509	2.2
161.02400	3.3
161.06070	6.0
162.03154	2.0
163.00449	0.9
163.03955	2.9
163.06194	0.9
164.01100	2.5
165.01923	9.0
165.05579	1.3
167.03491	1.9
169.01408	7.2
175.03967	1.9
176.01117	1.4
177.01878	2.2
177.05566	1.9
179.03439	2.5
187.04005	2.4
188.04694	1.5
190.02649	1.0
191.03531	1.2
193.05070	1.1
195.06587	1.0
201.05551	0.9
201.12747	1.0
203.03563	1.2
203.07111	4.4
205.05017	8.9
207.10214	0.7
208.09723	1.8
211.04134	0.7
221.04587	1.8
223.09735	0.7
231.02933	1.4
231.06532	1.5
232.07405	1.1
233.08212	1.0
238.10815	1.7
245.08200	1.2
247.06105	3.0
283.13443	1.1
283.84448	0.8
288.06421	0.9
289.07092	7.3
294.70163	0.8
297.14835	0.9
306.07492	1.9
311.12885	2.0
317.14294	0.8
347.14966	3.6
349.10730	2.7
355.15353	0.9
369.13361	1.3
391.19073	1.6
435.17975	2.1
463.19910	1.5
479.13791	1.7
479.20682	7.1
507.22345	1.7
513.17554	5.6
535.22247	0.9
615.24866	1.7
659.26984	100.0
660.27350	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	657.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09636	0.4
57.03439	0.8
58.00587	0.5
59.01376	4.3
59.20477	0.5
61.98830	8.8
65.20122	0.4
65.98914	0.5
66.45824	0.4
69.03486	0.5
70.53189	1.2
71.01384	3.8
73.02943	0.7
80.02690	0.7
81.03446	1.1
83.01381	0.9
83.05032	2.2
85.02929	0.9
89.02436	2.3
95.01366	0.6
96.95980	0.7
99.04533	0.9
101.02429	2.7
102.63517	0.4
104.82404	0.4
109.02952	1.0
109.06635	0.5
113.02432	1.4
113.06049	0.6
119.03481	0.7
121.02938	0.6
123.04545	1.2
124.01598	0.5
125.02429	1.8
135.08205	1.0
137.02454	2.1
137.06020	0.5
149.06067	5.8
150.06857	47.5
151.07333	1.9
161.02512	1.0
161.04573	1.1
161.06065	0.5
161.09731	0.9
163.07637	10.2
163.11334	2.4
164.08449	5.0
165.08765	0.8
165.12805	1.0
171.10243	2.1
174.26779	0.5
176.08493	1.1
178.09999	3.6
179.10765	20.9
180.11139	0.9
183.13911	5.2
185.11839	0.5
193.12329	1.7
205.08643	0.7
209.11818	50.7
210.12212	3.2
211.13385	71.6
212.13719	4.7
218.62386	0.5
227.12857	9.4
229.14407	1.6
235.08240	2.0
243.06538	0.5
245.08113	0.7
249.14978	2.4
253.09273	6.4
253.40190	0.4
282.04672	0.5
289.07254	2.4
403.24545	0.8
421.25772	0.5
447.22452	3.1
452.41046	0.6
462.33575	1.0
468.29501	0.5
477.35703	0.8
480.34528	10.0
481.34686	1.6
487.13809	0.7
494.36072	5.9
495.36884	100.0
496.37210	12.7
496.44507	0.5
505.15067	0.6
621.32715	0.7
639.33209	1.1
655.18768	0.6
657.33704	1.8
657.42023	2.4
658.42664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32401	0.5
52.66862	0.7
53.46911	0.5
55.01856	0.6
57.03445	0.8
57.33659	0.4
59.01382	5.9
69.03437	1.1
71.01399	4.6
83.05006	0.9
85.02942	1.4
86.00143	0.6
87.00883	1.5
89.02431	3.8
101.02441	4.4
106.79036	0.6
109.41173	0.5
110.75143	0.5
111.08147	0.8
113.02433	2.5
116.77949	0.6
119.03488	1.0
125.02402	1.9
143.03561	0.7
143.05035	0.5
145.04990	0.7
151.04037	0.7
161.04564	1.6
165.12839	9.0
167.14377	0.9
183.13887	95.7
184.14230	4.8
193.12341	1.7
199.13525	0.7
209.11816	11.1
210.12184	1.0
211.13380	100.0
212.13734	4.3
227.12880	7.5
230.28056	0.6
235.08235	3.6
253.09309	7.0
373.87891	0.6
412.49307	0.6
419.23593	0.8
445.20789	2.5
447.22211	2.8
463.21762	6.1
510.41595	0.6
586.29456	0.6
639.33276	1.0
657.34882	78.4
658.35229	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	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68518	0.3
56.82121	0.3
57.03441	0.9
59.01381	4.9
61.98816	0.8
69.03469	0.5
69.16376	1.6
69.16796	1.8
71.01379	2.9
72.11558	0.3
73.02966	0.9
79.85645	0.3
80.02676	0.9
81.03454	0.9
83.01382	0.6
83.05029	4.4
84.02159	0.5
85.02953	1.0
87.00883	0.9
89.02447	2.6
95.05012	0.5
98.19881	0.8
101.02449	3.3
109.06585	0.5
113.02420	1.8
114.41937	0.3
114.69877	0.3
119.03519	0.5
125.02443	3.7
125.06073	0.6
126.80810	0.3
129.42133	0.3
135.08170	0.6
143.03601	0.4
145.05028	0.7
149.07610	0.3
151.04008	0.5
161.04568	1.1
163.11276	3.0
165.12831	1.9
167.10759	0.3
167.14427	0.5
171.10320	1.8
179.05565	0.5
181.12419	0.6
183.13907	6.7
185.11893	0.6
191.10770	0.9
193.12363	2.0
199.13380	1.4
205.12920	0.4
207.10320	0.4
209.11824	100.0
210.10318	0.5
210.12186	6.9
211.13387	99.4
212.13724	6.1
227.12877	15.9
228.13313	0.9
235.08226	3.1
248.13808	0.3
249.14883	1.6
253.09282	9.3
254.09598	0.4
282.69525	0.4
287.80283	0.3
289.80411	0.3
313.73520	0.4
403.24805	0.9
421.25812	0.7
445.20767	1.3
447.22272	3.5
448.22153	0.4
448.71115	0.4
463.45111	0.3
621.32886	1.4
639.33502	1.0
657.34680	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	657.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.4
59.01384	11.6
61.98826	57.2
62.14893	2.3
69.03461	3.0
71.01380	8.9
78.95898	8.2
81.03450	10.3
83.01392	13.8
83.05039	2.9
85.02943	2.8
87.00883	2.6
88.98808	2.8
89.02458	5.3
93.03434	6.1
94.33457	2.2
95.01357	2.6
95.05025	7.5
96.95970	5.4
97.02953	10.7
99.04517	6.5
101.02425	3.2
107.05006	4.0
108.02161	4.3
109.02959	28.3
113.02470	3.0
116.92819	3.8
119.05008	4.3
121.02940	8.9
123.00899	4.1
123.04505	18.3
124.01649	6.9
125.02453	38.3
133.02916	2.9
135.04536	3.9
136.05305	3.4
137.02443	64.8
139.04031	13.9
146.03664	4.7
147.04482	2.9
149.02411	14.1
150.03157	3.1
151.00317	3.4
151.03995	18.0
151.22961	2.3
152.99568	5.2
153.01912	2.7
157.06758	3.3
159.04492	5.6
161.02448	7.4
161.04630	4.7
161.06052	7.9
161.09682	3.3
162.03131	3.4
163.04016	9.9
164.01141	9.7
165.01933	18.2
165.05559	7.2
165.12790	2.6
167.02153	5.0
167.03497	70.7
171.10281	4.2
173.06062	3.8
174.37280	2.6
175.04054	3.6
175.07610	6.9
176.39029	2.5
177.01913	4.7
177.05496	3.1
179.03493	19.5
187.03964	3.0
187.07625	10.3
187.11287	3.9
188.04695	3.0
189.09241	3.5
201.09312	3.7
202.06340	2.8
203.07091	15.2
205.05096	12.7
209.11800	13.3
211.13287	10.0
215.07097	5.2
241.01247	2.6
245.08150	17.2
247.06099	2.9
253.09187	3.4
271.06152	4.4
289.07184	100.0
290.07486	6.1
301.07166	5.3
315.08679	10.7
319.15390	2.8
337.10703	3.2
341.10229	3.6
341.23288	4.5
361.16583	4.8
363.14615	6.5
367.11890	18.9
373.25961	16.3
385.12573	2.6
386.31946	2.5
489.15567	5.7
505.15030	9.7
506.15244	3.3
519.16486	6.5
656.33319	8.6
657.19647	25.8
657.33099	23.2
658.19861	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	656.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33266	0.3
59.01379	1.1
61.98829	100.0
69.52198	0.3
71.01399	0.4
94.50848	0.3
109.06570	0.6
157.13351	0.3
158.49092	0.3
183.13914	0.7
207.10269	1.1
208.10712	0.7
209.11842	0.8
211.13376	3.6
212.13762	1.3
225.11336	0.7
226.11800	0.5
227.12842	0.4
402.23489	0.4
462.21005	0.4
572.03656	0.3
593.37622	0.5
609.89929	0.3
638.32886	0.7
656.33716	1.6
684.01123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20843	0.4
54.39542	0.4
56.72109	0.4
65.62415	0.4
69.72145	2.4
71.01371	2.2
83.04976	0.4
85.02959	2.3
87.91151	0.4
93.03411	0.5
95.01359	1.1
98.20573	0.5
99.00881	0.5
101.02414	0.7
108.02171	51.8
109.02975	16.1
113.02400	0.8
121.02957	0.8
123.00897	0.7
123.04550	0.8
127.04018	0.7
133.02933	0.4
134.03780	0.5
151.03990	1.2
152.01144	50.3
153.01939	20.1
154.02229	0.6
155.03546	0.5
163.03973	1.4
165.01956	1.3
225.04160	0.5
267.88058	0.4
315.07202	100.0
316.07526	6.7
341.05026	0.6
369.03760	0.5
608.45624	0.5
657.15588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84938	0.6
55.01858	0.8
57.03436	1.0
58.64774	0.7
59.01377	11.1
61.98827	3.0
69.03448	1.4
70.98417	2.1
71.01379	9.6
72.99300	0.7
73.02936	3.0
81.03454	1.5
82.29228	0.7
83.01366	1.3
83.05032	1.7
85.02499	0.7
85.02922	3.4
87.00889	3.5
87.11305	0.7
89.02452	4.4
95.05034	2.5
97.02959	6.2
97.06593	1.8
99.00845	1.1
101.02453	7.7
106.04259	0.8
107.05005	1.0
109.06586	12.5
110.03747	1.7
110.06927	1.0
113.02431	4.4
119.03492	1.5
121.06609	2.0
125.02409	1.0
125.09721	2.8
134.69315	0.7
135.08185	1.9
135.81502	0.8
136.05273	1.8
142.02716	2.2
145.05054	1.5
161.04585	2.6
161.09695	2.0
163.11267	9.8
163.34329	0.7
165.12811	2.0
167.14368	1.2
171.10300	2.2
179.05576	1.1
179.10716	0.7
181.12325	3.0
183.13896	20.1
185.11804	5.6
187.09808	1.0
193.12314	2.8
207.10255	51.0
208.10664	2.6
209.11818	28.3
210.12122	0.9
211.13388	100.0
212.13760	4.8
221.11742	0.8
221.15465	1.4
223.13428	1.5
225.11314	22.5
226.11740	0.8
227.12856	3.7
231.13878	0.9
233.11784	1.5
235.08217	7.5
247.13367	2.8
249.14906	2.4
251.12810	2.1
253.09296	10.9
263.16510	1.1
265.14465	1.0
275.16400	0.8
277.17853	0.9
281.13739	0.9
298.27515	0.7
299.14954	1.4
320.06985	0.8
329.24960	1.6
339.23193	2.8
355.22983	1.0
357.24246	2.5
368.78131	0.7
373.23798	4.3
375.25549	1.4
383.22061	7.9
391.24863	4.3
393.22958	1.0
401.23322	17.7
402.23801	2.4
419.24365	9.1
443.19180	2.8
447.22128	3.0
461.20236	7.0
463.21957	1.1
609.32617	4.2
619.31659	2.3
637.32269	35.6
638.32410	5.2
655.33337	53.8
656.33771	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	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	6.2
59.01379	23.4
61.98812	1.9
62.30773	1.6
69.03451	5.1
70.81673	1.6
70.82768	3.7
71.01382	22.8
72.99317	2.6
73.02921	3.6
73.05740	1.8
81.03442	4.5
83.01383	4.8
83.05013	6.8
85.02940	7.5
86.81483	1.6
87.00868	7.8
89.02448	9.8
91.05481	2.1
95.01380	3.0
95.05022	9.8
97.02934	2.9
97.06584	3.3
99.00841	2.3
101.02438	14.5
107.05041	2.2
109.06589	15.3
111.08123	2.5
113.02428	7.0
119.03457	2.2
121.06588	4.6
122.82262	1.7
125.02409	3.8
125.09695	3.7
127.11286	2.5
133.06514	2.2
135.08116	2.2
137.09633	3.1
145.05066	3.8
149.09683	6.1
157.08694	3.1
161.04559	5.9
163.11240	6.6
171.10266	100.0
172.10576	2.3
179.05602	2.7
183.10239	9.7
183.13821	2.8
185.11839	4.0
189.09169	3.5
194.27046	1.7
197.11844	2.6
203.14417	8.6
207.10229	34.0
209.11800	26.4
209.15378	2.4
211.11465	3.2
211.13385	40.9
212.13614	2.2
219.13867	5.6
223.13277	4.8
225.11311	25.4
227.12746	2.3
229.12308	5.3
229.14450	9.4
231.13730	2.8
235.08263	11.3
235.13351	3.2
237.12854	1.9
237.14911	10.6
247.13383	37.8
248.13683	2.1
253.09331	17.7
253.14455	7.6
265.14474	17.0
293.17209	2.0
313.25739	1.9
329.24902	3.0
347.25925	2.3
357.24319	3.3
365.21451	1.9
373.23727	4.5
383.22131	12.2
384.22626	2.1
391.24854	17.8
401.23355	18.9
407.19095	3.7
409.25824	11.8
419.24319	16.0
437.25540	8.0
443.19080	3.4
447.21890	2.0
461.20111	6.8
462.20450	1.8
483.22601	2.4
573.81604	1.9
609.32477	3.0
619.31366	13.3
620.31366	2.2
627.33856	15.9
628.34039	3.3
637.32300	34.7
638.32159	2.9
655.33228	53.0
656.33557	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	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92611	0.6
50.96011	0.5
57.03447	4.3
59.01380	33.6
61.98827	10.2
69.56627	4.2
71.01378	9.1
72.99286	1.0
73.02933	1.4
79.05537	0.7
83.01360	1.5
83.05023	2.7
85.02950	2.9
87.00871	5.5
88.98801	1.9
89.02445	7.4
93.03436	0.9
95.01372	0.9
95.05022	1.4
97.06583	1.0
101.02435	5.0
105.07115	0.7
107.05032	4.9
113.02451	3.4
117.03479	1.1
119.03487	2.2
119.04966	1.1
120.05848	3.7
121.06580	0.6
122.03750	0.9
123.00876	1.2
123.04521	1.0
124.01659	2.0
125.02437	2.9
131.03461	0.8
133.06635	0.9
135.04495	2.8
137.02441	1.4
141.05455	0.8
145.02925	2.0
146.07428	0.6
147.08147	0.8
149.06126	0.9
151.04033	0.7
152.04779	1.4
157.06572	1.5
159.08167	1.2
159.11806	1.1
161.04555	0.8
161.08485	1.2
161.09734	17.6
161.11099	0.9
161.13388	6.5
162.10036	1.3
162.18336	0.7
163.11287	2.5
165.01973	0.7
166.44763	0.6
169.01416	1.4
179.03488	1.0
179.05647	0.9
179.10713	1.6
186.15514	0.6
187.11288	18.6
188.11630	1.5
189.09203	12.2
203.10730	1.6
205.12306	6.9
207.10245	2.3
209.11829	10.4
227.12830	1.9
231.10191	1.6
249.11299	9.9
253.09146	1.0
267.12442	4.4
269.04477	1.0
287.14877	3.3
292.02692	0.7
299.11356	1.0
353.10089	0.7
371.24301	3.0
373.26013	2.4
374.37079	0.7
389.18042	0.9
449.20441	1.2
511.25223	1.4
637.32111	2.5
655.33337	100.0
656.21149	0.8
656.33673	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.0
58.00593	1.3
59.01378	27.1
59.03115	0.7
60.36478	0.7
61.98830	18.9
68.99585	0.9
71.01382	11.6
72.99296	1.4
73.02976	1.2
79.05530	0.7
79.50260	0.7
80.02699	1.0
81.03448	1.3
83.01407	2.1
83.05021	7.2
85.02951	1.9
87.00874	5.5
88.98810	2.8
89.02433	6.8
93.03449	2.6
95.01390	1.3
95.05020	2.2
96.96009	1.2
97.06623	1.0
101.02451	7.1
107.05018	2.7
108.02196	1.1
109.02953	1.6
109.06577	1.1
110.09093	0.7
113.02450	3.2
116.92841	2.1
119.03488	2.1
119.05021	1.5
120.05811	2.4
121.02913	0.8
121.06596	0.9
123.00871	0.8
123.04522	1.0
125.02457	2.4
125.09738	1.2
131.03392	1.1
135.04524	1.2
135.08148	2.0
137.02441	2.9
137.06046	1.1
139.03975	1.2
147.08128	1.2
151.04089	1.2
152.04808	1.2
159.08171	0.9
161.02472	0.9
161.04570	1.9
161.09732	12.4
161.13411	4.3
163.11299	4.8
165.01929	1.0
165.12878	2.2
169.01427	1.3
171.10257	4.0
179.05659	1.4
179.10704	1.1
185.11804	1.0
187.11302	14.8
189.09200	8.9
189.12865	0.8
191.10800	1.4
203.10883	1.4
205.12347	5.3
207.10260	5.1
209.11829	100.0
210.12206	4.0
211.13416	1.1
223.13364	1.3
225.11353	0.8
227.12923	6.3
231.10149	0.9
235.08249	1.1
243.06552	3.7
247.13322	1.9
249.11288	5.2
253.09241	5.7
265.14404	1.4
267.12354	4.4
289.07214	0.8
333.78903	0.7
343.75186	0.7
371.24463	1.9
373.26044	1.8
401.23450	1.9
419.24521	1.9
445.20322	1.4
511.25888	1.2
619.30621	1.1
637.32336	5.4
650.45007	0.8
655.33344	77.7
656.33716	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	655.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79736	0.5
59.01375	3.3
60.06285	0.6
60.99307	17.7
61.98534	1.0
61.98831	14.0
65.76289	0.5
65.90215	0.6
69.42064	1.4
69.42475	3.3
71.01380	1.3
87.04461	0.5
88.98804	100.0
89.02451	0.9
89.99151	0.8
93.03451	1.4
96.96000	1.5
101.02464	0.8
104.06312	0.6
108.38329	0.6
109.02959	1.0
119.05048	0.6
122.36431	0.5
123.04522	1.7
125.02472	3.8
137.02434	3.8
138.01947	1.1
151.04010	1.4
161.02426	0.8
161.09676	0.6
167.03479	3.3
169.01410	1.6
170.01791	0.6
189.09134	0.6
209.11775	5.7
227.12892	0.7
245.08005	0.8
292.44955	0.7
313.42395	0.6
369.13275	0.9
370.13736	1.7
373.25946	0.8
655.34351	3.2
656.20343	0.6
676.63458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.24439	0.4
57.03435	1.4
58.00582	1.7
59.01379	40.7
60.01716	0.5
61.98826	9.6
64.22079	0.5
67.31538	0.4
68.99800	0.5
69.03455	2.3
71.01379	37.8
72.01717	0.7
72.99303	2.4
73.02947	6.9
75.00862	0.9
81.03444	1.9
83.01391	4.2
85.02950	7.5
87.00865	8.7
89.02442	33.4
90.02780	0.5
90.24580	0.5
91.03989	0.8
95.01369	3.1
97.02950	7.1
98.03242	0.5
99.00880	1.9
101.02439	28.5
102.02768	0.7
107.33841	0.5
111.00878	0.6
111.04499	0.5
113.02449	13.5
114.46490	0.5
119.03504	11.4
121.02999	0.6
125.02443	14.0
131.03468	1.7
133.05037	1.0
139.04033	0.8
141.01959	0.6
143.03481	6.5
149.02405	0.6
149.04553	1.5
152.18820	0.5
161.04543	7.2
167.03477	1.1
177.38142	0.6
179.05589	7.8
181.05037	0.5
185.04668	0.6
199.06198	0.6
203.05653	0.7
207.10446	0.5
208.30998	0.6
209.11909	0.5
211.13361	1.1
217.07138	0.9
221.06621	2.6
223.13335	1.4
235.08218	14.4
236.08557	0.6
245.06468	0.8
253.09290	3.2
255.23276	100.0
256.23639	7.8
263.07764	1.4
269.24835	0.7
277.09174	1.1
287.07748	3.1
305.08688	3.5
316.56921	0.5
323.09875	2.2
379.12286	1.1
397.13470	83.8
398.13809	6.5
415.14557	31.3
416.15158	2.5
496.09424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.7
61.98826	6.3
69.03455	0.7
71.01376	0.9
71.52232	0.9
81.03449	0.5
83.01383	3.0
88.04050	3.8
88.98795	1.8
93.03442	1.1
95.01409	1.1
95.05004	0.9
96.96004	0.6
97.02950	3.8
99.00848	1.1
101.02503	0.6
102.90209	0.5
108.02155	1.2
109.02940	11.9
111.00899	0.6
113.02441	0.5
115.00387	1.0
116.92859	0.8
119.08614	0.7
121.02929	2.2
121.05818	0.5
121.06569	2.7
122.03751	1.3
123.00876	1.4
123.04527	11.2
124.01633	0.8
125.02445	18.0
126.02733	0.6
132.03032	6.4
133.02934	1.0
135.04591	2.1
136.01570	0.6
137.02440	2.4
137.09709	1.3
138.03238	0.7
139.03993	1.5
145.02946	3.6
146.03679	1.3
149.02443	5.4
149.06099	0.5
150.03188	1.3
151.00369	0.5
151.02867	0.8
151.04002	8.9
158.03679	0.6
159.03113	0.6
159.04510	4.2
159.43767	0.4
161.02412	2.0
161.06052	4.1
161.09720	3.3
162.03197	1.7
163.03932	1.1
163.07594	2.1
163.11256	0.6
166.99869	0.5
169.01418	40.6
170.01726	1.2
173.06136	0.6
174.03169	0.5
175.04002	1.1
175.11269	0.5
176.01207	0.7
177.01906	0.6
177.05484	1.4
177.09163	0.8
183.04570	0.7
185.04289	0.5
185.05980	0.9
187.04002	3.0
188.04710	1.9
189.05539	1.1
189.09117	0.7
191.07100	0.5
193.01395	1.9
199.04005	1.0
201.05507	1.4
201.09181	0.8
202.06284	1.0
203.03407	1.0
203.07133	4.5
204.07779	0.4
205.05049	9.2
205.08675	10.5
206.05405	0.6
206.08960	1.0
207.10278	4.6
209.11726	0.8
211.03999	0.8
217.08676	8.4
219.10271	1.7
225.05591	0.5
229.05016	1.1
229.08713	1.1
229.36958	0.5
230.05573	0.8
231.02893	1.1
240.11528	0.8
241.12367	0.6
245.08191	3.6
246.08838	1.6
247.06128	4.2
247.09747	1.2
259.05869	0.6
259.09766	2.6
260.10422	0.6
265.12247	0.8
268.11176	0.5
269.04477	1.6
275.05750	0.5
282.12314	0.5
283.13406	2.0
289.07159	1.1
297.14685	0.6
301.14417	1.3
303.05099	4.8
310.08575	0.6
324.33063	0.5
325.10898	0.8
325.14429	6.8
326.15018	0.6
333.11227	1.5
351.12357	11.1
352.12579	1.1
369.13388	100.0
370.13684	8.8
411.10825	1.0
521.14484	23.0
522.14856	3.0
654.24402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33155	0.3
59.01367	0.7
61.98828	100.0
64.78716	0.3
71.01373	0.5
71.08825	0.6
88.93804	0.3
89.02466	0.4
109.02950	0.3
117.31485	0.3
119.98534	0.3
123.04556	0.4
125.02445	0.7
143.75101	0.3
146.79671	0.3
153.05595	0.4
171.10323	0.9
185.11835	0.4
201.11441	0.4
209.11835	0.5
251.96956	0.3
289.07208	0.4
392.74869	0.3
613.32623	0.3
651.30853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
60.98920	0.3
61.98829	100.0
62.98542	0.3
71.50128	0.4
98.20512	0.3
104.90263	0.3
168.18762	0.3
226.16129	0.3
255.10191	0.3
286.27985	0.3
517.55725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28359	0.5
59.01379	2.6
61.98827	100.0
69.21793	0.5
70.33715	0.4
71.49673	0.6
77.55930	0.6
79.20208	0.4
81.31210	0.4
143.68887	0.6
238.74670	0.5
260.75455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
61.98809	1.3
69.03450	2.9
71.01399	1.1
78.95906	24.6
80.96512	1.1
83.05024	1.1
95.05058	0.9
96.96001	2.3
100.70334	0.7
102.14806	0.9
110.98534	17.2
152.99594	3.1
163.23863	0.7
166.36337	1.0
167.01169	6.6
167.10747	3.5
177.12785	0.9
179.10771	1.6
179.14409	3.4
182.40425	0.8
184.84814	0.8
185.11885	1.5
195.13892	8.9
196.14313	1.0
205.12347	8.4
223.13397	88.0
224.13695	4.7
227.12888	1.0
231.24564	0.8
237.14890	1.0
255.23311	6.8
256.23541	1.7
274.90405	0.8
277.21719	100.0
278.22079	7.5
373.14053	3.5
391.15186	4.2
418.86954	1.0
427.22595	1.1
445.23581	6.1
446.24094	1.0
619.35748	1.0
651.36951	18.9
652.37170	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	652.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49758	0.3
59.01372	1.0
61.98830	100.0
69.71889	1.6
76.93954	0.3
77.28658	0.3
80.93848	0.3
92.99694	0.3
133.25900	0.3
244.42236	0.4
249.32645	0.4
258.16177	0.3
603.44928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87888	0.4
59.01379	0.7
61.98830	100.0
62.96405	0.6
69.18792	0.3
78.95904	60.3
101.02435	0.5
127.62208	0.5
149.00096	2.9
179.01093	0.7
205.15842	1.5
255.23152	0.8
285.12555	2.5
338.13968	0.4
355.16656	1.0
380.83322	0.4
385.17538	0.8
397.13196	0.6
447.13461	4.0
456.45084	0.5
653.30115	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96401	0.6
67.23565	0.2
78.95902	100.0
96.96959	0.4
98.20637	0.8
126.96835	0.2
149.00082	5.6
150.51772	0.2
152.99583	0.5
166.20398	0.3
167.15154	0.2
171.10242	0.2
179.01210	0.4
205.15953	2.3
229.12646	0.3
255.23248	0.9
285.12564	4.0
286.12915	0.4
355.16736	2.5
385.17874	1.0
447.13428	5.9
447.19687	0.3
448.13333	0.5
489.51807	0.3
653.30078	56.6
654.30389	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	647.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
58.00613	1.0
59.01375	3.9
59.72405	0.3
61.98830	6.8
69.03496	0.3
69.56633	1.9
71.01383	3.8
72.99338	0.4
73.02954	0.8
73.99619	0.3
78.95930	0.5
80.02715	1.0
81.03494	0.9
83.01447	0.5
83.05025	5.0
84.02182	0.7
85.02977	0.9
87.00894	1.0
88.98804	0.4
89.02441	3.3
93.03474	0.4
95.01403	0.4
95.05054	0.6
96.96041	0.4
99.00892	0.3
101.02449	3.9
108.02184	0.3
109.02919	0.4
109.06622	0.7
113.02457	2.1
116.92931	0.4
117.47823	0.3
119.03532	0.9
123.00904	0.4
123.04525	0.5
125.02463	1.8
125.06117	0.6
125.09714	3.8
126.10151	0.3
127.11282	5.7
134.60820	0.3
135.08165	0.5
137.02455	1.3
137.09726	1.1
139.11296	0.8
145.05051	0.5
149.02461	0.4
151.04013	0.5
153.09268	0.4
155.10753	2.2
161.02477	0.4
161.04549	1.8
163.11299	3.4
165.01932	0.5
165.09206	2.1
165.12819	1.9
169.01364	0.3
171.10278	3.9
179.05556	0.6
181.12326	0.8
183.10272	1.2
185.11801	1.8
190.02670	0.3
191.10788	1.0
199.09723	2.2
199.13480	0.5
201.11313	100.0
202.11668	5.1
209.11815	93.2
210.12155	5.4
219.06601	0.3
221.11821	0.7
225.11266	0.5
227.12869	11.0
228.13136	0.8
235.08202	4.8
239.12856	0.8
241.05035	0.7
253.09276	17.8
254.09641	0.7
289.06992	0.6
310.50952	0.3
330.90030	0.3
375.21600	2.0
375.26407	0.6
393.22665	1.4
405.17303	0.5
411.23578	0.9
437.20352	1.8
445.20486	1.1
454.13327	0.3
482.79739	0.3
513.15881	0.5
611.30066	0.7
629.31073	0.5
647.27643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98539	0.2
69.15325	1.5
69.15736	0.4
82.95434	0.3
88.98808	0.3
92.21711	0.2
96.96022	0.3
102.28410	0.2
125.02461	0.4
137.02425	0.3
167.03436	0.3
201.11327	0.3
244.11285	0.2
376.27963	0.4
433.73990	0.2
585.60651	0.2
649.30145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83924	0.2
56.64633	0.2
59.01382	0.4
61.98829	100.0
69.18081	2.0
71.01410	0.4
89.02435	0.3
96.95979	0.4
97.02953	0.2
98.19876	0.5
108.02241	0.3
109.02966	0.4
113.02511	0.2
116.92850	0.9
123.04540	0.2
125.02458	0.9
126.02785	0.3
131.09369	0.2
137.02422	0.4
161.02486	0.3
165.01891	0.2
169.01546	0.3
201.11295	1.1
202.11737	0.5
209.11862	0.8
210.12228	0.4
227.13004	0.5
228.89616	0.2
229.14450	2.6
230.14856	0.9
241.05191	0.4
289.07312	0.5
290.07578	0.2
326.41290	0.2
346.15689	0.2
357.51923	0.2
375.27280	0.4
376.27582	0.2
468.65024	0.2
514.16956	0.4
649.29480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40623	0.6
53.89511	0.8
54.18634	0.7
59.01379	100.0
61.98824	3.7
67.81480	0.7
71.49497	0.9
74.42290	0.8
78.76137	0.7
80.03487	0.7
80.55203	0.8
107.79453	0.7
164.29230	0.8
167.44403	0.7
197.11806	3.2
223.13379	12.8
309.20587	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	650.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01369	0.7
61.98829	100.0
65.76511	0.3
70.52733	0.8
71.01385	0.4
87.92086	0.3
96.81012	0.3
108.02157	0.4
109.02972	0.6
123.04568	0.6
125.02470	0.6
125.09720	0.4
129.13170	0.3
130.94980	0.3
137.02438	0.4
152.01151	0.4
153.05624	0.6
169.01402	0.4
171.10333	0.8
173.07983	0.3
185.11819	0.3
189.12585	0.3
190.82130	0.3
209.11913	0.6
226.83765	0.3
275.31241	0.3
293.20197	0.3
411.30936	0.4
491.70813	0.4
606.32056	0.3
633.31073	0.5
650.30084	0.9
651.30371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01379	4.7
61.98535	0.6
61.98829	7.6
66.66164	0.6
69.03465	1.5
69.99757	2.3
71.01363	3.7
73.02937	1.5
79.66909	0.6
81.03436	0.9
83.01391	3.9
83.05024	1.0
85.02923	1.2
89.02435	1.4
93.03432	1.9
95.01389	1.4
95.05025	1.3
96.96006	1.2
97.02959	4.6
98.20597	0.9
101.02430	2.4
108.02173	1.3
109.02959	8.6
112.08363	0.6
113.02418	1.2
119.35436	0.6
121.02950	5.6
122.03738	8.7
123.04525	5.4
124.01682	3.4
125.02459	8.7
125.09766	0.8
132.03091	0.7
135.04529	1.7
136.01663	1.5
137.02444	35.3
137.09697	0.9
138.03044	1.9
139.03976	2.5
145.02946	2.2
146.03658	1.1
149.02432	3.6
150.03206	1.3
151.03964	2.9
154.02686	2.3
159.04489	2.0
161.02440	1.7
161.06091	4.5
163.00270	0.8
163.04041	1.4
164.01134	6.9
165.01924	56.8
166.02304	2.3
171.10306	2.8
173.06006	0.9
175.04001	1.1
179.03519	6.7
187.03944	3.6
188.04736	1.0
197.11775	1.8
197.91093	0.7
199.09766	6.4
201.05536	2.8
201.11374	1.3
202.06290	1.0
203.07126	7.4
205.05020	5.1
209.11784	10.1
225.11346	1.2
227.12845	2.5
231.02957	1.3
231.90001	0.7
243.06738	0.8
243.10138	0.8
244.07394	2.2
245.08054	1.4
253.09152	1.4
271.06122	2.0
288.06348	4.0
289.07184	7.0
319.12921	1.2
373.25891	10.3
407.07788	1.7
409.25937	1.2
435.18735	1.2
461.20081	0.8
481.24466	1.4
493.24533	7.1
494.24414	0.9
499.18509	0.8
569.23975	1.3
601.30121	3.5
603.97083	0.8
609.29065	1.2
613.22998	1.0
627.30371	1.2
645.29083	100.0
646.29401	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	644.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
81.18170	37.6
81.63446	39.6
96.96030	59.7
98.19876	100.0
100.34263	36.0
106.39774	32.1
111.04488	42.1
127.04012	59.1
132.03096	41.6
155.03474	56.5
166.94725	36.5
250.07172	40.5
460.76797	34.6
644.14288	46.7
645.16028	51.1
657.46552	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
59.01385	4.8
59.74290	0.9
61.98532	1.6
61.98830	19.7
71.01375	4.7
71.51602	1.0
73.02946	1.3
77.03971	1.1
78.95900	2.8
83.01389	4.0
85.02940	1.6
88.98785	1.4
89.02456	1.7
93.03464	2.8
95.01366	1.7
96.96017	1.4
97.02944	3.5
101.02446	2.2
108.02209	2.7
109.02953	9.7
112.98547	1.9
113.02411	1.4
115.04418	1.2
116.92831	1.9
121.02941	5.6
122.03748	9.4
123.00888	1.5
123.04552	6.6
124.01686	4.9
125.02451	7.9
135.04526	1.7
135.08063	1.2
136.01721	1.2
137.02451	39.3
138.03134	2.8
139.03972	3.3
147.04597	1.2
149.02429	3.4
150.03281	1.6
151.03979	5.6
152.01138	2.7
152.99615	1.2
154.02707	2.4
159.04568	1.6
161.02461	2.3
161.06076	3.0
162.03159	1.3
163.03998	2.7
164.01135	7.5
165.01930	71.9
166.02283	2.7
171.10269	2.9
173.06105	1.0
175.04004	2.2
177.01891	1.7
178.02686	1.4
179.03528	9.0
180.04277	7.5
183.35510	1.0
187.04028	2.4
193.05046	1.4
195.06627	8.5
199.09737	2.8
201.05573	2.0
201.11356	3.8
203.07153	5.2
205.05016	5.3
209.11877	6.6
210.05255	1.4
219.68309	1.0
225.07675	6.6
225.11145	1.2
227.12862	2.5
238.77434	1.1
244.07347	3.2
253.09335	1.8
288.06424	2.7
289.07065	3.4
301.07141	1.2
329.23331	1.4
389.15952	4.8
421.23929	1.3
481.24573	1.7
493.24820	2.0
597.23688	5.3
601.30255	3.7
627.31091	1.2
645.29211	100.0
646.29468	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	645.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54557	0.6
57.03434	1.1
59.01377	4.8
61.98825	7.9
67.87198	0.6
69.03425	0.6
70.64470	0.6
70.64809	1.5
71.01392	4.1
72.99303	0.8
73.02931	1.2
82.09132	0.5
82.74133	0.7
83.01374	2.6
83.05032	0.8
85.02943	1.9
89.02433	1.4
90.37576	0.7
93.03439	1.6
95.01363	1.4
95.04996	0.7
96.96002	1.5
97.02951	3.8
101.02428	2.7
108.02177	2.9
109.02944	7.1
113.02413	1.5
121.02937	5.4
122.03745	10.4
123.04534	4.9
124.01658	4.2
125.02459	4.4
135.04506	1.8
136.01630	2.6
137.02448	34.2
138.03107	2.6
139.03978	1.8
145.02931	1.3
149.02419	2.5
151.03976	3.1
153.02039	0.8
154.02733	1.5
159.04463	1.8
160.05179	0.7
161.02496	1.5
161.06059	3.3
162.03233	1.1
163.00372	0.8
163.04057	1.3
163.11345	0.8
164.01155	6.5
165.01927	53.3
166.02327	2.7
169.12378	0.8
171.10292	2.9
171.20883	0.6
173.06049	0.7
175.00099	0.6
175.03894	0.9
179.03525	6.3
185.11784	0.7
187.03958	2.1
188.04645	0.8
189.05386	0.7
197.11880	1.3
198.12164	0.9
199.09756	3.9
199.13405	1.3
201.05511	2.7
201.11230	2.0
202.06210	0.9
203.07132	6.2
205.05006	4.2
207.10176	1.1
209.11797	4.9
210.12099	0.9
225.11124	1.1
227.07164	0.9
227.12907	1.1
243.10390	0.9
244.07454	3.8
245.08162	0.7
247.06053	0.8
253.09131	1.4
288.06329	2.5
289.07132	1.9
373.25894	2.5
421.23227	0.9
435.18958	0.7
439.24896	1.3
481.24323	1.2
493.24377	17.1
494.24561	2.3
601.30127	3.8
616.12939	0.6
627.29669	1.2
645.29065	100.0
646.29431	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.4
59.01382	4.5
61.98832	2.6
69.03444	0.9
69.32216	3.2
71.01379	4.0
71.01720	0.4
73.02958	0.9
78.95953	0.5
80.02687	1.4
80.85989	0.3
81.03477	1.2
81.76044	0.4
83.01409	0.5
83.05015	4.0
84.02177	0.9
85.02961	1.0
87.00909	0.6
89.02444	2.6
95.05027	0.6
96.68512	0.4
96.96049	1.0
99.00815	0.4
101.02432	2.5
108.16270	0.4
113.02406	1.9
119.03522	0.4
125.02467	1.0
125.09747	0.8
127.04017	0.5
127.11340	0.6
135.08113	0.7
145.05066	0.5
150.06866	1.6
151.07268	0.9
153.12856	1.4
159.50407	0.4
161.04596	1.2
163.07678	0.6
163.11278	3.1
164.07910	0.5
165.12874	2.4
169.12325	6.5
171.10234	2.2
179.05605	0.7
179.10710	0.9
180.11147	0.5
181.12349	0.7
185.11874	0.5
191.10796	1.1
195.13899	0.5
197.11818	92.1
198.12173	4.6
199.13388	2.1
201.11314	5.9
202.40663	0.4
205.12303	0.6
207.10338	0.6
209.11812	100.0
210.12141	5.3
211.13283	1.9
212.13628	0.5
223.13393	4.8
224.13806	0.4
225.11305	0.5
227.12874	15.7
227.15085	1.0
228.13226	0.8
235.08223	3.7
235.13347	1.3
253.09271	12.1
254.09700	0.7
293.61118	0.4
362.54889	0.4
371.21875	0.5
384.96133	0.4
389.23178	1.2
407.24509	0.7
433.20844	2.8
445.20734	1.5
463.21216	0.6
479.37271	1.3
480.37595	3.0
481.38107	2.9
607.30487	0.9
625.31744	1.2
643.33350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
56.42614	0.6
57.03437	0.9
58.00604	0.6
59.01379	8.2
61.65079	0.7
61.98539	0.9
61.98831	14.8
62.94909	0.6
65.97841	0.6
68.95667	0.6
69.03448	1.3
71.01375	5.5
71.51956	1.3
73.02933	1.3
77.03982	0.7
81.09368	0.6
81.13884	0.8
83.01383	3.2
85.02966	1.7
88.98819	0.8
89.02444	3.7
93.03458	2.0
95.01403	1.3
95.04989	0.7
96.96011	4.4
97.02938	3.1
99.00848	1.0
101.02425	3.0
108.02167	2.5
108.66064	0.7
109.02942	6.3
113.02445	2.2
117.94749	0.6
119.03459	1.0
121.02942	3.4
122.03732	9.5
123.04558	4.4
124.00796	0.9
124.01652	2.9
125.02433	2.7
135.04486	1.5
136.01628	1.4
137.02440	33.3
138.03154	1.4
139.04037	1.4
145.02966	0.7
145.69652	0.6
146.03770	1.2
149.02402	2.0
150.03247	1.2
151.03996	2.5
154.02699	1.8
159.04492	1.8
161.02444	1.5
161.04825	0.7
161.06100	4.3
162.03217	1.2
163.04021	1.1
163.11314	1.0
164.01149	6.4
165.01924	52.4
166.02341	1.4
169.01347	0.7
169.12355	0.9
170.92722	0.8
171.10255	1.6
175.03998	0.8
179.03491	5.3
187.04005	3.0
188.04800	1.0
191.77446	0.8
197.09990	1.0
197.11824	19.9
198.12206	1.1
199.09749	0.8
201.05533	2.5
202.06369	0.9
203.07117	5.2
205.05101	5.2
206.05475	0.7
207.10220	1.6
209.11807	19.6
210.12189	0.8
225.11267	1.3
227.12860	5.4
235.08122	1.0
237.67236	0.6
243.06691	1.2
244.07321	3.0
245.08052	0.9
247.06099	1.6
253.09309	2.3
288.06339	2.6
289.07236	0.9
399.10999	0.9
408.14517	0.8
409.52170	0.7
419.22275	1.8
479.22693	1.6
481.35083	1.5
491.22900	13.0
492.23087	1.6
599.28510	3.0
625.30243	1.4
643.27539	100.0
644.27881	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03424	1.0
59.01149	0.7
59.01387	7.4
61.98828	14.4
64.84388	0.7
68.17352	0.7
69.03433	0.8
71.01382	5.1
71.52096	0.8
73.02950	0.9
77.03976	0.8
78.95883	0.9
79.95722	0.8
81.03455	0.8
83.01375	2.8
85.02950	2.2
89.02437	3.7
90.59264	0.6
93.03455	1.7
95.01371	1.3
96.96012	22.3
96.96949	0.9
97.02948	3.9
99.00893	0.6
101.02440	3.2
107.05040	0.7
108.02161	2.1
108.74944	0.7
109.02943	6.2
113.02412	1.2
121.02953	4.9
122.03750	10.8
123.00890	1.2
123.04554	5.5
124.01682	4.7
125.02434	3.0
135.04507	2.3
136.01659	1.9
136.05289	2.7
137.02441	34.2
138.03220	0.9
139.04010	1.4
145.02997	0.8
149.02434	1.7
150.03236	1.2
151.04007	2.8
154.02719	2.6
159.04515	2.0
161.02385	1.0
161.04741	0.7
161.06039	3.3
162.03152	1.4
163.03979	1.5
164.01164	6.8
165.01929	54.1
165.09125	0.9
165.90082	0.7
166.02338	1.3
171.10266	1.0
172.27341	0.7
173.05998	1.1
177.05534	1.1
179.03487	7.4
183.13901	6.7
187.03960	2.4
190.02661	0.8
197.11899	1.6
201.05563	3.0
202.06363	1.3
203.07191	5.9
205.05014	5.5
209.08064	0.8
209.11790	2.6
211.54753	0.7
227.12906	1.4
231.02988	1.1
243.09976	0.7
244.07355	2.1
255.16101	0.9
288.06369	2.2
289.07101	1.1
301.16614	3.7
311.16611	1.0
329.17844	1.0
419.22321	2.0
437.23691	0.9
479.22751	1.1
481.22476	4.6
481.35446	6.6
482.22525	1.1
491.22940	7.8
492.23196	1.0
599.28619	3.3
618.38696	0.7
643.27551	100.0
644.27838	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15149	0.4
56.38351	0.3
58.00584	0.5
59.01109	0.6
59.01377	9.3
61.98830	3.5
67.54201	0.4
69.03435	0.5
69.17710	1.7
69.18148	2.0
71.01382	4.9
72.99302	0.6
73.02954	0.4
77.03950	0.6
78.95914	0.5
83.01385	3.8
85.02935	1.6
89.02438	4.4
93.03453	1.6
95.01369	1.6
97.02947	3.7
101.02432	3.2
107.01419	0.4
107.05047	0.7
108.02148	1.7
109.02954	7.6
113.02423	1.8
119.03482	1.3
121.02966	3.9
122.03735	8.6
123.00867	0.6
123.04537	5.2
124.01667	2.7
125.02449	2.5
129.63377	0.4
131.04678	0.4
135.04533	1.7
136.01663	0.9
136.05368	0.4
137.02443	25.0
138.03166	1.1
139.03976	2.0
145.02934	0.8
146.03726	1.5
149.02426	3.6
150.03229	0.9
151.03992	3.5
154.02730	1.2
159.04474	1.7
160.05290	0.7
161.02399	1.2
161.06100	4.3
162.03209	1.6
163.03957	2.0
164.01125	4.1
165.01924	34.5
166.02357	0.8
173.06052	0.5
175.03992	1.7
177.01984	0.5
177.05554	2.5
177.95273	0.4
178.06137	0.5
179.03481	4.0
187.03963	1.4
188.04707	1.1
189.05424	0.4
201.05602	1.4
202.06366	0.9
203.03520	0.8
203.07144	6.1
205.05066	9.5
219.06686	0.4
229.05104	0.5
231.02934	1.2
243.06712	0.6
244.07341	1.1
245.08035	0.9
247.06148	2.2
288.06430	2.0
289.07050	1.1
395.22165	0.6
419.22253	3.8
420.22565	0.6
463.21216	0.5
479.22937	1.9
491.22903	2.6
521.23822	0.5
533.23560	1.0
599.28479	2.0
643.27539	100.0
644.27887	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96926	0.5
57.03460	0.5
57.51390	0.4
59.01107	0.6
59.01378	9.0
59.54252	0.5
61.98833	8.9
64.14624	0.4
69.03465	0.6
69.37396	3.5
71.01373	5.5
72.99307	0.8
73.02925	0.5
73.41351	0.5
77.76906	0.5
78.95885	0.7
83.01376	3.6
85.02937	2.2
89.02432	3.3
93.03456	2.4
95.01370	1.3
95.05011	1.0
96.96011	10.0
97.02945	3.7
98.06590	0.5
99.00847	0.7
101.02443	3.3
108.02156	3.0
109.02959	8.5
111.00851	0.6
113.02447	2.2
113.50349	0.6
119.03478	1.3
121.02967	5.5
122.03738	11.5
123.00885	1.6
123.04543	4.9
124.01680	4.6
124.04884	0.4
125.02447	4.3
135.04530	1.1
136.01631	1.3
137.02440	40.7
138.03113	1.7
139.04033	3.0
145.02934	1.1
146.03700	0.7
148.01741	0.5
149.02463	3.0
150.03227	0.9
151.04021	3.7
152.01117	0.9
152.87541	0.5
154.02715	2.6
159.04515	2.2
161.02412	2.1
161.06094	4.6
162.03169	0.8
163.00420	0.6
163.03943	1.0
163.99887	0.8
164.01160	7.6
164.04633	0.6
165.01926	59.2
166.02267	2.6
167.03491	0.5
169.01443	2.6
173.06047	1.2
174.06815	0.5
175.03976	1.5
177.05510	0.9
179.03499	6.8
187.03993	2.5
188.04745	1.2
189.05475	0.6
190.02682	0.8
201.05562	3.7
202.06250	1.4
203.03581	0.6
203.07132	6.0
204.04312	0.9
205.05064	6.2
206.05388	0.6
215.07191	0.6
219.06630	0.8
231.02919	1.0
244.07382	2.7
245.08237	0.7
247.05998	0.9
262.49420	0.5
273.32806	0.5
288.06311	3.0
289.06985	1.2
305.06567	1.5
339.16013	0.7
395.21902	0.5
419.22302	1.7
463.21237	1.4
479.22699	1.1
481.22318	1.4
491.23007	6.8
492.23062	0.9
513.15649	0.7
514.16663	0.6
552.41968	0.5
599.28992	3.6
643.27557	100.0
644.28009	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23975	0.5
57.03421	0.9
59.01376	9.8
59.54421	0.4
61.98830	9.3
62.32785	0.5
63.37815	0.4
64.33333	0.5
69.03458	0.7
70.83370	0.9
70.83739	1.1
71.01380	4.3
78.05959	0.4
78.95901	0.7
80.02576	0.5
83.01379	4.0
84.48566	0.5
85.02956	1.6
89.02435	2.7
93.03439	1.7
95.01364	1.3
96.95999	1.3
97.02942	2.9
101.02426	3.2
108.02168	2.2
109.02948	7.1
113.02429	2.1
121.02970	4.2
122.03745	9.6
123.00870	0.5
123.04519	4.7
124.01643	3.0
125.02464	2.6
133.02943	0.7
133.06549	0.6
135.04475	1.8
136.01637	1.8
136.05281	1.0
137.02438	34.4
138.03098	1.6
139.03987	1.7
145.02914	1.0
146.03717	1.0
149.02423	2.2
150.03232	0.8
151.03993	4.1
154.02696	2.0
159.04483	2.0
161.02446	1.5
161.04764	0.4
161.06061	3.2
163.03972	1.5
164.01146	6.7
165.01926	53.2
166.02301	2.1
171.10313	0.7
173.06047	0.6
173.51721	0.5
175.03998	1.3
177.01872	2.1
177.05496	0.6
178.02380	0.7
178.10843	0.5
179.03503	4.9
187.04001	2.6
188.04799	0.7
189.05557	0.8
190.02652	0.6
197.11859	3.2
199.71031	0.5
201.05542	2.6
202.06241	1.3
203.03374	0.5
203.07135	5.7
204.69064	0.6
205.05074	5.2
209.11853	4.2
227.12958	0.7
231.02951	0.8
243.06625	0.7
244.07384	3.3
247.06026	0.8
288.06296	3.0
288.18549	0.6
289.07077	1.2
296.46567	0.5
311.16522	1.2
371.24124	0.7
419.22327	2.0
463.20993	1.1
476.12802	1.1
479.22736	1.7
481.35098	2.6
491.22885	13.7
492.23196	1.1
548.18402	1.8
599.28442	3.1
643.27539	100.0
644.27863	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39187	0.3
56.26762	0.3
58.00581	0.4
59.01377	8.6
60.99329	0.4
61.98832	1.6
69.03435	0.9
71.01379	4.8
72.46473	0.3
72.99297	0.4
73.02950	0.3
77.04003	0.3
81.03453	0.4
83.01387	3.4
85.02934	1.3
87.00848	0.4
88.98794	1.3
89.02438	3.4
93.03458	1.6
95.01367	1.3
95.04993	0.4
96.96018	0.5
97.02955	3.9
101.02447	3.2
108.02161	1.7
109.02947	7.2
113.02474	1.7
117.09258	0.3
119.03474	1.0
121.02943	4.6
122.02921	0.5
122.03745	8.1
123.00845	0.4
123.03644	0.3
123.04531	5.7
124.01670	2.3
125.02460	1.8
133.02939	0.4
135.04510	1.7
136.01643	1.1
137.02443	23.4
138.03123	1.3
139.04008	1.6
145.02945	0.5
146.03712	0.9
149.02437	3.0
149.06003	0.6
150.03204	1.2
151.04019	3.1
153.05547	0.4
154.02762	1.4
159.04506	2.1
161.02444	1.5
161.06071	3.8
162.03162	0.5
163.00351	0.6
163.03978	1.1
164.01146	4.3
164.04738	0.4
165.01926	32.9
165.05571	1.0
166.02313	1.2
173.06020	0.6
175.04002	1.2
175.07626	0.6
176.04771	0.6
177.05528	1.8
178.02681	0.6
179.03517	4.0
180.03830	0.4
185.06033	0.5
187.03963	2.0
188.04739	1.0
189.05513	0.4
190.02704	0.4
191.03651	0.3
201.05525	1.0
202.06305	1.0
203.03421	0.3
203.07126	6.2
204.04301	0.9
205.05051	9.3
206.05360	0.7
209.11891	0.4
219.06398	0.4
229.04898	0.5
231.02928	0.8
244.07385	1.5
245.08153	0.4
247.06140	1.6
288.06464	2.0
289.06952	0.6
332.02631	0.3
339.16302	0.3
395.22318	0.5
419.22229	4.0
420.22516	0.5
463.21216	0.8
479.22806	1.1
481.22156	0.6
491.22906	2.0
519.22034	0.6
533.23450	0.5
575.28894	0.4
599.28735	1.7
643.27557	100.0
644.27924	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16360	0.3
55.01865	0.4
57.03451	0.4
58.00578	0.3
59.01377	8.6
61.98807	0.4
66.07980	0.3
69.03439	0.7
69.41118	2.1
71.01381	4.4
72.99302	0.6
73.02978	0.3
75.94035	0.3
83.01386	3.8
85.02935	1.3
87.00858	0.3
89.02440	3.8
93.03461	2.0
95.01358	1.4
95.05048	0.4
96.95994	0.3
97.02949	3.7
101.02445	3.0
108.02153	1.9
109.02231	0.4
109.02953	6.8
111.00895	0.3
113.02435	1.3
117.03394	0.4
119.03487	0.7
121.02947	3.4
122.03742	9.1
123.04539	5.0
124.01655	1.6
125.02424	1.3
135.04515	1.7
136.01653	0.9
137.02441	26.3
138.03308	1.8
139.03999	1.9
143.04936	0.6
145.02946	0.6
146.03708	1.3
148.01736	0.3
149.02438	3.4
149.51059	0.3
150.03203	0.6
151.04015	3.2
154.02708	1.3
159.04491	2.2
161.02432	1.1
161.06068	3.6
162.03130	1.1
163.00438	0.4
163.03981	1.5
164.01154	4.8
164.04747	0.4
165.01923	32.2
165.05550	0.9
166.02330	1.1
173.06020	0.6
175.04030	1.3
175.07600	0.6
177.05524	2.2
179.03468	3.8
185.06013	0.4
187.04016	1.8
188.04858	1.4
201.05518	1.4
202.06284	0.9
203.03482	0.7
203.07143	5.9
204.04182	1.0
204.07440	0.3
204.70219	0.3
205.05052	8.2
206.05458	0.3
230.05742	0.4
230.56599	0.3
231.03030	0.7
243.06555	0.3
243.97945	0.3
244.07329	1.6
245.07988	0.4
247.06145	1.5
288.06393	2.0
289.07159	0.5
299.16193	0.3
339.15857	0.4
395.22156	0.7
419.22159	3.6
420.22952	0.3
463.21429	1.5
479.22598	1.4
481.22055	0.5
491.23007	1.7
533.23895	0.9
599.28613	2.0
643.27557	100.0
644.27875	14.3
644.38733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57335	0.4
55.01871	0.5
59.01380	9.9
61.01122	0.4
61.54238	0.4
61.98826	0.6
67.01864	0.4
68.99809	0.4
69.03445	0.7
71.01379	5.3
71.18011	0.7
77.03971	0.4
83.01382	3.4
85.02966	0.8
87.00866	0.4
89.02440	3.5
92.10027	0.4
93.03463	1.7
95.01389	1.7
97.02951	3.6
99.51850	0.4
101.02442	2.9
108.02176	1.3
109.02958	7.9
113.02433	1.8
119.03477	0.9
121.02928	4.4
122.03748	9.8
123.04544	5.4
124.01665	2.4
125.02431	1.8
135.04558	1.9
136.01643	1.1
137.02444	26.5
138.03159	1.7
139.03995	1.9
145.02972	0.4
146.03693	1.0
148.01605	0.4
149.02441	3.1
150.03226	1.1
151.04015	2.8
154.02718	1.2
159.04575	1.9
160.05269	0.6
161.02457	0.9
161.06061	4.1
162.03183	1.2
163.03990	2.2
164.01158	4.9
165.01926	34.6
165.05573	0.8
166.02354	1.2
173.06041	0.8
175.03943	1.5
177.05531	2.3
178.02586	0.4
178.06145	0.4
179.03506	3.1
187.03966	1.6
188.04790	0.9
191.03539	0.5
201.05585	1.2
202.06264	1.2
203.03525	0.8
203.07104	6.2
204.04231	1.1
204.07431	0.6
205.05054	8.5
231.02914	0.8
244.07375	1.3
245.08186	0.8
247.06032	1.2
281.06616	0.7
288.06360	2.1
319.71277	0.4
395.22284	0.8
419.22272	3.7
479.22977	1.1
491.22931	1.5
521.23956	0.5
533.23578	0.5
599.28333	1.6
600.29901	0.4
643.27557	100.0
644.27893	16.8
673.11249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75576	0.7
53.75839	0.7
57.03449	0.8
57.97634	0.6
59.01382	4.9
61.98829	21.7
71.00533	1.6
71.01379	3.9
72.99325	0.8
73.02930	1.3
74.44453	0.7
78.95902	0.9
80.02644	0.7
81.03447	0.9
83.01405	1.9
85.02943	0.8
88.98831	1.3
89.02463	2.2
93.03457	1.5
94.57229	0.7
95.01418	1.0
96.59634	0.8
96.96012	13.2
97.02937	1.9
98.94254	0.8
101.02435	1.9
109.02938	7.9
111.04553	0.8
113.02443	1.1
121.02985	2.7
122.03738	3.2
123.00882	1.7
123.04526	3.6
124.01672	2.8
125.02431	7.0
135.04494	1.6
136.01669	2.0
136.05310	2.9
137.02440	32.5
139.00377	0.7
139.04039	1.7
149.02480	2.6
150.03229	3.2
151.00406	4.8
151.03978	6.0
152.04771	0.8
154.02777	1.0
159.04468	1.7
161.06071	1.2
162.03212	1.0
163.04013	1.3
164.01167	4.2
165.01926	100.0
165.05508	3.5
165.09152	1.4
166.02718	14.6
166.06483	0.8
167.03479	3.0
171.10202	1.1
173.06059	1.0
175.03989	1.7
177.01918	1.9
177.05533	1.7
179.03503	17.2
180.04274	42.2
181.05055	15.8
186.93556	0.8
187.03967	1.8
192.04292	0.9
193.05000	1.0
194.05846	3.5
195.02928	2.5
195.06610	60.0
196.06940	1.9
197.11780	2.7
201.05505	1.6
202.06342	1.3
203.03476	0.8
203.07132	3.5
205.05060	6.1
207.06424	1.0
209.11765	1.6
210.05327	9.3
219.06644	1.1
220.07414	1.9
221.08017	1.0
225.07664	39.5
226.08067	1.7
227.12608	0.9
243.06758	1.8
244.07307	0.8
255.15953	1.9
280.03647	0.8
287.52011	0.7
288.06488	1.8
289.07242	1.6
292.20544	0.8
359.11310	1.8
373.26016	0.9
387.10251	1.6
387.14734	4.1
402.13226	1.1
403.13965	1.6
416.14783	1.1
417.15527	23.0
418.15768	2.2
419.21893	1.2
463.21030	2.6
481.22437	12.3
481.35419	5.5
482.22226	1.3
491.22543	2.4
565.20154	2.6
580.19519	0.9
595.21765	30.1
596.22205	6.6
643.27399	38.0
644.27814	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	643.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82236	0.3
55.01873	1.8
57.03160	0.3
57.03446	6.3
57.48260	0.3
59.01379	7.7
61.64954	0.3
67.01894	1.8
68.99816	1.8
69.03452	8.0
70.82401	0.8
71.01381	18.2
72.24704	0.3
72.99300	1.5
73.02944	15.2
75.00862	0.4
79.01865	0.3
81.03440	2.4
83.01382	4.6
83.05048	1.0
84.02158	0.4
84.33407	0.3
85.02946	57.6
86.00103	0.4
86.03278	1.1
87.00873	100.0
87.63425	0.4
88.01208	1.5
89.02436	0.5
92.52947	0.3
93.03472	0.4
95.01385	9.2
96.01747	0.5
96.95996	1.4
97.02945	27.1
99.00864	1.6
99.04496	0.9
101.02451	1.8
103.04009	10.6
108.02163	0.4
109.02951	1.7
111.00852	1.8
111.04504	0.4
113.02445	41.4
114.02747	0.7
115.00370	10.8
115.04005	2.1
125.02432	1.0
127.03994	1.5
127.38339	0.3
129.01935	2.2
131.03510	0.9
139.00401	1.8
145.05006	0.5
157.01422	9.8
173.04526	3.5
175.02470	64.6
176.02872	1.7
191.05588	1.1
199.02414	0.4
217.03513	22.5
218.03865	1.1
235.04579	0.7
280.34711	0.4
303.07190	28.2
304.07571	1.3
321.08218	11.6
322.08511	0.6
381.10324	1.5
419.07938	0.4
437.09372	0.6
479.10382	9.1
480.10950	0.6
495.13577	0.5
497.11310	1.6
539.12482	16.2
540.12903	1.1
625.16211	10.8
626.16296	1.5
643.17200	34.5
644.17566	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	643.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
57.03441	6.3
59.01381	9.7
60.09779	0.8
63.78877	0.7
63.97512	0.8
65.15730	0.8
67.01884	1.7
68.99811	1.3
69.03451	6.3
69.48961	6.2
71.01011	1.8
71.01380	18.9
72.99307	1.5
73.02945	16.1
81.03426	2.0
83.01386	5.3
84.02141	1.2
85.02950	64.1
86.03260	1.5
87.00875	100.0
88.01208	1.5
95.01377	8.1
97.02949	27.9
98.19869	0.9
99.00864	1.4
99.04507	1.5
101.02423	1.6
103.04014	11.0
109.02945	2.0
111.00871	2.6
113.02446	50.3
115.00368	12.6
115.03992	2.8
125.02409	0.8
127.04022	1.7
129.01929	2.5
131.03525	1.2
139.00392	2.1
152.86696	0.9
153.57019	0.8
157.01402	10.2
162.66881	0.8
173.04611	4.7
175.02466	82.7
176.02788	1.8
217.03519	25.8
303.07217	33.6
304.07550	1.9
321.08292	12.2
374.75458	1.0
381.10217	1.2
479.10428	11.1
480.10751	1.3
497.11813	2.0
539.12469	20.4
539.20081	1.5
540.12610	2.0
545.39532	1.1
625.16290	13.9
626.16833	1.7
643.17285	43.2
644.17572	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01381	6.3
61.98828	100.0
71.01400	0.2
71.51591	0.2
80.06528	0.2
86.62372	0.2
88.98794	0.5
96.96024	0.6
99.92534	0.3
109.02981	0.3
113.02406	0.2
116.92868	0.7
125.02489	0.5
137.02458	0.5
149.06125	0.3
151.00386	0.4
151.04027	0.4
153.58598	0.2
181.05045	1.0
193.05057	0.4
196.07443	1.5
211.09743	3.5
224.88060	0.2
415.98102	0.2
421.18594	1.1
486.53305	0.2
579.17010	1.1
673.65607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
86.83210	0.4
97.68259	0.4
98.19836	1.0
106.84741	0.4
126.47691	0.4
139.55586	0.5
179.10760	1.2
195.43277	0.4
197.11760	2.5
228.99490	0.5
281.24771	2.8
288.94482	0.4
311.50433	0.5
315.14526	1.1
579.39038	7.1
580.39923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08672	0.4
59.06006	0.4
61.05687	0.5
61.98830	100.0
63.54397	0.5
65.09350	0.4
70.41744	0.5
79.47823	0.4
79.97768	0.4
82.54670	0.5
93.40128	0.5
145.23982	0.4
179.10745	0.6
197.11790	2.4
281.24805	2.4
554.66687	0.5
579.38989	6.7
580.39600	1.3
643.36969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53317	0.4
54.57999	0.3
58.00557	0.4
59.01383	2.0
61.98832	8.6
71.01379	1.9
73.02938	0.8
78.95911	0.8
83.01365	0.5
85.02915	0.6
89.02449	0.9
91.66435	0.4
98.20671	0.9
98.48243	0.4
99.04514	0.9
101.02414	1.3
109.02982	0.4
113.02452	0.5
113.06075	0.7
114.47305	0.4
119.03467	0.5
123.04499	0.4
135.08183	1.1
137.02417	0.9
137.06081	0.5
149.06087	4.8
150.06862	41.9
151.07216	1.8
161.04605	0.6
161.09726	0.9
163.07640	19.8
163.82378	0.4
164.08417	3.0
167.14462	0.4
171.10292	1.1
176.08430	1.6
178.10013	3.1
179.10777	10.9
180.11160	0.4
181.12421	0.4
183.13872	1.3
190.59491	0.4
197.11868	1.4
199.09714	2.0
207.10344	0.9
209.11812	1.8
211.13390	27.4
212.13753	2.1
223.13365	1.5
225.11353	1.3
229.30307	0.4
235.08228	1.0
249.14996	0.5
253.09280	1.8
261.56067	0.5
360.97137	0.5
387.25616	0.5
405.26364	0.7
433.98514	0.4
435.18942	0.4
446.33905	0.8
447.22632	1.1
459.77332	0.4
461.36295	1.1
464.35068	11.9
465.35547	1.7
478.36633	12.5
479.37378	100.0
480.37750	10.8
623.33258	1.7
641.33929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62967	0.3
57.03444	0.4
59.01371	1.7
61.98833	7.3
65.26875	0.3
65.69537	0.3
69.35995	0.8
69.36395	2.3
71.01362	1.9
73.02940	0.6
75.00871	0.4
80.98357	0.3
85.02924	0.9
87.99497	0.3
89.02440	0.6
93.03419	0.4
94.98049	0.4
96.96019	0.6
99.04509	0.9
101.02451	0.9
113.02477	0.6
119.03497	0.6
123.04514	0.5
133.84303	0.3
135.08134	0.7
136.05269	0.5
137.02428	0.8
137.06068	0.5
149.06087	4.5
150.06862	37.4
151.03957	0.5
151.07234	2.0
155.10826	0.3
161.04596	0.3
161.09775	0.8
163.07643	16.6
164.08379	2.8
171.10287	1.0
176.08414	1.3
177.09215	0.5
178.10011	3.1
179.10774	11.3
180.11128	0.7
183.13887	1.9
186.10435	0.4
193.08658	0.4
195.13887	0.4
197.11853	1.3
199.09734	1.5
201.11249	0.6
202.27110	0.4
207.10133	0.6
209.11816	2.0
211.13380	24.4
212.13713	1.5
213.14894	0.6
223.13374	1.6
225.11293	1.4
227.12714	0.4
234.16016	0.4
235.08095	0.8
253.09314	1.6
253.31335	0.4
299.02103	0.4
387.25485	0.6
405.26389	0.6
446.33951	0.6
447.22455	1.2
455.97351	0.3
461.36407	0.7
464.35010	10.7
465.35605	1.0
477.15564	0.5
478.36609	12.3
479.37378	100.0
480.37732	13.7
565.24091	0.5
623.33588	2.2
641.34937	1.5
641.44214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98545	0.3
61.98830	100.0
67.02535	0.4
67.81822	0.4
72.21439	0.4
74.39677	0.4
90.56172	0.4
95.50653	0.4
98.19981	1.6
98.20668	0.9
107.96043	0.4
144.22188	0.4
157.33963	0.4
183.13977	1.0
211.13416	1.4
226.21266	0.4
239.14159	0.4
240.60448	0.4
246.38544	0.4
266.44720	0.4
293.21408	0.5
302.02698	0.4
511.94937	0.4
535.43408	0.4
577.37415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
61.98822	0.3
69.03442	0.2
71.01376	1.5
73.02925	0.2
80.33070	0.2
83.01393	0.2
83.05029	0.2
85.02946	0.4
87.00883	0.4
89.02447	1.0
101.02428	1.4
113.02429	0.8
119.03490	0.4
145.05040	0.2
161.04532	0.7
165.12807	0.3
167.10738	0.2
167.14400	0.5
179.05666	0.3
181.12363	0.4
183.13896	6.3
184.43510	0.2
193.12334	1.6
195.13832	0.2
199.13376	1.7
211.13379	100.0
212.13716	5.2
223.13315	1.3
235.08211	1.7
253.09276	3.9
279.15039	0.2
331.14828	0.2
387.25394	0.5
405.26349	0.6
429.21298	0.7
447.22336	4.6
448.22672	0.6
567.80536	0.2
623.35095	1.0
623.43903	0.2
624.35089	0.2
624.87042	0.2
641.34747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21690	0.2
53.22896	0.2
59.01385	1.3
61.10633	0.2
61.56823	0.2
68.66479	0.2
69.03436	0.3
71.01397	1.1
71.28013	0.3
73.02937	0.4
85.02924	0.4
87.00890	0.4
89.02444	1.1
101.02432	1.1
113.02425	0.6
122.89714	0.2
126.52455	0.2
129.62302	0.3
161.04547	0.6
163.39996	0.2
167.14392	0.7
169.07887	0.2
179.05736	0.2
179.39282	0.2
183.13879	6.2
185.02806	0.2
193.12346	1.8
211.13383	100.0
212.13742	5.1
235.08176	1.5
253.09293	3.9
352.23660	0.3
387.25378	0.3
405.25983	0.4
429.21490	0.7
447.22308	4.1
448.22919	0.5
563.82385	0.2
575.88391	0.2
602.48505	0.2
623.34937	1.0
641.35474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.1
60.74485	1.0
61.98829	100.0
69.48631	5.5
81.03444	1.3
83.01385	3.7
88.43053	1.0
93.03500	1.0
97.02966	3.2
108.02204	1.0
109.02940	12.5
121.02950	2.6
122.03750	1.0
123.04520	8.8
125.02442	94.7
126.02776	3.1
133.02934	2.1
135.04517	1.2
137.02448	21.9
139.04015	2.3
145.02887	1.0
147.04517	1.4
149.02428	4.2
151.04033	7.2
159.04547	1.4
160.05371	1.1
161.02431	22.7
161.06065	3.2
162.03110	1.7
163.00380	1.1
163.03934	2.0
164.01158	3.8
165.01924	2.9
167.03502	1.5
173.64507	0.9
175.04013	5.6
175.07639	1.1
177.01915	3.1
179.03493	3.5
187.04024	7.6
188.04698	1.8
202.06252	1.4
203.07123	7.1
205.01312	1.0
205.05045	7.6
215.03418	1.4
217.05107	0.9
221.25999	0.9
227.07153	1.4
229.05077	2.1
243.57251	0.9
245.04478	3.1
245.08177	11.3
247.06033	1.4
255.02969	3.1
256.03531	2.2
271.06357	1.1
273.04001	5.1
281.04614	2.9
284.03397	0.9
285.03946	2.0
287.05591	11.8
289.07172	55.8
290.07468	3.8
299.05624	6.4
339.08551	2.5
381.09644	1.4
407.07651	35.4
408.08017	5.0
425.08722	40.4
426.08865	5.2
451.10275	15.2
452.10413	2.5
533.13837	1.0
559.12329	2.0
577.13416	22.4
578.13824	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	640.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03898	3.3
57.03447	14.0
61.98820	14.3
70.08147	5.7
70.08498	13.8
81.03458	4.2
88.04032	4.7
109.02959	20.3
121.02960	4.5
123.04504	13.5
125.02447	100.0
131.68213	3.7
137.02451	21.5
149.02438	3.4
151.04034	17.2
161.02463	23.9
161.05971	4.0
162.03282	3.6
163.03952	4.1
165.01884	4.3
175.03964	9.8
177.01892	5.1
177.50969	4.0
187.04004	6.0
203.07109	11.4
203.39171	3.4
204.95773	3.6
205.01620	3.9
205.05083	10.0
221.08186	4.7
239.79828	4.2
245.04573	8.0
245.08145	10.5
255.02960	12.2
256.03741	9.0
281.04477	4.4
285.03943	5.4
287.05576	11.9
289.07184	74.4
299.05649	7.7
339.08755	5.1
407.07632	71.3
407.12616	5.9
408.08011	10.3
423.09097	3.7
425.08743	50.0
426.09003	7.4
451.10342	19.2
577.13257	30.0
620.11060	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	639.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.03437	4.3
58.00590	2.2
59.01379	23.6
61.98818	3.3
65.03954	2.3
69.36221	10.2
69.67080	1.1
71.01383	22.5
72.99293	2.6
73.02943	5.6
75.88460	1.2
81.03463	1.2
83.01392	3.5
83.05029	10.1
85.02939	8.8
85.03381	1.7
85.06580	3.2
87.00868	10.3
89.02441	11.0
90.74265	1.2
91.05552	1.8
95.01374	3.5
97.02952	1.7
97.06582	4.2
99.00840	1.8
101.02441	17.4
107.05061	1.9
109.06609	3.6
111.08150	10.2
113.02448	8.2
119.03481	2.3
119.05021	2.1
123.08167	2.4
125.02431	3.0
125.09720	14.4
129.01981	1.3
129.21675	1.2
133.06580	1.6
135.08202	2.3
137.09749	3.8
145.05023	6.0
151.11264	1.7
161.04550	5.6
161.09685	1.3
163.11284	1.6
168.15082	1.3
171.10268	93.4
172.10573	4.9
179.05638	2.6
185.11794	3.1
187.09674	2.4
187.14915	2.0
197.11792	1.4
205.16032	6.6
207.13788	2.3
209.11806	15.8
211.13390	13.0
215.14394	8.7
221.15451	3.4
231.13930	7.2
233.15448	34.7
234.15781	2.4
235.08234	15.9
240.09622	1.4
247.16989	2.1
249.14967	41.6
250.15363	3.9
251.16548	2.5
253.09235	9.7
291.16068	1.5
313.25427	2.2
331.26624	3.2
341.24680	5.5
349.40848	1.5
357.24594	1.8
359.25919	5.4
367.22696	3.3
375.25284	8.1
385.23865	33.5
386.24213	3.8
403.24893	66.8
404.25217	6.1
407.19046	4.5
421.25928	22.4
422.26602	1.8
467.23413	1.6
477.28619	1.5
485.23892	3.1
495.29572	1.8
513.10345	1.3
603.32208	1.7
611.34302	3.6
621.32782	100.0
622.33063	20.8
639.33844	68.1
640.34332	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	639.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61501	0.6
57.03440	1.6
57.50602	0.7
58.00592	0.7
59.01105	1.2
59.01376	14.5
61.98830	19.0
62.99778	0.7
65.03946	2.3
68.76952	0.7
71.01380	13.7
72.99303	1.9
73.02935	3.8
80.02654	0.7
81.03444	1.3
83.01384	2.0
83.05025	2.9
85.02958	4.8
86.00056	0.7
87.00893	4.2
89.02441	5.7
95.01395	1.6
95.05004	1.1
97.02919	1.4
97.06586	2.9
99.00873	1.2
101.02441	8.7
105.07076	0.7
113.02461	4.6
119.03508	1.6
119.05018	1.7
121.02926	0.9
123.04530	1.3
123.08136	1.7
125.02470	0.9
125.09735	11.1
143.03485	0.9
145.05057	1.9
155.10777	0.7
159.53674	0.7
161.04547	2.2
163.04008	1.4
163.11253	3.1
165.12883	1.0
171.10222	6.2
183.13869	4.2
185.11844	1.7
187.09718	1.4
189.16612	1.1
193.12225	1.7
197.11696	1.4
197.13394	0.8
207.13914	1.5
208.41785	0.7
209.11813	58.4
210.12177	3.7
211.13383	62.6
212.13693	3.2
213.14940	0.9
215.14397	11.7
216.14839	1.4
223.13388	1.3
233.15454	42.6
234.15808	2.3
235.08224	6.7
235.13412	1.3
235.16965	1.0
249.15002	4.2
251.16475	2.0
253.09328	5.4
309.20142	0.7
323.23898	0.9
331.26392	3.1
341.24960	2.8
359.25937	0.8
367.22687	2.7
375.25140	4.7
385.23831	26.1
386.24152	2.5
393.26483	2.1
403.24899	20.1
404.25189	2.2
421.26184	3.7
445.20670	1.4
447.22311	2.0
459.27591	0.9
477.28589	1.6
477.35748	1.1
521.92517	0.8
611.34589	1.0
621.32764	100.0
622.33044	15.7
639.24280	1.2
639.33569	12.9
640.33527	1.5
644.91577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.4
60.01684	0.5
61.98830	100.0
62.72630	0.4
71.49785	0.8
118.44961	0.4
118.84454	0.4
125.02436	1.6
151.04030	1.1
154.64508	0.5
209.11911	0.9
211.13260	0.5
255.23396	1.0
277.64474	0.5
288.97882	0.5
289.07169	1.3
293.21262	0.5
475.62921	0.6
555.53778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98829	100.0
73.54961	0.5
78.89210	0.5
78.95895	2.8
111.89485	0.6
142.21933	0.5
152.99597	1.0
201.75839	0.6
209.11786	0.6
239.10252	0.5
255.23494	0.6
256.23669	0.7
269.01358	0.6
582.10559	0.6
602.77618	0.6
620.37537	0.7
638.37415	0.9
653.15137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98539	0.8
53.39259	0.9
57.03440	3.3
59.01379	62.4
61.98827	17.0
66.93855	0.9
71.00805	1.9
71.01029	0.8
73.02936	3.1
78.95905	2.8
83.05001	1.7
85.02944	3.1
87.00877	3.2
88.98799	1.7
89.02438	6.4
95.05051	1.4
96.96004	1.1
99.00880	14.8
99.04520	1.5
101.02426	2.2
109.02937	1.8
113.02476	6.4
117.90527	0.8
119.03480	1.3
119.05018	0.9
119.08662	3.0
120.93699	0.8
123.04537	1.2
125.02412	4.0
131.03505	2.2
135.08142	2.4
135.11784	0.9
137.02428	2.0
137.09732	12.5
149.04491	4.2
151.03992	1.6
152.99559	0.9
161.04555	2.6
161.09729	5.4
163.07530	1.2
165.05397	1.2
167.03465	1.4
168.00586	1.3
171.00549	0.9
179.10777	8.3
181.08710	19.6
182.09041	1.2
191.05553	3.4
197.11819	27.1
198.12064	1.0
201.05606	1.6
205.08699	1.6
209.11795	5.4
210.12129	2.0
211.13351	1.9
223.09724	8.5
227.07123	1.1
230.09415	2.3
241.10820	17.3
242.11095	1.5
264.94806	1.0
276.03320	1.0
289.07242	1.3
367.21625	1.0
415.16196	7.3
467.16287	0.9
487.10999	1.0
621.25531	3.3
639.26508	100.0
640.26764	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	637.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32684	1.6
50.43960	1.9
57.03453	2.4
59.01376	15.8
60.99288	2.2
61.98532	2.8
61.98831	29.1
65.03964	3.1
66.77492	1.7
69.03451	2.7
71.01382	15.8
71.51987	3.1
72.99298	8.3
72.99660	1.6
73.02945	3.9
78.95903	2.3
80.82079	1.7
81.51582	2.1
83.01392	4.5
83.05031	2.8
85.02929	5.3
87.00872	5.0
88.98819	7.8
89.02449	6.4
95.05022	4.8
97.06593	3.4
101.02440	13.9
109.06592	2.0
111.00884	1.7
113.02436	5.0
115.05511	2.3
115.42817	1.9
121.02863	1.9
125.02449	3.6
125.09727	11.1
137.02432	2.1
145.02937	2.0
145.05002	3.6
161.04591	3.0
163.11313	2.2
171.10324	10.7
183.44853	1.6
185.11801	5.0
187.09712	1.7
187.14899	4.3
202.69812	1.5
203.14270	2.2
209.11829	35.4
213.12773	5.9
229.12407	2.5
231.13910	12.8
233.11815	3.1
235.08203	5.2
247.13301	5.2
249.15022	3.5
253.09323	2.5
309.97858	1.7
339.23264	3.7
355.22690	2.1
357.24399	2.8
373.23822	7.4
383.22171	16.8
384.22635	1.7
391.25052	4.6
401.23328	27.2
419.24292	9.0
445.20795	1.9
609.32684	3.6
619.31183	100.0
620.31500	15.0
637.32257	59.1
638.32513	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.7
61.98829	100.0
70.80994	1.0
79.27290	0.5
88.03487	0.5
90.57072	0.4
150.56593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
59.01384	7.4
60.46703	0.7
61.98822	3.0
68.99821	1.0
71.01385	10.0
72.99307	4.1
73.02939	1.2
75.00874	7.6
79.32323	0.7
82.30486	0.8
83.01423	0.9
85.02958	8.4
86.96832	0.9
87.00879	3.8
88.98816	2.2
89.02446	2.5
95.01380	1.7
96.95997	1.6
97.06580	1.4
98.20665	2.2
99.00877	5.1
101.02440	1.0
103.00330	1.0
113.02448	7.4
115.00384	1.8
119.05067	0.9
121.02945	1.0
125.02433	1.3
128.03542	0.9
137.02438	2.1
157.08629	1.1
165.01952	1.0
175.02432	1.8
179.03482	0.9
215.02145	1.1
249.06117	4.9
293.21210	1.4
295.22729	1.2
325.23837	1.3
333.20270	1.3
339.21774	2.7
351.21747	2.7
357.22855	3.7
358.23331	0.8
369.22794	10.7
387.23846	29.7
388.24158	2.1
461.27576	4.3
547.27728	1.7
619.29944	2.2
637.30798	100.0
638.31116	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	637.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82521	1.7
59.01382	15.9
61.98594	2.0
61.98838	24.0
65.03951	3.6
65.52998	1.7
68.89808	1.7
69.03436	2.5
71.01398	13.8
71.51167	2.9
72.99300	1.9
73.02942	3.3
75.00853	3.2
78.95882	4.0
85.02936	5.3
87.00872	5.2
89.02436	4.3
95.05054	3.0
97.06563	4.2
101.02428	10.6
113.02425	4.5
123.08148	2.1
125.02396	2.4
125.09740	9.3
127.20728	2.5
128.84958	1.8
132.96564	2.2
135.08165	2.4
142.28027	1.9
161.04532	2.4
163.11258	2.5
171.10263	4.0
185.11798	4.0
187.14932	6.1
201.12715	2.2
209.11792	21.0
213.12901	2.6
221.15361	2.3
231.13890	17.7
233.11771	3.7
235.08153	3.8
247.13423	4.0
249.14951	3.8
253.09233	4.4
339.23193	7.1
357.24466	4.7
365.21039	3.2
383.22290	21.3
391.24820	3.0
401.23325	27.8
402.23703	2.6
419.24237	6.8
457.26187	2.4
508.25723	2.3
619.31238	100.0
620.31427	14.8
637.32312	48.1
638.33032	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	635.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
66.50023	0.8
70.46107	0.8
71.01363	1.4
71.23907	0.9
78.95880	1.2
85.43399	0.8
89.02448	3.3
91.76210	0.9
93.46228	0.8
101.02438	1.4
116.81963	1.0
137.70715	0.7
147.18021	0.8
161.58377	0.8
204.22455	0.8
233.50500	1.0
256.91519	0.9
283.83032	0.8
575.86938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	11.3
61.98845	1.3
63.88311	1.2
69.42788	8.4
70.02972	6.9
71.01350	1.3
72.00874	1.7
85.14333	1.2
91.05519	3.9
96.95991	1.2
108.02155	1.8
109.02971	1.6
121.02946	1.4
125.02458	9.2
126.02778	1.6
135.04506	1.4
147.04520	20.5
149.41176	1.3
150.03249	1.7
158.41399	1.3
161.02293	1.4
164.07162	56.4
165.01950	2.9
165.05568	1.9
165.07515	1.6
169.01445	9.5
170.01747	3.5
185.00897	1.9
187.78139	1.2
195.06645	2.7
196.06952	2.4
206.08215	100.0
207.08504	5.3
271.04434	1.6
466.07193	2.2
484.07901	1.4
485.07599	4.1
618.20020	2.1
636.08917	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	635.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69469	0.2
59.01396	0.4
61.98825	0.9
69.60869	0.5
69.61279	0.4
71.01389	0.2
78.95901	9.4
79.95742	3.7
80.91692	0.2
87.67490	0.2
87.97571	0.2
88.98793	0.3
92.48465	0.2
94.30333	0.1
94.98086	0.2
96.96013	100.0
96.96922	12.7
101.02402	0.2
104.56201	0.2
107.09021	0.2
109.02951	0.5
112.98601	0.2
114.82265	0.2
123.00934	0.3
123.04498	0.2
125.02435	0.4
135.00888	0.5
137.02455	0.4
151.03905	0.3
156.55695	0.2
165.01967	0.4
195.06694	0.3
208.97731	0.4
220.31363	0.2
229.75809	0.2
250.98776	0.7
290.94403	0.2
429.10318	1.0
444.78046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
59.01361	6.7
60.99298	3.0
61.98829	19.8
69.21736	14.3
70.91988	1.6
71.01359	5.6
78.18546	1.7
78.95850	1.9
83.01377	2.6
88.98794	10.6
89.02448	2.8
95.01350	2.1
96.95990	4.3
99.00870	2.8
101.02415	2.8
107.01370	3.5
109.02945	1.8
113.02454	2.9
116.92868	8.5
117.03448	3.3
119.04999	1.9
122.03781	1.7
123.00845	4.8
123.04477	1.9
124.01620	2.0
125.02448	25.6
134.02737	2.4
134.03735	42.2
135.04236	1.7
137.02440	8.5
139.00345	3.8
140.11041	1.8
144.28447	1.8
146.04626	2.1
149.06055	4.9
151.00351	4.6
151.03952	2.6
160.01669	9.9
161.02412	2.6
164.01131	1.9
165.01880	4.7
168.00607	4.3
169.01398	18.5
171.10219	5.5
175.03961	4.0
178.02684	5.7
193.05090	18.5
203.07011	2.4
205.04932	2.0
209.11906	2.4
219.02829	2.7
237.03928	4.9
290.49231	2.0
373.25980	3.5
375.27289	2.9
483.18323	3.9
635.19531	100.0
635.36591	3.8
636.20251	15.2
653.08496	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	635.0892
Annotation	Gallotannin
Peak:m/z	Relative Intensity
59.01384	2.0
61.98823	1.4
62.83890	1.0
63.75091	1.0
67.01899	1.2
69.03452	1.5
69.37763	6.9
71.01382	1.2
72.99292	0.9
81.72575	1.0
83.01372	1.4
85.02940	1.6
90.62706	1.0
95.01378	2.6
96.95969	1.3
97.02925	1.9
101.02434	3.2
107.01396	9.1
108.02155	1.8
109.02921	1.9
111.00880	1.6
112.07502	0.9
113.02472	2.0
119.05057	1.1
121.02908	1.1
123.00862	8.7
124.01664	2.1
125.02448	70.6
126.02793	2.6
131.60124	1.1
136.98750	1.2
137.02434	3.9
138.03157	1.1
139.00357	4.4
140.01141	4.0
147.04466	2.1
149.02443	2.7
150.03194	3.7
151.00345	5.7
152.01131	3.5
153.01906	1.9
161.02483	1.3
164.07132	3.7
165.01953	6.6
165.05550	4.4
166.99834	3.2
167.03484	1.3
168.00644	10.3
169.01419	100.0
170.01715	3.0
177.01974	1.2
179.03493	1.4
180.04282	3.3
181.01373	3.5
183.03012	1.7
193.01401	16.7
195.06586	13.3
206.08250	7.2
207.02991	1.9
211.02483	29.5
221.04570	1.4
223.06485	1.1
235.02423	2.3
241.03464	1.9
243.08736	1.4
253.03447	2.7
271.04544	13.0
295.04532	1.7
313.05569	12.7
331.06863	1.3
404.03302	1.3
405.04968	1.8
423.05682	22.7
424.05719	1.2
465.06747	9.3
483.07779	10.3
575.19269	1.3
617.07306	2.3
617.19977	2.9
635.08881	99.0
636.09265	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	634.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60503	0.4
56.80588	0.2
61.98830	100.0
77.60199	0.3
78.95917	3.2
79.40006	0.3
96.96999	0.3
152.99594	1.5
171.10251	2.2
209.08112	0.3
253.21660	0.4
255.23228	1.5
256.23761	0.3
399.14178	1.5
528.05707	0.4
541.17688	0.3
635.35693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0884
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.58360	0.4
59.01376	1.2
65.78937	0.4
67.01885	0.6
68.99783	0.5
69.03459	1.1
71.01378	3.6
71.14362	0.8
72.99323	0.5
76.91114	0.5
79.01890	0.9
83.01386	0.6
85.02940	1.2
91.76935	0.4
95.01385	1.9
96.96014	0.8
97.02946	1.1
101.02438	1.5
104.06840	0.6
107.01380	6.1
109.02934	1.3
111.00845	1.5
113.02460	1.0
119.04982	0.6
121.02876	0.5
123.00093	0.8
123.00893	6.5
123.04498	0.5
124.01683	1.4
125.02443	42.6
126.02753	1.1
127.00340	0.8
136.98735	0.7
137.02446	0.9
138.03163	0.5
139.00363	3.0
140.01137	1.8
141.01970	0.8
149.02441	0.5
150.98434	0.5
151.00371	4.8
151.03981	1.1
152.01065	0.6
153.01936	0.5
165.01909	1.1
166.02745	0.5
166.99847	1.1
167.03444	1.1
168.00644	4.3
169.01414	61.0
170.01732	1.8
177.01924	0.9
179.03450	1.4
193.01395	3.3
195.06642	0.6
201.05560	0.7
211.02399	5.3
223.02382	1.5
233.69589	0.4
237.03767	0.6
241.03389	1.1
243.98676	0.4
253.03439	1.1
271.04636	0.9
289.07333	0.7
295.04657	2.2
297.06119	2.8
313.05634	20.5
314.05994	1.1
327.08429	0.8
330.94003	0.5
383.32782	0.5
423.05444	0.6
447.24722	0.5
465.06705	100.0
466.07065	8.3
470.83319	0.5
483.07788	1.9
524.49530	0.6
635.08801	3.8
635.18396	0.9
636.09271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22930	0.4
50.41598	0.4
57.07547	0.4
59.01380	100.0
60.01710	1.0
61.98827	1.2
63.44294	0.4
74.50191	0.4
78.95905	1.3
85.31673	0.4
94.65851	0.4
95.15561	0.5
152.99564	1.2
194.44405	0.4
195.13889	1.2
213.95213	0.4
223.13409	7.1
224.13838	0.5
274.33435	0.5
293.21213	4.9
357.13666	0.5
397.12949	0.9
415.73846	0.4
506.31714	0.5
573.37787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.30283	0.6
59.01384	5.4
61.98827	29.1
66.88270	0.6
67.01883	0.8
68.99853	0.6
71.00816	1.4
71.01391	4.3
73.02940	1.1
81.03461	0.6
83.01383	1.2
83.79208	0.8
85.02949	1.7
88.04037	0.7
89.02435	1.7
95.01361	1.5
96.96014	2.4
98.19966	0.7
101.02439	2.7
103.31226	0.6
107.01378	4.2
109.02965	2.1
109.06530	0.6
111.00876	2.0
113.02465	1.4
118.95580	0.6
121.02940	1.3
122.03745	0.7
123.00867	10.0
123.04508	2.0
124.01668	1.1
125.02445	22.7
136.98743	0.8
137.02438	3.0
137.32808	0.6
139.00397	4.7
139.04059	0.8
140.01152	2.1
141.01927	1.0
143.04585	0.8
149.02388	1.3
151.00360	10.7
151.03944	3.3
153.01947	1.1
161.02412	2.0
161.04668	0.7
163.04033	1.0
164.01271	0.7
165.01930	0.8
168.00642	1.9
168.44695	0.6
169.01425	22.0
170.01787	0.8
171.10289	6.5
177.01953	0.8
179.03484	0.8
185.11882	0.9
189.01953	0.8
197.11853	0.7
201.11343	1.3
207.10327	1.0
209.11856	1.2
211.02467	2.4
225.11317	1.6
231.51546	0.6
245.08170	0.9
271.04559	3.6
285.04147	1.2
289.07208	3.1
306.07599	0.7
313.05673	2.7
396.27975	0.6
569.26001	100.0
570.26190	14.1
607.03760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20281	0.5
57.03448	1.1
57.71885	0.5
59.01369	3.3
61.98829	100.0
65.00317	5.1
71.01394	1.6
71.52522	1.0
81.03475	0.6
83.01395	2.8
85.02995	1.1
89.02445	0.7
93.03487	0.8
95.01373	0.9
96.96038	1.2
101.02431	1.0
107.01395	7.2
109.02986	1.1
111.00905	0.6
113.02469	0.7
119.05047	0.6
119.68168	0.5
121.02971	1.2
123.00910	2.6
123.04546	3.1
124.01702	0.6
125.02455	13.2
135.04562	1.9
137.02444	2.6
139.00398	0.7
145.03035	0.8
149.02469	0.6
150.03235	1.7
151.00372	27.4
151.04002	5.3
152.01175	2.9
153.01936	0.9
161.02480	1.0
161.04616	0.5
165.01929	1.0
167.03514	0.7
169.01416	5.2
171.10269	3.2
175.03987	1.8
177.01952	1.5
178.99898	3.9
179.03490	0.6
185.11827	0.7
193.05070	0.6
199.04106	1.0
201.11407	1.3
209.11861	1.1
217.05049	0.8
225.07608	0.6
225.11331	1.2
241.05139	1.3
245.08302	0.6
257.04633	0.7
269.04379	0.6
270.02493	0.6
285.04041	16.8
285.07104	1.1
286.04453	1.2
289.07230	1.8
302.04388	1.0
303.05078	3.5
373.25970	1.5
382.28867	0.5
417.12057	1.0
569.13214	13.2
569.26282	21.2
570.13483	1.3
570.26654	2.2
632.34045	0.8
633.35193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18223	0.6
57.03448	1.9
58.81208	0.6
59.01382	7.2
61.98829	100.0
65.00333	2.5
68.25829	0.6
70.48645	0.7
71.01376	3.7
73.02942	0.7
75.34867	0.7
78.95924	0.6
83.01396	2.3
85.02951	1.4
88.98824	1.3
88.99445	0.6
89.02440	1.3
93.03470	1.1
95.01382	1.4
95.05043	1.0
96.96028	1.5
97.02995	0.9
97.77899	0.8
99.00919	0.7
101.02454	2.4
107.01398	6.3
109.02985	2.2
111.00896	1.3
113.02472	1.6
119.03529	0.8
119.05083	0.6
123.00880	9.7
123.04520	2.3
124.01740	1.5
125.01530	1.4
125.02446	22.3
125.09698	0.7
126.02793	1.3
133.02979	0.9
135.04512	0.9
136.98732	0.7
137.02457	3.0
139.00430	3.4
139.03937	1.1
140.01193	1.9
141.01950	1.5
148.79504	0.7
150.03250	1.5
151.00362	21.6
151.04033	5.8
152.01025	0.8
153.01944	0.7
161.02484	1.2
163.04076	1.1
165.01920	1.0
167.03525	0.9
168.00656	3.0
169.01433	15.5
171.10217	4.1
175.03996	0.8
177.01903	1.8
178.99818	3.4
179.03500	1.3
185.11914	1.1
199.04004	0.9
201.11328	1.3
205.05264	0.9
209.11829	1.2
211.02516	1.7
225.11484	1.0
253.09378	0.9
271.04510	3.9
285.03983	10.5
285.06668	0.8
286.04486	1.2
289.07193	2.8
303.05136	2.9
308.48154	0.7
313.05597	1.0
354.62369	0.8
569.13452	8.1
569.26031	87.5
570.13129	1.7
570.26294	14.1
605.77606	0.7
632.33905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09819	0.6
57.03440	0.7
59.01379	1.2
66.45209	0.5
69.03465	2.5
69.83232	2.5
71.05022	0.8
78.95904	17.1
85.06596	0.7
94.51720	0.5
95.05038	0.7
98.95040	0.6
110.98535	13.1
116.26962	0.6
129.49274	0.5
149.09772	0.8
167.01158	4.9
167.10759	3.5
177.12843	1.0
179.10745	1.5
179.14409	3.5
195.13918	11.8
196.14270	0.8
205.12338	11.2
223.13393	100.0
224.13708	6.3
255.23291	78.5
256.23633	5.7
273.19620	0.6
298.08963	0.6
373.14319	1.5
391.15305	1.9
405.24066	1.3
423.25247	10.3
629.38232	19.1
629.48175	1.2
630.38477	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	631.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07034	4.6
53.66222	4.0
61.98827	5.8
70.72141	9.0
70.72499	6.2
73.55721	4.9
78.95911	34.6
90.26666	4.0
94.18085	3.7
100.92462	4.2
110.98522	23.1
138.86296	5.1
150.85947	4.1
151.46259	4.5
152.99512	7.7
156.82054	4.0
163.11351	8.0
165.12813	18.0
167.01118	10.5
181.12337	19.2
182.41541	4.8
183.13907	23.4
201.14969	16.4
207.10249	38.8
209.11865	5.6
225.11317	100.0
226.11664	6.2
227.12901	11.9
255.23311	82.5
257.13333	4.6
278.01773	5.5
279.23419	9.7
354.23889	4.5
381.71774	4.4
395.14633	50.6
423.25070	10.5
625.10645	4.8
631.35815	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25235	0.5
57.03446	0.8
59.01389	1.8
62.96421	0.6
69.03462	2.5
70.18121	0.7
76.48814	0.5
78.95903	15.1
83.05029	0.7
85.06545	0.6
98.20768	0.9
109.06554	0.6
110.97746	0.7
110.98529	13.4
135.40302	0.5
141.09148	0.7
143.27560	0.5
145.38828	0.6
149.09743	0.7
152.99638	0.7
158.53485	0.6
167.01151	5.8
167.10785	3.3
174.91782	0.6
177.12831	1.4
179.10779	1.2
179.14424	4.3
195.13899	10.3
196.14182	0.6
199.41568	0.5
205.12318	8.2
211.13419	0.6
223.13385	100.0
224.13737	5.4
248.95717	0.7
255.23296	70.4
256.23602	5.3
373.14117	1.5
374.14401	0.6
391.15176	1.7
405.24008	1.3
419.69504	0.6
423.25244	8.0
459.95795	0.7
592.65625	0.7
629.27820	1.1
629.38239	20.1
630.38416	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	628.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98527	0.2
69.33313	1.2
80.96541	0.2
84.24253	0.1
91.01924	0.3
123.04478	0.8
125.02489	0.2
150.03259	0.2
165.05588	0.2
167.03493	2.5
183.75290	0.1
222.37790	0.1
419.16895	0.1
453.13101	0.2
481.27588	0.2
565.20294	0.2
629.22046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.99310	2.4
61.98549	1.0
61.98825	7.2
67.24780	0.9
69.58163	4.0
69.58583	1.8
85.02962	1.1
88.98801	10.1
89.02467	1.7
89.16340	0.9
93.03511	1.3
95.05024	0.9
96.96013	2.4
108.02184	0.8
119.05038	1.3
121.02943	3.2
122.03751	4.2
123.04523	1.5
125.02441	3.2
133.02864	0.9
137.02446	1.1
149.02432	37.9
150.03220	38.3
151.03807	1.4
152.01129	1.3
160.04060	1.0
163.04089	1.3
164.04788	15.1
165.05566	57.3
166.05927	2.3
169.01407	2.1
180.04277	3.6
181.05013	3.7
193.08696	2.7
195.06612	54.7
196.07384	5.3
197.08055	2.0
211.09785	5.2
217.67924	1.0
287.50809	1.0
301.03604	1.2
313.10974	1.3
344.12628	12.7
345.12915	1.0
359.14987	85.4
360.15213	6.4
389.16110	2.0
407.17099	55.9
408.17642	5.4
465.06842	2.6
472.37534	0.9
478.61703	1.1
593.14832	3.0
594.15668	1.1
629.17853	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	58.6
61.98829	3.7
69.18350	4.2
69.18776	2.6
71.01370	1.7
82.14031	0.8
85.74775	0.7
88.98817	1.9
90.61501	0.7
90.86901	0.7
93.03468	2.5
96.95974	1.3
98.20679	1.1
119.04981	1.0
120.68981	0.7
121.02971	1.9
122.03764	4.1
122.04550	0.8
123.04512	0.9
125.02426	3.0
135.04468	0.7
137.02444	3.5
140.01147	0.7
143.53076	0.8
146.70741	0.6
149.02420	9.1
150.03223	48.8
151.03596	1.7
164.04784	3.0
165.05563	71.9
166.05873	3.1
168.00716	0.8
169.01433	1.7
180.04280	5.0
181.05045	1.3
195.06618	100.0
196.07104	4.8
211.09810	2.0
220.89378	0.8
307.20758	0.8
344.12744	0.8
359.15060	4.7
407.17044	25.2
408.17310	3.0
465.06754	2.1
467.13657	1.6
488.17200	0.8
555.45795	0.7
629.11078	1.0
629.22552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69393	1.0
59.01379	1.8
59.11387	1.1
59.31828	1.1
61.98841	1.9
69.03441	1.9
71.50243	2.3
78.95905	21.6
84.43828	1.3
98.91552	1.1
100.83511	1.2
104.28418	1.4
104.97514	1.7
108.54643	1.1
110.98524	17.0
114.03925	1.2
167.01138	12.5
167.10768	2.6
179.10854	1.8
179.14407	4.8
185.02197	5.2
188.34120	1.2
195.13870	12.4
205.12282	9.8
223.13376	75.7
224.13657	4.3
253.21730	21.8
254.21902	1.5
255.23186	2.9
343.00937	1.4
391.15240	100.0
392.15515	7.0
419.48514	1.2
423.25070	1.6
575.74048	1.3
579.16479	1.4
627.36469	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	625.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01362	2.8
61.18959	1.1
61.98532	1.7
61.98825	21.3
69.22371	4.1
69.22797	3.9
71.01371	1.7
73.02943	0.9
78.63295	0.8
78.91885	1.7
78.95875	2.1
83.01391	1.3
87.04514	1.1
88.98797	1.1
92.51920	1.0
97.02946	1.3
108.02182	1.7
109.02967	3.8
113.02475	1.5
116.92825	1.7
123.04525	2.9
125.02444	9.6
133.02872	1.0
137.02457	3.2
149.02449	1.2
151.00330	2.1
151.03976	2.9
155.77875	1.0
160.01949	1.0
163.03995	1.1
165.12843	6.1
167.03384	0.9
171.10127	1.0
175.03960	1.5
177.05644	0.9
181.12335	1.3
183.13887	100.0
184.14204	5.6
185.11722	1.2
197.11829	1.5
203.07239	0.9
203.10367	1.6
209.11792	4.9
217.08514	0.9
219.09923	1.2
223.13112	11.6
227.12903	5.1
228.32784	1.1
233.08046	1.9
235.09479	3.0
237.10979	7.6
249.11067	53.0
250.11371	2.0
267.12088	8.9
269.04562	9.4
289.07123	3.7
293.12350	1.2
301.16525	58.8
302.16898	3.1
323.14651	5.0
371.24347	4.5
401.95847	1.0
405.38245	1.0
467.20706	0.9
478.21103	1.0
533.26007	1.7
563.17413	1.7
625.15771	1.9
625.25256	2.2
625.32690	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	627.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58393	0.4
57.94329	0.4
59.01390	0.4
60.99306	16.0
61.98823	0.9
68.59789	0.4
81.79661	0.4
88.98805	100.0
89.02430	0.5
89.99152	1.0
108.02171	0.5
109.02980	1.1
134.82515	0.4
135.00922	0.9
143.46558	0.5
179.99010	0.4
183.67294	0.5
229.72878	0.5
260.32642	0.4
280.28888	0.5
302.99078	0.4
429.10437	2.1
430.10892	0.9
435.02554	0.5
540.45215	0.5
634.35010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
64.23150	0.4
73.02936	0.9
76.88196	0.5
97.02238	0.4
98.19834	0.7
127.77120	0.5
147.34856	0.4
173.65918	0.5
195.67622	0.5
374.45380	0.6
437.12512	1.2
438.12894	1.0
450.13043	0.6
451.14172	1.4
452.14899	3.9
465.16025	0.8
480.14035	0.9
481.14981	8.3
482.15652	1.8
484.13507	1.1
493.15466	1.1
494.16220	1.2
495.16724	17.4
496.16971	2.5
507.16776	1.0
508.17596	1.6
509.18048	1.7
510.18173	0.7
512.13464	1.3
521.14545	1.0
523.19897	0.7
525.13800	0.6
526.14667	1.2
533.17297	0.7
535.16260	2.2
536.16870	3.2
537.17279	0.6
538.87201	0.5
540.16852	3.1
541.16479	0.8
551.19348	43.7
551.97528	0.5
552.19641	8.7
554.18433	1.2
555.19031	1.3
572.15753	2.6
586.16833	1.8
595.18262	9.7
596.18610	1.7
627.20929	100.0
628.21210	23.8
649.36627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03433	1.0
58.00591	0.7
59.01378	21.8
69.03439	0.7
69.51993	2.6
71.01377	16.0
72.99284	0.6
73.02939	2.7
73.73234	0.4
78.71555	0.4
81.03435	0.5
83.01376	1.7
85.02952	3.4
87.00883	2.4
88.98805	0.8
89.02441	14.1
95.01376	0.8
97.02926	2.3
97.17834	0.4
99.00880	1.1
101.02437	11.0
109.02966	0.5
111.08171	1.1
113.02435	5.3
119.03491	2.7
122.54353	0.5
125.02415	3.4
143.03516	1.3
152.77936	0.5
161.04544	1.7
165.12831	10.5
179.05568	1.6
183.13890	70.5
184.14256	3.5
209.11897	1.1
221.06621	1.4
223.61862	0.5
227.12869	8.9
235.08179	2.0
253.09151	0.5
279.70978	0.5
397.13492	6.8
398.13718	0.8
415.14447	4.1
607.26025	0.9
625.27087	100.0
626.27411	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	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.35975	0.4
57.03433	1.4
58.00584	1.1
58.75011	0.4
59.01379	18.9
61.98825	9.2
64.27034	0.4
69.03458	0.7
69.53815	2.9
71.01379	15.0
72.99306	1.4
73.02953	2.8
81.03451	0.6
83.01389	1.8
85.02962	3.2
87.00881	2.4
88.98820	0.8
89.02443	11.7
93.03471	0.4
95.01391	0.7
97.02955	1.6
99.00864	1.1
101.02439	9.5
107.86648	0.4
109.02952	0.5
111.08157	1.1
113.02435	4.6
119.03508	2.7
121.02976	0.6
124.25475	0.4
125.02440	4.7
131.03444	0.6
139.04080	0.5
143.03508	1.3
149.04559	0.4
150.03230	0.7
161.04559	1.6
165.05577	0.6
165.12843	8.6
165.14149	0.7
166.13167	0.5
169.01532	0.5
178.66513	0.4
179.05617	1.3
182.26910	0.4
183.13893	76.9
184.14246	3.3
209.11778	1.2
221.06612	1.1
227.12874	11.1
228.13293	0.5
235.08255	1.7
265.97977	0.5
305.33649	0.4
397.13510	6.0
415.14508	4.7
507.65198	0.4
607.26196	1.1
625.27100	100.0
626.27423	12.7
647.37024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58100	0.7
55.11931	0.7
57.03427	0.8
59.01363	3.1
61.98830	21.0
67.25056	0.7
69.03413	0.7
71.01368	1.8
73.02924	0.8
78.95901	55.4
79.95721	1.0
83.04995	1.4
85.02953	1.3
93.71840	0.7
95.05023	0.8
96.95994	2.2
96.96960	11.3
97.02943	0.9
101.02411	1.0
101.23796	0.7
102.77397	0.7
109.03004	0.8
111.08162	7.5
111.39293	0.8
113.02364	0.7
121.02934	1.3
123.04508	1.0
123.54172	0.8
125.02428	3.3
125.09732	1.1
131.55325	0.7
137.02431	2.0
137.60326	0.8
145.02898	1.0
150.03122	1.2
151.03958	1.2
152.99583	60.3
153.12822	1.3
154.67659	0.7
161.04529	0.8
165.01913	0.7
165.12761	1.3
169.12323	4.7
171.00635	2.1
171.10236	1.6
181.12315	1.1
185.11769	1.0
193.12376	0.9
197.11821	42.5
198.12178	1.4
198.91499	0.7
199.13335	0.9
209.11816	9.7
211.13432	5.6
221.11566	0.8
223.00159	6.2
227.12894	1.1
235.13451	0.7
241.01184	21.5
242.01350	0.9
253.09116	1.5
253.90076	0.8
255.15979	1.1
259.02176	1.7
263.20157	1.3
267.64282	0.8
291.19638	6.7
309.20731	14.2
310.20956	1.7
315.04849	7.2
333.05750	1.5
389.23209	1.6
406.13998	0.7
407.24350	0.8
429.08148	0.7
445.19574	0.9
463.20908	0.9
498.93658	0.7
503.52383	0.7
534.26154	0.7
536.60852	0.8
553.31982	0.7
607.30688	1.6
625.26172	100.0
626.26520	12.4
645.66644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01365	2.4
61.98830	20.7
69.03438	0.8
71.01367	2.8
73.02919	0.8
77.62529	0.7
77.85006	0.7
78.95904	57.4
83.05009	1.1
89.02452	1.2
93.03465	1.1
96.96956	11.4
97.02941	2.2
98.19913	2.2
101.02420	2.2
107.01359	0.8
111.08130	5.1
113.02398	1.0
123.04548	1.1
125.02458	2.8
125.09710	1.2
137.02458	1.1
137.09801	1.0
149.02502	0.9
152.46753	0.9
152.99588	59.9
161.02341	1.0
163.11186	1.4
165.12827	1.7
165.51677	0.7
169.12305	3.4
171.00621	1.6
171.10219	2.6
181.12256	0.8
183.13950	0.8
193.12163	1.2
197.11832	29.4
198.12177	1.6
199.13400	1.4
209.11856	10.9
211.13400	4.8
223.00139	6.2
227.12947	1.8
235.13376	1.4
241.01161	21.1
247.20587	1.3
253.09267	1.1
259.02136	2.0
263.20285	0.8
289.07172	0.9
291.19638	7.6
309.20734	18.1
310.21085	1.0
315.04886	9.1
333.06012	1.3
335.02423	0.8
383.13663	0.7
435.40463	0.8
461.29459	1.2
514.83679	0.9
625.26215	100.0
626.26685	11.8
626.36011	1.4
652.48676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04915	0.6
54.10235	0.6
55.87902	0.5
57.03440	1.0
59.01380	1.9
60.99304	16.2
61.98830	25.4
65.00336	0.5
69.17671	2.2
69.18096	4.5
71.01372	0.9
73.27158	0.5
78.48997	0.6
81.77564	0.6
83.01389	0.8
88.98805	100.0
89.02439	2.7
89.99130	1.1
93.03456	3.0
98.20637	1.6
108.02144	1.1
109.02950	2.2
113.02373	0.9
121.02932	0.8
122.57974	0.6
123.04506	3.3
125.02457	6.3
126.02815	0.9
137.02437	3.8
145.02959	0.8
149.02524	0.9
150.03212	0.9
151.00302	1.3
151.04007	2.3
153.05627	1.1
161.02461	1.1
164.01041	0.6
177.05597	0.6
201.05516	0.8
205.05086	0.7
209.11845	1.5
225.11282	1.1
231.03317	0.8
245.08228	0.8
289.07309	3.6
290.07385	1.2
431.11884	1.8
535.18109	0.9
625.26892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01365	1.6
60.99305	15.5
61.98829	29.0
69.08886	0.4
69.83067	2.0
71.01380	1.0
75.00861	0.6
78.95892	0.5
80.96538	0.7
83.01358	0.7
85.00225	0.4
85.02969	0.5
88.98803	100.0
89.02429	0.7
89.99157	0.7
93.03454	0.7
96.96033	0.6
109.02982	0.9
115.04611	0.5
117.89037	0.5
121.02917	0.7
123.04532	1.8
125.02449	8.1
127.03986	0.4
135.58395	0.5
137.02457	3.0
150.03252	0.9
151.00330	1.2
151.04004	3.0
152.01086	0.8
153.01958	0.5
153.05597	1.3
161.02423	1.4
164.01234	0.5
165.01913	0.9
179.03477	0.7
203.07130	0.8
209.11699	0.9
219.06630	1.0
223.09756	0.6
231.02844	0.5
245.08276	0.7
255.02911	0.5
269.04520	4.4
287.05502	0.6
289.07224	2.6
290.07483	0.7
470.44894	0.6
625.15704	0.9
625.26343	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	624.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32105	1.0
59.01380	3.6
61.98831	100.0
64.52955	1.0
65.00322	2.4
67.53245	0.9
69.10513	1.0
70.52608	1.0
70.52961	2.9
71.01357	1.9
78.91892	1.0
78.95915	1.9
96.96989	1.0
97.02928	1.1
101.02419	1.0
104.02712	1.2
106.31592	1.1
109.02947	1.3
113.02457	1.1
121.06599	2.8
123.04500	6.6
125.02451	2.6
132.35156	1.0
135.04524	2.8
137.02466	1.5
145.06586	2.6
149.02458	2.4
150.03218	7.1
151.00400	2.2
151.04016	12.2
152.99631	1.2
161.09743	1.2
163.07671	3.1
165.01907	1.5
171.10246	1.7
176.01073	1.3
177.01927	3.9
179.03482	1.5
187.07594	3.4
197.11743	5.7
201.01917	1.1
205.01405	1.7
205.08691	5.1
207.10329	1.1
208.10469	1.1
209.11833	7.0
215.03398	1.1
217.05034	1.3
219.10284	1.8
231.06612	21.9
232.07201	2.2
233.08165	1.8
235.13441	1.0
249.07643	6.0
259.06055	2.0
263.05405	1.1
263.06702	1.1
263.09241	10.1
291.08691	1.9
297.09821	1.5
309.03952	1.4
365.10315	17.5
366.10693	1.5
383.11285	8.9
397.08820	2.5
397.13599	5.3
415.13885	3.3
529.17157	11.5
530.16852	1.7
561.20105	13.4
562.20251	2.1
624.26178	3.5
624.34796	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	624.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98829	100.0
65.00327	1.1
71.01385	0.5
71.05919	0.9
78.95916	1.4
88.81296	0.5
89.02464	0.4
92.42966	0.4
96.96973	0.5
114.14561	0.4
117.79114	0.4
121.06619	0.5
123.04550	1.2
125.02426	0.7
135.04532	2.3
137.02460	0.4
145.06577	1.0
150.03247	1.3
151.04005	2.9
152.99620	0.9
161.09610	0.4
163.07669	1.3
175.03979	1.2
177.01984	1.2
187.07675	1.4
189.05676	0.5
197.11810	1.2
203.03526	1.3
205.08708	2.0
209.11882	1.3
217.05098	1.0
224.88652	0.5
231.06598	8.3
232.07356	2.7
233.08015	0.6
238.00925	0.5
259.06116	1.6
260.06876	0.8
294.21375	0.5
297.09579	0.7
309.04062	0.8
355.11597	0.5
365.05737	0.7
365.10266	12.1
366.10797	1.2
383.11496	5.8
397.13065	0.6
398.12677	0.4
529.17139	16.3
530.17883	1.6
539.19305	0.5
561.19788	0.6
624.26373	0.7
625.27338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03440	2.1
58.00598	0.8
59.01109	1.2
59.01381	18.7
61.98814	1.2
62.89998	0.7
69.03451	2.0
70.64384	1.7
71.01383	20.2
72.99301	1.6
73.02938	4.3
73.12291	0.9
76.78429	0.7
78.72393	0.9
81.03445	0.8
83.01391	3.0
83.05022	3.1
85.02947	6.1
86.00097	1.7
87.00870	8.3
89.02451	10.6
90.75665	0.8
95.01405	1.9
95.05049	1.0
97.02921	1.6
97.06596	1.4
99.00899	1.6
101.02448	13.6
101.18578	0.7
109.06604	3.3
111.08138	3.1
113.02454	9.9
119.03492	2.2
125.02411	2.7
133.05046	0.9
135.08147	1.7
137.09708	2.9
143.03493	1.7
145.05089	6.4
147.94519	0.7
161.04570	5.1
163.11374	0.8
179.05582	2.3
195.13895	1.4
203.14484	1.2
211.13373	1.6
213.14873	1.6
231.17418	1.7
235.08208	14.1
235.16858	0.8
236.08609	0.8
237.14897	1.9
239.16472	3.4
249.14804	1.4
253.18016	0.7
257.69327	0.7
265.18143	1.5
267.19678	1.4
275.16470	2.3
277.18207	1.5
313.25613	0.8
315.26907	3.2
325.25385	5.6
333.28049	0.9
341.24747	4.4
343.22601	1.2
343.26367	6.6
351.23434	3.9
359.25851	11.4
361.27664	1.3
369.24316	14.4
370.24484	1.0
377.26904	1.6
387.25400	58.2
388.25702	5.9
405.26425	42.6
406.26877	4.7
479.30029	3.7
593.11292	0.8
595.34778	2.8
605.33429	2.3
623.34338	100.0
624.34802	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	624.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69797	0.3
59.01376	0.7
61.98829	100.0
62.77539	0.4
65.00330	0.5
70.26461	0.4
71.01376	0.4
71.90134	0.4
83.62102	0.4
94.74791	0.4
98.19767	0.7
123.04539	1.0
135.04512	0.9
143.27548	0.4
145.06584	1.3
149.02467	0.5
150.03256	1.9
151.04005	3.1
163.07666	1.1
175.03999	1.0
177.01949	1.4
187.07668	1.6
203.03510	0.6
205.08711	2.3
217.05113	1.0
231.06627	5.7
232.07355	2.6
233.08339	0.4
259.06204	0.9
260.06891	0.5
279.65021	0.4
309.04099	0.5
310.05249	0.6
355.11765	0.7
365.10217	11.5
365.14459	0.8
366.10788	0.9
383.11417	5.4
384.11746	0.6
397.12939	0.9
529.17126	13.7
530.17883	1.6
561.20343	0.9
629.08228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03448	3.2
57.41451	0.5
58.00568	1.3
59.01379	21.0
61.98812	0.7
65.80855	0.5
69.03448	1.5
71.01383	25.7
71.05025	0.8
72.99302	1.9
73.02955	6.7
74.79438	0.5
81.03462	1.7
83.01381	3.1
83.05035	2.7
85.02948	6.3
86.00097	1.0
87.00874	9.5
89.02446	9.7
91.03991	1.0
95.01373	1.7
95.05006	1.6
97.02951	2.5
97.06586	2.0
99.00872	1.1
99.04515	0.6
101.01791	1.0
101.02448	16.6
103.03997	0.9
107.04990	1.1
109.02921	0.6
109.06606	2.8
111.00833	0.6
111.04504	0.9
111.08145	3.0
113.02444	9.7
119.03493	2.8
125.02441	2.7
131.03499	0.7
133.05046	1.1
133.06612	0.8
135.08183	3.0
137.09750	2.7
139.11343	0.9
143.03461	1.3
145.05080	6.2
161.04549	4.4
161.09740	0.7
163.11337	0.7
165.12781	0.5
179.05614	2.3
191.96365	0.6
193.12346	0.8
197.11876	0.7
202.81975	0.6
203.14355	1.9
205.15895	1.0
207.17496	1.0
209.15346	0.8
211.13387	1.4
211.17079	0.8
213.14885	2.2
215.18082	0.5
221.15375	0.7
223.17244	0.7
231.17494	1.8
235.08235	15.7
235.16873	0.6
236.08621	0.6
237.14925	2.1
237.18565	0.7
239.16469	3.6
241.18008	2.8
247.13448	0.9
249.14999	1.0
249.18546	1.0
251.16632	0.6
253.09178	0.8
253.17947	0.7
259.17365	0.6
261.18546	1.1
263.16519	0.8
265.18033	2.7
267.19540	1.4
271.21512	0.5
273.18567	0.7
275.16562	4.8
277.18024	1.9
291.19818	0.6
293.21207	1.1
300.40851	0.6
313.25302	1.2
315.26874	5.0
317.28558	1.1
325.25314	8.0
333.27917	1.0
341.24905	4.9
342.25366	0.6
343.26413	8.8
344.26828	1.2
351.23273	4.0
359.25916	12.6
360.26068	1.3
361.27402	3.0
369.24329	17.4
370.24695	2.3
377.27032	1.5
385.23615	0.7
387.25394	64.7
388.25638	6.6
405.26419	56.4
406.26788	5.3
429.26382	0.9
447.27396	0.8
461.28830	0.7
476.03943	0.5
479.30109	3.0
533.31866	0.8
595.34760	2.2
605.33362	2.7
623.34320	100.0
624.34656	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1978
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
57.03449	0.6
59.01375	3.6
61.98833	1.1
69.47560	2.2
70.50374	0.3
71.01380	5.7
72.99292	0.3
73.02917	0.4
75.75003	0.3
77.03979	0.3
81.04916	0.3
85.02952	6.4
89.02434	2.1
95.01396	2.4
96.95985	0.4
101.02437	0.9
105.03466	0.5
107.05023	0.4
108.02179	0.4
109.02953	0.4
113.02454	11.6
117.03429	0.9
119.03480	0.8
123.04550	1.7
125.02446	2.3
132.02167	2.5
133.02956	34.3
134.03358	1.3
135.04523	13.7
136.04811	0.4
137.02446	0.9
151.03969	0.6
153.05559	0.9
161.02440	100.0
162.02808	3.5
175.03960	0.5
177.02026	0.3
179.03453	2.0
181.43172	0.3
243.02991	0.4
254.83144	0.3
289.07071	0.7
292.17572	0.3
297.09686	0.3
309.04282	0.4
315.10873	0.8
368.64099	0.3
382.12619	0.3
461.16623	9.0
462.16693	0.6
623.19788	48.2
624.20050	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	623.1617
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
52.51339	0.6
57.03442	1.0
59.01361	1.6
61.98819	1.8
63.02352	0.7
65.00323	0.7
71.01377	0.9
71.18127	1.5
82.37605	0.7
83.01403	1.0
85.02969	1.2
88.98822	0.9
96.96003	2.5
97.02980	0.7
107.01410	2.4
108.02113	0.9
111.00915	1.7
121.03006	1.4
125.02464	4.1
125.90142	0.7
133.02945	0.9
137.02478	1.3
145.02953	1.1
147.04556	0.8
148.01677	0.7
151.00378	5.2
152.01158	1.1
153.02036	0.8
159.99835	0.6
161.02484	1.2
163.00388	0.9
165.01926	0.7
171.04530	1.1
174.18787	0.8
175.03987	0.8
183.04495	1.6
187.03871	0.9
199.03972	5.5
203.03519	0.9
215.03494	2.5
226.02716	0.9
227.03471	5.9
242.02196	3.0
243.02953	25.8
244.03656	3.1
254.02193	1.4
255.02972	16.6
256.03525	1.1
257.04477	3.6
268.07532	0.7
270.01608	3.5
271.02457	50.2
272.03113	6.7
285.03967	7.1
286.04822	1.8
287.05588	3.3
289.07260	2.1
299.01962	41.2
300.02695	44.4
301.03223	2.6
314.01111	0.7
314.04291	35.9
315.05075	100.0
316.05270	5.5
357.06357	0.9
389.16132	1.1
444.85016	0.7
486.19333	0.8
618.35065	0.8
623.16125	85.3
624.16260	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	623.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36862	2.0
53.01374	2.3
59.01380	7.6
59.01706	1.9
61.98828	4.9
65.00326	4.5
71.01394	4.8
71.51308	2.7
71.71070	2.1
72.99281	3.6
75.00880	22.8
78.20147	2.3
89.00312	4.8
89.02454	3.9
95.01391	2.8
96.92877	2.4
96.96012	11.3
106.00607	9.0
107.01373	3.0
109.02901	4.2
111.00881	2.5
116.99870	2.3
121.02936	2.2
123.04521	24.5
125.02447	6.6
133.02951	6.1
134.00081	9.1
135.00850	6.1
135.02989	25.6
135.04567	2.9
137.02440	3.7
142.72905	2.0
149.02460	4.0
149.99628	3.2
150.03233	48.1
151.00400	10.8
151.04019	61.7
152.01126	5.5
153.01961	2.9
161.84154	1.9
161.99562	10.2
163.00377	41.5
163.04041	3.9
164.01100	3.1
165.01942	3.5
169.01469	4.0
176.98270	7.8
178.99873	8.9
189.99080	89.3
190.99762	7.8
193.04996	3.4
206.99300	4.7
208.00145	6.5
209.00624	2.6
211.03978	3.2
225.05470	6.8
227.03592	3.6
229.04897	3.9
234.98772	3.2
235.03995	4.4
251.03461	6.5
253.05063	25.6
267.02954	5.0
268.03622	3.2
269.04468	6.2
279.03021	18.9
295.02484	11.0
296.03323	12.6
297.04120	38.1
297.09662	36.1
298.04456	3.2
305.00787	2.8
313.03491	6.4
323.01962	51.9
324.02448	5.1
331.04489	2.9
341.03043	6.1
386.15469	2.3
413.06018	2.5
425.09039	2.8
443.09863	16.2
469.07623	8.5
475.08868	4.1
477.10278	16.5
487.08838	100.0
488.09305	8.3
505.10007	8.4
533.09277	5.5
559.22583	3.0
560.23291	10.0
572.87280	2.9
633.20135	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	623.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68164	1.7
59.01377	4.1
65.00323	7.0
71.01385	1.5
71.50868	1.5
71.51345	2.0
72.99321	2.3
75.00875	25.9
81.21539	1.5
87.00863	2.2
89.00322	8.0
89.02461	3.9
95.01408	2.3
95.75201	1.5
99.00861	2.3
106.00610	9.5
107.01360	3.6
108.02202	2.1
109.02972	3.3
110.00100	1.9
111.71904	1.3
119.01414	1.8
123.04519	23.8
124.01667	1.9
125.02435	2.9
132.03108	1.9
133.02942	8.0
134.00111	9.4
135.00870	4.8
135.03000	33.1
135.04544	2.5
137.02419	3.6
149.02463	6.2
149.99655	1.8
150.03229	49.9
151.00383	8.7
151.04008	76.0
152.01143	3.5
152.04333	2.7
153.01921	2.2
161.99573	10.4
162.99002	3.3
163.00371	52.7
164.00940	2.6
165.01894	2.3
175.03925	2.0
176.98206	8.0
178.99934	8.0
187.00298	2.0
189.99075	96.9
190.99756	10.4
192.00670	2.7
193.05013	2.5
197.06012	2.1
206.99333	4.7
208.00139	5.3
208.05249	1.6
210.03088	1.8
211.03909	2.6
218.99345	2.2
223.04129	3.4
224.04793	3.5
225.05571	8.2
227.03502	4.8
228.04076	2.1
229.05093	3.9
235.04008	4.1
235.99614	1.5
250.02676	2.7
251.03500	8.3
252.04068	1.9
253.05038	32.6
254.05424	1.6
254.70709	1.5
266.02145	1.6
267.03015	6.0
268.03662	4.2
269.04568	5.4
278.02277	4.1
279.02988	14.9
295.02451	9.3
296.03177	15.8
297.04077	39.4
297.09714	39.5
298.04352	2.6
298.10196	2.5
303.05069	1.7
305.00879	3.3
313.03543	7.9
323.01956	63.1
324.02356	6.1
325.03418	2.3
331.04535	4.9
341.02982	6.9
342.03586	1.8
359.04004	2.7
414.99097	1.6
425.08954	3.0
443.09796	19.2
444.09677	1.7
469.07541	8.1
475.08743	5.5
477.10486	17.7
487.08804	100.0
488.09116	12.4
503.08484	4.1
505.09982	7.9
507.11087	1.7
533.09668	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	620.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01378	3.6
61.98830	11.6
71.01376	1.4
71.51412	0.5
71.51784	0.6
72.99329	1.0
79.01888	0.9
85.02921	1.2
89.02438	1.2
95.01392	1.1
96.96027	0.9
101.02435	1.1
102.66970	0.5
106.70750	0.5
107.01383	1.6
107.46294	0.5
111.00896	1.3
123.00887	7.0
124.01645	0.6
125.02453	10.4
127.00361	0.9
130.47255	0.6
139.00383	2.6
140.01134	1.8
151.00377	4.4
153.01872	1.0
160.52737	0.6
167.03525	1.1
168.00621	3.9
169.01430	16.2
179.41620	0.5
211.02469	8.8
271.04562	11.3
272.04950	1.1
276.54129	0.6
313.05612	1.2
313.55820	0.6
541.85284	0.6
557.22357	100.0
558.22723	10.5
565.78156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90630	1.6
61.98829	100.0
70.91550	2.0
70.91882	2.6
78.95923	4.7
86.49953	1.8
152.99577	2.7
255.23286	2.6
594.27997	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79405	0.4
66.97192	0.4
69.73798	0.4
72.00903	1.0
74.02478	3.2
82.02984	3.4
84.04543	7.8
86.02484	1.3
103.69509	0.5
119.20233	0.4
128.03535	6.9
128.10829	1.4
141.10304	2.2
142.12350	0.8
154.12346	0.8
167.11909	1.8
168.09058	0.4
169.13463	2.9
171.15051	4.3
195.11388	0.9
197.12943	27.8
198.13235	0.8
215.13989	100.0
216.14337	3.7
291.76492	0.5
367.98080	0.5
462.05191	0.4
616.12384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2561
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.26785	0.6
58.15205	0.7
61.98817	1.7
73.88937	0.6
77.69455	0.6
78.95878	1.2
152.99545	1.1
245.65930	0.8
401.13992	2.4
415.15601	4.0
416.16415	10.8
417.16586	1.3
429.17081	1.7
430.17899	2.5
431.18665	1.9
434.17413	0.8
443.14969	0.8
444.15567	1.4
445.16183	0.9
448.15350	1.2
458.17200	1.0
459.18234	100.0
460.18701	14.4
473.19812	16.4
474.20477	5.7
475.21463	1.0
485.16110	1.3
487.17538	1.4
503.17419	2.5
512.18390	1.0
517.18390	1.3
518.19562	48.3
519.19702	6.2
532.21179	9.8
533.21912	93.5
534.22150	13.6
543.20764	0.9
572.97247	0.8
587.22876	7.7
619.25586	72.8
620.25958	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	619.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02190	2.0
59.01364	6.9
60.99292	16.6
61.98812	8.7
71.01360	4.7
73.02955	2.7
78.95906	4.1
83.01385	2.2
83.34940	1.7
85.02940	1.9
87.00840	3.6
88.00397	7.7
88.98802	100.0
89.02437	48.3
98.20662	5.1
125.02454	3.1
231.13857	2.1
253.09222	2.8
339.23260	6.8
357.24481	2.1
365.21194	3.1
383.22256	16.8
401.23251	13.8
414.80243	2.2
619.31244	36.7
620.31659	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	619.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.5
60.99305	19.1
61.98834	8.3
71.40118	2.9
78.95886	4.0
87.00845	2.0
88.00401	4.6
88.98808	100.0
89.02448	27.3
92.10169	1.7
113.02444	1.9
125.02393	2.0
132.58043	1.6
171.10222	1.4
373.98538	1.6
383.22162	4.9
401.23257	3.2
401.54068	1.8
619.31189	11.6
620.31146	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	618.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24516	0.5
61.98832	100.0
66.44378	0.5
67.00341	0.5
69.20329	0.7
69.20647	5.1
78.95905	3.6
87.63372	0.5
90.10342	0.6
99.00911	0.6
100.10735	0.6
152.99634	1.2
181.12454	0.6
199.13431	1.1
207.10381	0.9
225.11333	1.7
255.23322	4.1
555.38916	6.4
556.39703	0.9
619.36200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.99249	0.4
70.71665	0.7
70.71983	0.3
78.95915	1.5
122.70405	0.3
125.02399	0.3
152.99617	0.5
180.65396	0.4
234.79234	0.4
255.23334	1.3
555.38330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92485	0.2
56.75026	0.2
57.03432	0.3
59.01379	0.6
61.98829	100.0
65.19523	0.2
71.21516	0.2
71.52319	0.3
85.02947	0.3
89.02451	0.3
90.80312	0.2
96.96020	2.1
96.96973	0.5
102.61043	0.2
113.01273	0.2
116.92879	0.3
119.05030	0.5
121.02931	0.4
123.00888	0.4
123.04549	0.4
125.02440	1.2
135.04474	0.3
135.57892	0.2
137.02477	0.4
151.00432	0.2
151.04047	0.2
161.02292	0.3
163.03972	0.4
165.02026	0.3
167.03543	0.3
169.01482	0.7
180.04274	0.2
182.02209	0.7
197.04593	0.8
289.07266	0.5
347.07632	0.3
348.08414	0.5
357.51657	0.2
547.00385	0.2
618.29028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3177
Annotation	Guangomide A
Peak:m/z	Relative Intensity
52.23888	0.6
57.03441	0.9
59.01375	4.1
60.93452	0.6
61.98828	2.6
71.01383	4.0
72.99296	1.8
73.02933	1.1
79.44411	0.6
83.01378	0.8
83.05049	0.9
85.02937	1.5
87.00863	1.4
88.98814	0.7
89.02464	3.0
97.02982	1.1
97.06580	1.2
101.02442	4.5
111.08167	1.0
113.02473	1.9
119.03458	0.7
122.97623	0.6
123.04552	0.7
125.02433	1.9
125.09730	2.2
127.11312	2.2
161.04562	1.8
163.11305	0.9
165.12845	8.5
171.10269	100.0
172.10599	4.1
183.13896	76.0
183.49368	0.6
184.14290	3.6
184.15683	0.6
185.11833	0.8
187.09752	1.1
189.23982	0.6
199.13495	0.9
209.11821	10.8
211.13373	1.3
212.14037	0.8
227.12874	7.4
228.13118	0.8
235.08279	3.7
253.09267	5.8
273.62997	0.6
289.07117	0.8
407.19324	1.1
431.23267	0.7
445.20737	1.9
463.21945	5.5
617.31769	72.6
618.32178	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	617.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01378	3.2
61.98819	3.0
69.40318	1.7
69.40730	1.0
71.01382	2.9
73.02948	0.6
73.66273	0.3
80.02697	1.2
81.03474	0.9
83.01392	0.9
83.05028	3.1
84.02174	0.6
85.02976	0.9
87.00861	0.4
89.02439	2.0
93.03475	0.4
94.41031	0.3
95.05006	0.4
97.02951	0.5
99.00816	0.3
101.02439	2.8
109.06612	0.3
113.02445	1.2
119.03542	0.4
125.02456	0.7
125.06108	0.8
125.09722	1.2
127.11311	2.0
135.08162	0.5
137.02489	0.7
146.66719	0.3
153.09209	0.5
154.39804	0.3
161.04596	0.9
163.11266	2.5
165.12854	1.5
171.10265	100.0
172.10638	4.2
181.51091	0.3
187.11238	0.4
191.10889	0.5
199.13391	0.9
209.11816	86.7
210.12157	5.2
227.12881	11.8
228.13156	0.6
235.08186	2.5
245.69818	0.3
249.03748	1.1
253.09285	7.5
263.70694	0.4
289.07242	0.4
327.25443	0.8
357.26303	2.6
363.21725	0.6
368.05200	0.4
385.64935	0.4
407.19089	1.3
445.20636	0.8
581.29706	0.8
617.34515	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	618.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01383	2.6
61.98830	100.0
62.39135	0.7
70.45934	1.8
71.01401	1.1
88.98814	1.5
89.02390	1.1
93.03431	0.9
96.96024	3.3
98.11150	0.9
109.02968	1.7
121.02969	1.3
122.03732	1.4
123.04520	1.5
124.71925	0.8
125.02454	6.9
126.02742	1.1
133.02953	1.1
134.03754	1.5
137.02478	4.5
138.02788	0.8
145.02989	1.3
149.02458	4.2
150.03227	10.8
151.03819	3.0
152.38240	0.7
153.01945	2.3
161.02393	1.5
163.04007	0.9
164.04810	1.6
165.01891	1.2
165.05556	6.7
166.05902	2.3
169.01465	1.6
171.10234	2.3
172.10591	0.9
175.03998	1.6
177.01828	1.1
179.03467	1.4
180.04192	0.9
181.05025	1.1
182.05748	1.9
189.01959	1.6
195.06580	5.1
196.03772	2.1
196.06990	2.3
209.11856	1.5
211.06133	3.2
212.06500	2.7
219.02913	0.8
250.89970	0.7
253.09293	0.8
285.03983	1.0
289.07156	1.9
421.18597	2.3
422.18970	2.9
454.11148	1.6
472.11987	1.2
570.24298	3.4
621.17432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1146
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03441	2.8
59.01376	8.5
61.98830	72.6
63.55241	2.1
65.00327	22.2
68.26829	2.2
69.18412	19.5
69.23117	2.1
71.01375	2.9
81.03455	2.2
83.01388	7.9
93.02913	2.0
93.03452	2.6
95.01379	3.0
96.95984	6.5
101.02425	3.0
104.54045	2.4
107.01387	32.3
108.02192	4.9
109.02948	4.9
111.00906	3.2
113.02438	2.4
121.02966	8.3
122.03741	3.2
123.00880	11.4
123.04529	19.5
124.01654	4.2
125.02440	53.8
126.05379	1.9
133.02969	5.7
135.04475	14.7
137.02422	7.4
139.00357	5.0
140.01170	3.3
147.04552	3.0
149.02432	8.2
150.03221	31.0
151.00368	69.7
151.01578	3.5
151.03996	36.2
152.01151	12.3
153.01935	3.5
159.04536	5.4
161.02408	5.4
164.01231	2.3
165.01921	8.7
165.04340	1.9
165.05557	13.1
166.02643	6.4
167.03433	6.0
168.00668	9.8
169.01411	57.6
171.04613	2.6
174.03127	2.6
175.03967	6.0
176.01114	6.2
177.01895	9.5
178.99796	9.2
180.04266	2.8
181.05051	8.8
187.03967	2.6
189.05463	2.5
193.01414	9.6
195.02968	4.1
195.06618	9.1
199.03966	18.9
203.07133	2.5
209.04523	6.6
211.02470	31.7
213.05496	2.6
215.03488	4.2
217.05080	6.0
225.07558	2.6
225.11258	5.6
229.05061	2.2
241.05177	4.8
243.02992	2.7
243.06561	3.5
257.04538	8.8
258.05203	2.0
267.03021	7.0
271.04553	65.5
285.04028	79.8
286.04349	5.2
289.07230	3.1
303.04980	2.7
313.05731	13.1
313.08865	2.8
316.30731	1.9
331.06732	14.9
355.06714	6.2
368.76898	2.3
369.91632	2.4
398.00803	2.3
421.10764	2.4
465.10361	95.8
466.10608	9.0
491.08264	23.2
507.07849	6.5
551.77948	2.1
599.10260	7.9
617.11420	100.0
617.20679	7.4
618.11670	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	617.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13783	1.1
57.03442	1.6
58.00584	1.6
59.01382	11.1
61.59411	1.1
62.84949	1.0
65.42501	1.1
71.00465	1.3
71.00795	1.9
71.01031	1.0
71.01378	9.7
71.87168	1.0
73.02967	2.4
78.64498	1.1
83.05026	5.7
85.02946	11.6
85.99444	1.1
89.02447	4.2
95.01356	1.2
95.05028	14.9
99.00867	7.0
101.02467	2.7
111.04525	6.6
113.02441	2.8
113.06084	46.5
114.06423	1.3
127.04028	2.6
129.01956	2.1
129.05574	9.1
139.03999	6.3
141.01929	3.4
146.48207	1.1
149.04584	1.7
157.05093	8.0
166.99840	1.3
173.04539	14.3
175.06152	2.0
183.02994	6.2
194.22089	1.1
201.04033	100.0
202.04324	3.8
209.71841	1.2
219.05196	1.6
220.92242	1.2
238.46281	1.0
599.19769	79.3
600.19983	10.4
617.20856	67.9
618.21051	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	615.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71822	0.6
56.51118	0.7
57.03442	5.6
58.00599	1.1
59.01379	20.6
61.98830	6.3
69.03447	1.1
69.58051	4.6
71.01378	13.2
72.99303	1.8
73.02957	3.7
74.02442	0.8
81.03477	0.7
83.01375	1.5
83.05019	1.0
85.02941	2.3
87.00877	1.0
87.05630	0.6
89.02450	7.7
95.05003	0.8
96.95993	0.8
97.02958	1.5
97.06590	0.7
98.19940	1.3
99.00877	0.7
101.02455	5.6
109.02943	1.3
109.06597	2.0
109.64972	0.7
111.08165	5.0
113.02442	3.4
119.03507	1.9
119.32082	0.7
121.02998	0.6
121.06602	0.8
123.04467	1.5
125.02452	3.7
128.03534	1.1
135.04594	1.0
137.02443	2.4
137.09756	0.8
143.04605	0.8
151.00375	2.4
151.03967	1.1
161.04494	1.1
163.11299	2.6
165.01938	1.3
165.12842	24.5
167.14409	1.7
171.10260	16.7
181.12268	1.3
183.13902	58.1
184.14241	2.6
185.11890	1.9
195.13844	1.4
197.11687	1.0
197.15480	25.4
198.15828	1.2
207.10245	9.3
207.13829	3.4
208.10643	1.1
209.11868	6.1
211.13391	1.1
225.11349	10.1
225.14923	4.9
227.12875	6.2
235.08258	1.7
241.14420	1.2
251.13101	0.7
253.09279	2.0
271.02527	0.8
287.05679	1.2
289.07248	1.6
306.07773	1.6
307.48495	0.8
317.03030	1.5
333.05414	0.8
443.02545	0.8
461.20236	2.1
597.29822	1.2
615.33868	100.0
616.34332	14.3
620.44910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77362	1.2
61.66647	1.4
70.23129	4.2
76.43668	1.5
78.95905	78.7
79.71015	1.6
96.96964	8.5
101.84588	1.3
136.92177	1.2
143.95302	1.4
152.99586	64.3
176.42926	1.5
180.94635	1.4
195.13852	3.1
205.12378	3.8
209.11821	2.9
211.13368	3.9
223.13382	25.2
255.23283	100.0
256.23642	4.8
359.12619	9.5
377.13437	1.5
379.15262	2.3
391.22488	27.5
392.22922	1.7
409.23654	18.8
410.24274	1.8
615.36603	22.9
616.36670	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	616.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04262	0.6
51.18824	0.6
61.98830	100.0
63.76745	0.4
65.08846	0.6
69.20892	2.0
69.21313	3.0
71.32199	0.5
78.95895	0.9
121.09974	0.5
131.48918	0.6
148.02919	0.5
152.99605	0.9
179.10840	0.9
197.11832	2.5
206.77148	0.5
220.58730	0.5
241.02939	0.6
255.23241	3.5
307.03708	0.5
315.14365	0.6
553.37402	7.2
567.51251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47147	0.4
54.03246	0.5
59.01382	1.0
61.98537	0.7
61.98834	7.8
67.01869	1.3
71.01385	1.2
71.51691	0.9
79.04099	0.5
83.01373	0.9
85.02943	0.5
88.98812	0.6
96.95992	0.9
97.03046	0.5
101.02423	0.8
101.03505	0.4
105.21645	0.5
107.01406	0.8
107.47265	0.5
109.02962	1.8
109.06538	0.5
110.11794	0.6
111.00875	0.6
116.92884	0.7
120.66181	0.6
123.04552	0.6
125.02457	5.1
132.03044	1.0
134.03641	0.6
135.04478	0.9
136.01636	1.1
136.98807	0.6
137.02443	20.6
139.00374	0.6
140.01190	0.5
145.03073	0.5
149.02444	1.9
150.03235	5.9
151.00392	2.1
151.03973	2.3
153.01929	0.7
160.01639	0.7
161.02467	1.0
164.01164	1.5
165.01929	100.0
165.05562	5.3
166.02328	2.6
168.00652	0.9
169.01459	1.0
171.10260	2.9
175.03975	0.9
179.03497	15.1
180.04282	55.7
181.04721	2.4
183.02992	0.8
194.05875	2.5
195.03069	3.0
195.06624	78.8
196.06943	3.0
207.10272	2.0
210.05319	13.4
211.05792	0.6
225.07684	76.6
226.08070	3.3
243.19211	0.6
259.06024	1.5
269.04636	0.9
270.08969	0.9
275.86899	0.6
285.11340	1.2
287.05576	1.4
289.07248	0.9
298.08676	0.9
299.09229	1.3
313.11014	1.0
314.07990	1.2
315.05087	1.0
317.05786	0.6
326.08060	0.8
329.10303	3.6
341.10358	4.0
344.12595	4.2
356.12625	1.6
359.15018	14.0
360.15237	0.8
371.14999	9.9
372.15567	0.6
388.08377	0.6
389.16125	0.9
483.20370	0.7
537.21118	0.7
552.25262	0.8
567.22546	1.7
568.21552	0.6
615.20612	4.9
615.30652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34376	0.6
59.97400	0.6
60.53988	0.5
61.98834	1.1
67.01884	0.8
69.20143	2.8
69.20568	2.6
87.67181	0.6
107.01368	0.9
109.02952	1.6
118.93742	0.5
122.03751	0.7
123.00904	0.7
125.02454	1.7
136.01654	2.4
137.02448	17.2
149.02405	1.6
150.03212	4.3
151.00333	1.9
151.04021	2.2
160.01637	0.8
163.04024	1.6
164.01170	3.9
165.01933	100.0
165.05571	3.5
166.02277	3.1
167.03499	1.1
171.10326	0.8
179.03502	30.6
180.04288	57.6
181.04675	1.8
194.05835	5.4
195.02960	2.3
195.06628	72.9
196.06960	3.2
210.05322	12.5
215.13930	0.8
223.09824	0.7
225.07677	58.5
226.08073	2.4
232.63802	0.6
270.08871	1.6
284.02917	0.7
285.04242	1.3
285.07480	0.7
285.11237	1.2
298.08533	0.7
299.09158	0.8
311.09427	0.9
312.10501	0.6
314.08047	1.0
322.14502	0.6
325.10870	0.6
326.08121	0.9
326.11957	0.7
327.12433	1.7
328.13147	4.3
329.10321	4.1
341.10172	4.6
341.13669	1.2
343.15628	1.4
344.12683	5.2
345.13150	1.3
356.12741	2.2
359.15009	14.4
360.15512	1.2
371.14963	12.7
389.16119	2.6
491.16898	0.8
493.18512	0.7
522.19104	0.9
537.21967	5.3
567.22327	38.2
568.22479	4.3
615.23804	3.0
615.92651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15539	1.2
59.01381	7.0
59.56078	1.4
61.98829	87.8
62.59369	1.2
65.00336	2.0
70.15557	6.4
71.01393	4.1
85.03001	1.9
88.98801	3.2
89.02440	2.8
99.00889	5.3
101.02453	2.7
107.01376	2.6
108.02210	1.6
109.02951	48.2
113.02498	1.8
121.02945	2.0
123.00900	8.9
123.04478	2.5
124.01608	1.3
125.02421	15.5
125.24151	1.3
126.73706	1.3
130.71289	1.4
137.02463	3.3
139.00375	3.5
148.79393	1.7
151.00339	7.4
153.01933	74.9
154.02280	2.8
165.05484	1.9
165.27724	1.6
168.00703	2.9
169.01450	13.0
211.02518	3.4
241.05013	2.1
297.11673	1.7
317.03088	2.3
551.17487	57.3
551.25024	100.0
552.17786	8.2
552.25458	11.1
582.62311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24450	0.9
54.69036	0.9
57.03448	8.5
58.08987	0.9
59.01376	1.8
59.50721	0.9
61.98832	10.1
63.02391	1.3
64.43858	0.8
65.00321	15.6
71.01369	1.0
71.52597	1.7
82.95419	1.8
83.01372	7.4
89.02451	1.0
89.58934	0.9
95.01372	2.2
95.05009	1.1
96.96017	7.2
97.02979	0.9
100.52097	0.8
107.01389	18.4
109.02943	2.2
111.00897	2.0
113.02457	1.0
119.05015	1.5
121.02956	2.8
122.03728	1.6
123.00865	2.7
123.04520	13.1
124.01653	2.8
124.43689	1.0
125.02445	83.5
126.02798	2.5
126.24356	0.9
131.87140	0.9
133.02954	2.4
135.04504	3.7
137.02438	3.3
137.35376	1.1
139.04036	2.5
140.01129	1.0
147.04561	2.5
149.02449	6.0
150.03259	5.7
151.00369	60.3
151.03998	18.1
152.01138	7.7
153.01939	10.0
161.02473	1.8
161.05988	1.4
163.03975	1.6
165.01932	2.5
165.05573	1.7
168.00648	1.6
169.01419	5.2
171.04497	2.7
171.10260	3.3
174.03212	4.1
175.03992	19.0
176.04463	1.1
177.01930	21.8
178.99850	13.1
181.01402	2.2
183.02957	3.2
185.06131	1.2
188.04671	2.1
189.05511	3.8
193.01405	3.5
193.05025	1.3
199.04027	9.1
201.01872	2.5
207.10239	1.5
213.05568	2.3
215.03511	2.3
217.05028	11.9
225.11253	1.4
231.06711	1.2
241.04996	7.7
243.02957	2.5
257.04507	2.6
259.06091	5.3
269.04355	1.3
275.05624	4.0
285.04044	100.0
286.04480	5.2
296.05356	1.1
302.04108	1.2
303.05093	86.7
304.05466	5.5
317.02817	1.7
321.06177	1.0
329.08582	1.0
339.07120	1.1
359.15079	1.8
371.08295	1.1
435.73389	1.0
451.21744	0.9
463.12445	5.3
551.24841	3.1
552.25293	22.0
553.25616	1.4
615.13416	14.5
616.13483	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	614.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64826	0.7
59.01366	2.5
61.98830	50.8
65.00298	0.6
69.24239	6.7
71.01379	2.1
73.02940	1.0
74.68822	0.7
85.02937	1.2
87.00906	0.9
89.02446	2.4
91.01898	0.8
93.03465	0.7
99.00877	3.6
101.02409	1.1
109.02952	57.0
110.03306	0.9
113.02453	1.9
119.03527	0.8
123.00893	1.0
123.04536	0.8
125.02457	3.1
137.02448	2.9
139.00345	1.0
139.02863	0.7
149.04558	0.7
149.15948	0.7
150.03287	1.2
151.00325	1.3
151.03606	1.0
153.01936	100.0
154.02315	2.1
165.05562	1.4
166.05959	0.8
169.01485	1.6
175.33238	0.7
191.05531	1.0
195.06625	1.0
245.54108	0.7
289.07095	1.3
317.02847	0.8
381.29413	0.8
510.17560	0.8
518.06226	0.8
551.17682	69.3
551.25079	8.0
552.18066	8.6
615.13727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
60.99305	0.2
61.98829	100.0
70.56534	0.3
70.56872	0.5
71.01375	0.5
86.42096	0.2
88.04082	0.3
88.98826	0.7
89.02425	0.3
93.03486	1.0
95.01397	0.3
96.96040	0.5
97.38907	0.3
97.39507	0.2
101.02460	0.3
108.02190	0.2
109.02937	0.4
116.94096	0.3
119.05085	0.4
123.00919	0.4
123.04483	0.3
125.02451	1.1
137.02431	1.3
149.02483	0.2
151.04099	0.2
152.01237	0.4
163.04042	0.5
165.01971	0.5
165.05705	0.3
168.00676	0.2
169.01401	0.8
180.04283	0.3
195.06645	0.2
201.13022	0.2
216.07816	0.2
225.11537	0.3
266.70712	0.2
273.95099	0.2
333.37387	0.2
351.52878	0.2
429.10614	0.4
431.12015	2.6
551.24847	2.0
552.25531	0.3
614.25946	0.5
628.83081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71814	1.5
52.88601	1.3
57.03431	4.7
59.01373	5.6
61.98830	37.3
65.00332	4.2
71.01381	4.5
71.52503	2.7
83.01385	3.2
87.08617	1.4
88.98820	3.2
89.02422	1.6
93.03445	1.3
95.01460	2.0
96.96012	4.0
101.02447	2.2
107.01385	11.6
109.02936	1.8
109.87312	1.6
123.00873	9.6
123.04516	4.9
124.01622	2.5
125.02450	39.5
132.03035	1.5
135.04535	1.7
136.98782	2.0
137.02432	2.8
138.90640	1.7
139.00336	2.5
140.01155	2.5
149.02402	3.7
150.03201	7.2
151.00356	25.6
151.04001	6.0
152.01105	4.8
153.01933	3.7
161.02390	2.2
163.30211	1.4
165.05536	4.9
168.00632	2.2
169.01416	16.1
171.10252	2.7
175.03975	7.5
177.01935	7.6
178.99854	4.1
183.39407	1.4
195.06599	2.7
199.03969	4.6
203.07005	1.7
211.02449	4.6
217.05002	4.0
229.04996	1.4
241.05078	2.1
259.05954	2.7
269.04538	2.4
271.04541	3.2
285.04056	33.5
289.07196	3.1
303.05087	29.1
306.81641	1.5
317.03012	2.6
389.15729	2.0
463.12543	1.8
537.21112	4.0
551.24976	100.0
552.25549	7.8
615.13324	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
67.82980	1.3
84.75300	1.1
90.97181	1.1
111.13259	1.2
126.68956	1.2
136.11389	1.1
177.20576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
61.98828	100.0
69.35338	0.7
69.35762	0.9
91.01902	0.3
96.96038	0.2
107.01399	0.4
109.02978	0.5
123.00912	0.3
125.02473	0.8
135.00908	0.3
137.02441	0.5
149.02499	0.2
150.03259	0.3
151.00343	0.9
151.03986	0.3
152.01135	0.2
153.01941	0.4
165.05580	0.4
169.01421	1.1
178.99873	0.5
184.18097	0.2
187.47159	0.2
195.06667	0.4
233.97972	0.2
316.02289	0.3
317.02963	1.5
362.84262	0.2
551.25055	3.6
552.25378	0.2
601.64429	0.2
615.09790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.8
61.98838	3.2
63.91771	0.7
69.51013	3.3
69.51433	1.5
71.01377	1.2
78.95903	50.6
80.91683	4.2
95.05013	1.0
96.96964	10.0
98.20538	1.4
113.09698	2.4
150.97951	0.9
152.99582	61.6
154.66452	0.7
171.00667	1.4
177.76443	0.6
179.14374	1.3
195.09990	0.7
195.13895	16.7
196.14183	1.1
223.00105	7.5
241.01176	20.5
242.01483	0.9
253.09235	2.2
259.02219	0.7
275.06467	1.1
277.21713	14.3
278.11359	1.1
278.22095	1.0
293.21176	4.2
295.22757	53.0
296.23062	4.6
314.16000	0.6
315.04846	9.4
333.05786	1.2
375.21429	1.7
376.22620	0.6
593.29187	0.7
611.28320	100.0
612.28754	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	613.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60619	0.5
59.01390	1.0
61.98827	1.1
64.11318	0.6
65.00320	1.3
69.03445	0.9
70.13588	2.6
71.01383	1.1
72.99309	1.0
83.01360	0.7
84.27618	0.6
85.89336	0.6
88.98807	0.7
91.01905	2.0
95.01397	2.7
98.80902	0.6
102.93491	0.6
107.01409	1.8
108.02181	1.7
109.02972	0.9
111.00877	2.4
121.02964	1.2
123.00890	14.2
123.01762	1.0
123.04530	5.4
124.01664	35.4
125.02454	19.0
125.03170	0.4
126.02876	0.7
135.17833	0.7
137.02419	1.0
149.02437	0.9
149.99586	46.9
151.00371	4.0
151.03954	1.6
152.01083	2.6
153.01990	0.9
166.99893	0.8
167.03479	9.4
168.00639	91.8
169.01321	7.1
179.03539	1.4
227.12920	2.1
239.05609	0.8
285.03790	0.9
286.04160	0.8
287.04657	0.8
293.12158	0.7
313.05399	0.7
331.06744	4.7
361.05350	0.7
401.11359	0.8
463.10779	1.0
525.84979	0.7
587.08850	0.7
595.13910	1.0
613.14069	100.0
614.14447	12.2
632.98889	0.7
641.97443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03442	0.8
58.28919	0.8
59.01394	3.5
59.01619	0.6
60.99292	2.2
61.98826	18.7
68.60659	0.7
69.03439	2.8
69.14420	6.5
69.14830	1.1
71.01383	2.1
72.99302	2.1
73.02934	1.0
74.75977	0.9
76.61963	0.7
81.03483	0.7
83.01398	0.9
85.02930	3.2
88.98804	17.6
89.02428	2.5
95.01340	0.8
96.96008	1.1
97.02943	0.9
97.90327	0.8
98.20754	1.3
99.00861	1.6
101.02468	1.4
107.01385	0.9
108.02171	48.1
109.02975	11.8
111.20812	0.8
113.02413	1.7
116.92828	1.3
121.02934	2.1
123.00835	1.1
123.04492	2.0
124.39587	0.7
125.02449	3.5
129.20517	0.7
135.04474	1.3
137.02411	2.9
138.03275	0.7
139.11304	1.6
149.02515	1.2
150.03123	1.2
151.00307	1.0
151.03981	1.5
152.01146	91.8
153.01851	3.9
153.09248	0.8
161.02379	2.3
163.04025	4.0
165.01848	1.9
165.05473	1.5
169.01414	0.9
174.51129	0.9
175.04048	1.1
177.01866	1.8
179.03444	1.7
181.05043	1.1
183.10210	1.6
187.03970	1.8
205.05093	1.0
207.02905	0.9
211.09724	1.4
222.82559	0.7
269.04483	0.8
289.07172	2.0
297.06210	1.0
315.07312	1.2
384.19138	1.0
407.15063	0.8
411.14563	0.9
429.10300	13.0
430.10745	1.4
447.11581	6.2
451.14124	10.5
452.14456	1.1
495.81293	0.8
613.21228	100.0
614.21503	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	611.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00746	1.0
51.65814	1.1
57.03444	1.5
58.00592	2.6
59.01380	53.3
59.60390	1.0
61.98828	13.3
65.00300	1.8
65.65696	1.1
71.01008	2.5
71.01377	36.9
71.51689	1.6
72.99288	4.2
75.00876	1.2
83.01371	3.5
85.02956	7.2
87.00867	4.3
88.98798	2.1
89.01929	2.0
89.02444	27.1
93.03450	1.2
95.01369	2.9
96.96003	2.2
97.78616	1.2
99.00863	1.7
99.03902	2.3
99.04512	28.4
101.02448	15.3
103.00336	2.9
107.01342	2.8
109.02882	1.4
111.00877	1.4
111.04494	2.7
113.02451	11.9
115.76975	1.1
119.03507	9.0
121.02917	1.3
121.06633	1.8
123.04495	1.8
125.02425	9.5
131.03479	1.2
135.04517	2.9
137.02435	1.9
143.03481	1.7
150.03238	2.0
151.00378	8.2
151.03946	4.1
152.01170	1.8
161.00909	2.9
165.01927	1.4
169.01402	1.1
177.01874	1.3
178.99861	1.9
189.12837	8.4
200.72337	1.5
207.13887	46.2
233.11795	1.8
239.09268	2.8
240.09509	3.9
251.12857	98.6
251.31090	1.1
252.13176	4.7
259.05988	1.3
261.80402	1.2
264.06253	1.2
269.13852	2.7
283.06094	1.4
284.03113	1.9
285.04126	6.5
285.06702	1.8
287.05701	1.8
303.05066	2.6
389.15866	1.9
431.19174	85.8
432.19391	7.4
447.09283	1.9
449.10620	6.5
449.20291	3.0
465.10196	1.4
475.16193	2.9
548.20477	3.3
611.17615	3.5
611.25470	100.0
612.25769	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	611.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81236	0.4
57.03437	0.4
58.55817	0.4
59.01376	100.0
60.01712	0.5
61.98830	2.7
65.57375	0.4
70.23248	1.7
70.73040	0.4
71.01384	0.8
85.02947	0.4
87.00858	0.5
103.00375	0.5
108.02158	0.4
109.02979	0.5
113.02454	0.4
123.04528	0.5
125.02443	3.4
130.52422	0.4
133.02940	0.5
137.02435	0.6
151.00381	1.8
151.04044	0.8
152.01137	1.8
161.00937	0.4
161.04562	0.5
161.07239	0.4
165.60159	0.4
169.01440	0.5
175.03998	0.5
178.99884	0.8
191.81982	0.4
270.08881	0.6
285.03979	3.0
285.11429	0.8
289.07211	0.7
299.09375	1.0
303.04941	0.8
311.09476	0.7
314.08096	0.9
326.07977	1.0
329.10245	3.4
341.10132	3.3
344.12622	5.7
345.13193	0.5
356.12900	1.8
359.14993	17.7
360.15329	1.4
369.15652	0.8
369.63132	0.5
371.14984	12.6
372.15308	1.0
437.11118	0.8
447.09366	0.7
449.09833	0.7
465.10269	5.5
466.10889	0.8
582.84784	0.6
611.15552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1615
Annotation	Taxifolin 3-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
52.38839	0.8
55.06871	1.1
57.03443	4.5
59.01387	1.1
59.14528	0.9
63.02388	2.1
63.53972	1.0
65.00321	11.3
69.39057	4.9
69.39476	2.3
73.62020	1.0
83.01382	8.8
93.03407	1.0
107.00713	1.8
107.01385	19.5
109.02931	5.2
115.74986	0.9
116.07053	0.9
121.02966	1.6
123.04550	5.1
124.01714	2.0
125.02443	74.5
126.02763	1.2
131.01364	2.1
132.02058	0.9
133.02971	2.5
135.04483	1.3
137.02399	4.2
139.04016	1.7
146.04605	1.7
149.02431	13.1
150.03215	4.1
151.00365	88.2
151.04015	8.8
152.01164	7.6
153.01930	30.1
161.02402	2.6
163.00325	2.3
165.01878	2.1
167.03450	2.9
169.01414	2.4
171.04457	1.4
174.03183	1.7
175.00374	9.1
175.03998	11.4
176.01129	2.5
177.01913	15.9
178.02151	1.2
178.99857	54.1
179.03453	1.6
181.01434	11.0
189.05486	3.2
191.03511	1.5
195.02855	2.7
198.39151	0.9
199.04004	8.3
200.59535	0.9
201.01895	1.7
205.01364	2.9
213.05511	2.2
216.04218	1.8
217.04996	5.4
241.05081	6.5
243.02991	1.8
256.03622	1.7
257.04541	2.8
259.06009	2.7
275.05606	13.1
284.03177	7.0
285.04050	87.7
286.04526	4.6
297.09695	1.3
299.05518	3.6
303.05081	100.0
304.05502	6.0
309.04065	1.5
312.69028	1.0
313.05603	2.7
323.07684	1.5
327.05032	3.7
341.05151	9.8
343.06589	1.6
447.09204	9.4
449.10837	51.3
450.10950	5.6
459.11127	2.0
461.13086	1.3
465.10547	4.9
487.11020	1.3
583.16418	4.1
593.14807	2.0
611.15839	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	611.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89874	0.7
60.99007	1.0
60.99304	16.6
61.98839	4.7
67.02926	0.7
86.00517	0.6
86.42418	0.6
88.98802	100.0
89.02441	1.9
89.99152	0.9
99.00877	0.7
114.18807	0.6
123.00912	1.2
125.02447	1.3
135.04523	1.0
137.02452	1.3
151.03972	0.8
161.29430	0.7
173.06136	1.1
177.05562	1.2
179.03505	0.9
190.02727	2.4
198.85220	0.8
201.05533	2.0
202.06337	1.4
218.05847	0.9
219.06607	4.3
219.08464	0.7
221.96915	0.7
227.07213	1.0
277.47003	0.8
279.76440	0.8
305.00204	0.7
375.27475	0.9
513.16199	2.7
514.16986	1.7
632.24274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.2
59.63873	2.1
61.87339	1.9
61.98831	100.0
65.00318	5.6
69.14085	2.4
71.01379	3.1
80.96497	4.7
83.01361	3.7
101.02440	2.9
107.01417	4.7
121.06628	2.5
123.04476	5.8
125.02412	8.6
135.04498	7.0
137.02412	2.3
138.06664	1.8
143.03830	2.4
145.02931	2.5
145.06590	3.6
149.02437	2.9
150.03238	7.7
151.00368	18.9
151.04012	11.0
161.02399	2.6
163.07660	3.4
165.01804	3.0
177.01906	4.8
178.99785	4.0
181.01445	2.5
187.07628	5.4
203.03481	2.6
205.08722	5.9
217.04962	3.6
217.23645	1.8
219.76387	1.9
223.13326	3.8
229.53596	2.7
231.06572	16.3
232.07234	6.1
259.05994	2.3
285.03836	9.9
303.05038	5.0
365.10318	27.7
383.11432	12.6
449.10931	25.0
450.11209	3.7
453.60101	2.2
529.17133	21.5
547.18219	12.9
610.25665	9.1
611.30536	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	611.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19893	0.9
57.03437	2.2
59.01363	3.5
60.99303	0.9
61.98827	14.4
67.01884	1.1
69.03450	1.5
69.32552	7.8
69.32954	1.8
71.01380	5.3
73.02901	0.9
79.01886	1.0
81.03444	1.3
83.01386	2.4
83.28182	1.1
85.02932	2.0
88.98804	8.1
93.03472	1.4
95.01398	1.5
96.95976	1.2
97.02923	1.5
99.87040	0.8
101.02441	3.1
103.05527	0.9
107.01388	10.0
109.02929	1.4
111.00883	1.6
113.02430	1.9
119.04987	1.1
121.02960	5.2
123.00903	9.5
123.04505	3.9
124.01640	1.8
125.02439	69.0
126.02748	2.1
127.00443	1.0
133.02959	1.7
135.04501	2.5
137.02438	2.5
139.00359	3.8
140.01112	1.5
141.01921	0.9
145.02979	1.7
147.04506	4.5
148.01732	0.8
149.02376	4.7
150.03145	1.3
151.00366	11.9
151.04002	3.2
152.01170	1.3
159.04532	1.0
161.02457	4.4
165.01926	1.3
167.03491	1.5
168.00630	3.8
169.01418	87.1
170.01813	1.2
173.06085	2.0
175.03993	2.8
177.01875	3.3
179.03433	1.5
186.44345	1.0
190.02699	3.1
191.03493	76.7
192.03865	2.3
201.05544	3.0
205.04970	2.1
211.02402	2.6
211.13484	0.9
215.06979	1.1
217.04968	2.4
218.05878	1.2
219.06607	3.0
241.03485	3.0
249.00735	1.0
253.03494	1.3
259.06021	2.0
285.04074	1.7
289.07303	1.2
297.07663	7.0
313.05646	72.2
313.63083	1.1
314.05969	3.0
384.57004	0.9
388.58377	0.9
447.09207	0.9
449.08902	1.8
505.10068	2.3
513.16107	2.2
553.22144	1.0
593.13177	1.6
611.14001	100.0
612.14252	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	610.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91393	1.0
57.03438	1.0
58.58297	1.0
59.01385	4.3
59.25822	1.1
60.17046	1.0
61.98830	100.0
63.99253	1.9
65.00324	3.8
71.01378	2.7
71.06929	2.6
77.34319	1.0
80.40194	1.1
80.59441	1.1
83.01382	2.0
89.02444	1.8
93.03447	1.5
93.42178	1.0
95.02384	1.0
95.05052	1.5
96.96018	1.5
98.53405	1.2
107.01350	5.3
109.02987	1.8
119.05029	3.4
121.02950	1.3
123.04520	6.3
124.01659	1.6
125.02451	18.1
135.04529	3.4
137.02422	2.9
137.06071	2.0
144.78679	1.2
149.02422	3.3
150.03244	9.0
151.00368	29.6
151.04018	13.3
152.01155	10.1
161.02422	1.5
161.06024	1.8
163.07565	1.6
165.01868	1.7
167.03456	2.6
175.04005	3.5
176.01009	1.5
177.01912	4.2
178.99887	2.6
179.03476	5.3
179.07111	4.3
188.54836	1.2
191.03542	1.2
205.05069	14.8
206.05569	1.2
207.02966	3.8
207.06596	10.5
208.07036	1.4
211.13496	1.3
222.09024	1.3
223.09824	1.9
233.04547	1.5
243.31070	1.2
249.07689	15.4
250.08353	4.5
273.07788	1.1
275.05545	1.8
277.07242	7.8
285.04025	12.9
289.07147	1.7
303.05307	1.3
339.08701	30.8
340.08994	3.2
383.11325	35.1
384.11697	3.7
400.11639	1.1
401.12311	14.3
402.12503	1.2
449.11008	4.1
529.16833	2.2
547.18225	80.3
548.18488	9.9
610.27118	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	610.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	4.1
60.99648	2.8
61.98831	100.0
65.00298	3.5
71.01371	5.7
71.51606	4.0
74.88285	2.7
80.96523	7.8
82.17270	2.9
83.01375	3.8
85.02974	4.7
87.79198	2.6
107.01371	4.4
121.02950	3.1
121.06579	3.0
123.04550	4.3
125.02453	12.8
133.05957	2.8
135.04526	6.2
137.02440	4.6
145.06598	3.2
149.02425	3.8
149.05910	3.1
150.03178	5.6
151.00378	21.9
151.04002	12.9
153.01929	3.1
159.04465	2.9
175.04005	3.1
177.01923	6.0
178.99857	4.5
181.01497	4.5
187.07622	3.5
192.31873	3.0
205.08647	9.5
217.05090	3.9
231.06570	14.8
232.07425	3.7
259.05994	4.8
268.84268	2.7
279.56100	2.9
285.04123	10.2
297.82565	2.9
303.05243	6.8
313.94785	2.5
365.10181	30.0
366.10513	3.6
383.11188	10.5
449.10864	28.4
529.16797	24.9
547.18188	15.3
610.25604	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	609.356
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88864	35.7
71.49689	56.6
78.95910	100.0
118.32246	39.3
134.30708	37.3
141.83904	35.2
145.32182	39.8
167.79974	34.5
244.55875	42.5
257.20459	35.7
315.34512	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
58.02965	6.1
61.98821	1.5
70.88244	3.5
74.02480	12.1
86.02467	5.2
87.05613	1.5
97.65360	1.2
99.05635	10.0
102.05595	2.0
123.05651	1.3
125.02448	16.2
128.03543	38.3
135.05650	1.7
135.84740	1.5
137.00656	6.0
137.02434	3.8
143.04630	53.1
146.04558	5.4
153.00133	4.7
153.40385	1.3
164.01137	2.4
165.00166	17.3
165.01814	2.4
166.09831	2.1
168.99542	1.4
179.04633	7.2
180.99649	3.7
184.10966	1.4
185.05746	1.5
191.01694	4.8
192.99637	31.2
197.05736	1.9
199.00745	3.3
210.08841	7.3
210.99524	1.3
218.00465	1.6
231.01279	1.3
233.02756	7.4
254.07860	17.6
255.08101	1.5
272.08881	100.0
273.09177	2.6
275.03845	12.0
279.13647	1.5
285.04065	2.9
319.02783	11.7
337.03882	2.4
355.69379	1.5
472.10352	3.7
610.13629	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	609.2679
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
50.06018	0.9
51.94990	1.1
59.01368	2.3
61.46294	1.2
61.98832	15.0
70.51202	1.0
77.09537	1.0
78.95903	52.8
93.02489	1.1
96.96949	9.0
125.02513	1.3
152.99585	58.5
154.03300	1.0
171.00658	1.6
195.13930	9.7
211.13362	2.2
223.00137	6.0
223.13333	4.4
241.01166	20.2
259.02246	2.9
275.20093	3.3
293.21198	35.7
294.21603	1.7
315.04919	9.4
609.26703	100.0
610.27185	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	609.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05549	0.9
59.01367	2.2
60.45456	0.9
61.25051	0.8
61.98830	73.6
69.24670	4.1
69.25098	4.5
71.01367	1.9
78.95904	59.3
84.59571	0.9
92.59695	0.9
96.96963	10.6
101.06010	0.8
104.45061	0.9
125.02409	2.3
137.02408	1.5
150.03154	1.2
152.99583	66.6
171.00636	1.9
183.13820	1.3
195.13893	6.6
205.12253	1.1
211.13385	4.4
221.01106	0.9
223.00113	7.0
223.13403	6.6
239.68680	1.0
241.01161	27.2
259.02167	2.3
275.20105	3.7
293.21210	43.2
294.21494	2.8
315.04852	11.2
333.05820	1.2
373.23795	2.2
391.24905	1.4
446.92752	1.4
609.26666	100.0
610.27063	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	609.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14342	0.6
59.01361	1.5
61.98829	11.2
62.13053	0.7
70.98579	1.4
71.01366	1.4
78.95905	64.7
96.96957	12.6
122.03746	0.6
125.02462	0.8
134.98540	0.7
150.98026	0.9
152.99585	45.8
153.99927	0.7
181.12120	0.6
195.13910	8.9
196.14491	1.1
211.13342	2.1
223.00145	1.2
223.13397	5.2
224.13791	0.9
241.01176	32.1
242.01382	0.8
259.02158	2.2
275.20062	2.4
292.19855	1.0
293.21219	28.7
294.21460	2.3
315.04886	6.6
328.95233	0.6
333.06143	0.6
373.23776	1.7
391.24615	0.9
412.33313	0.6
429.20422	8.4
430.20847	1.1
447.20959	0.6
502.57846	0.7
540.20294	0.6
609.26703	100.0
610.27002	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24269	0.4
59.01387	0.9
60.71767	0.4
61.98830	0.7
63.02396	1.0
65.00320	2.3
71.01385	0.8
83.01399	1.6
87.00884	2.1
93.03478	0.7
107.01384	3.7
108.02177	1.5
109.02975	2.5
121.02934	2.4
123.04493	0.5
125.02431	3.2
135.00883	1.2
137.02460	1.2
148.01689	1.2
149.02446	0.8
151.00363	15.4
159.04462	0.5
161.02541	0.7
162.36241	0.5
163.00383	2.9
164.01143	1.0
165.00217	0.6
165.01973	0.7
169.01450	1.5
172.65819	0.4
178.99855	6.7
187.03990	1.2
190.99954	0.5
192.99719	1.1
199.04031	1.1
201.05501	0.8
203.03546	0.9
211.03990	2.0
215.03511	0.8
216.04178	0.6
226.02800	1.4
227.03529	3.6
239.03633	0.5
243.02943	11.7
244.03407	1.6
245.04469	1.0
254.02202	2.0
255.02979	29.5
256.03372	2.2
271.02454	59.1
272.02896	4.9
273.03952	1.3
275.03830	0.5
283.02478	1.2
299.02014	1.6
300.02731	100.0
301.03473	51.3
301.06577	1.1
302.03940	1.7
305.90802	0.5
321.04407	1.1
341.13922	0.6
343.04593	1.3
359.75040	0.6
425.94501	0.5
443.23065	0.7
447.09219	10.4
448.09705	0.8
463.09329	0.7
491.19183	2.7
503.18875	1.3
547.32922	0.6
609.14453	96.3
610.14819	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	608.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
85.53065	0.2
98.20754	0.6
106.09904	0.3
271.55490	0.3
324.44244	0.2
445.79599	0.3
602.63336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70961	0.3
61.30104	0.3
61.98830	100.0
70.35127	0.3
82.80516	0.3
98.19875	0.9
108.10616	0.3
126.47671	0.3
232.00119	0.3
275.32056	0.3
458.57578	0.4
506.92264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.75475	1.4
69.75891	1.7
73.83710	0.5
75.76048	0.5
76.90927	0.6
77.39828	0.5
135.51472	0.5
145.68216	0.5
237.78349	0.5
242.07654	0.6
258.06992	0.6
274.83997	0.6
308.55179	0.6
501.61819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81842	0.5
53.02167	0.5
61.87580	0.5
61.98859	0.7
65.00338	2.0
65.11677	0.5
69.47212	1.7
69.47649	2.0
73.11949	0.5
83.01409	1.6
87.00859	0.9
93.03449	1.1
98.19910	1.1
107.01389	4.4
108.02204	1.7
109.02981	1.7
121.02942	3.0
125.02466	1.2
135.00917	0.6
137.02402	0.7
139.03954	0.5
148.01656	1.2
149.02475	1.0
151.00372	16.0
154.10745	0.6
163.00383	2.4
164.01146	0.9
165.01999	0.6
178.98433	0.8
178.99887	7.4
183.04443	0.9
187.03990	1.1
193.01448	0.7
199.04027	1.4
211.04071	1.1
216.04233	0.8
226.02711	1.7
227.03445	3.7
229.05086	0.8
243.02982	12.6
244.03261	0.8
245.04529	1.9
254.02234	2.9
255.02972	29.6
256.03427	2.3
271.02463	61.0
272.02899	5.7
273.04077	1.0
283.02362	1.2
299.01965	1.6
300.02737	98.1
301.03482	47.7
301.06372	0.9
302.03928	2.5
447.09174	9.5
491.19366	0.7
564.31049	0.7
609.14520	100.0
610.14868	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	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78876	0.3
60.00438	0.3
61.98829	100.0
72.83049	0.2
79.95071	0.3
82.21299	0.2
100.11404	0.3
112.52070	0.2
137.02441	0.4
165.01848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.38248	0.3
71.74198	0.2
73.84521	0.3
80.96502	0.3
85.70203	0.2
89.65585	0.2
89.87114	0.3
98.22826	0.3
102.05605	0.3
117.29054	0.3
119.87096	0.3
125.02427	0.7
128.03558	0.3
137.02422	0.4
146.04657	0.5
164.00929	0.3
165.01819	0.4
182.35754	0.3
203.34642	0.3
250.62102	0.2
268.01004	0.3
289.07214	0.3
468.21036	0.3
609.25903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.16942	1.7
69.17368	0.5
70.59292	0.2
78.95907	0.3
82.27219	0.2
87.85512	0.2
89.02464	0.3
103.88918	0.2
119.52161	0.2
122.78804	0.2
125.02454	0.3
180.06367	0.3
187.86415	0.2
318.64862	0.3
367.38794	0.3
391.24814	0.3
523.18671	0.4
574.43304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59175	0.5
59.01382	0.6
61.98830	100.0
66.27419	0.5
71.50678	0.8
78.91898	1.0
78.95890	0.7
122.09164	0.5
141.99779	0.5
216.49507	0.5
332.12531	0.5
480.91391	0.6
516.37421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01374	0.5
61.98828	100.0
65.00348	1.1
71.01384	0.6
71.51945	0.2
71.52332	0.4
76.95953	0.2
78.95900	0.4
81.03452	0.3
83.01402	0.5
85.11080	0.2
87.00940	0.2
88.98819	0.5
92.37889	0.3
99.34837	0.3
107.01409	0.5
119.05138	0.2
123.04539	0.9
125.02441	1.4
135.04532	0.3
137.02460	0.4
137.06059	0.6
150.03220	1.2
151.00388	2.0
151.03993	1.3
161.02478	0.6
161.06021	0.3
163.04012	0.6
165.01868	0.3
169.01231	0.3
175.03973	0.5
177.01994	0.6
178.99861	0.5
179.03511	0.3
179.07167	0.6
185.06172	0.3
185.11853	0.2
189.02193	0.2
190.02730	0.6
191.03552	0.4
203.07161	0.6
219.06572	0.4
221.08206	0.9
227.07269	0.4
231.06526	0.3
246.09108	0.3
247.06125	2.8
248.06871	0.8
255.02982	0.3
275.05737	0.9
276.06488	0.7
284.03387	0.4
285.20044	0.3
352.86340	0.3
371.11276	0.4
373.26147	0.4
381.09805	5.4
381.14395	0.4
382.10132	0.7
398.09500	0.4
399.10846	6.2
399.15915	0.5
400.11316	0.3
417.48029	0.3
467.62067	0.2
545.16644	4.9
546.17297	0.3
570.84583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01391	0.9
61.98830	100.0
65.00323	3.7
69.29646	2.6
69.30073	1.6
71.01385	0.9
73.02966	0.6
74.02501	0.4
74.10575	0.5
74.85760	0.4
78.95904	0.8
79.69685	0.5
82.96021	0.4
83.01392	1.3
85.02972	0.5
88.98824	0.4
98.19941	1.1
106.06659	0.5
107.01386	3.5
109.02937	0.8
113.02496	0.6
116.36435	0.4
117.25619	0.5
119.05071	1.4
120.49397	0.5
121.58134	0.4
122.94533	0.4
123.04528	1.7
124.01669	0.8
125.02436	6.2
126.90530	0.4
137.02481	1.6
139.00365	0.4
147.04608	0.5
150.03241	1.1
151.00363	19.1
151.01578	1.0
151.04010	1.5
152.01163	2.4
161.02429	0.5
161.04617	0.6
163.04039	1.7
165.01920	0.8
169.01457	0.8
175.04042	0.4
178.99857	4.5
179.07230	0.8
191.03494	1.1
202.09610	0.4
203.07182	1.9
215.07117	0.5
219.10309	0.6
220.32028	0.4
221.08298	0.6
229.08757	1.2
235.27490	0.6
245.07941	0.7
246.08929	2.9
247.06161	2.0
247.09663	1.5
248.07152	0.5
251.11427	1.6
263.59891	0.5
272.06912	0.5
273.07675	2.3
274.37381	0.5
275.05426	0.7
284.03314	0.8
289.07132	0.5
353.10248	0.7
361.65182	0.5
373.25833	1.1
381.09790	11.2
382.10147	0.6
393.15283	2.4
394.15836	0.5
395.32944	0.5
398.09729	0.5
399.10883	11.1
400.11206	0.6
419.13602	3.3
438.02637	0.5
545.16724	10.5
546.17200	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	608.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70360	1.2
57.03451	6.9
59.01373	2.2
61.98830	100.0
63.02406	2.0
65.00328	18.7
69.18502	12.8
69.87455	1.4
71.01384	1.5
75.00821	1.3
76.07148	1.3
79.47038	1.3
83.01376	9.2
85.95319	1.3
89.02395	1.2
95.46908	1.3
98.20751	2.7
101.02431	1.4
107.01377	20.7
109.02921	2.0
110.09544	1.2
123.04482	1.3
124.01669	3.6
125.02450	45.6
137.02431	4.7
139.08955	1.2
141.04575	1.3
146.03752	2.3
150.03188	2.5
151.00363	72.7
152.01140	9.5
153.01913	8.0
163.00372	1.4
165.01949	7.8
167.03468	2.2
169.01414	3.6
174.03188	6.2
175.03966	1.3
175.07640	5.7
178.99847	13.5
179.48268	1.3
181.01390	3.6
187.03964	2.3
187.07602	1.8
200.04742	5.5
202.06291	2.7
203.07130	15.7
215.03412	2.1
215.07115	7.2
216.65483	1.4
217.05182	1.4
227.07272	1.7
229.08730	11.2
243.02945	4.3
243.06512	1.5
244.03807	3.5
246.08875	3.4
247.09549	1.8
255.06602	6.1
272.06985	7.2
273.07690	28.0
284.03244	5.5
329.08954	1.8
337.10620	2.3
353.10208	1.8
363.08774	5.9
373.25705	1.8
381.09784	37.2
382.09671	1.8
393.15552	2.2
399.10831	37.8
400.11044	1.7
414.45139	1.7
419.13437	33.4
420.14096	2.3
527.15302	3.5
545.16516	29.9
546.17841	2.2
623.36993	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	608.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52038	0.2
59.01387	0.2
61.98831	100.0
65.00333	0.5
81.03468	0.2
86.56303	0.2
99.89955	0.2
107.01374	0.2
109.02903	0.4
123.04537	1.1
123.40179	0.2
124.01657	0.2
125.02457	0.6
126.85393	0.2
137.06129	0.2
142.62025	0.2
149.02438	0.4
150.03236	1.0
151.00420	0.7
151.03993	1.8
161.02359	0.3
161.06114	0.3
163.04036	0.5
174.03351	0.2
175.04100	0.4
177.01930	0.6
178.99983	0.4
179.07172	0.5
190.02763	0.5
191.03487	0.2
203.07213	0.6
205.05182	0.2
205.67397	0.2
219.06647	0.3
221.08212	0.8
247.06097	3.3
248.06842	0.7
251.11389	0.2
273.07550	0.2
275.05627	0.7
276.06357	0.9
284.03339	0.3
309.04175	0.2
371.11600	0.3
373.26160	0.3
381.09802	5.3
382.10550	0.3
398.10211	0.4
399.10831	6.5
400.11325	0.7
545.16699	4.5
546.17242	0.5
609.16357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98830	100.0
62.98541	0.1
71.51543	0.3
78.95879	0.2
80.96490	0.1
125.02460	0.2
135.49828	0.1
152.99634	0.2
285.90927	0.1
607.25183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17953	0.6
61.98830	100.0
67.24402	0.6
67.55460	0.7
69.43363	5.1
98.20670	1.4
133.41437	0.7
209.18491	0.7
239.73579	0.6
270.53995	0.6
387.54150	0.7
543.38971	1.3
572.86798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03442	1.1
58.00587	0.8
59.01379	15.1
61.98830	100.0
71.01380	12.1
71.51773	0.7
72.99311	1.3
73.02947	5.0
78.95923	2.1
83.01389	4.1
85.02948	4.7
87.00900	0.9
89.02460	4.5
95.01392	0.8
99.00922	1.1
99.04587	0.6
101.02449	9.5
103.04017	1.4
113.02447	4.2
119.03516	1.7
123.00906	0.8
123.04534	1.0
125.02438	3.8
137.02455	1.2
143.03517	1.1
151.00449	0.9
152.99603	0.7
161.04596	2.1
163.03996	0.9
163.06154	2.8
165.01913	1.5
166.27299	0.6
171.10213	0.6
178.99898	0.7
191.63660	0.6
197.12003	0.7
201.83723	0.6
205.07088	1.0
209.11891	1.4
211.64478	0.6
284.03287	2.3
288.86029	0.7
291.80307	0.6
305.59222	0.7
307.10483	1.0
371.22467	0.7
381.10107	0.8
383.67932	0.7
399.11038	1.3
401.25381	8.0
465.98932	0.7
534.28479	1.1
545.16711	0.8
547.31305	31.2
548.31757	3.1
607.31433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.2
59.01384	5.3
61.98828	100.0
65.00323	16.6
66.15472	1.2
67.69767	1.1
69.62629	7.2
71.01392	1.6
73.02966	1.0
83.01375	7.1
85.02915	1.6
88.98803	1.9
89.02438	1.3
89.56459	1.0
89.66191	1.2
107.01392	18.9
109.02962	2.2
123.04504	2.6
124.01656	3.1
125.02443	52.3
137.02483	2.6
146.03752	1.6
149.02495	1.4
150.03247	1.4
151.00362	81.6
151.04001	2.4
152.01149	9.0
153.01944	6.2
165.01904	7.1
167.03447	2.2
169.01399	2.7
172.05315	1.4
174.03206	6.0
175.04044	2.5
175.07664	5.3
177.01920	2.0
178.99860	14.0
181.01389	4.1
183.04466	1.3
186.06894	1.9
187.03975	3.1
187.07512	1.2
200.04868	5.0
200.08525	1.2
201.09122	1.5
202.06187	1.9
203.07123	16.2
204.07590	1.8
211.07539	1.2
215.03491	2.5
215.07062	7.3
216.07809	1.0
217.04993	1.5
217.08582	1.7
227.07266	1.8
229.08662	13.2
243.02913	4.1
243.06552	1.8
244.03659	3.2
244.07439	1.6
245.07986	1.3
246.08875	3.7
255.06566	4.9
257.04428	1.1
272.06815	7.0
273.07645	24.2
284.03253	2.7
295.09503	1.3
310.46396	1.0
337.10840	2.2
363.08749	6.4
365.64429	1.2
380.09094	1.3
381.09744	37.0
382.09958	2.2
393.15198	2.1
399.10800	40.4
400.11111	3.6
419.13422	34.5
420.13736	2.7
481.67599	1.3
527.15454	4.4
545.16656	29.2
546.17145	1.9
628.45557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.8
61.98822	67.5
69.19534	59.4
79.03125	5.2
97.03001	6.7
98.20609	9.5
161.04466	6.2
211.13231	6.3
214.26996	6.6
253.09288	32.6
291.19690	38.7
309.20691	100.0
605.35541	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	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50183	0.3
59.01361	0.5
61.98830	100.0
63.99266	0.3
71.03270	0.3
125.02493	0.4
125.87440	0.3
209.11981	0.4
311.32727	0.3
326.37820	0.3
330.82083	0.3
607.24841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.95898	0.3
87.59351	0.2
98.20633	0.5
118.43629	0.2
152.99634	0.2
174.91962	0.2
178.78757	0.2
196.81160	0.2
209.11853	0.2
216.86261	0.2
296.22473	0.2
356.53729	0.3
506.37128	0.2
607.33154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.3
61.44159	0.3
61.98830	100.0
64.32116	0.3
66.91575	0.2
67.50155	0.2
67.98611	0.3
69.16335	0.4
69.16740	2.3
69.45516	0.3
78.95896	0.6
85.12748	0.4
152.99509	0.3
258.39606	0.4
289.07419	0.5
467.94473	0.3
607.25012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82654	0.2
59.01379	0.4
61.98829	100.0
64.98907	0.2
71.01382	0.3
71.07220	0.4
78.95915	0.2
101.02457	0.2
106.10271	0.2
123.04490	0.2
125.02428	0.4
137.02454	0.2
149.02304	0.2
150.03287	0.2
151.04047	0.3
161.02446	0.2
175.05598	0.2
189.01991	0.7
219.06744	0.2
245.04593	0.4
246.05385	0.7
247.06139	0.2
273.04071	0.2
322.04886	0.3
333.38177	0.2
360.17032	0.2
373.04230	0.2
379.08139	1.5
397.09412	1.2
543.15271	0.5
546.30096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27280	0.9
57.02295	1.0
57.43879	0.9
59.01373	2.0
61.98829	14.7
70.83425	2.0
71.01378	3.7
78.95904	2.3
82.21886	0.9
83.01373	1.5
85.02951	2.0
95.01393	1.1
96.96007	2.1
101.02415	1.4
107.01381	2.0
109.02957	1.3
111.00848	1.8
113.02421	1.5
122.17731	1.1
123.00891	9.6
123.04539	1.5
124.01646	2.0
125.02433	14.5
137.02452	2.1
139.00371	5.8
140.01152	2.8
141.25114	1.2
150.03204	1.2
151.00375	7.8
151.03993	1.2
152.99518	1.3
155.10788	1.3
165.01901	1.2
168.00662	4.8
169.01437	15.5
170.01714	1.3
172.39012	1.0
204.04448	1.0
211.02423	1.8
214.04797	2.4
269.04568	2.0
289.07272	1.7
313.05634	1.8
332.06927	1.3
341.06647	1.2
393.65298	1.0
433.81482	1.0
465.06592	1.7
513.14160	1.1
541.22888	100.0
542.23193	9.9
604.20099	4.8
605.11865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.78090	0.5
61.98819	0.5
70.35249	1.3
78.59450	0.4
231.38089	0.4
394.11551	0.6
415.15579	0.9
416.16449	1.0
428.16470	0.5
429.17249	1.1
430.17871	1.3
431.82245	0.4
443.19302	0.5
457.20319	1.6
459.17798	3.0
461.23346	0.9
471.18201	2.0
472.19144	1.1
473.19830	4.8
474.20334	0.8
485.19626	1.9
485.24713	0.6
486.21133	3.9
487.21310	1.2
490.15521	0.6
499.17792	3.1
501.23904	2.6
502.20575	0.7
511.21213	2.1
512.21771	0.6
513.19281	3.0
514.20074	9.3
515.20361	1.0
517.18713	0.6
518.19604	1.5
528.21631	0.6
529.22437	100.0
530.22717	12.7
532.21088	1.6
533.21619	2.0
561.24982	1.3
573.21356	0.8
593.47162	0.5
605.23962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97707	4.6
57.88532	4.5
59.01375	38.0
61.98824	19.3
61.99133	4.5
62.02983	3.8
71.01361	9.7
97.02955	4.4
101.02432	11.1
112.85571	3.6
121.97620	4.3
123.04559	8.1
125.09685	7.6
135.84444	4.6
137.09686	4.4
149.70163	4.4
161.04489	6.1
163.11368	6.5
171.10272	19.2
172.10565	5.6
173.10870	4.1
185.11826	12.7
191.14357	5.9
209.11861	33.9
211.13409	16.0
212.13850	5.8
225.11499	5.6
245.19102	12.2
253.09288	39.5
289.18066	100.0
290.18390	5.4
307.19150	91.2
308.19510	6.7
417.59363	4.6
457.67807	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30683	3.3
57.03440	3.4
59.01378	46.4
61.98826	39.1
68.99567	7.7
71.01373	13.9
71.40288	4.5
73.62511	3.8
83.01385	3.7
83.38599	2.9
88.98801	8.7
89.02444	12.8
97.02940	4.6
97.06570	5.8
101.02433	17.9
112.98571	6.9
113.02465	7.2
123.04549	5.4
125.09721	9.4
136.03371	3.1
137.09641	3.0
138.40781	2.9
149.38760	3.0
151.11266	11.7
155.03484	3.1
157.08742	3.4
158.49455	3.1
161.04562	6.4
163.11290	7.1
169.12332	74.8
169.13692	5.9
171.10271	63.3
183.13922	3.6
185.11792	7.7
191.14484	8.4
195.10303	4.4
209.11797	19.3
211.13387	6.6
212.13820	3.8
213.11305	6.2
245.19069	14.5
253.09273	35.6
263.11374	4.1
289.07199	4.4
289.18079	100.0
290.18448	3.6
307.19150	77.1
308.19391	4.0
333.65759	3.2
431.18491	3.6
449.20145	8.1
603.30145	89.1
604.30426	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	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
61.98831	29.0
71.01375	2.4
73.02936	1.9
79.01922	1.0
80.91708	1.0
82.06179	1.0
83.01372	1.2
85.02909	1.7
93.03451	1.2
93.07767	1.1
96.96014	15.9
96.96986	2.1
97.02914	1.3
101.02450	1.9
107.01404	3.3
108.02187	1.1
109.02969	1.7
111.00889	1.9
113.02498	1.0
121.02929	3.6
122.03786	2.7
123.00888	9.6
124.01627	1.0
125.02451	16.3
134.03612	1.0
137.02452	2.2
139.00380	2.9
140.01180	2.2
141.01920	1.1
145.01381	1.4
149.02415	8.7
150.03223	21.2
151.00343	9.1
151.03882	1.4
153.01889	1.7
164.04753	1.6
165.01947	3.4
165.05560	21.4
166.06332	11.7
168.00659	2.7
169.01422	18.9
176.04863	1.0
179.03493	2.4
180.04207	3.2
181.08728	7.0
187.09656	1.4
194.05872	2.1
195.06599	17.4
198.83449	1.2
209.08226	2.1
211.02440	3.1
225.07759	1.5
225.53169	1.2
269.04642	2.9
270.04800	2.2
271.04694	3.7
289.07117	1.1
329.10245	1.8
344.12451	3.6
359.14847	8.4
373.12869	11.1
404.09857	1.1
407.17206	1.4
524.07867	1.2
539.21283	100.0
540.21509	8.9
555.22638	2.7
602.12524	4.7
602.22351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.62561	1.3
70.71890	3.0
70.72222	1.9
78.95945	1.5
121.16135	1.6
152.75185	1.5
154.79872	1.7
171.10260	3.1
218.90047	1.6
231.99068	1.6
277.94098	1.6
323.35257	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	602.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06994	1.5
61.98832	100.0
80.91082	1.6
87.21738	1.4
98.20664	2.7
132.27718	1.2
171.10252	6.8
281.24817	5.7
329.35358	1.4
476.69949	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	603.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.0
59.01403	1.6
61.98832	8.2
67.90774	0.6
70.38429	1.6
70.38789	1.1
71.01405	2.4
73.51909	0.6
78.95916	0.8
81.03479	1.6
83.01421	2.7
85.02947	0.7
93.03478	1.5
95.01417	1.6
95.05053	2.3
96.96014	1.0
97.02953	4.8
101.02489	1.4
102.64984	0.7
103.96571	0.7
107.01387	3.7
107.96844	0.6
108.02191	1.2
109.02952	15.8
109.42652	0.7
109.51077	0.7
111.00900	1.5
121.02961	13.7
123.00892	3.5
123.04506	8.7
123.05264	0.8
124.01689	1.1
125.02448	39.4
127.04033	0.7
133.02966	1.0
135.04552	2.5
137.02448	21.4
138.03253	0.8
139.00418	1.3
139.04057	2.6
140.01218	0.9
145.02994	1.5
146.03751	1.3
149.02422	5.5
149.99713	0.8
150.03232	1.9
151.00381	2.3
151.04013	7.4
152.01196	1.1
159.04527	2.4
160.05283	0.8
161.02400	5.1
161.06023	3.7
162.03198	1.5
163.04048	1.5
164.01193	3.7
165.01889	5.0
167.03453	3.3
168.00566	4.3
169.01418	32.1
170.01747	0.8
173.06136	0.7
175.04024	2.9
175.07660	1.2
178.49908	0.7
179.03496	4.8
185.06068	0.8
187.03990	4.1
188.04819	3.0
193.01433	1.1
199.07613	1.0
201.05623	1.4
202.06372	1.9
203.03593	1.1
203.07127	13.1
205.05031	8.3
209.04570	9.2
211.02411	5.2
212.04720	0.9
221.08208	2.3
227.07176	2.1
229.04823	1.0
230.05551	0.7
241.03476	1.0
245.08171	18.2
246.08650	0.9
247.06107	1.0
253.05156	0.9
271.04440	2.5
271.06235	2.7
289.07175	100.0
290.07547	5.3
297.03714	1.0
299.05624	1.2
303.05182	0.7
313.05624	31.5
331.07233	0.8
393.17719	2.5
433.08936	1.4
439.08575	1.3
441.08289	1.8
451.09183	15.9
452.09579	1.0
481.09161	0.7
547.38031	0.6
603.13275	35.2
604.13837	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	601.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47389	0.4
57.03447	4.2
58.15711	0.4
61.98824	1.5
63.33788	0.4
69.03468	0.6
80.02674	0.6
83.05005	0.8
95.05032	0.7
96.08567	0.5
97.06588	13.7
104.60107	0.5
123.08159	6.5
125.09722	100.0
126.10076	2.7
143.10788	2.0
169.08704	3.2
171.10289	5.7
187.09750	73.5
188.10088	2.2
211.13385	5.4
225.11304	1.8
243.12308	2.3
261.13412	11.2
262.13855	0.5
370.03122	0.5
387.62665	0.4
413.21649	0.9
431.22815	25.9
432.23129	2.2
458.93158	0.5
583.30914	1.4
601.32269	69.4
602.32684	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	602.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
59.01366	4.5
61.98827	53.8
63.99262	2.4
64.40519	1.1
67.65680	1.1
69.03471	2.0
69.31267	8.8
81.03446	3.0
83.01402	2.7
88.98798	1.3
89.02458	1.2
95.05001	1.9
96.95989	1.7
97.02952	3.9
107.01378	3.3
109.02958	12.2
111.00894	1.6
121.02958	2.5
123.00880	1.2
123.04538	9.6
125.02444	75.6
126.02772	2.2
136.94424	1.1
137.02463	8.7
139.00380	1.1
139.03975	1.4
140.01173	1.6
145.02957	4.2
149.02449	4.0
150.03142	1.8
151.00360	1.6
151.03990	7.2
159.04492	2.0
161.02402	1.5
161.06088	4.7
162.03125	1.2
164.01138	2.6
165.01904	3.6
166.99898	1.7
167.03455	1.6
168.00636	1.8
169.01416	100.0
170.01752	2.7
171.10231	2.3
175.04070	1.3
179.03458	4.9
179.07076	2.8
185.06049	2.6
187.03990	2.5
188.04758	3.2
191.07109	3.2
193.01387	5.0
203.07150	10.4
205.05077	7.7
223.09605	2.3
227.07024	2.5
235.09709	3.4
245.08153	13.0
271.06119	4.5
285.03909	1.4
289.07175	37.9
290.07642	3.1
299.12863	1.4
303.05173	3.5
314.95328	1.2
325.10742	1.6
343.11966	5.9
369.13199	8.0
387.14484	62.1
388.14771	6.2
441.08273	5.3
442.39792	1.3
488.61139	1.3
491.22385	1.3
539.15631	33.4
540.15820	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	601.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
61.70855	0.5
61.98829	10.4
71.01369	1.0
71.52223	0.9
75.82939	0.4
78.84901	0.4
81.03458	1.7
83.01377	2.4
89.96160	0.4
93.03445	1.6
95.01379	0.9
95.05026	2.3
96.96008	1.3
97.02946	4.6
101.02404	0.7
107.01369	1.1
108.02179	0.9
109.02945	17.4
111.04505	0.5
114.80984	0.5
117.03469	0.5
121.02969	2.7
122.03713	1.0
123.04529	10.9
125.02440	14.1
133.02940	0.8
135.04478	1.5
137.02434	10.4
137.03395	0.9
139.03973	2.8
145.02974	1.2
146.03703	0.6
147.04480	0.6
149.02469	5.5
150.03249	2.3
151.00386	1.5
151.03996	6.1
152.01099	0.9
153.01877	0.5
157.06491	0.5
159.04523	1.9
160.05235	1.6
161.02403	2.3
161.06079	3.7
162.03227	1.5
163.04024	1.8
164.01152	2.3
165.01892	2.5
165.05612	2.3
166.02696	0.6
167.03484	2.7
169.01382	1.7
173.05971	0.6
175.04005	1.9
175.07635	1.6
177.05482	0.6
179.03493	4.6
184.05142	0.6
185.06032	0.9
187.03967	4.0
188.04828	2.7
189.01909	0.7
193.04973	0.7
195.06621	1.5
201.05563	0.8
202.06363	1.9
203.03511	1.3
203.07129	10.4
204.07483	0.6
205.05040	5.9
209.06157	0.5
212.04773	0.9
221.08125	2.1
227.07080	1.9
230.05736	0.7
231.02992	0.6
245.08156	14.0
246.08534	0.6
247.06108	1.4
267.07162	0.6
271.06000	1.5
272.06573	0.5
280.82919	0.6
285.03967	0.7
286.04382	0.9
289.07169	100.0
290.07559	5.6
311.07770	1.1
313.06876	1.6
330.10910	0.7
345.13361	1.1
449.11282	0.7
565.15839	0.7
601.10852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1199
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
57.03448	8.9
59.01391	0.9
61.98835	11.4
63.02392	1.3
65.00318	10.6
67.01913	0.7
68.99825	1.2
69.01851	0.7
71.01379	1.1
76.18085	0.7
81.03481	1.1
83.01389	8.4
85.02982	1.0
89.02380	0.9
93.03454	1.2
95.01396	1.7
96.96016	1.0
107.01383	11.3
108.02225	1.1
109.02943	5.0
109.71124	0.7
111.00893	1.0
119.05091	0.7
119.84026	0.7
121.02962	2.6
123.00908	4.1
123.04517	7.8
124.01661	3.9
125.02445	100.0
126.02756	2.3
133.02946	1.8
135.04523	3.6
137.02432	3.5
138.03270	0.7
139.00410	1.9
139.04007	1.7
140.01172	1.3
141.11089	0.6
143.05017	1.1
145.04956	0.7
147.04553	1.3
149.02429	6.8
150.03233	8.1
151.00363	31.4
151.04007	13.3
152.01170	8.5
153.01939	11.4
161.02400	1.9
161.06088	1.2
163.04015	1.5
165.01897	2.1
165.05574	2.0
166.02708	4.5
167.03557	0.7
168.00655	2.3
169.01411	23.0
170.01851	0.8
171.04451	1.7
172.05260	1.1
173.06026	1.4
174.03261	3.4
175.04004	20.9
176.01199	0.9
177.01926	26.9
177.05412	0.8
178.02319	1.2
178.99850	16.3
179.03487	1.5
180.00273	0.8
181.01433	2.4
181.05080	2.8
185.06021	0.9
187.03964	0.7
188.04797	2.0
189.05556	5.6
191.03519	1.1
193.01381	3.7
193.05057	2.6
195.06689	1.0
197.06093	1.1
198.03177	1.1
199.04001	12.9
201.01959	3.2
205.05170	0.7
211.02332	1.0
211.04187	1.0
211.06099	2.0
213.05525	2.4
215.03542	1.3
216.04306	2.4
217.05031	13.6
219.03044	1.9
231.06633	2.0
241.05087	10.0
243.02927	2.8
247.87036	0.7
257.04489	2.2
259.06055	7.8
267.02930	0.7
269.04550	4.7
275.05576	5.3
285.04031	90.1
286.04480	5.2
297.06155	6.8
303.05090	84.7
304.05426	4.2
315.07159	7.9
316.07678	0.8
327.06812	0.8
353.99789	0.8
354.12787	0.8
449.10867	15.2
450.11032	1.2
475.08755	3.1
553.20746	0.8
557.16327	0.8
565.23755	1.0
583.11261	1.2
601.11963	45.5
601.27673	2.1
602.12189	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	601.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.1
61.98824	2.9
63.02408	0.8
65.00327	3.8
69.39395	3.6
71.01389	0.4
75.51271	0.4
81.03476	0.7
83.01382	4.7
89.34515	0.4
93.03474	0.8
95.01386	0.6
97.52800	0.4
98.20600	0.6
105.03462	0.8
107.01399	4.5
108.02154	0.9
109.02972	3.1
111.00880	1.1
116.92866	1.2
119.05009	0.5
121.02988	2.1
122.03716	0.6
123.00877	1.0
123.04527	5.7
124.01659	2.0
125.02444	96.0
126.02813	2.3
133.02879	0.5
135.04532	1.1
137.02487	2.1
137.03403	0.4
139.00302	0.6
139.04021	1.1
143.04955	0.4
147.04501	2.1
149.02444	5.2
150.03215	5.6
151.00375	13.9
151.03998	9.6
152.01149	6.5
153.01941	9.8
159.04485	1.1
161.02444	1.4
161.06078	0.9
165.01938	0.4
165.04344	0.5
165.05484	2.4
169.01453	2.3
171.04469	1.2
172.05302	0.6
173.06084	0.8
174.03207	3.6
175.03990	20.7
176.04364	1.0
177.01933	24.6
178.02367	0.6
178.98268	0.5
178.99855	10.2
181.01427	3.0
181.05089	0.7
185.06084	0.7
187.03987	0.9
187.07550	0.4
188.04770	1.9
189.05556	5.8
191.03479	0.9
193.05051	1.9
195.06621	1.9
197.06102	1.1
198.03192	0.5
199.04007	9.8
201.01947	2.6
203.07056	0.6
213.05606	2.6
215.03455	0.9
215.06902	0.5
216.04269	1.7
217.05038	11.3
218.05438	1.1
219.03036	0.9
229.05119	0.6
231.06587	1.2
235.06235	0.5
241.05035	9.9
243.02977	1.7
257.04547	1.4
259.06076	4.1
269.04523	0.5
275.05618	5.7
280.87402	0.4
285.04044	78.1
286.04379	5.6
297.06296	0.5
303.05084	100.0
304.05450	6.0
315.07169	2.0
407.07663	1.3
449.10596	1.0
601.11981	7.4
602.11938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.2
57.54876	0.8
59.01383	5.8
61.98827	13.6
62.96441	0.9
64.52010	0.7
65.00312	4.0
69.07290	0.8
70.66750	2.2
71.01043	0.8
71.01372	4.6
77.37199	0.9
81.03453	1.0
83.01385	6.7
85.02965	0.8
88.98847	1.0
89.02460	4.6
93.03510	1.3
95.01363	1.3
96.96017	1.4
97.00064	0.9
101.02444	3.0
105.03467	1.0
107.01400	4.8
108.02137	1.6
109.02940	5.3
113.02431	2.2
116.92856	1.2
119.03526	1.7
119.82324	0.9
121.02940	2.5
121.33807	0.9
123.00862	1.9
123.04525	6.9
124.01653	3.2
125.02442	100.0
126.02769	1.3
130.94812	0.9
135.04509	1.6
137.02472	4.7
137.90724	1.0
139.04008	1.6
145.01416	0.9
147.04536	1.1
149.02449	6.8
150.03215	3.6
151.00375	15.6
151.03993	8.4
152.01169	8.0
153.01958	11.6
161.02408	1.7
161.06076	1.1
163.00346	0.9
163.03960	0.9
165.05563	1.2
167.03520	3.1
169.01427	12.9
171.04546	1.9
174.03188	3.6
175.03992	18.8
177.01917	22.3
178.99850	12.8
179.03392	0.8
179.07063	1.5
181.01357	2.1
188.04784	2.7
189.05553	4.6
191.03693	0.9
193.01395	1.3
193.05005	1.3
199.04005	11.1
201.01945	2.8
213.05534	1.9
215.03644	1.4
216.04173	1.9
217.05048	11.9
219.02887	1.0
231.06683	2.1
241.05026	8.1
243.03011	1.7
245.08142	1.2
257.04526	2.1
259.06152	5.5
261.01782	0.9
275.05460	5.5
285.04028	86.8
286.04379	6.5
289.07080	4.5
303.05078	99.8
304.05396	6.3
315.07083	1.3
327.21973	1.5
366.94604	1.0
369.13376	1.7
387.14319	6.5
433.07651	2.1
449.10916	2.5
517.45624	0.9
539.15491	3.4
545.00934	0.8
601.11731	8.7
601.26868	2.1
602.12146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15251	1.9
54.80781	2.0
55.14444	1.8
55.99057	1.9
61.98830	100.0
70.96353	2.0
84.80808	2.3
88.98974	2.0
104.07616	2.0
142.69888	2.0
164.13615	1.9
415.31317	2.3
516.50427	2.1
535.90411	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	600.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45826	0.1
58.12734	0.1
61.98828	100.0
69.28038	0.3
69.28434	0.8
80.88697	0.1
85.05782	0.1
86.16795	0.1
87.94029	0.1
93.24330	0.1
96.35966	0.2
109.80345	0.1
116.70138	0.1
123.00890	0.1
132.48218	0.2
137.79639	0.1
169.01639	0.1
192.88284	0.1
376.87015	0.1
429.10690	0.5
536.55432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.98830	100.0
65.00322	0.5
69.35201	0.3
71.01385	0.9
71.28834	0.4
89.02480	0.8
91.01900	2.8
107.01403	0.8
108.02171	3.0
108.87743	0.3
109.02981	1.1
123.00894	0.9
125.02438	1.0
127.45294	0.4
135.00903	2.8
137.02431	0.5
151.00378	1.5
152.01164	4.2
153.01926	1.5
169.01416	0.4
171.10252	1.5
177.01981	0.6
197.06116	0.4
209.11900	1.2
210.12241	0.4
242.06128	0.4
243.06602	23.9
244.06984	0.9
257.86014	0.3
280.90546	0.3
285.04120	0.6
286.04514	0.7
287.05801	0.5
301.03488	0.3
405.11844	2.0
537.16113	23.4
538.16400	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	599.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.1
61.98830	11.4
65.60353	0.9
71.01382	5.5
71.51457	1.4
73.02938	1.4
75.22313	0.8
78.95906	2.1
80.02669	1.0
83.05018	4.9
85.02941	1.9
88.25411	0.9
89.02438	2.5
89.39795	0.9
95.05021	1.5
96.96017	6.1
97.06562	1.1
101.02426	2.5
101.10937	0.9
104.12186	1.0
105.73766	1.0
109.02975	1.0
113.02394	2.2
125.02434	1.9
125.09725	1.2
127.11275	1.2
137.02428	3.7
150.03204	3.3
161.04514	1.5
163.11255	2.9
165.01909	2.1
165.12790	1.2
171.10265	100.0
172.10498	1.9
183.13872	2.1
191.10748	1.4
209.11823	85.4
210.12148	3.4
213.14943	3.7
226.48773	1.0
235.08264	2.7
253.09248	6.9
268.46478	1.0
287.05698	1.6
301.21979	1.0
307.17587	3.0
345.20581	3.0
363.21756	3.9
400.92459	1.2
412.77972	0.9
450.08368	0.9
450.71109	1.3
581.29828	6.0
599.29846	3.4
600.29126	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	599.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01371	3.7
61.98827	20.6
65.00306	4.2
71.01380	1.8
71.60673	0.8
72.99307	1.9
74.16829	0.8
80.05260	0.8
83.01373	2.0
84.52615	0.9
88.04056	2.1
88.98806	2.1
89.02431	1.1
96.96037	1.4
101.02428	1.3
107.01398	4.2
109.02944	3.6
109.51807	0.8
123.00832	1.0
123.04495	3.3
125.02441	8.4
128.88985	0.8
132.03035	10.2
133.02965	1.5
137.02448	3.5
150.03220	1.8
151.00374	19.4
151.04004	3.2
152.01074	1.6
160.01648	2.7
163.04010	1.0
165.46199	0.8
167.03410	1.8
169.01385	1.2
171.10245	15.3
175.03946	1.2
177.01897	1.6
178.99915	4.2
199.04131	1.0
209.11823	14.8
210.12108	1.0
235.08093	0.8
241.04854	1.4
242.09442	3.2
245.08141	1.2
246.08968	0.9
253.09081	1.5
256.73193	0.8
257.11786	2.8
258.09042	1.3
267.06567	1.2
270.08920	8.2
271.06107	2.4
281.07971	0.9
282.08951	2.0
283.09763	0.9
284.03549	0.9
284.06915	3.0
285.04099	8.9
285.11313	10.6
286.04510	1.1
286.08389	3.5
289.07059	2.5
295.09708	0.9
298.08377	5.0
299.09219	8.8
301.03589	1.4
301.10809	3.6
303.05167	1.1
309.07449	1.1
310.08591	1.9
311.09198	2.3
313.10812	4.4
314.07971	9.2
324.10239	1.2
325.10721	5.1
326.07895	3.0
326.11444	1.8
327.22070	1.0
329.10297	28.8
330.10474	1.8
339.12219	1.2
340.13101	1.9
341.10281	30.9
342.10641	2.6
344.12619	38.3
345.12955	3.1
356.12589	14.0
357.12820	1.0
359.14987	100.0
360.15256	8.1
369.13443	1.7
371.14984	67.6
372.15518	5.7
467.20563	2.8
569.23627	1.1
599.24371	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	599.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92914	0.5
57.03437	2.1
58.76724	0.5
59.01377	1.9
59.89910	0.5
61.98829	21.6
63.02398	1.7
65.00323	19.6
68.07620	0.5
69.37729	4.2
71.01364	0.8
81.03436	0.6
83.01385	8.1
85.02961	0.6
93.03468	0.7
95.05036	0.5
96.80318	0.6
107.01388	25.0
108.02206	0.8
109.02954	1.9
119.05009	1.0
121.02988	0.9
122.03744	1.5
123.00857	1.5
123.04524	8.9
124.01657	2.5
125.02451	17.8
132.03072	1.1
133.02937	4.1
135.04564	3.0
135.79047	0.5
137.02434	0.9
139.00334	0.7
143.04903	0.6
145.02924	0.6
147.04501	0.6
149.02475	3.2
150.03221	6.3
151.00366	100.0
151.03975	12.4
152.01151	10.0
153.01878	1.8
163.04056	0.7
165.01949	0.7
165.05547	1.9
166.02757	0.7
167.03531	4.0
169.01436	2.1
171.04510	0.8
171.10280	7.2
173.06046	0.9
174.03203	0.9
175.03976	3.5
177.01917	3.0
178.99857	20.6
181.05002	0.8
185.06059	0.9
187.03999	0.8
189.05582	1.2
197.06097	0.8
199.04007	3.8
201.01764	0.9
209.04562	0.8
209.11830	5.4
213.05536	1.1
217.05046	2.0
238.63147	0.6
241.05048	3.0
243.02975	0.8
256.03897	0.7
257.04559	1.4
259.06168	2.5
267.02939	0.8
285.04037	57.7
286.04486	3.2
287.05722	3.0
289.07211	0.7
295.08353	0.8
297.09787	0.7
301.03497	1.3
302.04337	2.3
303.05020	6.5
309.04077	1.5
447.12930	6.3
473.10962	1.9
510.76950	0.6
581.12610	1.1
599.14001	6.9
599.22876	1.0
600.14441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01380	6.6
61.35519	0.6
61.74709	0.6
61.98836	6.8
65.00347	0.6
70.70547	1.4
70.70899	0.9
71.01373	7.1
73.02960	1.3
75.00858	1.3
83.01372	1.2
83.05009	1.5
84.20860	0.7
85.02965	7.2
88.98837	0.7
89.02425	2.2
93.03470	0.8
95.01364	1.0
95.05023	14.0
96.95999	1.4
97.02938	1.2
98.00121	1.2
99.00879	4.6
101.02421	2.0
107.01417	1.0
111.04501	5.0
113.02452	2.5
113.06087	25.5
114.06384	0.9
121.02943	1.9
122.03706	0.9
123.00874	1.3
123.04486	0.8
125.02449	5.5
127.04012	1.4
129.01962	1.1
129.05600	3.5
133.02989	1.0
137.02429	3.0
139.04027	7.5
140.01147	0.7
141.01912	1.8
141.17723	0.7
149.02478	3.5
150.03230	6.0
151.00325	2.0
151.04005	1.2
155.03484	0.7
157.05075	4.3
165.01939	0.8
165.05556	5.1
169.01418	5.4
173.04494	7.0
175.03960	0.9
183.02986	7.5
191.05534	0.9
195.06569	2.6
199.03973	0.7
201.04033	43.9
202.04393	0.8
241.08542	0.8
271.06140	0.9
283.05875	1.1
284.03174	0.9
285.04037	16.6
286.08426	1.1
301.10809	0.9
313.05548	4.5
447.09262	3.7
467.72552	0.8
479.16843	2.9
509.16470	1.2
541.30695	0.8
582.92621	0.8
599.10669	7.8
599.19678	100.0
600.11078	1.2
600.19989	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	598.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89186	2.3
57.46642	2.4
58.02973	11.1
59.01373	5.6
61.98833	29.2
64.40271	1.9
70.18533	2.2
71.01375	7.3
71.52248	3.5
72.97524	3.0
74.02472	26.7
82.02997	2.5
83.05003	4.6
85.02970	3.6
86.02469	8.8
86.06136	3.2
87.05645	2.9
89.02457	3.6
96.37511	2.4
97.04065	3.0
99.05636	23.8
100.00390	2.7
101.02459	2.8
101.07214	4.3
102.05573	4.4
109.04080	3.3
111.05592	2.3
112.03976	2.8
123.05639	2.3
125.03547	4.2
127.05151	4.2
128.03542	73.1
135.05634	5.8
135.08183	2.7
135.41814	2.0
137.02451	3.5
143.04617	88.6
145.06207	3.4
146.04585	12.7
153.06700	3.9
165.01926	2.1
166.66537	2.2
167.04628	4.2
167.08264	4.5
170.64279	2.1
171.10265	100.0
179.04655	24.5
185.05765	3.5
197.05795	3.7
209.11818	70.2
210.08836	20.0
235.08188	3.3
250.22328	2.3
253.09258	3.5
254.07845	51.3
254.80829	2.3
272.08887	97.2
273.09232	6.1
325.18542	3.4
345.20642	4.6
363.21600	6.4
443.17578	2.9
580.26837	3.5
581.29907	3.8
598.27802	35.3
599.29248	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	599.1043
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
55.08657	0.2
61.98831	8.2
63.02398	2.0
65.00316	4.0
69.24292	1.2
69.24715	1.0
71.01382	0.3
83.01393	2.2
88.98835	0.3
91.01905	0.5
93.03459	1.5
94.92728	0.2
95.67017	0.2
101.19920	0.2
107.01389	8.0
108.02192	0.5
109.02966	3.7
115.73808	0.2
119.01395	0.5
121.02946	7.9
123.00898	0.5
124.21050	0.2
125.02426	1.1
128.82301	0.2
135.00900	0.3
137.02504	0.3
139.04008	0.6
149.02422	1.1
151.00363	30.1
152.00789	0.7
157.06718	0.2
159.04532	0.8
161.02458	0.5
163.00369	3.2
163.03989	0.3
164.01155	0.4
165.01909	0.3
167.04947	0.3
169.01385	0.9
169.02782	0.4
170.88361	0.3
171.04506	0.2
173.05989	0.4
174.03029	0.2
175.04001	0.6
178.99855	14.5
180.00183	0.4
183.04498	0.6
185.06099	0.3
187.03964	0.6
190.73398	0.2
192.00583	0.4
193.01428	0.5
199.04004	0.3
201.05524	1.0
203.03450	0.5
205.05066	0.3
211.03999	1.8
212.04550	0.2
213.01915	0.3
227.03464	1.4
229.05014	1.7
231.03174	0.2
236.20859	0.2
239.03537	0.5
243.03050	0.5
245.04579	2.4
255.02942	3.5
256.03577	0.5
257.04489	0.7
271.02322	0.4
272.03052	0.3
273.04028	2.3
283.02472	1.9
284.03024	0.4
299.01895	0.3
300.02737	0.6
301.03510	100.0
302.03870	5.1
346.92700	0.3
387.87915	0.3
402.69434	0.2
447.09167	0.4
598.25665	0.4
598.95477	0.3
599.10480	6.3
599.20526	0.4
599.25385	0.6
600.10773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
57.07365	0.9
58.88944	1.0
59.01363	2.7
59.48050	1.1
61.98828	21.4
62.41964	1.0
63.02384	1.8
65.00322	7.7
69.34954	3.3
69.35377	4.8
71.01372	2.7
75.00864	1.8
81.03453	6.9
83.01383	6.9
83.05034	10.6
84.05372	2.0
85.02917	1.3
93.03452	3.7
95.01349	1.4
96.95990	3.2
97.02938	2.6
98.20609	2.2
100.07668	1.7
107.00700	1.4
107.01382	12.8
108.02187	2.1
109.02952	5.5
111.00867	1.2
113.02428	1.6
117.03439	2.1
121.02943	1.2
123.00114	0.9
123.00818	5.0
123.04507	3.8
124.01649	4.1
125.02441	65.1
126.02741	1.5
131.04988	1.3
133.02917	3.0
135.04494	1.1
137.02438	1.4
139.00345	1.6
139.03983	1.9
149.02448	5.6
151.00362	39.1
151.04001	1.7
152.01105	7.9
153.01932	19.7
158.03784	1.5
163.00334	2.5
165.01920	4.2
165.04039	1.2
166.02623	1.4
167.03470	6.8
168.00545	1.8
169.01410	6.9
169.06567	1.3
172.05319	3.1
173.06052	7.6
175.04016	2.4
176.01096	3.0
177.05617	2.5
178.99854	15.6
179.03438	3.7
181.06688	1.9
188.25264	1.0
193.01350	1.3
196.05347	1.5
197.06129	2.2
199.18138	1.3
200.04726	1.6
201.05684	2.4
206.66803	0.9
209.04561	2.1
210.28484	0.9
213.05515	1.7
215.07124	7.8
225.05579	2.9
225.16093	2.4
240.04276	1.4
241.04985	4.2
243.06578	3.7
243.17101	4.3
244.17462	2.6
245.17334	1.1
255.05009	1.2
259.06088	97.2
260.06409	6.0
268.03641	1.3
269.04529	100.0
270.04901	5.0
273.07663	6.3
283.06067	3.1
285.17072	3.8
287.05600	31.0
288.06085	1.6
297.06049	11.0
311.07944	2.1
313.05637	12.9
362.10156	2.8
396.26675	1.2
437.10690	2.0
470.34103	4.3
492.09177	2.4
541.18903	1.1
571.14764	6.3
581.13000	5.4
598.38947	33.0
599.13275	23.7
599.21179	4.1
599.39001	10.9
600.14453	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	597.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01382	10.7
61.98829	29.4
63.65908	0.8
68.99815	1.2
70.35759	1.1
70.36116	2.5
71.01369	4.0
72.99319	1.7
73.02940	2.5
76.95441	0.8
81.03477	1.5
85.02939	5.9
88.98805	2.4
89.06797	0.8
93.03466	1.6
95.01376	3.9
96.96028	1.2
101.02402	2.1
108.02172	67.1
109.02959	46.0
110.03318	0.9
119.05019	2.9
121.02978	1.7
123.00882	2.4
123.04512	1.7
125.02433	2.3
135.04483	1.0
151.03992	1.9
152.01147	67.7
153.01945	25.4
153.05515	0.9
163.04005	4.8
165.01929	2.1
165.05537	0.8
176.86783	0.9
179.03442	1.2
181.84044	0.7
193.08676	0.9
196.38461	0.8
211.09778	0.9
219.96692	0.8
289.07126	0.9
297.06262	1.4
299.02057	1.0
315.07236	5.1
357.08282	7.5
391.42026	1.0
579.24524	5.3
597.25494	100.0
598.25781	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	597.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01382	10.7
61.98829	29.4
63.65908	0.8
68.99815	1.2
70.35759	1.1
70.36116	2.5
71.01369	4.0
72.99319	1.7
73.02940	2.5
76.95441	0.8
81.03477	1.5
85.02939	5.9
88.98805	2.4
89.06797	0.8
93.03466	1.6
95.01376	3.9
96.96028	1.2
101.02402	2.1
108.02172	67.1
109.02959	46.0
110.03318	0.9
119.05019	2.9
121.02978	1.7
123.00882	2.4
123.04512	1.7
125.02433	2.3
135.04483	1.0
151.03992	1.9
152.01147	67.7
153.01945	25.4
153.05515	0.9
163.04005	4.8
165.01929	2.1
165.05537	0.8
176.86783	0.9
179.03442	1.2
181.84044	0.7
193.08676	0.9
196.38461	0.8
211.09778	0.9
219.96692	0.8
289.07126	0.9
297.06262	1.4
299.02057	1.0
315.07236	5.1
357.08282	7.5
391.42026	1.0
579.24524	5.3
597.25494	100.0
598.25781	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	597.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74988	0.3
52.94487	0.4
59.01388	0.3
61.98826	6.1
75.00858	0.5
81.03455	11.6
83.05024	35.5
84.05372	0.7
89.02416	0.3
100.07681	4.7
108.04502	0.4
123.00781	0.3
125.02421	0.3
126.05590	0.9
127.03993	0.5
127.07603	0.3
136.28564	0.3
182.15558	0.4
199.18159	7.1
207.14980	0.5
224.17653	0.6
225.16075	8.2
226.16489	0.5
243.17117	19.2
244.17412	0.9
269.14932	0.7
309.21808	0.9
353.20773	5.8
354.21017	0.6
451.32837	1.9
452.31964	0.4
469.33893	13.2
470.34024	1.8
553.39795	0.5
579.37457	2.1
580.37640	0.7
597.38672	100.0
598.38922	13.3
598.48767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.26772	1.0
69.27190	0.4
82.85011	0.1
99.65703	0.1
101.26460	0.1
107.87506	0.1
125.02488	0.2
126.25588	0.1
132.03024	0.2
168.73114	0.1
202.15981	0.1
209.11922	0.2
236.43616	0.1
244.12788	0.1
261.69489	0.2
424.64758	0.1
443.39667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66711	0.2
54.76856	0.1
61.98829	100.0
69.32443	0.6
69.32868	0.7
71.01393	0.2
93.03459	1.4
95.18028	0.2
99.00873	0.2
104.47763	0.2
123.04526	0.2
125.80493	0.2
137.02443	5.0
153.05589	0.3
194.12875	0.2
194.51413	0.2
214.43654	0.2
356.68997	0.2
535.18060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
60.99304	0.4
61.98829	100.0
65.00336	0.9
69.15672	1.7
69.16097	1.1
71.01392	0.7
83.01402	0.6
85.02975	0.3
88.04038	1.0
88.13759	0.2
88.98798	2.2
93.03473	0.3
101.02426	0.3
103.45248	0.2
104.59830	0.3
107.01416	1.0
114.79577	0.3
121.02995	0.3
123.04525	0.4
125.02453	1.5
132.03021	2.7
137.02466	1.1
142.83809	0.3
150.03223	0.4
151.00365	4.0
151.04016	0.8
152.01057	0.4
161.02461	0.4
167.03506	0.4
169.01437	0.4
171.10338	1.1
175.04147	0.3
176.06549	0.3
178.99901	0.6
186.43379	0.3
197.08163	0.3
209.11929	1.1
217.08762	0.5
248.24068	0.3
285.04034	1.9
356.70758	0.3
358.14035	0.3
598.25726	0.9
599.14081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40873	1.0
58.02976	7.9
59.01376	3.3
61.98831	24.5
66.03475	1.5
71.01377	1.4
71.52454	1.3
72.00923	1.2
73.65552	0.9
74.02468	16.9
82.02990	2.1
86.02486	6.9
86.06138	1.4
86.99107	1.6
87.05637	3.1
88.03996	1.2
90.00224	1.1
97.04090	1.4
99.05641	15.2
101.02448	1.5
101.07218	2.5
102.05605	1.4
107.06181	1.1
109.02924	1.4
109.04075	3.0
110.02320	1.0
110.06056	1.1
112.04060	2.2
116.01749	2.4
120.01222	1.3
123.05671	1.1
124.04071	1.6
125.02447	3.1
125.03574	1.3
127.05160	2.3
128.03539	43.3
131.04588	1.4
132.03035	1.8
135.05655	4.3
137.02399	1.4
137.07198	1.7
141.06686	4.4
143.04617	59.2
145.06180	2.3
146.04608	5.2
149.02431	1.0
153.06709	4.4
155.08371	1.4
155.10802	1.5
160.00731	15.0
166.09879	2.1
167.04591	4.1
167.08266	3.0
171.10216	9.5
177.03339	6.5
179.04607	11.6
181.06195	2.4
185.05725	1.2
192.07686	1.7
197.05733	2.6
209.11807	10.0
210.08838	11.4
231.08162	3.8
254.07793	18.0
272.08875	30.7
273.08887	1.4
288.06567	12.5
306.07645	100.0
307.07755	4.3
363.21512	1.7
581.29407	1.4
598.27960	11.3
599.29608	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09201	1.5
58.11045	1.5
69.58317	11.4
70.05901	1.6
71.01372	5.5
73.02941	3.1
81.03472	1.7
81.88869	1.6
83.01392	4.1
85.02383	1.5
85.02953	4.0
87.00878	34.1
92.16745	1.8
93.03455	2.3
99.00861	3.2
100.01651	3.1
101.02444	2.6
108.02174	1.8
111.00877	31.5
121.02954	2.9
122.03743	11.8
123.00858	1.9
125.02425	1.8
129.01880	2.3
131.03474	2.5
136.01633	2.1
138.03191	2.2
147.03049	2.9
149.02432	22.5
150.03221	83.2
151.00311	2.1
151.04027	9.7
153.05602	2.2
161.02443	5.2
163.04018	2.7
164.04823	12.5
165.05560	85.7
166.02754	3.7
166.05908	2.4
166.17918	1.5
176.04701	3.0
178.06276	1.9
179.03482	8.5
179.07082	8.6
180.04283	7.8
181.05046	6.0
191.01955	2.5
191.03502	3.0
191.07117	2.4
194.05782	6.6
194.85834	1.8
195.06627	32.1
205.04912	2.7
209.08170	7.1
219.06718	2.5
247.06021	2.9
249.04063	5.0
249.07710	5.8
250.04808	2.1
264.06342	11.4
265.07010	9.3
277.07166	2.2
337.09235	9.5
354.24374	1.9
359.40765	1.8
413.12332	6.3
461.14481	55.9
462.14899	3.9
487.16342	4.2
505.17230	3.3
521.16888	3.1
531.14722	1.9
579.17102	7.4
597.18250	100.0
598.18304	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13053	1.5
59.01370	1.5
60.20316	1.2
61.84154	1.6
69.19241	14.8
71.01396	8.8
71.51855	1.4
73.02952	4.0
75.93962	1.5
78.43658	1.5
83.01401	2.2
85.02942	3.4
87.00878	27.0
88.04050	4.3
93.03445	4.1
97.03001	1.6
98.20708	2.9
99.00899	4.9
100.01659	5.7
101.02457	3.3
108.02180	3.7
109.02934	2.4
111.00883	15.4
112.98811	5.2
115.00378	1.7
121.02953	5.9
122.03757	12.6
123.00896	7.1
123.04543	2.2
132.03023	9.3
133.02982	1.6
135.04591	1.7
137.02417	1.9
142.99850	3.1
145.01468	2.1
149.02431	30.3
150.03224	91.0
151.00343	2.3
151.04042	7.3
152.01140	3.4
153.01904	3.8
153.05598	2.6
161.02422	4.0
162.03134	2.2
163.04016	2.5
164.04813	9.2
165.05568	100.0
166.02722	4.5
166.05942	3.9
173.00948	8.5
173.02213	1.7
174.01678	4.1
175.04115	2.3
176.04776	6.0
178.06337	2.6
179.03514	6.2
179.07117	5.3
180.04317	7.4
181.00087	1.7
181.05063	5.4
189.05632	1.6
190.02773	1.9
191.03532	5.9
191.07121	3.7
192.04318	1.8
193.08748	3.3
194.05881	6.9
195.06615	53.0
196.07031	2.0
203.03598	2.7
205.05086	2.9
206.05760	3.3
209.08206	6.5
219.03084	2.7
221.08200	8.0
234.05234	2.7
246.05608	1.5
247.02449	3.7
247.06017	1.6
249.07721	5.0
250.07190	7.6
261.04053	5.0
262.04761	6.7
264.06516	4.6
265.07202	5.6
272.08893	2.8
276.06412	3.3
277.07233	13.1
291.08875	1.9
295.08118	1.7
322.07028	2.8
337.09256	34.4
338.09674	4.0
354.10913	1.5
369.13367	11.6
370.13739	1.8
413.12354	5.6
443.13608	3.2
461.14545	29.9
462.14902	3.4
473.14520	4.1
485.14453	3.3
491.15674	2.1
521.16888	4.1
533.16791	9.5
579.17169	17.0
580.17255	2.1
597.18317	86.1
598.18750	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	597.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63273	0.4
56.55289	0.4
56.90340	0.4
57.03452	0.5
59.01372	1.5
61.98828	2.1
65.00336	1.0
71.01366	2.7
72.99311	1.2
73.02943	0.8
83.01388	1.0
85.02951	2.1
89.02445	0.8
91.01885	4.8
93.03455	1.3
95.01387	1.2
97.02944	0.6
97.39195	0.4
99.00877	1.1
101.02438	1.0
107.01391	0.5
108.02171	57.5
109.02962	19.8
111.00868	1.5
113.02435	2.0
119.05028	0.6
121.02973	2.9
122.03731	0.6
123.00879	1.7
123.04517	15.0
125.02428	1.0
133.02916	0.5
134.03735	0.5
135.00876	0.5
135.04480	1.0
135.34756	0.4
137.02420	3.1
141.49327	0.4
143.83646	0.4
147.04497	0.4
150.03174	0.7
151.00346	0.9
151.03984	0.9
152.01144	100.0
153.01939	23.1
154.02365	0.6
161.04524	0.6
163.03995	4.3
165.01920	1.0
165.05490	0.5
166.02631	0.5
167.03481	21.2
169.01489	0.7
177.01927	1.2
179.03496	1.3
179.52132	0.4
207.02969	0.8
209.04478	2.0
229.49872	0.5
259.09756	1.2
270.49283	0.4
275.74945	0.4
297.06140	0.9
315.07162	1.6
368.22916	0.5
429.10342	20.8
430.10660	2.0
435.09277	1.1
447.11380	9.4
448.11792	0.5
468.77502	0.5
553.15222	0.7
561.21545	0.4
565.10883	0.6
597.14520	88.8
598.14850	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	597.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.4
59.57082	1.1
71.01390	4.6
73.02946	3.8
83.01396	2.2
85.02957	3.3
87.00880	8.7
93.03454	3.0
95.88245	1.4
98.19902	2.3
99.00874	3.4
99.68494	1.1
100.01657	3.8
101.02466	2.4
108.02223	1.2
109.02922	1.5
111.00876	9.6
112.98835	5.9
121.02927	3.0
122.03741	10.4
123.00908	4.8
123.04537	1.6
123.63981	1.3
125.02515	1.5
131.03499	1.4
133.02989	1.9
136.01678	1.6
142.99828	4.9
145.64951	1.3
149.02438	18.0
150.03227	85.9
151.00356	4.6
151.03967	2.7
152.01099	2.6
153.01942	1.3
161.02440	4.8
163.04019	3.5
164.04807	7.6
165.05566	100.0
166.02744	3.4
166.05884	4.5
173.00932	7.0
174.01663	5.8
175.04007	1.3
176.04700	1.3
179.03455	5.3
179.07108	5.4
180.04257	7.4
181.05054	6.3
190.02722	1.4
191.03528	2.9
193.08693	2.2
194.05836	4.2
195.06625	51.5
203.03426	1.6
205.05057	2.1
209.08208	5.7
221.08183	5.4
234.05318	2.6
247.02437	2.6
249.07753	2.9
261.04156	2.7
262.04822	5.2
264.06342	5.1
265.07117	5.4
266.08002	1.9
276.06396	2.1
276.52325	1.3
277.07199	11.5
285.04037	1.4
295.08337	1.9
337.09314	29.0
338.09476	3.4
400.10019	1.7
423.11002	1.9
461.14484	28.2
473.14096	2.6
491.15613	2.9
521.16467	2.6
533.17175	2.6
579.17004	10.0
597.18280	72.9
598.18768	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04844	0.5
57.03442	2.2
59.01373	0.7
60.05021	0.5
70.20407	1.0
70.20778	1.3
71.01362	1.5
73.02946	0.9
81.03463	1.8
83.01390	2.9
85.02932	0.9
87.00871	2.9
88.04038	1.5
93.03440	0.8
95.05015	1.6
97.02966	4.3
98.20597	0.7
99.00877	0.7
108.02150	1.6
109.02953	16.0
111.00896	2.3
115.00369	0.6
121.02944	3.0
122.03692	2.0
122.04509	0.7
123.00869	1.0
123.04523	9.1
125.02451	14.3
132.03008	2.4
135.04509	1.1
137.02446	10.7
139.04002	2.5
145.02950	0.8
146.03764	1.0
149.02454	7.7
150.03238	9.4
151.00429	0.7
151.03995	7.7
152.01146	2.6
153.01988	0.7
159.04543	1.4
160.05269	1.1
161.02464	1.4
161.06062	4.4
162.03207	0.9
163.04016	1.8
163.96642	0.6
164.01138	2.4
164.04796	1.3
165.01935	2.5
165.05563	13.0
166.02705	1.3
167.03476	2.1
173.00891	1.1
175.03993	2.4
175.07611	1.2
177.05473	0.7
179.03523	5.1
180.04221	0.9
181.05095	1.3
185.05927	0.7
187.04027	3.0
188.04752	1.9
189.01897	0.8
191.03442	1.1
195.06584	3.7
201.05672	0.8
202.06276	1.3
203.03560	0.7
203.07144	9.9
205.05067	7.8
221.08237	3.0
227.07135	1.6
231.03004	1.4
245.08163	14.4
247.06061	1.6
265.07178	0.9
271.06094	2.3
277.07187	1.2
289.07172	100.0
290.07574	5.8
313.07291	1.3
337.09305	3.7
445.13345	0.8
461.14597	3.9
497.12473	0.6
533.16956	0.9
579.17322	2.3
590.11462	0.6
597.18292	11.8
598.18793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.3
61.98831	64.0
63.82264	1.6
69.22829	17.0
71.01373	7.4
73.02943	3.6
75.00862	3.1
78.95915	2.2
83.01413	2.8
85.02952	7.1
88.98804	5.3
89.02444	6.4
98.20677	3.0
99.00886	9.1
101.02460	3.4
109.02970	1.8
113.02460	5.1
123.04538	3.1
125.02445	5.9
133.53639	1.8
135.04474	3.2
135.08154	4.4
137.02409	4.5
149.04515	3.5
150.03261	2.7
153.09216	100.0
154.09505	3.9
161.04614	3.8
163.04036	3.3
165.05511	1.8
167.03442	2.9
172.56126	1.8
177.37260	2.1
181.04915	3.0
191.05568	4.9
197.08191	42.5
198.08473	2.1
272.36310	1.8
297.37875	1.7
355.46661	1.9
397.14856	3.6
415.15936	11.4
450.15421	2.1
520.28351	2.0
591.31763	2.2
595.23596	45.8
596.24554	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	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01385	0.7
59.17079	0.6
60.00533	0.6
61.98835	0.6
78.46422	0.7
78.95901	69.5
96.96956	10.6
98.20661	1.4
130.75838	0.6
136.11345	0.6
150.97998	1.5
151.34372	0.6
152.99583	100.0
153.99957	1.0
171.00653	3.9
209.11890	1.2
223.00104	11.0
241.01170	24.7
259.02243	1.8
279.23270	64.9
280.23602	4.7
315.04861	16.4
389.98520	0.8
521.26965	0.6
595.28876	83.8
596.29254	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50220	2.1
78.95905	61.9
79.16667	1.4
96.96953	15.2
108.14227	1.3
120.42687	1.4
121.02939	2.2
126.91846	1.3
152.99582	55.6
167.58492	1.4
183.13913	4.1
199.13556	1.3
204.19722	1.2
209.11775	4.5
223.00047	2.1
241.01167	29.9
265.31757	1.4
279.23279	66.4
280.23514	3.8
311.22217	3.2
315.04947	9.4
387.10184	1.6
415.22495	6.9
448.16220	1.6
595.28906	100.0
595.37415	4.8
596.29449	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	595.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00478	0.9
57.03425	2.0
59.01373	4.0
61.39886	1.1
61.98833	14.6
69.21883	7.7
71.01384	3.7
72.99285	1.9
73.02950	2.3
75.00888	1.0
76.05074	0.9
85.02982	1.3
89.02410	1.4
97.06591	1.2
101.02460	7.7
103.92499	0.9
111.08146	3.2
113.02429	2.8
122.49666	0.9
125.02415	1.3
132.02983	1.5
137.02443	1.3
143.03560	1.0
149.02292	0.9
165.12836	30.1
167.14447	1.1
179.03546	1.6
183.13899	72.8
184.14188	2.9
195.13979	1.2
197.15456	7.3
207.13910	4.7
209.11847	6.1
225.14954	7.9
227.12885	100.0
228.13240	4.5
251.12935	6.3
269.13910	9.1
289.07108	1.4
299.14990	7.5
329.16052	30.0
330.16623	1.7
389.18179	27.1
390.18741	1.9
586.52679	1.0
595.31622	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	596.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01374	0.5
60.99315	0.2
61.98829	100.0
62.98514	0.3
64.69749	0.2
71.01378	0.5
71.51732	0.3
83.01402	0.2
84.90935	0.2
88.74424	0.2
88.98817	0.5
95.01436	0.2
96.96040	0.4
101.02445	0.2
102.36931	0.3
107.01384	0.3
108.02239	0.4
109.02949	0.6
119.80482	0.2
121.03004	0.3
123.04543	0.8
125.02471	1.9
137.02451	2.5
144.97054	0.2
149.02451	0.6
150.03207	0.5
151.00401	0.2
151.04027	0.7
152.01180	0.4
152.03511	0.2
153.01944	0.4
157.06416	0.2
161.02382	0.3
165.01991	0.6
167.03525	0.7
168.00607	0.5
169.01392	0.4
179.07198	0.2
180.04326	0.3
183.03001	0.5
191.07097	0.5
195.06650	0.5
224.58205	0.2
235.09761	0.8
240.50995	0.2
245.08101	0.2
246.05547	0.2
277.83716	0.2
285.04004	1.6
289.07129	0.3
371.11319	0.6
379.08264	0.4
397.09485	0.7
435.13007	0.6
533.20386	2.2
534.21130	0.3
596.25409	0.3
597.12451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88311	0.9
57.03440	1.4
59.01377	3.8
63.02391	4.2
65.00323	6.5
69.03475	2.0
69.98276	0.8
70.90346	1.0
71.01382	2.2
71.05949	1.8
73.02953	1.7
80.96191	0.9
81.03453	1.5
83.01376	4.7
85.02956	1.2
87.00877	2.4
95.01372	1.6
101.02471	1.4
107.01389	9.4
109.02951	1.3
113.02352	1.2
115.03973	0.9
117.03479	2.3
121.02884	1.1
123.00858	5.3
123.08231	1.1
124.01676	12.9
125.02449	39.4
126.02768	1.1
131.03528	1.0
135.04541	2.0
137.02441	3.3
149.02391	1.1
149.99576	15.4
151.00365	23.1
152.01140	8.0
168.00638	34.9
169.01418	4.9
171.11722	1.3
172.65398	0.9
173.05898	1.1
178.99812	5.0
181.06636	0.9
195.04808	1.0
197.06015	1.5
225.05545	4.1
233.95319	0.9
237.15062	1.2
243.06764	1.1
259.06125	4.1
269.04541	100.0
270.04825	7.3
281.13876	1.4
287.05432	2.6
313.05609	2.7
358.27747	1.0
472.55127	0.9
489.87354	1.3
595.20605	63.3
596.20807	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	595.2025
Annotation	Staunoside C
Peak:m/z	Relative Intensity
53.23117	0.4
53.43108	0.4
55.01860	0.5
56.26687	0.4
57.03431	0.8
57.28683	0.5
58.01574	0.4
59.01366	1.4
61.98824	0.5
65.00323	0.5
66.16573	0.5
69.03461	2.2
71.01363	1.5
71.52260	0.9
79.01884	0.9
81.03453	1.4
83.01385	1.6
85.02959	1.1
85.37241	0.5
87.00862	1.2
95.01397	2.1
95.05017	0.4
97.02947	2.5
98.74977	0.4
99.00866	0.5
101.02423	1.0
107.01385	2.5
108.02197	1.1
109.02923	1.1
111.00929	0.5
113.02407	0.7
121.06604	0.7
123.00890	7.4
123.04483	0.5
123.08167	1.6
124.01664	15.8
125.02444	44.1
126.02755	1.2
135.04503	1.0
137.02455	3.3
139.00354	1.5
140.84612	0.5
143.07132	0.5
144.06683	1.0
149.99579	27.3
151.00363	7.5
151.04050	0.6
152.01115	0.9
153.01880	0.8
154.02681	0.7
161.02469	0.5
161.04503	0.5
167.03482	1.5
168.00632	53.0
169.01401	6.6
169.05049	1.4
171.11786	1.8
175.03961	0.4
178.99854	0.9
189.12827	0.5
193.01437	0.4
195.03139	0.5
200.19441	0.4
201.12814	0.5
237.14960	3.0
263.12827	1.3
268.03766	0.5
269.04391	5.2
281.13965	3.6
285.03769	0.6
287.05334	1.2
313.05673	3.7
331.06442	1.1
331.10242	0.7
348.49707	0.5
564.99756	0.6
595.20331	100.0
596.20660	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
58.00601	1.3
59.01378	54.6
61.98831	100.0
65.00316	2.9
69.03458	2.0
69.17287	14.5
71.01382	27.2
72.99300	4.0
73.02946	12.7
81.03428	2.4
83.01369	4.0
85.02955	14.7
87.00857	2.2
88.98812	3.0
89.02444	14.4
91.35553	1.3
93.03461	87.9
94.03825	2.2
95.01373	3.1
96.95947	2.3
97.02934	5.6
99.00844	1.8
101.02441	25.3
103.04012	17.9
107.01363	3.6
107.05025	4.7
108.02171	4.9
109.02958	1.8
113.02421	2.5
115.50844	1.3
117.03432	2.3
118.49893	1.6
119.03512	9.4
119.05002	3.1
121.02961	46.2
123.00849	1.4
123.04449	2.2
124.01653	1.9
125.02449	29.7
127.04028	2.6
129.24323	1.3
135.04546	2.7
137.02444	75.4
138.02788	2.3
142.03151	1.4
145.02928	5.9
145.05042	2.4
147.04556	1.7
150.03206	1.7
151.00381	12.6
151.03954	3.9
152.01062	1.6
153.01884	1.7
153.05547	2.1
160.96321	2.0
161.02441	3.2
163.04021	3.2
163.06122	16.8
167.03490	2.5
179.03491	4.8
197.06088	13.3
199.07642	4.8
209.06071	1.8
221.04305	1.8
225.05525	2.7
227.07130	84.5
228.07436	5.0
247.08167	6.6
259.05991	1.6
269.04550	40.6
281.06644	6.4
287.05539	2.2
307.10489	10.4
311.82703	1.7
323.07858	2.3
375.27686	1.9
427.12424	32.1
595.14294	7.8
595.23334	2.3
595.26520	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	594.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92463	0.4
59.01385	1.6
61.98829	28.2
65.95152	0.5
66.91951	0.5
71.01392	0.8
71.20566	0.7
73.02937	0.6
78.95910	1.0
81.98582	0.4
85.02955	0.7
85.64931	0.4
88.34914	0.5
99.00864	0.7
103.75195	0.6
108.08194	100.0
109.08530	2.2
113.02461	0.8
123.47971	0.5
124.04102	0.6
124.05036	0.5
135.04517	0.5
151.00359	0.8
152.07170	79.2
153.07516	2.1
169.18723	0.5
196.06142	84.7
197.06471	3.3
202.74435	0.5
318.33157	0.5
381.96060	0.6
594.21820	20.8
595.21637	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	594.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50109	0.2
58.17060	0.2
59.01378	2.7
61.98828	100.0
62.98529	0.3
63.99245	0.4
69.19266	0.6
69.19685	1.8
71.01377	1.3
73.02951	0.5
83.01410	0.3
85.02953	0.6
88.98793	0.4
89.02452	0.7
93.03452	2.0
95.01335	0.3
96.96009	0.3
101.02435	1.2
103.04021	0.6
106.95007	0.3
108.02158	0.6
109.02950	0.6
113.02469	0.3
115.94026	0.2
119.03445	0.3
119.05045	0.5
121.02946	1.3
123.04544	0.4
125.02401	1.2
133.02994	1.2
135.04567	1.6
137.02432	2.4
151.00282	0.4
151.03992	0.5
152.01180	0.4
161.02463	3.2
163.06189	0.7
177.05608	0.7
179.03491	2.6
181.05005	0.3
193.76753	0.2
197.06198	0.4
206.24910	0.2
213.87177	0.3
221.04636	1.1
227.07114	2.5
237.09903	0.3
247.08298	0.3
251.05629	1.0
281.06573	2.6
282.06946	0.2
307.10361	0.3
314.99954	0.3
341.08664	2.5
341.11761	0.2
369.13626	0.3
374.26367	0.3
375.27469	0.4
427.12546	0.9
531.22400	1.1
595.24670	0.6
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
54.59790	0.6
57.03451	0.9
59.01377	20.2
61.98829	8.2
71.01379	2.4
78.95900	9.2
79.95734	2.8
80.96522	5.6
94.98064	1.8
113.09751	2.5
148.99068	0.9
151.00359	0.7
152.99591	2.7
163.04068	0.8
168.04309	1.7
179.14417	1.5
195.13905	21.6
196.14388	0.9
212.33028	0.8
214.06245	0.6
224.06964	1.2
242.07893	4.7
267.63763	0.8
277.21732	16.9
278.22089	1.4
295.22769	100.0
296.23108	4.6
343.20157	0.8
434.43472	0.9
449.22992	1.4
454.53543	0.8
520.30414	66.5
521.30762	5.1
594.26343	9.8
595.27533	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	594.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.8
61.98828	23.9
63.99235	1.5
71.01400	1.2
71.51102	1.4
78.95899	24.7
111.82921	1.1
113.09672	1.2
125.02384	2.5
152.99538	3.9
168.04306	3.5
195.13898	15.7
209.11763	4.6
210.12125	1.4
224.06926	10.2
242.07875	2.8
277.21741	15.5
295.22781	71.2
296.23029	5.1
302.50323	1.1
315.62161	1.1
352.84396	1.1
374.26819	1.2
400.87698	1.2
449.23340	1.5
520.30408	100.0
521.30896	8.1
534.31952	1.5
565.16669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.76771	1.1
65.06866	1.1
68.99595	1.3
71.49921	1.5
71.50308	1.3
83.09351	1.3
90.61682	1.2
92.21717	1.1
119.66007	1.2
140.37558	1.2
159.13617	1.1
166.04306	1.1
297.42212	1.2
307.17014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.14637	4.4
81.25522	0.4
89.06196	0.5
123.11609	0.4
143.37329	0.4
177.76024	0.4
191.87016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1666
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
57.03525	1.3
59.01457	2.2
63.02129	0.5
63.02480	4.2
65.00040	0.7
65.00410	5.4
69.03529	0.5
69.40892	1.3
69.41323	1.4
70.27093	0.4
71.01472	1.7
73.03050	1.6
81.03517	0.5
83.00966	0.4
83.01488	3.8
85.03033	0.9
87.00978	1.4
87.04600	0.7
89.02532	0.7
93.03542	0.5
95.01455	0.6
97.02974	0.5
98.20634	0.8
101.02552	1.3
103.04059	0.8
103.40273	0.4
107.01389	8.5
111.00970	0.5
115.04077	0.9
117.03470	2.8
119.05133	0.6
121.03078	0.5
123.00981	1.4
124.01661	5.3
125.02438	14.3
131.03593	1.0
133.03072	0.4
134.03775	0.6
135.04625	1.4
137.02513	0.8
139.00465	0.6
143.03600	0.8
144.58929	0.4
149.02504	0.8
149.99576	4.9
151.00362	20.7
152.01157	8.7
155.05113	0.5
159.04533	0.8
163.06262	0.4
168.00642	9.8
168.01962	0.7
169.01360	2.2
169.05217	0.4
169.06604	0.9
173.06096	0.6
177.05614	0.7
178.99861	5.7
180.00706	0.4
181.06647	0.6
183.04561	0.4
193.01430	0.5
196.05351	0.6
197.06148	0.7
201.05557	0.7
205.07231	1.0
215.14993	0.4
225.05550	3.4
227.03790	0.4
241.05016	0.6
243.06599	0.8
259.06052	4.8
269.04526	100.0
270.04858	6.2
281.14120	0.8
286.04715	0.5
287.05655	2.3
313.05685	0.8
314.30038	0.4
349.29291	0.4
433.07983	0.4
498.52097	0.4
595.16809	25.4
596.19598	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	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22974	1.3
59.01372	1.4
61.98823	4.1
63.18054	1.2
70.66578	1.4
71.49522	1.4
78.95903	76.3
96.96964	14.7
108.00388	1.3
121.02972	1.8
126.37444	1.5
133.89038	1.3
152.99585	57.9
155.95877	1.4
162.96622	1.3
209.11836	12.8
213.66208	1.3
241.01180	30.7
277.21695	49.2
278.21930	3.3
291.19702	1.5
307.13983	1.3
315.04791	8.5
399.96228	1.5
413.21048	7.6
503.30768	1.5
593.27252	100.0
594.27637	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	594.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75267	0.7
53.01665	0.8
57.03431	3.7
58.02976	5.1
58.74705	0.7
59.01348	0.8
70.50829	1.9
73.36389	0.9
74.02470	12.1
80.65115	1.0
81.03422	1.2
83.01377	2.3
84.04471	0.8
86.02474	3.9
86.06113	1.0
87.05623	1.5
87.39142	0.8
88.04024	1.0
89.26418	0.9
97.02963	0.8
97.04073	1.5
99.05636	9.4
101.07195	2.0
107.06120	1.0
109.04017	1.3
109.52994	0.9
112.04021	1.1
117.38026	1.0
121.02946	2.6
123.04473	1.0
125.02450	30.7
126.02728	1.1
127.05177	0.9
128.03542	34.3
135.04556	1.0
135.05608	3.0
137.02448	6.8
139.03998	1.7
139.99361	1.5
141.00150	11.2
143.04619	44.2
145.06174	1.7
146.04584	4.3
149.02455	5.8
153.00148	2.6
153.06706	1.5
155.01663	1.1
161.02443	8.5
162.02946	1.0
164.01175	2.3
165.01949	4.9
166.09834	2.0
167.03398	1.4
167.04669	1.9
179.03232	1.6
179.03670	1.5
179.04707	7.6
180.99551	1.2
181.06271	1.0
183.01218	10.4
185.05638	1.5
194.06743	1.7
200.04735	1.0
201.05551	2.5
203.03542	1.1
210.08855	8.3
215.07031	1.7
228.09686	1.2
235.04277	1.1
237.02235	1.9
243.06613	2.9
254.07793	15.6
269.04636	1.7
272.08871	100.0
273.09213	4.4
277.05334	1.6
287.05621	1.6
310.89395	0.8
321.04352	41.8
322.04602	2.2
456.10989	6.5
465.09482	1.0
594.13910	8.0
595.14648	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	594.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57022	0.9
57.03439	3.8
58.02991	1.2
63.70139	1.1
74.02468	2.4
83.01392	3.4
93.85666	1.0
95.02176	1.2
97.02950	1.7
99.04527	2.3
99.05653	2.6
109.03006	1.6
111.04539	1.3
121.02954	2.3
123.04581	2.1
125.00638	1.8
125.02447	20.3
128.03552	6.7
137.02451	20.1
139.03973	2.5
141.00185	12.5
143.04594	10.4
147.35854	1.1
149.02438	5.9
153.00166	6.0
155.01743	1.3
161.02402	2.5
164.01128	2.7
165.00165	16.8
165.01723	2.4
167.03464	11.4
179.03383	2.6
179.04744	1.8
179.98863	1.5
180.99655	10.7
183.01216	15.5
193.03363	2.0
195.01189	2.0
201.05537	1.4
210.08849	2.1
235.04298	2.4
254.07796	3.7
272.08875	26.5
291.96463	1.1
303.03299	3.2
321.04361	100.0
322.04706	4.2
506.98428	1.2
583.82605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
56.58920	0.4
56.88964	0.5
59.01388	0.9
59.64666	0.4
61.98830	8.2
69.03421	0.6
71.01392	5.8
72.99245	0.7
73.02938	1.2
78.98598	3.5
79.95737	30.9
80.96516	48.5
85.02946	1.5
87.00871	2.4
94.98082	11.8
95.01330	0.5
96.96006	0.8
97.02912	0.7
98.19743	1.0
100.16570	0.6
101.02416	1.7
106.98083	1.7
113.02428	0.7
116.13582	0.5
122.97574	3.9
125.02453	2.9
127.03993	1.0
134.97577	3.0
136.99124	0.5
148.99149	4.5
152.98624	5.8
161.04442	0.6
164.97302	0.9
164.98602	9.4
170.45290	0.5
182.99635	1.8
187.07492	0.6
203.62488	0.6
206.99666	2.8
225.00734	16.0
241.00221	1.0
243.01753	1.3
293.21231	0.7
299.04327	3.7
310.05786	0.6
315.03806	0.8
317.05627	0.5
371.06473	1.6
385.08224	0.7
399.09601	1.6
413.10934	0.9
441.14456	1.4
455.15842	2.5
495.19012	1.8
523.18085	0.8
524.19489	0.6
593.26324	100.0
594.26605	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
61.98823	2.5
65.40061	1.1
72.66915	1.0
78.95904	67.3
85.85446	1.0
96.96964	14.3
98.19798	2.5
112.80524	1.0
149.73813	1.5
150.98048	1.6
152.99580	100.0
171.00592	2.1
223.00128	8.7
229.55435	1.3
241.01157	27.3
259.02216	2.6
277.21707	51.2
278.22070	3.4
294.31104	1.1
305.26913	1.0
315.01230	1.7
315.04834	20.6
333.05945	1.5
500.44955	1.2
565.87463	1.1
593.27295	99.5
594.27557	9.1
621.48792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.6
60.99306	14.5
61.98828	2.8
68.60497	0.4
71.01399	0.6
81.61908	0.5
83.05025	1.8
84.50157	0.5
88.98806	100.0
89.02473	0.8
89.99114	0.7
92.79998	0.4
124.01628	0.4
125.02483	0.6
168.00629	0.5
196.07961	0.5
225.16049	5.4
314.01544	0.5
341.29092	0.5
367.27197	1.5
451.32819	7.0
462.32864	0.5
503.24994	1.5
593.43561	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.8
61.98825	1.7
62.28430	0.7
70.22559	0.9
85.02975	0.9
89.75011	0.9
107.01382	1.6
108.02176	1.2
109.02953	1.5
111.00823	1.0
111.92236	0.9
115.34758	1.0
121.02993	0.9
121.69605	1.0
125.02420	3.1
135.00847	1.3
137.02449	1.1
149.02278	1.1
151.00328	2.1
152.01140	1.3
161.02423	1.3
164.01108	0.9
177.01898	1.2
183.04507	1.3
199.04036	1.1
211.04016	1.5
219.95663	1.0
227.03490	39.4
227.05746	2.0
255.02982	72.8
256.03580	6.6
283.02307	2.2
284.03253	100.0
285.03931	20.2
289.07013	1.9
290.07462	1.3
429.08282	1.8
593.15002	82.0
594.15033	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19365	0.3
54.32019	0.3
58.54857	0.3
59.01385	0.7
61.98838	1.0
63.02416	0.8
64.28883	0.3
65.00349	0.8
69.03469	0.4
71.51754	0.5
74.50012	0.3
75.27942	0.2
83.01394	1.1
85.02940	0.4
87.87592	0.3
89.02483	0.3
93.03452	1.2
96.96017	0.9
97.02919	0.3
99.00905	0.3
101.02486	0.5
105.03516	0.4
107.01414	1.5
109.02949	1.9
111.00888	0.7
113.02476	0.4
119.05023	1.0
121.02960	0.9
121.70385	0.3
123.00906	0.4
123.04556	0.6
125.02460	1.9
133.02014	0.6
133.02951	4.1
134.03775	0.3
135.04529	0.3
137.02446	1.5
138.02817	0.6
139.00352	0.3
141.01924	0.4
149.02454	1.4
150.03152	0.3
151.00380	3.9
151.03984	0.6
161.02486	0.6
163.04027	0.7
165.01825	0.3
166.66704	0.4
167.03508	0.4
169.01437	0.9
171.04546	0.4
175.03967	2.6
177.01941	1.1
177.74419	0.3
185.06061	0.5
187.04027	0.6
197.06137	0.4
198.03227	0.4
199.03993	1.4
200.04683	0.3
201.01883	0.6
203.07085	0.5
211.03976	0.4
213.05615	0.5
214.55034	0.3
215.03532	0.6
217.05048	1.0
223.04495	0.9
227.03445	1.2
239.03407	0.5
241.05083	0.7
243.03030	0.4
245.08133	0.4
255.02948	1.2
256.03766	1.5
257.04544	0.5
284.03259	17.0
285.04031	100.0
286.04349	5.2
289.07220	0.7
313.06766	0.3
327.05063	0.8
469.19965	0.3
533.25934	0.4
593.15051	55.7
594.15454	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	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.18413	1.4
79.95750	0.4
80.96534	0.6
88.48331	0.2
91.94296	0.2
94.98116	0.2
95.11124	0.2
128.36011	0.2
153.54106	0.1
220.90840	0.2
285.23450	0.2
561.78705	0.2
593.26166	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.05450	0.9
108.08036	0.2
115.45760	0.2
123.34340	0.2
129.55551	0.2
142.41406	0.2
178.35954	0.2
183.20160	0.2
487.93851	0.3
546.72589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87055	0.8
59.01377	25.1
61.98829	31.7
63.99249	0.9
64.83591	0.7
68.98396	0.7
69.03446	0.9
71.01384	0.7
71.56451	0.8
72.41085	0.6
78.95905	13.4
97.48817	0.7
98.19925	1.6
125.02473	1.0
152.99553	5.4
168.04292	3.1
179.14455	1.2
189.66196	0.7
195.13887	10.7
196.14594	1.5
205.12369	1.1
208.14824	0.8
211.13333	1.8
223.13382	9.4
224.06952	2.0
228.13744	1.5
229.50533	0.8
242.07979	4.0
256.13223	1.3
275.20163	6.3
293.21213	100.0
294.21542	6.2
307.22815	1.0
447.21677	1.9
455.46808	0.8
459.18390	0.9
518.28839	79.8
519.29053	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	592.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.6
59.01378	20.6
61.98830	50.1
64.70386	1.2
68.14171	1.0
69.14013	11.3
71.01384	1.6
73.15182	1.0
78.95903	25.6
79.95734	2.2
80.96522	3.6
81.06810	1.0
89.05244	1.1
122.98505	2.1
123.04476	2.2
135.04518	1.2
147.08069	1.1
150.03217	1.7
151.03967	2.5
152.99568	6.0
168.04306	5.1
179.14349	1.2
195.13910	9.4
205.08643	2.0
223.13351	6.8
224.06903	11.2
225.00601	1.4
231.06665	5.5
242.08040	3.2
249.07527	1.4
263.09262	2.4
275.20139	4.1
293.21225	50.6
294.21472	3.7
307.22620	1.1
365.10254	4.5
383.11209	2.5
397.12851	1.8
406.20825	1.1
411.34268	1.1
447.21320	2.9
449.21896	1.2
515.57385	1.2
518.28870	100.0
519.29272	10.1
529.17529	1.7
532.30432	1.1
532.71246	1.2
561.19702	2.2
593.26160	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	592.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11751	0.3
59.01376	0.5
61.98830	9.3
67.41798	0.2
70.79877	0.6
71.01404	0.4
76.53682	0.2
84.79805	0.2
87.35405	0.3
104.05080	0.5
106.06624	100.0
107.06968	2.3
125.02457	0.3
150.05602	81.8
151.05942	2.3
182.05246	0.3
194.04578	32.3
195.04962	1.5
223.75240	0.2
443.84726	0.3
548.21796	0.6
592.20300	12.1
593.20923	1.3
603.74335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43978	0.3
59.01379	0.8
61.98830	100.0
69.21114	0.9
69.21529	2.0
71.01406	0.4
72.34319	0.3
78.95896	0.4
82.95409	0.6
83.40717	0.3
88.98799	0.4
93.03452	0.4
93.93339	0.3
114.75499	0.3
123.04525	0.4
125.02435	0.7
135.04482	0.5
137.02437	0.5
149.54312	0.3
151.00421	0.5
171.10268	0.7
179.03651	0.4
182.28352	0.3
201.11305	0.6
203.28993	0.3
252.42564	0.3
285.04004	0.4
370.23474	0.3
593.25977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46241	0.2
61.98830	100.0
67.06551	0.2
69.44276	1.3
69.44685	0.5
98.20707	0.5
121.02956	22.3
123.04471	0.4
149.02431	0.3
150.03267	1.0
151.04068	1.3
163.07671	0.8
165.01944	1.1
175.04016	0.8
176.01241	0.3
177.01974	0.6
181.06674	0.4
185.77960	0.2
186.09776	0.3
187.07706	0.5
201.01953	0.3
204.07994	0.5
205.08739	0.7
209.04553	12.5
217.05121	0.3
225.05531	0.5
226.64853	0.3
231.06609	2.7
232.07402	0.9
259.06198	0.6
260.06998	0.6
289.64853	0.3
313.07349	0.4
355.11911	0.3
365.10242	5.1
366.10779	0.4
374.04022	0.3
383.06757	0.4
383.11383	5.4
383.24652	0.3
384.11829	0.6
417.09985	0.2
436.96939	0.3
438.80148	0.3
505.11676	0.8
529.17212	2.7
549.10327	1.9
593.12994	2.3
606.93787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85463	1.5
59.01373	6.2
59.63811	1.6
61.98829	100.0
65.00329	5.8
65.63840	2.3
69.32156	16.1
71.01389	4.5
78.95895	6.1
79.95740	12.2
80.96512	16.7
85.02952	2.5
87.00901	2.7
94.98095	7.1
98.19956	4.4
121.06612	4.4
122.97534	2.4
123.04498	2.4
125.02481	3.7
135.04565	2.8
145.06567	2.6
148.99113	2.3
150.03247	3.2
151.04013	12.5
152.98642	2.2
158.89513	2.0
163.00314	2.0
163.07584	4.1
164.98616	3.2
165.01788	2.3
171.10313	2.7
175.03912	2.6
177.01932	4.6
187.07614	5.5
195.13898	2.1
203.03409	3.3
205.08734	9.8
209.11980	2.1
217.05148	2.1
225.00757	5.8
231.06610	24.5
232.07339	7.3
259.06039	7.2
293.21255	11.3
297.09778	2.1
309.04190	2.8
310.04880	2.0
365.10263	45.2
366.10660	4.3
383.11310	18.3
431.13898	1.8
491.08173	1.9
518.28839	18.0
529.17059	32.6
530.17554	3.6
540.35748	2.1
593.26306	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
61.98831	100.0
69.44016	0.4
69.44418	2.1
73.87675	0.3
78.95921	1.2
86.71151	0.3
88.92038	0.3
113.09733	0.6
117.51771	0.3
121.02961	4.0
123.04517	0.6
133.02937	0.4
150.03247	0.6
151.00362	0.5
151.04039	1.5
163.07692	0.5
169.41872	0.3
177.02042	0.3
205.08739	0.9
209.04515	2.7
220.62721	0.3
231.06583	1.9
232.07426	0.8
259.06216	0.5
260.06888	0.5
293.21164	1.6
355.12045	0.4
365.10294	5.1
366.10373	0.5
372.33862	0.4
383.11377	5.7
384.11847	0.6
440.15543	0.4
518.28827	2.5
529.17340	3.2
570.93823	0.4
593.13354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01385	1.4
59.86702	0.7
61.98821	2.1
67.77851	0.7
68.52304	0.7
68.99813	1.1
69.03452	8.6
69.36800	0.7
71.01378	2.0
71.05017	2.6
80.96515	0.9
83.05012	0.7
91.37230	0.6
97.06566	1.5
98.19853	1.2
100.64342	0.6
109.02926	0.7
109.06566	0.8
123.08156	1.5
125.09762	3.9
137.09627	0.7
149.09790	1.0
151.11273	6.0
153.12840	1.8
161.09732	7.8
163.11214	0.8
179.10779	27.4
180.11093	0.8
181.12337	0.9
183.13867	1.1
185.11829	1.1
195.13882	7.2
197.11827	78.7
198.12183	3.0
209.11812	1.1
211.13474	0.9
223.09778	5.6
223.13362	4.6
225.11317	1.1
241.10811	11.0
242.11105	0.7
275.20123	2.7
293.17920	1.6
293.21231	30.8
294.21561	1.4
297.13437	8.4
315.14474	16.7
316.14786	1.3
416.04291	0.7
418.10431	0.7
503.07089	0.7
591.35394	100.0
592.35645	14.4
595.91467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98830	100.0
66.02212	0.2
70.88819	0.4
71.01395	0.3
89.66225	0.2
96.35994	0.2
121.02961	0.4
121.06622	0.3
123.04546	0.3
125.02451	0.2
135.04539	0.3
150.03236	0.8
151.00398	0.2
151.03989	1.5
163.07655	0.3
171.82935	0.2
175.04089	0.4
177.01895	0.3
187.07690	0.4
203.07195	0.3
204.07968	0.6
205.08710	0.7
231.06615	2.1
232.07393	0.5
233.08072	0.2
239.82338	0.2
244.13904	0.2
259.06168	0.6
260.06848	0.5
355.11832	0.4
365.10287	4.8
366.10736	0.3
367.47272	0.2
383.11353	5.1
384.11960	0.6
529.17255	2.7
529.72260	0.2
602.96246	0.2
606.68085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1509
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
57.03444	3.2
59.01369	1.7
61.98829	26.0
63.29258	0.6
69.03455	1.3
70.66254	1.3
71.01387	0.9
71.05012	1.2
79.31041	0.7
81.03447	2.6
83.01389	5.2
93.03458	2.5
95.01379	2.0
95.05033	2.6
96.96004	0.8
97.02948	7.5
105.03457	1.3
107.05018	0.9
108.02173	1.9
109.02953	35.9
113.02458	0.7
115.23639	0.7
118.85902	0.6
120.52436	0.7
121.02973	4.0
122.03685	1.4
123.04526	20.7
125.02448	16.7
131.75209	0.8
133.02911	0.7
135.04515	3.6
137.02448	40.5
138.03038	1.3
139.04007	12.5
145.02931	1.0
146.03737	1.1
147.04503	3.2
149.02437	25.1
150.03221	2.2
151.04005	19.1
159.04514	3.6
160.05328	1.3
161.02458	5.9
161.06075	4.3
162.03123	1.6
163.03983	2.6
164.01151	3.0
165.01898	4.3
167.03490	2.5
173.06067	1.6
174.03181	1.3
175.04007	3.1
175.07643	1.4
176.01137	3.5
177.01991	4.7
177.05582	1.0
178.02715	2.6
179.03465	7.8
185.06099	1.8
187.04019	5.2
188.04797	3.5
191.03506	5.8
192.04225	0.9
196.05359	0.8
197.06055	2.1
199.03923	0.8
201.05492	1.3
202.04420	0.7
202.06371	2.4
203.03525	1.4
203.07140	13.4
205.05063	7.9
212.04738	0.8
213.05580	5.5
215.07117	29.3
216.07471	1.1
217.05070	1.2
221.08228	3.9
227.07117	1.6
230.05920	0.7
239.07172	1.6
245.08180	17.5
246.08653	1.1
247.05888	1.3
249.11266	1.8
255.06403	0.8
257.08194	7.8
271.06033	1.0
283.06253	1.7
287.05890	0.8
289.07175	100.0
290.07526	5.4
301.07159	78.0
301.10791	1.4
302.07370	3.8
439.10391	20.9
440.10757	1.9
465.08368	0.9
514.17474	0.8
547.15741	1.8
591.14905	15.0
591.23523	0.8
592.15601	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2612
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.31147	0.6
65.54640	0.6
71.50042	0.9
72.67061	0.7
79.10735	0.7
80.89227	0.6
88.01290	0.8
106.53716	0.9
149.47169	0.8
192.77130	0.7
285.05981	0.8
393.19937	0.7
443.22296	2.1
445.19775	1.4
456.23267	1.3
458.20929	1.0
459.21832	2.6
471.26001	2.1
472.22882	1.1
473.23538	1.3
482.21149	1.8
485.19781	1.6
487.25607	4.0
497.23715	3.6
499.21368	4.1
500.22174	13.1
501.22632	1.9
504.21298	1.2
513.23303	1.0
515.24493	100.0
516.24829	16.4
519.23956	1.2
559.23596	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	590.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02299	0.4
55.99843	0.4
59.01377	0.4
61.98829	100.0
71.01407	0.4
71.51208	0.8
79.87553	0.4
96.28656	0.4
105.11543	0.4
130.78932	0.4
145.41733	0.4
171.10309	0.8
172.10619	0.4
209.11673	0.5
211.96640	0.4
271.33081	0.4
362.73904	0.4
532.34473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.3
59.01373	2.7
71.01369	3.6
71.51611	3.3
75.00858	2.2
77.26913	1.7
82.31075	1.8
83.01384	3.1
85.02930	2.8
85.83910	1.7
93.03468	2.9
93.88705	1.9
95.01373	3.4
96.96035	2.6
97.02931	3.4
99.00867	19.0
102.85233	1.8
108.02162	2.0
109.02953	15.3
111.00878	12.7
113.02441	4.1
121.02917	3.6
123.00879	26.6
123.04539	4.4
123.20191	1.8
124.01681	2.3
124.22769	1.9
125.02447	100.0
127.00350	3.7
133.02942	7.3
135.04529	3.3
137.02428	8.0
139.00391	24.9
139.03963	3.3
140.01117	4.4
141.01942	49.5
145.02937	2.9
147.04482	4.5
149.02417	6.4
150.03210	3.6
151.00363	16.9
151.03993	6.1
152.01085	7.0
153.01933	37.3
159.04550	2.9
161.02432	46.0
161.06108	2.3
162.03162	4.5
163.00325	7.0
163.03969	5.8
164.01147	5.1
165.01930	5.1
171.04486	2.2
173.02483	5.4
174.03143	4.1
175.03983	20.2
176.04559	2.8
177.01938	11.9
178.99846	2.5
180.00540	5.6
181.01387	3.8
187.03978	5.1
188.04735	2.2
189.01949	4.2
189.05510	5.0
191.03452	3.6
199.03989	5.4
201.01926	11.0
201.05550	3.1
203.03503	9.2
205.05099	3.0
212.04893	2.2
213.05536	3.1
215.03477	7.7
217.05061	11.7
227.03471	3.6
229.04970	3.2
231.02850	3.0
231.06508	2.2
241.05017	4.2
243.02942	11.0
245.04585	3.8
255.02884	3.2
257.04510	7.4
258.01675	4.0
259.02432	21.9
259.06186	2.1
271.02457	6.8
272.03201	5.2
285.04019	20.1
287.05557	3.5
289.03613	2.7
289.07031	3.4
298.01074	2.8
301.03629	2.7
303.05084	74.9
304.05524	4.6
307.31219	2.2
313.03159	1.9
343.04532	2.0
395.07755	2.2
403.04486	3.0
411.07080	2.5
421.05548	27.7
422.06195	7.6
423.07236	20.2
439.06696	38.5
440.07272	7.5
441.08112	2.7
450.05981	3.4
465.08035	3.1
489.99011	2.0
591.11267	8.1
591.19574	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	590.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.07785	1.2
57.03445	3.0
59.01381	11.8
61.98819	5.0
65.03954	1.6
67.01881	1.3
69.49696	7.8
71.01382	6.1
72.18255	1.1
81.03472	2.0
82.02975	4.5
83.01391	11.1
83.05038	2.0
85.02969	1.4
89.02437	4.6
93.03454	5.1
95.01392	2.9
95.05035	2.0
96.95998	1.5
97.02956	10.6
97.06585	2.8
101.02424	3.3
107.05026	4.8
108.02160	3.2
109.02224	2.3
109.02950	40.1
113.02458	2.2
117.03424	1.5
119.05006	2.3
121.02962	9.9
121.06578	5.0
122.03724	3.9
123.00855	1.7
123.04520	27.6
124.01681	1.4
124.04050	3.0
125.02388	6.3
131.05017	2.5
133.02925	3.1
134.06122	2.6
135.04512	5.2
136.07666	2.0
137.02428	10.0
139.03986	7.0
143.05000	1.9
145.02980	2.7
146.03745	2.9
147.04510	2.4
149.02443	15.6
149.06068	2.8
150.03224	1.5
151.03996	26.5
159.04478	5.5
160.07707	3.9
161.02438	24.3
161.06017	9.8
162.03177	5.1
163.00352	2.7
163.03995	22.5
164.04718	3.9
165.01872	4.9
165.05565	21.3
167.03519	2.4
173.06017	2.3
174.03207	1.4
175.03999	9.8
176.01085	1.2
176.40256	1.3
177.01862	2.0
177.05566	5.9
178.08611	1.7
185.06139	2.6
187.04028	5.8
188.04825	3.4
189.01877	2.0
189.05504	2.1
190.02739	5.5
191.03496	9.9
201.05554	3.6
202.06354	1.2
202.08716	2.1
203.03525	6.6
203.07124	9.0
204.04245	7.0
204.06638	4.9
204.10254	8.8
205.05037	25.9
211.07651	1.2
213.05629	3.1
214.06204	1.9
216.10231	2.8
217.05086	3.1
218.05843	1.7
219.06602	1.3
220.09695	2.1
227.07063	1.6
229.05063	2.4
229.08685	4.2
231.02940	4.9
241.08722	1.5
242.08246	4.2
245.08119	2.7
246.07730	1.7
247.06099	9.9
248.09175	1.7
253.08759	1.3
260.09247	2.2
271.09717	5.4
273.03940	2.8
283.09592	1.6
286.07498	1.4
289.07138	5.4
297.07635	1.5
301.07050	1.3
315.08755	33.4
316.09100	2.0
324.12308	3.1
327.08701	44.0
328.09137	2.4
340.15503	4.7
341.06476	1.7
348.12500	1.8
366.13388	14.4
384.14490	86.5
385.14746	8.3
410.12436	100.0
411.12643	9.7
428.13361	3.5
546.19464	2.8
590.18732	53.7
591.18585	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	588.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98830	100.0
68.82809	0.2
69.98655	0.2
70.63825	0.2
71.01388	0.4
74.67611	0.2
77.86938	0.2
84.10339	0.2
85.02975	0.2
87.62518	0.2
89.02441	0.2
93.03466	0.2
99.00892	0.7
100.01234	0.2
111.00915	0.4
125.02458	0.7
127.04028	1.2
128.04401	0.4
137.02464	0.4
151.00348	0.4
153.01920	0.3
167.03519	0.3
169.27150	0.2
171.03001	1.3
171.04251	0.2
172.03329	0.4
179.03589	0.3
233.01672	0.2
385.74194	0.2
525.23810	0.3
588.20477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03433	0.7
59.01378	5.6
61.98831	8.2
67.01883	1.5
68.99825	0.6
69.03448	0.7
71.01379	6.9
71.51810	0.5
72.99300	1.3
73.02946	2.4
79.01888	1.6
80.91701	0.6
83.01376	2.6
85.02958	3.3
86.02470	0.6
86.14758	0.4
87.00872	0.9
88.98811	0.8
89.02446	0.6
95.01389	2.7
95.05033	0.4
97.02959	1.4
99.00886	1.3
101.02448	5.5
107.01393	4.0
109.02951	2.0
110.00151	0.5
111.00880	3.6
113.02423	1.6
115.79238	0.3
121.03001	0.4
123.00888	20.4
123.04469	1.8
124.01683	0.9
125.02448	17.3
126.02808	0.4
127.00357	1.5
127.04011	0.7
132.04561	2.9
135.04416	0.6
136.98787	1.8
137.02451	1.8
139.00374	9.5
139.04005	0.7
140.01178	4.8
141.01982	2.1
144.04549	0.9
149.02385	0.5
151.00366	14.1
151.03978	1.2
153.01927	1.0
155.03468	0.7
157.07692	1.1
161.02423	0.7
161.04591	0.5
161.06084	0.5
162.88321	0.3
163.04024	0.9
164.01093	0.5
165.01859	0.5
166.02708	0.7
167.03441	0.5
168.00644	4.4
169.01425	16.9
171.10254	2.6
175.03961	0.7
177.01900	0.9
177.05583	0.4
179.03479	1.2
199.09766	1.6
203.07124	1.0
205.05002	0.7
219.07751	1.1
245.08128	1.0
247.06117	0.5
253.09431	0.5
289.03989	0.6
289.07181	9.2
290.07452	0.6
291.18317	0.5
297.06229	1.4
299.13968	2.1
315.08755	0.7
369.13477	2.2
589.24982	100.0
590.25323	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	590.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62398	1.2
57.03446	2.2
59.01377	9.6
61.98845	6.9
69.03452	1.6
69.57854	2.1
69.58259	4.8
71.01389	5.8
71.76084	1.2
79.05531	2.0
81.03448	2.1
82.02972	4.0
83.01380	10.6
83.05011	1.5
85.02969	2.4
89.02423	4.1
93.03448	4.5
95.05014	2.4
96.95955	1.7
97.02951	9.6
97.06585	1.9
100.04041	1.8
101.02441	2.5
107.05005	4.6
108.02148	2.5
109.02950	37.3
113.02429	1.6
119.03478	1.4
119.05021	2.2
121.02956	8.1
121.06615	2.5
122.03700	3.0
123.00851	1.7
123.04529	27.2
124.01645	1.7
124.04039	2.2
125.02446	7.0
133.02940	2.9
133.06596	2.0
134.06139	3.7
135.04488	4.9
136.07663	1.3
137.02467	7.4
139.04066	5.9
145.02951	2.6
146.03763	3.0
146.93201	1.3
147.04488	2.2
147.08063	1.1
149.02441	16.6
149.06079	2.5
150.03188	2.1
151.02888	1.7
151.04012	24.3
159.04510	7.0
160.05234	1.7
160.07623	3.0
161.02438	22.5
161.04875	1.3
161.06094	10.5
162.03177	4.6
163.00383	2.7
163.04008	21.2
164.01123	2.2
164.04619	2.2
165.01903	3.3
165.05573	17.8
173.06122	1.3
175.03998	8.9
175.07736	1.5
177.01915	2.5
177.05550	6.4
185.06013	1.8
187.03990	6.2
188.04726	2.2
189.05469	2.2
190.02673	5.4
191.03465	6.3
201.05574	3.1
202.08714	2.4
203.03500	3.0
203.07108	8.0
204.04298	6.3
204.06609	5.3
204.10289	7.3
205.05055	28.3
206.05229	1.9
213.05579	3.5
216.10263	2.9
217.05022	4.0
218.05748	2.4
220.09679	1.7
229.05009	4.0
229.08670	3.9
231.02928	4.4
231.06523	1.9
242.08231	2.2
245.08188	1.8
247.06047	8.6
248.09210	1.8
255.06619	1.8
258.01895	1.3
271.09671	6.9
273.03897	1.5
274.10562	1.4
283.09671	1.3
289.07150	6.5
315.08713	34.3
316.08951	3.7
324.12274	1.5
327.08685	43.9
328.08984	3.8
340.15417	3.8
348.12515	2.3
366.13464	16.2
384.14499	91.4
385.14764	7.6
410.12427	100.0
411.12787	10.5
424.89120	1.4
428.13434	3.4
429.13983	1.3
429.34485	1.3
546.19684	4.0
590.18689	51.0
591.19244	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.1
59.01368	3.2
61.98827	7.9
62.82961	1.1
68.11736	1.0
69.48640	2.3
69.49044	5.6
80.02637	1.3
83.05026	6.8
84.69656	1.1
90.76866	1.2
97.06589	11.8
98.20622	2.6
109.06570	2.7
111.08160	43.9
112.08448	1.3
123.08147	4.1
125.09720	84.0
126.10043	2.3
169.08731	2.9
173.08174	33.6
181.12189	1.1
187.09752	69.3
188.10001	1.8
190.89859	1.2
197.11829	2.5
211.13361	1.3
243.12416	1.7
247.11812	6.4
253.09512	1.2
261.13403	10.4
261.55286	1.2
280.88293	1.1
291.19623	5.0
417.21347	18.9
418.21637	2.3
431.22952	10.4
587.30725	100.0
588.30902	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	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61032	1.7
51.34119	1.4
59.01381	17.2
61.98828	17.0
69.18140	2.1
69.18543	13.1
71.01382	6.8
79.92771	1.4
83.01395	1.7
85.02936	1.6
89.02434	3.6
101.02428	6.4
108.36219	1.4
113.02452	3.0
114.98694	1.5
115.92786	1.4
125.02438	1.8
134.52602	1.4
161.04614	2.6
163.06110	2.9
165.12842	15.4
171.10292	16.8
197.11778	14.2
197.72835	1.5
204.29997	1.4
211.13292	2.5
212.43430	1.6
247.20728	7.6
253.09283	17.6
273.18567	3.5
291.19647	100.0
292.20142	9.6
328.98883	1.5
527.28241	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	587.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01381	1.4
59.75839	0.3
60.17167	0.3
61.98827	11.7
65.00337	1.2
66.36530	0.3
69.42262	2.2
71.01372	0.7
81.03455	11.4
83.01379	4.3
85.02989	0.4
87.00902	0.4
93.03457	8.3
93.04027	0.6
95.01376	0.3
95.05021	0.6
99.04482	0.5
107.01399	1.3
108.02212	0.3
109.02950	1.6
111.04494	0.3
113.02415	0.4
119.05022	10.3
120.05392	0.4
121.02940	0.9
122.03716	0.6
123.00890	1.1
123.04525	31.4
124.04841	0.9
125.02440	15.5
126.02782	0.5
135.04489	1.8
136.01691	0.3
137.02470	3.1
139.00325	0.4
148.58900	0.3
149.02415	1.0
151.00351	3.4
151.04015	0.4
152.00995	0.3
153.01927	2.1
153.05618	0.4
163.04015	0.6
164.04672	0.3
165.01917	10.9
165.05577	1.6
166.02678	0.5
167.03490	70.0
168.00662	0.4
168.03839	2.0
169.01440	2.3
175.04031	0.8
177.01881	0.5
179.03494	8.5
179.07112	0.7
180.04288	5.9
187.07712	0.6
189.05598	2.1
192.04213	0.4
195.02928	0.4
195.06612	7.9
210.05298	1.1
211.70673	0.4
225.05675	0.6
225.07701	6.0
229.08604	0.7
248.49704	0.3
255.06528	0.7
272.04858	0.4
273.07672	100.0
274.05173	0.7
274.08014	5.8
274.10919	0.5
285.11316	0.3
302.59091	0.3
313.05652	5.5
329.19360	0.3
340.76776	0.3
361.16589	3.0
369.12973	0.3
369.58212	0.3
382.46085	0.3
420.97131	0.3
422.12573	0.4
423.12787	0.8
524.21948	1.7
539.22876	2.4
551.17694	1.0
587.13306	1.4
587.27026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98829	25.9
69.31752	3.6
69.32179	1.9
71.01392	3.4
73.02954	0.7
83.01357	0.8
85.02956	1.9
93.03439	1.1
95.01390	1.5
101.02448	1.6
107.01374	2.9
111.00826	1.9
113.02441	1.2
115.66631	0.6
116.92869	0.8
123.00883	11.2
123.04510	0.7
124.01690	1.1
125.02447	12.7
126.02702	0.6
136.98805	1.2
137.02431	2.4
139.00400	3.8
139.03932	0.6
140.01135	2.4
141.01860	1.1
150.03238	2.3
151.00366	11.4
152.01080	0.6
163.03999	0.8
165.05580	2.0
168.00607	2.4
169.01428	15.8
195.06459	0.9
215.39354	0.6
271.04599	0.8
280.73898	0.8
285.03967	0.8
287.89737	0.6
295.34872	0.8
313.05484	1.6
391.17725	1.2
431.11850	2.4
523.21808	100.0
524.14374	0.8
524.22125	13.1
539.22876	1.4
586.25873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96370	0.3
59.01370	0.5
61.98830	100.0
68.57870	0.4
69.40623	0.8
69.41031	1.5
71.01379	0.4
74.75955	0.3
88.98808	0.4
96.96017	0.4
98.20747	0.4
109.02975	0.8
121.02982	1.3
122.03329	0.4
125.02463	0.9
131.51567	0.3
137.02385	0.4
150.03224	0.3
155.03563	0.5
160.04083	0.7
165.01947	0.3
165.05573	0.3
199.02617	0.4
231.61427	0.4
236.09534	0.3
245.99210	0.3
289.07272	0.7
337.42813	0.3
407.07687	0.8
515.21936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83473	0.1
57.29360	0.1
59.01378	0.3
61.61247	0.2
61.98828	100.0
62.98521	0.2
63.99252	0.4
64.83770	0.2
69.15751	1.7
88.98822	0.3
108.02232	0.2
121.02987	0.4
125.02460	0.6
126.02814	0.2
134.03677	0.2
137.02425	0.4
150.03270	0.4
151.00366	0.2
153.02034	0.2
165.05611	0.4
169.01254	0.2
211.05952	0.2
216.05252	0.2
228.94273	0.2
274.32681	0.2
290.38940	0.2
313.17358	0.2
315.23920	0.2
385.93201	0.2
586.25775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
61.98829	100.0
62.98528	0.2
63.99270	0.4
65.00294	0.1
71.01386	0.2
71.52061	0.1
85.03026	0.1
88.98810	0.3
89.02458	0.1
108.02151	0.1
109.02960	0.2
111.00906	0.2
113.02415	0.1
121.02957	0.4
123.00913	0.1
123.04555	0.1
124.07539	0.1
125.02435	0.6
127.04028	0.3
134.03786	0.2
137.02475	0.4
149.02454	0.2
150.03232	0.3
151.00391	0.5
152.01056	0.1
153.01901	0.3
165.05597	0.2
169.01358	0.2
186.38107	0.1
193.05110	0.1
195.06679	0.2
201.11279	0.2
216.05174	0.3
272.81262	0.1
285.04221	0.2
286.04520	0.2
331.76749	0.1
389.25635	0.2
424.67270	0.1
523.21893	0.3
586.26190	0.9
587.19672	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98829	52.6
63.99249	1.2
67.37420	0.8
71.01376	3.1
71.18414	1.4
79.01890	1.1
83.01382	1.2
85.02963	1.3
95.01385	1.4
96.96027	0.8
97.02962	1.1
101.02455	2.4
107.01399	3.6
109.02923	1.0
111.00893	1.7
113.02471	1.5
119.05084	0.7
123.00894	8.8
124.01702	1.1
125.02451	14.1
136.98782	1.1
137.02475	1.6
139.00388	3.7
140.01132	3.1
145.02957	1.5
150.67029	0.7
151.00352	8.9
151.03999	0.9
152.00990	0.8
153.01939	1.6
163.04004	1.3
165.01904	5.1
165.05516	1.8
168.00624	2.5
169.01414	17.7
170.01790	1.0
177.09001	0.7
179.03506	1.1
180.04236	2.5
195.06609	3.8
210.05249	1.0
216.05017	0.9
224.85170	0.8
225.07726	2.0
313.05655	2.4
314.06064	1.1
361.16602	2.5
440.09244	1.4
500.07672	0.7
523.21826	100.0
524.22302	9.9
539.22906	4.9
551.24780	1.3
586.13275	4.7
586.25500	5.1
587.13757	0.9
587.25671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79437	0.3
59.01375	0.5
61.98830	100.0
70.71648	0.5
72.17311	0.2
93.03470	0.3
107.01385	0.3
109.02943	0.3
119.05058	0.9
125.02455	1.0
135.04434	0.3
137.02467	0.3
149.90256	0.3
150.03259	0.6
151.00412	1.6
151.04002	0.3
152.00798	0.3
165.01894	0.3
165.05553	0.5
169.01360	0.3
177.01915	0.4
177.05592	0.3
195.06651	0.7
209.64351	0.3
241.05106	1.1
242.05496	0.6
244.03459	0.3
271.06039	1.5
272.06430	1.9
289.07257	0.5
290.71753	0.3
306.18762	0.3
310.50565	0.3
313.05646	0.3
313.80814	0.3
398.95618	0.3
423.19717	0.4
424.19519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72684	0.3
58.17785	0.4
59.11430	0.5
60.79757	0.4
61.98829	4.7
63.70843	0.4
69.24306	3.7
81.38368	0.4
93.03451	3.7
103.67752	0.5
105.03422	0.6
108.02183	1.0
109.02934	1.1
121.02964	4.8
122.03747	13.5
123.04523	1.2
125.02448	1.9
133.02956	1.5
136.01656	1.5
137.02484	0.4
149.02435	17.8
150.03224	96.5
151.03508	2.9
152.01158	0.9
153.01953	0.5
160.01678	0.5
164.04810	3.0
165.05565	100.0
166.05878	3.5
167.03621	0.6
169.01390	0.9
177.71233	0.4
179.62375	0.4
180.04297	7.2
195.06618	70.5
196.07037	2.9
214.28731	0.4
229.08658	0.4
242.09506	0.7
257.11816	0.7
270.09030	1.1
285.11331	1.7
286.08475	0.8
289.07172	0.4
295.28397	0.4
298.08429	1.3
299.09192	1.6
311.09036	0.7
313.10675	0.6
314.07916	2.0
324.10040	0.6
325.10895	0.8
326.07858	1.0
329.10281	5.4
330.10712	0.6
341.10324	5.9
342.10657	0.5
344.12601	6.1
345.12943	0.8
345.81192	0.5
356.12619	2.8
359.14978	18.6
360.15216	1.9
371.14972	14.7
372.15311	1.4
507.20010	0.7
537.20923	1.9
585.15521	0.7
585.24646	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	585.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77656	0.6
57.03457	3.0
59.01381	6.5
61.98828	29.8
65.00311	1.5
67.01887	0.8
68.99848	0.6
70.80585	1.5
71.01373	5.3
72.99269	1.0
73.02943	0.8
75.00887	0.5
81.03447	1.8
83.01376	1.1
85.02960	1.2
85.60188	0.5
85.71944	0.6
87.00845	0.7
89.00300	0.6
89.02438	2.5
91.01888	0.6
93.03450	0.8
95.01385	2.6
97.02966	0.9
99.00854	1.3
101.02426	2.8
102.05634	1.1
106.00595	0.9
107.01394	1.6
109.02942	1.9
110.00099	0.9
111.00874	2.6
112.98799	0.9
113.02435	2.1
119.05043	1.0
121.02952	27.8
122.00020	0.7
123.00897	6.8
125.02438	13.8
125.99579	1.1
127.00359	1.8
128.03534	3.0
130.08681	0.9
135.03000	1.7
136.98785	1.6
137.01445	0.9
137.02428	10.5
137.99527	1.2
138.03223	1.6
139.00397	3.1
139.03970	3.2
146.04579	0.6
149.02438	0.7
150.03223	0.9
151.00395	4.1
151.03993	1.1
152.01085	0.8
153.01933	2.7
153.05560	16.3
153.06741	1.1
153.96095	0.6
153.99129	0.8
154.02663	0.8
155.03470	2.1
165.01936	1.1
165.05548	1.5
166.99829	1.9
167.03519	0.8
168.00627	1.8
168.07701	0.8
169.01401	10.3
179.03499	0.9
180.04117	1.0
181.01414	9.4
181.04973	1.1
182.02206	6.0
183.02945	4.0
189.05545	0.9
193.05086	1.5
195.06580	0.7
196.03712	4.8
197.04536	48.3
198.04854	1.9
199.09555	0.7
211.02505	1.2
211.06068	4.9
221.32011	0.6
224.03226	5.6
225.04002	2.5
239.05589	30.2
240.05959	0.8
243.06615	1.7
269.06635	1.7
271.06097	1.0
284.05374	1.1
285.06192	1.5
299.07681	6.9
313.05591	5.3
314.05981	1.0
325.38110	0.6
413.23917	0.8
439.08841	13.0
439.14761	1.0
440.09326	0.9
452.25558	0.6
513.19537	0.9
524.35455	1.0
525.35486	0.7
542.28241	1.7
555.20691	0.7
570.23138	1.3
585.12280	8.3
585.25427	100.0
586.24786	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	585.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.5
61.83231	0.4
61.98829	3.8
65.00334	0.6
68.90818	0.5
69.34480	0.4
70.64919	1.4
71.04414	0.5
83.01405	0.5
93.03444	4.5
95.01395	0.8
95.05077	0.6
107.01423	0.6
108.02193	0.9
109.02999	0.6
121.02943	7.7
121.03752	0.7
122.03736	14.8
123.04524	1.6
124.01698	1.0
125.02444	4.5
132.02197	0.6
133.02963	2.4
135.04489	0.9
136.01668	1.6
142.42889	0.5
149.02437	35.3
150.03220	97.3
151.00359	1.1
151.03532	2.9
152.01140	1.0
153.05608	0.8
160.01656	0.7
161.02466	0.5
163.03998	0.6
164.04788	8.3
165.05560	100.0
166.05942	2.6
169.01431	1.3
178.99852	0.6
179.07092	1.2
180.04266	5.9
195.06621	64.7
196.06920	2.9
201.05435	0.5
215.06924	0.6
242.09418	0.8
243.06630	0.9
249.73190	0.5
257.11566	0.5
259.06088	5.5
269.04559	1.2
270.08951	2.2
271.09763	2.7
282.09012	0.7
283.09644	1.9
285.11307	2.0
287.05600	8.1
298.08356	1.4
299.09143	1.9
299.12549	0.8
301.10953	0.5
310.08466	0.6
311.09198	1.2
313.10660	1.3
314.07910	1.9
325.10828	1.0
326.07788	0.9
326.11380	1.2
327.08948	0.7
327.12350	4.0
328.09317	0.9
328.13062	8.3
329.10236	5.7
330.10916	2.0
341.10278	7.8
341.14056	1.3
343.11630	0.9
343.15414	1.3
344.12613	9.3
345.13422	3.1
355.11722	0.9
356.12616	2.7
357.13293	1.0
359.14978	23.3
360.15292	2.2
371.14990	16.0
372.15131	1.8
461.15659	1.4
463.17374	1.6
491.16562	0.6
492.17566	1.3
493.18478	0.7
507.20181	10.4
508.20560	0.6
519.19977	1.3
522.18750	1.1
537.21240	51.6
538.21570	5.7
541.87488	0.5
555.22150	0.6
585.12158	1.6
585.23553	2.8
586.23627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98827	4.0
69.34705	1.9
71.01394	1.1
73.02940	0.3
81.03453	0.3
85.02932	0.5
87.24294	0.2
89.02423	0.8
94.95738	0.2
101.02436	1.1
103.03990	0.8
109.90969	0.2
116.92858	0.3
119.03487	0.4
123.04532	0.5
124.01644	0.3
125.02422	1.7
149.02473	0.3
150.03180	0.7
153.01891	0.3
153.05550	0.2
163.06068	1.3
165.05568	0.8
167.03488	0.6
168.00583	0.6
187.06299	0.3
195.06615	0.3
217.06561	100.0
218.06894	5.9
271.19067	0.3
273.07751	0.5
307.10291	0.9
377.32614	0.2
388.15109	0.3
405.28204	0.2
565.24384	0.3
585.24872	1.5
613.63239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13912	0.4
57.03443	5.2
59.01358	2.0
61.98830	24.7
63.02397	0.8
65.00316	3.4
65.18676	0.4
71.01388	1.0
71.51869	0.9
81.03439	3.0
83.01382	6.4
84.72939	0.4
93.03468	3.7
96.96010	0.8
101.02498	0.6
107.01383	6.1
108.02177	1.5
109.02958	2.1
111.00864	1.1
113.02402	0.5
117.03483	0.4
119.05019	0.8
121.02962	0.6
123.00858	1.5
123.04507	2.6
124.01700	2.7
125.02444	47.2
126.02792	0.8
130.04201	0.5
131.04974	0.5
133.02939	1.8
135.04494	1.3
137.02464	2.1
138.03172	0.4
139.00356	1.2
139.17464	0.5
140.01167	0.8
142.58162	0.5
145.05089	0.5
145.06606	0.7
149.02502	0.9
150.03180	0.6
151.00365	13.3
151.04024	1.7
152.01141	13.4
153.01950	2.4
153.05582	0.8
156.05760	0.6
157.06667	1.0
158.03651	0.6
159.04495	1.3
163.04057	0.5
165.01906	2.0
166.02541	0.5
169.01427	2.2
169.06595	0.5
171.04524	0.7
172.05295	2.5
173.06081	6.7
175.04063	2.1
177.01912	1.8
177.05557	3.1
178.99849	6.0
179.03459	0.5
181.01379	0.5
187.04015	0.5
187.07617	1.0
195.06580	0.8
197.06197	0.5
199.03978	1.2
199.07602	1.0
200.04692	1.2
201.05591	3.6
203.03442	0.6
203.08961	0.4
213.05583	0.8
215.07111	8.1
217.04980	0.6
219.06429	0.6
225.05426	0.8
241.04929	3.1
241.08725	0.5
243.06616	5.4
259.06091	94.0
260.06375	5.7
269.04501	4.0
285.03973	5.1
286.04395	0.7
287.05597	100.0
288.05917	5.3
303.05075	5.6
314.89426	0.4
433.11496	0.7
450.80765	0.5
467.22928	0.5
523.21796	3.4
585.12427	4.0
585.25720	4.3
586.12024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98829	100.0
71.01400	0.3
87.00877	0.2
88.98831	0.3
98.46735	0.2
107.01392	0.2
107.37560	0.2
108.02216	0.2
109.02991	0.2
121.03004	0.6
123.00853	0.3
125.02460	0.8
126.79689	0.2
137.02484	0.3
150.03265	0.3
151.00418	0.4
151.03978	0.2
152.01126	0.5
159.91995	0.2
165.05565	0.3
167.03558	0.4
168.03912	0.2
169.01468	0.5
188.12134	0.2
208.79333	0.2
211.02402	0.3
212.51889	0.2
219.94189	0.2
244.14511	0.2
521.20367	0.4
541.13391	0.2
584.19763	0.7
585.12891	0.3
585.26031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.0
59.01389	1.8
59.34413	0.6
61.58001	0.5
61.98830	37.0
62.28053	0.5
65.00314	3.8
71.01382	1.2
71.52783	0.9
72.48983	0.5
76.52480	0.6
81.03461	3.2
83.01385	4.5
85.02939	0.6
89.02460	0.9
93.03453	3.9
95.01411	0.9
96.96035	1.1
98.95611	0.7
105.01977	0.5
107.01382	6.3
108.02208	2.8
109.02960	3.0
111.00859	1.2
119.05029	1.3
121.02969	1.0
123.00896	1.9
123.04523	3.4
124.01659	2.8
125.02446	49.8
126.02850	0.9
126.53142	0.5
131.05060	1.0
131.70171	0.6
133.02948	2.7
134.03751	0.8
135.04506	1.2
137.02470	2.7
139.00401	0.6
139.03986	0.8
145.02966	0.8
149.02464	0.8
150.03273	1.1
151.00368	15.1
151.04010	2.0
152.01147	15.3
153.01997	3.1
153.05605	0.9
155.05038	0.7
156.05817	0.6
157.06564	0.7
158.03738	1.3
159.04515	1.7
163.03958	1.1
165.01907	2.7
169.01463	3.4
171.04533	0.8
172.05269	2.4
173.06064	6.6
175.03963	3.6
177.01965	2.4
177.05571	3.9
178.99849	6.1
187.07541	0.7
199.03979	2.5
199.07703	1.4
200.04819	1.0
201.05493	2.7
213.05586	1.3
215.07126	7.2
217.05025	1.2
225.05618	1.3
241.04979	3.4
241.08730	1.2
243.06630	5.5
259.06100	91.8
260.06454	5.1
269.04492	2.6
272.06561	0.5
285.03989	6.4
287.05606	100.0
288.05966	5.7
303.05109	8.4
433.10980	0.9
523.21552	3.9
585.12366	3.5
585.25165	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	584.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.6
59.01377	3.0
61.98834	34.1
65.93116	0.9
69.25057	3.7
69.25479	5.1
71.01389	3.0
85.02940	1.6
107.01382	4.9
111.00910	2.4
113.02471	1.4
121.02927	3.7
122.03297	1.0
123.00919	4.9
124.01633	2.7
125.02452	30.4
137.02475	1.6
137.09727	1.5
139.00398	2.6
140.01103	2.8
141.01865	1.4
149.02348	1.8
150.03221	2.3
151.00349	4.3
152.01208	2.5
161.02406	1.0
165.05580	2.4
167.03490	4.0
168.00632	13.1
168.03857	1.3
169.01422	39.7
195.06677	1.4
199.03986	1.0
211.02483	66.8
217.05023	2.5
241.03403	1.5
259.06064	1.9
271.04584	100.0
272.04932	3.9
285.03903	2.3
313.05771	1.1
331.06702	28.9
421.29007	1.0
521.20288	60.3
522.20898	6.7
541.13391	1.1
567.11212	1.9
585.12634	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	584.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42521	0.3
53.29819	0.4
59.01393	0.9
61.98829	100.0
69.23320	0.4
71.01387	0.7
85.02942	0.5
120.77425	0.4
121.02985	0.4
122.03728	0.7
125.02470	0.6
137.02467	0.4
149.02464	1.2
150.03232	6.4
151.03589	2.0
165.05573	6.7
166.05894	2.2
188.08475	0.4
195.06624	4.7
196.06941	2.1
217.06575	21.5
382.43225	0.4
387.14783	0.4
388.15024	0.8
507.99634	0.3
567.28058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11231	0.2
59.01372	0.5
61.98829	100.0
71.01408	0.4
85.02957	0.3
107.01457	0.2
108.02221	0.3
109.02967	0.2
111.00898	0.2
115.45029	0.2
121.02958	3.9
121.03773	0.4
122.03304	0.7
123.00906	0.3
123.04562	0.4
125.02425	1.5
135.04491	0.2
137.02513	0.5
149.29947	0.2
150.03178	0.3
151.00378	0.5
151.04063	0.3
152.01183	2.5
153.01698	0.7
161.02470	0.2
165.07751	0.2
166.02661	0.2
167.03502	2.7
168.03880	1.0
169.01442	1.2
175.04033	0.3
176.04813	0.3
179.03601	0.3
180.08542	0.2
193.04881	0.2
211.02505	0.7
220.03682	0.6
221.04163	0.2
227.07175	0.2
236.03308	0.2
251.05643	0.7
252.06084	0.6
271.04675	0.7
313.05557	0.3
439.14420	0.3
521.20392	0.5
541.13849	0.7
584.22076	0.2
585.13074	0.6
585.25220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35986	0.2
60.51941	0.2
61.98832	100.0
74.47196	0.2
108.19473	0.2
122.03752	0.3
149.02478	0.8
150.03223	2.1
156.79222	0.2
165.05556	2.5
195.06641	1.7
359.15250	0.7
371.15170	0.5
507.20807	0.3
537.21320	1.5
543.27234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97258	0.3
57.03472	0.3
59.01374	1.0
61.98830	100.0
71.51775	0.4
93.57130	0.3
94.77323	0.2
96.95979	0.4
109.02959	0.6
120.69034	0.2
121.02974	0.4
123.04581	0.4
125.02435	1.6
137.02480	0.7
139.04030	0.4
149.02371	0.3
150.03175	0.5
151.00362	0.3
152.01141	0.5
153.01921	0.5
163.04015	0.4
165.05560	0.6
167.03497	0.6
169.01468	0.8
190.04134	0.3
195.06674	0.5
259.06137	0.4
283.16101	0.3
287.05646	0.5
307.86197	0.3
400.99112	0.3
585.25061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
61.01810	0.4
61.98829	100.0
65.13590	0.4
69.18073	4.5
71.01390	0.8
76.48298	0.6
86.52865	0.4
96.08414	0.4
121.02962	0.7
125.02451	1.7
128.18651	0.4
137.02463	1.1
138.01971	0.6
151.00343	0.6
156.89912	0.5
163.03958	0.6
165.05603	0.6
167.03464	0.9
169.01460	0.8
193.05070	1.0
257.04608	0.5
258.04959	0.7
270.08597	0.5
289.07220	0.5
294.02408	0.5
331.14487	0.7
342.14349	0.5
344.14932	0.6
377.71805	0.5
390.16348	1.0
391.16760	0.8
392.16522	0.7
584.24530	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	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.0
61.98829	59.8
70.99982	1.6
71.01376	2.4
72.99318	0.9
73.02982	1.3
74.04187	0.7
85.02953	1.1
89.02431	1.2
95.01413	0.9
95.57693	0.8
97.02938	1.5
101.02450	1.3
104.16046	0.8
107.01363	4.2
111.00897	2.4
119.05032	1.1
123.00869	7.3
123.04526	0.9
124.01678	2.4
125.02439	22.9
127.00359	0.9
136.98814	0.9
137.02437	1.8
139.00381	3.9
139.03934	0.9
140.01134	2.6
146.72359	0.9
150.94724	0.8
151.00349	4.4
153.05553	0.9
165.01913	0.8
167.03508	1.8
168.00647	11.1
169.01421	36.0
211.02470	59.5
212.02817	2.0
222.81587	0.8
241.03587	1.5
259.06067	1.2
271.04565	100.0
272.04868	3.7
313.05661	2.3
331.06689	33.3
332.07108	1.9
439.08636	2.1
521.20251	49.2
522.20575	4.2
526.19672	1.0
585.12433	3.4
585.25342	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	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.9
58.00601	1.1
59.01378	26.6
61.98830	65.6
62.57446	0.7
68.38357	0.8
71.01379	6.8
72.99340	0.9
76.01876	0.7
81.18002	0.8
83.01407	0.9
85.02955	2.4
86.02193	0.7
88.98825	2.1
89.02437	4.3
95.01402	0.8
96.96020	1.1
101.02441	3.2
107.21109	0.8
109.02926	2.1
111.00876	0.9
113.02454	2.6
116.92786	0.8
119.03558	1.0
121.02937	2.0
123.04514	1.8
125.02431	4.4
136.04030	1.6
137.02437	1.0
149.02367	1.3
150.03227	2.1
151.00311	1.3
151.03996	2.9
152.01114	1.5
153.01865	2.3
161.02432	0.7
163.03999	1.0
166.02676	2.7
168.00627	1.7
169.01384	1.8
176.04749	2.2
178.05055	1.7
181.08670	2.0
193.01376	2.3
195.03084	3.9
209.00879	4.6
229.53989	0.9
255.05135	8.6
280.40591	0.8
289.07251	1.3
297.14978	4.0
309.04672	0.8
341.14005	5.4
342.14105	1.1
495.53021	0.8
521.20264	100.0
522.20593	10.9
523.34711	1.0
524.35620	1.1
549.76471	0.9
584.24377	6.2
585.25671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62777	0.3
59.01363	1.4
61.98829	100.0
65.00344	0.4
69.51774	1.6
71.01409	0.4
79.98921	0.3
85.02923	0.3
87.04512	3.0
88.98833	0.4
117.03476	0.8
119.05029	1.4
120.05354	0.5
121.02928	0.3
122.02503	0.5
122.03736	0.3
123.04545	0.5
125.02464	1.0
137.02451	0.6
143.04652	0.4
145.02942	1.7
146.03349	0.6
149.02464	0.9
150.03270	2.3
151.00372	0.8
151.03635	0.5
157.96820	0.3
163.04005	1.9
164.04378	0.6
165.05576	2.9
166.05981	0.5
177.01974	0.4
195.06688	1.9
205.05161	0.4
212.61456	0.3
221.08220	0.3
247.06068	0.4
248.06564	0.4
306.07715	0.8
313.06131	0.4
355.08594	0.3
356.08536	0.4
371.11261	0.4
381.09915	0.7
382.10187	0.4
385.13065	0.7
386.13126	0.7
399.10672	0.4
400.11395	0.9
420.60107	0.3
435.22382	0.5
459.22116	0.3
523.27356	0.6
545.17023	0.5
546.17505	0.5
547.18481	0.9
582.21417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.62256	1.3
62.96405	1.8
71.01342	1.4
71.20428	1.4
71.49983	1.8
77.64855	1.3
78.95902	100.0
80.96495	1.6
91.43345	1.3
96.96944	3.3
97.44234	1.4
99.92565	9.0
102.08855	1.6
115.92078	32.7
116.92100	2.8
116.92860	28.7
137.80907	1.4
145.94374	1.2
150.97986	4.9
152.99571	31.8
153.96268	1.4
164.90437	2.5
171.00568	4.3
172.95512	9.5
178.88425	12.4
179.89223	29.3
180.89992	19.4
181.89807	1.6
194.87894	3.4
196.89459	37.2
197.89479	2.1
205.90808	2.7
206.91512	1.8
208.89578	2.1
234.91083	1.6
235.91765	7.6
236.92574	22.1
252.92023	3.7
255.23274	12.2
270.93259	1.9
278.93530	2.1
309.95520	1.7
435.12659	2.0
475.15369	10.2
476.16135	1.8
489.94095	1.6
492.16211	8.0
535.17523	5.2
547.17572	4.9
583.19788	86.1
584.19720	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	583.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16624	0.5
59.01362	1.2
61.98828	6.7
66.76950	0.5
69.37044	3.8
71.01374	1.4
85.02948	0.9
101.02415	0.6
108.02187	0.6
109.02954	2.3
116.92869	2.8
122.02777	0.5
123.00829	0.8
123.04507	0.8
124.01653	3.3
125.02430	7.9
135.04507	1.0
137.02444	15.0
138.03232	5.3
139.04012	6.8
140.01175	0.5
141.56882	0.4
145.02962	0.9
149.02417	0.8
150.03117	0.8
151.00423	1.3
151.04016	5.6
152.01161	0.7
152.04793	4.3
153.01984	0.7
153.05507	1.4
161.04718	0.5
162.03156	1.4
163.04004	2.4
164.04816	1.1
165.05553	1.7
166.02719	0.8
167.03502	0.8
167.07089	0.5
169.01448	0.8
170.02098	0.7
175.04019	1.1
176.04790	1.6
177.05553	4.1
179.03485	1.0
180.04259	4.3
180.07903	1.1
181.05069	9.5
184.03789	1.3
184.79346	0.5
188.04749	0.9
189.05595	0.7
190.06317	1.1
191.07130	1.5
194.05846	4.0
195.06633	16.2
196.06966	0.7
205.08698	0.6
206.05859	0.6
207.06612	3.5
208.07359	0.8
209.08252	3.4
237.07674	0.6
253.10805	0.8
259.06104	0.9
269.04504	1.8
287.05542	0.6
313.11148	0.6
331.15591	0.8
361.12845	4.8
361.16629	4.7
373.12900	0.9
375.14389	2.6
391.08969	0.6
391.14005	11.1
392.14209	0.9
406.16345	13.4
407.16504	1.2
421.18683	100.0
422.19064	9.4
583.24481	1.0
584.14282	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	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93026	0.3
59.01377	0.4
61.98831	100.0
71.49871	0.2
78.95930	0.4
82.21800	0.2
152.99576	0.5
182.50912	0.3
279.23312	2.1
280.23615	0.8
280.27307	0.3
281.23972	0.6
356.92108	0.3
504.31042	0.9
513.47693	0.3
552.39355	0.3
593.30963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33192	0.2
59.01380	0.6
60.75576	0.2
61.98829	100.0
64.23451	0.2
70.99006	0.5
71.01371	0.3
119.05039	0.3
123.04576	0.3
125.02467	0.5
137.02444	0.3
182.47160	0.2
188.28035	0.2
217.44591	0.2
217.93721	0.3
243.32986	0.3
306.07843	0.3
404.35815	0.3
513.74750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60623	0.7
55.63197	0.7
59.01368	1.8
61.98824	1.4
71.01389	6.3
73.02941	1.1
78.98582	5.0
79.95737	9.3
80.96518	59.7
83.63934	0.8
85.02950	3.0
87.00883	2.3
94.98083	13.6
97.02951	1.5
101.02438	2.5
106.98097	4.3
122.97559	4.4
125.02459	4.1
127.03983	1.1
134.97568	3.6
136.99089	1.2
148.99146	5.6
152.98627	6.4
164.98610	8.9
170.25415	0.8
182.99681	2.0
206.99666	2.5
211.31822	0.8
225.00714	12.7
225.92584	0.8
243.01831	2.0
281.24863	2.6
283.26456	2.1
291.66223	1.0
299.04367	2.7
508.34271	2.5
581.29980	100.0
582.30273	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	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74660	0.6
59.01379	100.0
61.98833	1.0
69.35148	5.5
85.02962	0.6
91.65888	0.6
109.02984	0.9
111.00842	1.0
116.92887	0.8
121.02946	1.7
135.04536	0.7
137.02449	1.2
145.02905	1.1
147.04526	1.5
151.00403	0.6
151.04047	1.8
153.01909	0.7
161.95670	0.6
163.03995	1.6
174.03206	1.5
175.03999	6.3
176.04788	1.2
177.05527	1.0
180.04346	2.7
188.04817	1.5
189.05603	2.8
190.06364	8.3
191.07089	5.1
193.05124	3.2
194.05862	1.8
203.07315	0.8
205.08743	7.3
207.06705	2.7
208.07376	5.2
222.08932	1.2
240.04179	0.8
269.08237	8.0
281.08408	2.1
283.09854	2.3
298.12509	0.7
299.09299	5.9
311.09189	8.4
314.11566	11.5
315.12018	1.2
326.11581	8.4
329.13931	47.9
330.14316	3.8
341.13925	23.4
342.14456	2.4
372.55655	0.7
374.13828	1.5
389.16058	47.2
390.16513	3.5
396.84119	0.7
409.14349	0.7
419.17273	1.4
581.22925	0.9
593.24622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81118	4.2
59.01377	13.3
61.98828	100.0
71.01374	10.1
96.96018	5.4
101.02430	4.9
113.02492	3.9
119.05017	4.7
125.02448	6.3
137.02374	4.2
167.03577	8.5
193.12434	4.6
197.11728	5.0
197.87585	4.0
201.97163	3.8
229.45618	4.2
237.14883	5.1
240.64992	4.9
253.09256	8.9
291.01190	4.5
291.19788	4.5
309.20526	9.5
327.19415	7.2
345.20734	17.7
363.21786	20.5
373.40250	4.4
386.93954	4.4
418.29758	4.3
452.72250	4.1
566.43323	5.1
581.29456	32.6
582.29712	5.9
609.83807	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	581.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05751	1.0
59.01369	3.1
61.98830	40.3
65.00324	8.0
66.70982	1.5
70.80165	2.6
71.01380	2.3
71.05017	1.5
78.30484	1.1
81.03470	1.5
83.01390	1.1
89.02409	2.0
93.03448	5.6
95.48575	1.2
96.95974	1.4
100.14928	1.0
101.02386	1.3
107.05035	1.6
108.02119	1.2
109.02933	2.5
113.02417	1.4
117.03465	24.8
118.86260	1.0
119.05029	89.9
120.05356	2.2
121.02951	5.5
122.03770	10.0
123.00810	3.3
123.04533	14.4
124.01646	3.2
125.02451	8.6
126.02810	1.2
133.02919	2.5
134.03664	1.8
135.04488	4.5
136.01610	1.2
137.02390	4.6
137.06026	2.6
145.02951	53.1
146.03175	1.7
147.04445	4.3
149.01295	1.6
149.02425	18.6
149.99536	3.5
150.03223	73.3
151.00392	10.8
151.04002	18.3
152.01027	3.9
161.02361	3.5
161.06047	1.6
162.03163	2.5
163.04008	100.0
164.04570	4.7
165.01868	3.5
165.05566	55.0
166.02676	9.2
166.05843	1.7
167.03395	2.7
168.00592	2.7
169.01399	3.7
174.03223	1.2
175.03992	14.0
176.04631	1.1
177.01956	6.3
177.05569	6.9
178.53970	1.2
179.03369	2.1
179.07146	5.8
180.04248	5.3
181.05070	5.6
188.04727	1.7
189.01924	2.6
190.02650	5.9
190.06261	4.8
190.29002	1.3
191.03506	6.1
195.04863	1.6
195.06625	30.8
201.01720	1.3
203.07097	5.9
205.01309	1.1
205.05031	2.2
206.05731	3.5
217.04950	1.5
218.05722	3.6
219.06491	3.7
220.07307	2.1
221.08199	12.7
222.05220	5.1
231.06581	2.8
237.05408	1.7
238.06377	2.4
247.06093	26.1
248.06750	6.2
253.04924	1.6
256.03589	1.2
259.06097	2.0
262.89969	1.1
266.05695	1.9
273.89645	1.1
275.05591	6.5
276.06384	8.1
278.05820	3.0
281.04672	1.8
281.07977	2.1
284.03104	3.3
294.05096	1.8
295.09607	2.4
299.05472	1.2
306.05194	3.6
307.06055	3.3
309.03864	4.9
309.07367	2.4
310.04529	2.6
313.05432	4.9
321.07672	7.2
322.04660	1.5
322.08392	3.0
323.09155	2.6
324.06180	4.0
324.09897	3.1
325.07129	9.3
335.09171	1.7
336.09808	3.9
337.06970	7.0
337.10663	2.9
339.08731	6.4
340.09366	3.1
341.10022	1.5
352.09555	1.9
353.09988	1.5
354.11105	7.0
355.07932	1.7
355.11874	17.2
367.07587	2.1
367.11804	23.2
368.11963	3.1
371.11133	3.2
372.11722	2.2
373.12872	1.9
381.09787	39.3
382.09790	3.4
387.14285	3.7
398.09738	3.4
399.10794	48.4
400.10873	5.8
417.15231	1.6
448.01245	1.3
453.47491	1.4
488.14545	1.4
503.17105	11.3
533.18085	14.5
545.16724	25.8
546.16473	2.8
551.19165	15.1
552.19019	1.7
563.18842	4.8
581.20074	53.8
582.20483	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	581.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
59.01376	7.5
60.21109	0.3
61.45432	0.3
61.98820	1.5
63.46308	0.3
65.00323	0.4
65.75993	0.3
67.01885	1.3
67.72244	0.3
68.99805	0.4
69.03477	0.4
69.46869	0.7
69.47253	2.6
71.01376	5.8
72.72688	0.3
72.99298	1.6
73.02956	3.6
78.98596	0.3
79.01883	1.7
81.03444	0.4
83.01385	1.1
85.02950	2.5
87.00865	2.8
87.04488	1.0
89.02440	2.3
95.01396	2.5
97.02946	0.8
98.19899	0.7
101.02451	3.3
103.04016	0.8
103.82278	0.3
107.01383	5.0
111.00876	3.4
113.02448	1.1
115.03993	1.4
119.03455	0.7
123.00881	21.6
123.68922	0.4
124.01699	0.8
125.02441	16.5
127.00363	0.9
131.03523	1.7
136.98799	2.2
139.00365	8.0
139.03984	0.4
140.01151	4.0
141.01932	2.4
143.03514	2.5
145.05103	0.5
150.96358	0.3
150.99196	0.8
151.00360	13.4
153.01947	0.9
154.99835	0.7
162.55002	0.4
166.02684	0.5
167.03482	0.6
168.00621	4.0
169.01408	16.0
170.01790	0.5
179.03520	0.6
205.07207	1.9
211.02342	0.7
237.04027	0.7
297.06122	1.7
357.08255	1.6
417.10440	0.8
521.33154	1.1
581.18683	100.0
582.19019	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	580.37
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37735	0.5
61.98831	100.0
79.95722	0.5
80.96524	2.1
94.98091	0.6
96.96034	0.6
98.20008	2.3
98.20689	0.9
120.68025	0.5
120.74092	0.5
180.90054	0.5
274.86472	0.5
581.20813	0.9
581.29645	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	581.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98508	1.4
59.01379	6.3
61.98829	57.5
63.07302	1.4
65.00327	9.8
69.33899	9.7
71.01350	2.4
71.04986	3.4
72.99277	1.8
81.03422	3.0
83.01385	1.5
87.12254	1.3
88.58816	1.2
88.98744	1.3
89.02383	1.9
93.03475	6.5
96.95957	2.3
98.20673	2.6
99.00812	1.4
101.02366	1.8
105.03424	1.9
107.01377	2.4
107.04961	2.5
108.02199	1.8
109.02889	3.7
111.00888	1.7
117.03472	21.2
119.05030	80.8
120.05291	2.0
121.02879	4.4
122.03752	6.9
123.00806	4.8
123.04539	16.5
124.01575	6.0
125.02448	16.6
133.02850	2.8
135.04422	4.5
137.02460	6.3
137.03220	1.4
137.05966	4.1
139.03876	1.5
145.02946	53.0
146.03654	2.5
147.04401	5.2
149.02440	13.3
149.99455	4.8
150.03226	42.8
151.00380	13.7
151.04019	26.3
152.00975	2.9
153.05511	2.6
158.10545	1.4
161.02431	3.1
161.04744	1.4
161.05980	5.5
162.03134	3.2
163.04008	100.0
164.04532	2.6
165.01750	4.5
165.05571	26.8
166.02711	8.6
167.03389	3.6
168.00652	11.5
169.01260	5.8
175.03966	8.9
176.01047	1.6
177.01985	9.7
177.05566	6.7
178.99800	2.7
179.03375	2.0
179.07152	9.0
180.04245	3.4
181.05042	6.4
189.01912	2.5
190.02661	8.4
190.06236	2.7
191.03377	5.4
195.06606	15.6
199.03876	1.8
200.18451	1.3
201.01793	2.2
203.07202	6.8
205.01239	1.4
205.04840	2.2
206.05707	1.7
219.02856	1.7
219.06393	5.4
220.07315	3.0
221.08197	18.1
222.01535	2.0
222.05208	3.5
231.06476	3.0
236.72853	1.4
247.06100	34.0
248.06755	9.0
249.07751	1.3
259.05704	2.3
275.05679	8.2
276.06396	9.4
277.07001	2.2
278.05652	1.6
281.04495	1.4
284.03015	4.9
293.04495	1.5
297.09604	1.7
307.05948	1.9
309.03812	5.5
310.04471	2.6
313.05637	8.2
321.07431	3.5
322.08136	2.1
323.08920	2.9
324.05914	2.3
325.06793	3.9
336.09891	3.1
337.07062	1.8
337.10583	2.5
338.10794	1.9
339.08478	4.3
340.09128	3.7
354.10654	4.6
355.11856	9.2
367.11920	12.7
371.10855	4.8
372.11230	2.4
373.12610	2.5
381.09793	58.4
382.09674	5.2
387.14099	3.5
398.09665	3.1
399.10828	72.3
400.11261	6.6
438.06387	1.6
503.16507	4.6
533.18402	7.9
545.16608	38.7
546.16498	4.2
551.19464	7.7
563.18585	5.1
581.20099	49.8
582.20544	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	580.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98387	0.5
57.19799	0.4
59.01378	1.8
61.98831	100.0
62.83813	0.5
66.58314	0.4
71.04961	0.4
72.41266	0.4
78.95895	0.5
80.96527	0.7
90.44670	0.4
100.14611	0.5
101.31376	0.4
209.11707	0.5
229.50473	0.5
234.53444	0.4
256.59201	0.4
257.87866	0.4
418.86011	0.5
478.15463	0.4
544.50464	0.5
574.52435	0.5
581.30292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	15.6
63.76059	3.3
71.01366	4.3
71.51371	4.8
83.53417	3.0
88.04040	78.4
96.96004	4.7
98.39159	3.0
115.00394	16.7
125.02443	13.4
126.02684	4.1
132.03035	100.0
135.04465	4.7
137.02388	5.2
151.03975	4.4
162.02931	3.2
250.07207	78.0
251.07674	4.7
290.07251	4.7
408.08093	4.1
410.08270	5.8
457.41446	4.3
464.68491	3.5
511.48901	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	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.8
59.99896	0.3
61.98835	1.6
78.95906	5.5
80.96513	0.8
99.09138	0.3
130.65164	0.4
152.99554	1.3
156.32149	0.4
161.71507	0.3
168.04279	1.6
176.14626	0.3
179.83496	0.4
224.06917	0.5
229.39201	0.4
242.08054	1.9
242.10103	0.3
281.24838	100.0
282.25192	5.9
347.30826	0.3
506.32480	29.9
507.32751	2.9
580.28638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00683	0.5
54.35844	0.5
57.74723	0.5
59.01378	17.7
61.98823	1.9
62.98632	0.5
67.98409	0.6
78.95902	20.4
98.19860	1.2
98.20535	2.8
146.63304	0.5
152.99567	3.0
155.38358	0.5
168.04355	3.2
224.06935	8.4
242.07916	2.3
268.86490	0.6
281.24838	100.0
282.25150	6.8
506.32483	60.2
507.32880	6.1
580.28735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98830	100.0
65.50317	0.2
67.24815	0.2
71.01401	0.4
73.02969	0.3
78.95905	0.4
87.00886	0.3
98.19893	0.4
101.02424	0.4
109.02967	0.6
110.61530	0.2
115.42015	0.2
119.05022	0.3
121.02944	0.4
123.04527	2.7
125.02493	0.5
133.03021	0.5
137.02443	0.5
145.03012	0.3
149.02458	0.6
150.03217	5.1
150.04376	0.3
151.03998	7.3
152.04378	0.5
153.05624	0.5
161.02409	1.6
165.01904	0.3
165.05571	0.3
167.03543	0.7
176.01193	0.3
177.01929	1.7
177.93773	0.2
178.02353	0.5
181.08682	0.3
182.17532	0.2
187.00217	0.3
205.01532	1.0
219.06546	0.3
233.00859	1.1
256.55356	0.3
270.09033	0.6
271.09433	0.7
277.05142	0.5
285.11423	0.4
286.11713	0.4
293.04611	0.3
297.06433	0.5
297.09796	8.7
298.10324	0.6
301.96793	0.2
311.05554	0.4
312.05963	0.4
321.04013	3.3
323.07855	0.4
353.06613	1.2
366.10620	0.4
379.29480	0.2
384.12131	0.3
467.10602	0.3
476.12994	0.6
485.10825	4.8
486.11224	0.5
517.13782	0.3
518.59741	0.3
548.18732	0.6
579.27905	0.3
580.28339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.4
61.98830	80.5
65.00315	3.6
65.03963	2.3
65.95816	1.2
67.01899	1.9
71.01379	5.4
73.34200	1.3
78.95907	2.1
83.01385	1.6
83.05000	2.4
83.54060	1.3
85.02957	2.7
87.00896	1.5
89.02468	3.1
89.03968	3.4
91.01890	10.0
92.42561	1.2
95.01381	2.9
95.05033	1.3
96.96948	1.5
98.19859	3.6
101.02445	3.2
107.01347	1.7
107.05015	5.4
107.05676	1.4
108.02178	6.8
108.08179	2.2
109.02955	21.7
113.02402	2.0
118.93027	1.1
119.05011	1.9
121.02951	3.1
121.06574	3.5
122.03764	1.3
123.00897	2.2
123.04514	17.4
124.01574	1.3
125.02414	3.9
125.77940	1.2
133.02954	20.4
135.00891	3.9
135.04524	5.7
137.02420	4.0
139.07651	1.3
140.58067	1.3
145.02908	1.5
145.06578	2.1
149.02437	8.5
150.03230	24.9
151.00429	1.3
151.04005	50.1
152.01152	8.2
152.04306	2.4
153.05565	3.9
161.02406	3.1
161.09825	1.4
163.00323	3.6
163.04065	1.6
163.07625	4.1
165.01929	13.3
167.03450	2.0
169.01448	2.5
171.10280	2.1
175.04025	3.3
176.01079	2.2
177.01926	100.0
178.02507	5.4
179.03522	8.1
187.07547	2.9
191.03528	2.4
196.06136	1.9
201.01900	2.6
203.07115	1.6
205.01424	7.7
205.08708	3.3
212.08600	1.3
217.05034	1.9
223.09694	2.5
231.06606	14.3
232.07159	1.5
243.06598	21.0
249.07686	33.6
250.08128	1.8
259.06100	2.0
267.06601	2.5
277.07178	5.4
297.09738	7.7
311.05582	46.6
312.05969	2.0
323.07568	2.5
329.06607	9.4
341.22913	1.6
342.23560	2.1
365.10300	23.6
383.11325	21.3
401.12292	8.9
402.12350	1.6
475.12445	30.9
492.58099	1.4
519.39063	4.6
521.89471	1.4
529.17017	5.9
547.18158	32.4
548.18408	2.5
579.16876	9.2
579.26685	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	579.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
58.00596	3.1
59.01377	95.5
61.98856	7.1
69.03459	2.2
70.94505	2.5
71.01379	35.9
72.99309	6.4
73.02943	27.4
73.95137	1.1
75.00872	1.9
75.57275	1.3
83.01382	4.2
85.02962	15.0
86.00095	1.2
87.00874	13.6
87.04515	3.9
89.02444	24.9
93.03477	1.5
96.96021	5.7
97.02951	2.2
99.00873	1.7
99.04509	1.7
101.02438	55.2
102.02737	1.1
103.04010	19.6
107.01366	1.5
108.02161	1.2
109.02930	2.8
111.00886	2.0
113.02464	3.7
115.04030	6.2
119.03491	10.7
119.05012	3.0
121.02934	1.3
123.00874	1.7
123.04510	2.1
125.02447	13.7
127.03985	2.0
128.90202	6.4
129.01904	1.6
131.03496	11.9
137.02426	2.8
137.39066	1.2
143.03496	14.2
145.05052	7.7
147.03027	1.4
149.02411	2.9
150.03224	6.1
151.00397	4.5
152.01141	1.7
153.01869	1.5
161.02400	2.8
161.04570	1.2
161.21625	1.4
163.03937	2.9
163.06119	100.0
165.05586	3.2
167.03497	2.2
169.01367	3.9
179.05588	1.6
185.06001	1.4
195.06622	2.7
205.07152	31.7
225.07437	1.4
227.07137	6.9
265.09283	8.8
271.02228	1.6
289.07047	2.5
299.51566	1.2
313.05588	1.4
325.11105	1.4
371.11246	1.9
405.25241	1.7
482.06931	2.7
519.28156	14.8
579.16486	6.4
579.30524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04992	1.0
57.03452	1.3
58.84515	0.9
59.01377	13.6
61.98830	13.0
65.00322	1.4
65.03970	4.8
67.01884	2.4
69.82550	0.8
71.01382	4.3
71.06786	1.0
71.07121	1.4
72.99313	2.1
73.02947	2.3
75.00890	0.9
76.04858	0.9
78.69266	0.8
83.01388	1.0
85.02950	4.2
87.00867	1.8
88.98798	1.1
89.02460	1.9
91.01894	20.7
93.03477	1.8
95.01384	1.3
96.96000	1.8
97.02977	1.2
97.44958	0.8
99.00883	2.0
101.02432	2.9
107.01394	5.8
108.02182	8.9
109.02953	74.8
110.03344	1.3
113.02451	5.3
119.05032	4.1
121.02940	3.8
123.00903	3.0
123.04539	5.2
124.01662	1.8
125.02443	5.1
133.02934	2.3
135.00883	32.7
135.04503	1.8
136.01682	13.4
137.02467	8.2
143.05028	0.9
147.04533	2.5
148.01675	1.8
149.02437	3.2
149.06104	1.8
150.03214	3.5
151.00372	2.8
151.04013	4.3
152.01138	0.8
153.00696	1.5
153.01944	24.0
159.04445	1.3
161.02489	1.5
161.06073	1.5
163.04044	3.5
165.01926	1.4
165.05557	2.3
167.03516	1.9
168.00575	0.9
169.01350	0.9
173.06024	1.6
175.03987	2.2
177.01901	2.1
177.05519	1.9
179.03458	1.2
187.04077	1.8
189.05568	1.7
191.03531	1.2
193.05035	0.8
193.45563	0.9
199.04092	0.9
203.03409	0.8
205.05048	2.5
217.05070	3.1
227.10840	1.4
253.05119	0.9
255.06702	2.3
256.07370	1.2
271.09741	86.7
272.10074	4.3
289.06769	1.0
334.26480	1.0
339.07117	3.3
385.11386	3.6
471.11414	100.0
472.11728	8.3
482.06738	1.0
537.56915	0.8
579.20837	23.4
580.21014	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
59.01381	1.4
61.98830	0.7
69.33181	1.2
69.33575	5.1
71.01385	3.1
71.18335	0.6
73.02927	1.3
81.03455	1.8
83.01386	1.2
85.02944	3.5
93.03495	1.2
95.01389	2.2
96.96035	0.7
97.02955	1.3
101.02448	1.8
101.90221	0.7
108.02174	52.8
109.02967	34.2
110.03279	1.3
113.02452	1.7
121.02921	1.1
121.06573	1.1
123.00865	1.1
123.04536	2.2
123.08162	2.1
125.02451	10.4
126.02760	3.8
127.02918	1.2
135.00838	0.8
137.02423	2.5
149.02411	0.6
149.05028	0.7
151.04024	1.9
152.01154	62.1
153.01955	16.0
161.02393	2.3
162.02904	0.9
163.04053	1.2
165.01903	1.7
171.11755	2.1
179.03583	0.8
189.09187	1.1
201.12727	0.7
202.26556	0.6
203.07234	0.9
237.14989	2.1
246.08327	0.8
256.03485	0.7
257.96539	0.6
281.13980	0.9
285.03973	1.6
289.07089	3.2
290.07550	3.3
291.07791	2.3
297.06326	0.9
315.07227	11.0
316.07666	1.0
408.08051	1.6
409.08310	2.7
426.09113	1.0
427.09039	1.2
453.10873	1.3
579.20850	100.0
580.21191	12.1
595.84467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01379	15.1
61.95710	0.7
61.98829	18.1
65.00324	1.5
65.03968	5.1
67.01885	3.1
71.01387	5.0
72.99306	1.7
73.02931	2.7
74.24648	0.8
80.02683	0.9
83.01410	1.2
85.02956	3.5
85.19413	0.7
87.00875	2.1
89.02441	2.0
91.01896	21.3
93.03457	1.9
95.01391	1.7
96.96008	1.8
98.19875	1.6
99.00879	1.9
101.02449	1.8
107.01410	5.9
108.02185	7.7
109.02956	76.5
110.03306	1.2
113.02456	4.6
119.05028	4.8
121.02950	3.6
123.00890	1.7
123.04557	5.0
124.01675	1.6
125.02442	5.1
126.02822	1.0
132.44771	0.8
133.02986	2.7
133.03897	0.8
135.00887	35.4
135.04488	1.6
136.01666	15.5
137.02441	11.2
143.03467	1.0
145.06627	1.0
147.04550	2.8
148.01675	2.5
149.02448	3.4
149.06126	1.9
150.03221	3.9
151.00339	1.5
151.04025	4.1
153.00713	1.3
153.01941	22.2
161.02460	1.0
161.06126	1.4
162.03128	0.9
163.04044	4.2
164.01163	0.9
165.01918	1.2
165.05568	2.6
167.03532	1.0
168.00696	1.1
169.01474	2.1
173.06088	1.8
175.04016	3.1
177.01974	3.1
177.05595	3.1
178.99936	1.6
187.04037	1.2
189.05569	1.7
191.03569	1.1
193.04933	0.9
205.05141	2.3
217.05078	1.9
227.10837	1.5
238.06584	1.0
255.06744	1.6
256.07419	1.1
259.57672	0.8
271.09741	95.1
272.10117	4.1
339.07251	2.3
385.11441	4.7
429.11060	1.0
471.11423	100.0
472.11694	8.2
579.20917	26.7
579.31158	0.7
580.21008	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	579.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01373	1.9
59.68523	0.7
61.98820	0.8
63.02402	2.1
65.00323	13.8
69.69989	1.2
69.70403	2.3
70.13595	0.7
83.01382	6.5
85.02966	0.7
89.92410	0.8
93.03439	6.2
107.01391	24.9
108.02171	1.9
108.99345	0.8
110.86369	0.8
119.05025	44.2
120.05355	1.6
121.02950	1.4
125.02433	5.7
128.90172	1.4
133.02992	0.8
136.01649	1.7
137.02448	1.4
143.05032	1.5
145.02946	5.4
151.00362	100.0
152.00684	2.7
161.06044	1.7
164.01230	1.5
165.01933	3.7
166.02692	2.5
169.01366	1.6
175.00317	1.7
177.01930	8.2
181.05048	4.2
185.06108	3.0
187.03954	3.5
193.01398	1.2
205.01411	1.2
209.04475	1.1
227.07166	3.4
235.02486	2.0
269.04477	0.9
271.06116	66.8
272.06378	3.4
313.07190	2.7
353.56232	0.7
373.09174	1.4
417.15659	4.9
456.85269	0.8
459.11520	22.1
460.11551	1.2
579.17133	87.7
580.17584	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	579.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98833	0.3
57.03433	0.4
59.01369	1.1
61.98830	4.7
63.02393	1.6
65.00323	6.9
69.03492	0.3
69.23138	3.1
71.01373	0.8
83.01383	4.7
85.02962	0.3
85.06974	0.3
88.98823	0.5
93.03450	4.2
95.01451	0.4
96.06098	0.3
96.95995	0.5
97.02921	0.5
103.74064	0.3
107.01389	11.7
108.02182	1.3
109.02946	1.1
111.00854	0.4
119.05025	27.6
120.05411	0.6
121.02918	0.7
123.00887	0.4
124.01631	0.3
125.02451	2.5
126.02795	0.4
131.01421	0.9
133.02969	1.3
135.00923	0.5
135.04491	0.4
137.02434	1.2
143.04988	0.8
145.02951	1.6
149.02443	0.5
151.00365	43.4
152.00992	1.3
153.01938	0.4
161.02455	3.4
161.06097	1.0
164.01114	0.4
165.01918	2.8
169.01385	1.2
175.00349	3.4
177.01938	3.5
179.03494	0.5
185.06010	1.6
187.04004	1.9
189.01947	0.6
193.01442	1.5
211.02577	0.5
217.01308	0.4
227.07153	1.9
229.05209	0.5
271.06110	100.0
272.06448	5.0
285.07614	0.5
289.07242	0.5
294.62247	0.4
295.06113	3.4
313.07211	2.2
343.21204	0.4
459.11432	1.0
482.06943	0.9
579.16602	6.3
580.20117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72638	5.7
54.20814	4.8
59.01381	100.0
60.06647	4.1
61.98824	10.0
66.26547	4.6
70.97437	14.1
89.02463	11.2
91.03998	50.5
93.04657	5.2
181.12482	5.6
207.10262	16.2
209.11826	8.4
209.34416	5.1
211.13403	10.8
225.11319	33.4
281.25034	6.9
293.21207	10.9
295.22845	25.9
307.30035	51.8
322.24127	5.7
351.28925	23.5
369.30164	33.8
425.32739	35.9
443.33826	48.3
444.34424	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	577.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46793	0.7
59.01382	8.5
62.56453	0.7
69.42392	3.8
83.05008	0.8
83.36880	0.8
89.02412	1.3
91.04005	5.0
98.20388	2.9
111.08164	1.1
137.55905	0.7
150.67897	0.8
156.57867	0.7
165.12852	8.5
175.90251	0.7
183.13904	100.0
184.14241	4.4
195.13905	4.2
209.11790	7.1
211.13428	1.1
223.13364	3.4
227.12906	4.8
259.14346	0.8
275.20135	2.9
293.21243	47.5
294.21469	3.9
301.16608	6.7
307.29987	3.6
351.29044	2.1
369.30112	1.4
425.32639	2.7
443.33640	3.4
577.37463	14.6
578.37531	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03781	0.2
59.01379	15.3
61.62647	0.3
71.01380	0.6
78.95908	6.5
78.96370	0.3
78.98598	0.3
79.95745	0.6
80.96514	3.6
82.96084	0.4
87.00842	0.3
94.98090	0.7
121.78493	0.3
122.97607	0.3
152.99583	1.3
164.98611	0.5
168.04330	1.1
194.59706	0.3
195.72017	0.3
224.06967	0.9
225.00819	0.4
242.07928	2.7
261.22229	0.6
279.23279	100.0
280.23639	7.3
504.30960	26.6
504.38632	0.5
505.31323	2.5
524.04608	0.3
578.27179	5.5
579.26837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42521	0.3
59.01382	19.2
61.98832	0.6
65.43843	0.4
78.95905	21.6
79.95754	0.5
80.96531	2.7
84.57783	0.4
94.98099	0.5
105.40932	0.4
116.76737	0.4
129.40179	0.3
152.98563	0.4
152.99622	3.0
168.04305	2.8
202.03949	0.4
203.85681	0.4
224.06935	7.6
242.07980	1.9
279.23285	100.0
280.23618	6.8
504.30966	62.2
505.31360	6.5
576.14874	0.4
578.27313	3.9
579.26593	0.6
605.15698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1703
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
57.03439	3.0
59.01377	8.0
61.98825	9.5
63.02380	3.8
65.00325	11.3
69.86642	6.2
71.01367	4.7
71.49593	0.9
73.02934	2.0
76.46319	1.0
81.03454	1.8
83.01383	8.6
85.02924	3.1
87.00845	2.8
88.98806	1.8
89.02431	3.4
93.03471	6.6
93.03937	1.2
96.35254	1.2
96.96011	10.1
97.02951	1.1
98.19942	1.5
99.00891	6.8
101.02450	2.3
107.01399	20.5
108.02169	2.6
109.02940	3.1
111.00884	4.3
112.98800	2.5
113.02434	3.5
115.00327	1.8
119.05029	28.5
121.02919	2.9
122.56590	1.2
123.00830	1.6
123.04489	1.8
125.02457	18.0
126.02760	2.0
127.02944	1.8
133.02931	1.4
133.76712	1.1
137.02432	4.4
142.99753	1.2
143.04800	1.7
145.02927	4.9
149.02385	4.4
150.03235	14.0
151.00369	68.1
151.03966	2.7
152.00935	4.3
153.01875	1.5
161.02429	2.7
163.03856	1.3
165.01923	9.4
165.05577	12.4
167.03593	2.0
169.01392	5.0
173.06010	2.0
174.01682	1.5
175.02449	4.7
175.03871	1.8
177.01947	7.3
178.99826	2.0
179.03517	2.6
181.04933	1.5
185.06059	2.8
186.02681	1.1
187.03909	3.5
195.06645	8.8
199.07738	1.2
202.06314	2.4
203.07079	1.5
227.07047	2.7
231.10236	1.7
243.06534	1.3
247.06223	1.3
259.05975	1.6
269.04532	3.1
271.06119	100.0
272.06616	6.1
272.12973	2.5
273.13239	2.6
289.07123	3.7
290.07443	4.1
291.07715	1.8
296.30334	1.2
332.14923	2.9
333.15244	4.2
337.09442	5.7
408.08072	1.8
409.08142	3.1
411.16522	1.8
415.10129	1.5
422.52298	1.2
433.11337	2.1
459.11340	2.2
461.14413	3.7
483.22961	1.1
513.18665	1.2
543.20892	11.2
579.17084	56.3
580.17249	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01378	3.2
60.44754	0.4
61.98838	1.1
62.79717	0.4
63.96238	0.8
69.03461	0.7
69.91622	0.5
70.67624	1.4
71.01381	6.6
73.02943	1.6
78.95913	0.9
78.98588	6.0
79.95731	10.7
80.96516	67.0
81.03459	0.8
83.01369	0.7
83.98524	0.5
85.02927	2.7
87.00877	2.8
94.98086	16.2
96.95993	1.1
97.02946	1.6
99.00893	0.6
101.02441	2.8
106.98103	3.2
107.22143	0.5
121.02967	1.3
122.97592	5.0
125.02408	3.0
127.03978	1.1
134.97586	3.2
136.99115	1.6
146.97588	0.7
148.99147	5.3
152.98637	7.0
164.98613	10.2
167.00285	0.5
175.81595	0.5
182.99719	2.2
183.13898	0.8
193.05070	2.2
201.38248	0.4
202.06744	0.4
206.99718	3.2
209.11818	0.6
212.83623	0.5
225.00725	15.1
242.07718	0.5
243.01675	2.1
277.21655	2.5
279.23276	18.1
292.35272	0.5
293.21265	0.7
299.04391	2.5
504.31097	4.4
577.26837	100.0
578.27216	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	577.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41900	0.6
61.97579	0.6
66.21481	0.7
78.95902	7.8
96.96012	0.9
98.20699	0.9
105.71530	0.7
110.98531	7.0
125.09766	1.1
127.11267	1.9
146.60109	0.7
165.95932	0.7
167.01199	3.2
171.10274	100.0
172.10632	3.7
254.50345	0.7
255.23280	46.2
256.23679	2.8
286.84164	0.6
295.88281	0.6
304.91602	0.6
316.80096	0.6
321.11121	0.9
337.48779	0.7
339.12308	1.3
405.24164	0.8
422.98746	0.8
423.25146	5.4
478.73065	0.7
577.34857	7.9
578.35175	1.2
594.23364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01381	4.3
61.98826	0.6
68.66128	0.5
75.53873	0.6
76.40116	0.5
85.59050	0.5
87.65385	0.5
91.03996	2.8
111.08175	1.5
125.02427	0.6
165.12851	9.4
179.14330	0.6
183.13895	100.0
184.14285	3.9
195.13861	3.9
209.11842	6.2
211.13446	1.4
223.13445	4.4
227.12883	6.0
256.13110	1.4
275.20151	2.2
283.15421	0.8
293.21231	46.2
294.21558	2.8
301.16617	6.5
307.29996	2.4
351.28998	1.0
369.30167	1.4
425.32947	1.2
443.33725	2.4
490.75967	0.6
577.37396	15.3
578.37671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26460	1.5
52.34441	1.8
57.03442	8.3
59.01382	26.0
61.98830	100.0
65.00317	26.2
68.99840	3.0
71.01374	14.0
71.05016	3.6
71.52511	3.5
72.99325	3.0
73.02949	5.7
75.00883	4.5
78.95914	2.1
81.03469	7.8
83.01389	7.5
85.02966	13.6
87.00871	3.9
89.02464	7.4
93.03445	4.0
95.01408	3.6
96.96001	9.1
97.02956	2.1
99.00881	5.7
101.02439	9.6
103.04025	2.4
104.02711	3.3
105.03499	2.6
106.04266	1.9
107.01393	9.0
108.02201	3.3
109.02950	10.2
109.06627	1.6
111.00883	2.5
113.02460	10.1
117.03440	2.5
121.02961	5.3
122.03742	3.1
123.04511	29.1
124.01684	9.6
125.02448	66.1
133.02950	7.2
134.03700	3.3
135.02985	2.7
135.04521	45.3
137.02432	7.2
137.06078	13.6
140.32120	1.9
145.02997	3.6
146.03751	3.1
147.02007	1.9
147.04538	6.8
149.02460	14.0
149.06113	2.1
149.99582	5.6
150.03217	34.5
151.00360	41.3
151.04005	43.2
152.01129	18.8
153.01918	5.0
159.04506	2.3
161.02457	23.0
161.04874	2.1
161.06096	14.8
162.03180	3.5
163.00380	2.7
163.04010	5.7
163.06114	7.7
163.07387	1.9
164.01167	5.6
165.01865	8.4
167.03563	3.9
168.00615	7.4
169.01436	7.9
173.06273	2.2
174.03268	4.0
175.03978	10.0
176.01161	2.1
177.01929	18.7
177.05586	2.7
178.02559	2.1
178.99881	17.1
179.03494	31.5
179.07129	15.7
187.03970	5.3
189.01866	3.4
189.05606	2.6
190.02702	7.8
191.03429	2.3
193.04890	2.0
199.04114	2.6
201.01770	2.8
203.03516	5.1
203.07132	20.6
205.01422	5.5
205.05055	2.4
207.03177	2.2
215.07121	4.5
217.05013	2.7
218.02246	2.5
218.05917	2.3
219.06607	6.0
221.08157	24.6
222.01695	7.7
231.06575	2.3
245.04521	2.4
245.08223	2.9
247.06107	99.5
248.06534	5.4
249.07710	3.8
253.05089	2.0
253.10974	2.2
265.07178	20.8
273.07700	2.1
275.05624	7.1
276.06406	4.1
277.07336	2.1
279.08731	35.8
284.03232	8.3
289.07239	10.7
297.09818	9.4
305.10233	9.6
307.08237	10.8
309.04019	11.7
310.04819	3.1
324.06229	3.4
363.08505	2.3
371.11276	5.0
381.09784	97.0
382.10089	7.5
399.10843	36.2
407.07547	7.5
413.12354	45.4
413.17563	3.5
414.13010	2.7
415.17978	3.8
425.18182	2.5
429.21729	2.2
431.13388	21.3
451.10291	3.6
451.16125	8.0
527.15240	2.3
533.22278	15.6
533.35620	2.3
545.16620	23.6
559.18323	3.6
577.19214	51.3
578.19519	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
54.96889	0.5
57.03445	13.9
69.03452	0.6
70.65303	1.5
81.03474	2.0
81.47074	0.5
83.01392	4.6
93.03471	1.1
95.01412	0.9
95.05032	1.7
97.02944	2.6
103.59352	0.6
107.05026	0.8
108.02203	0.8
109.02950	13.3
118.03814	0.6
121.02969	2.7
122.03723	1.3
123.04522	10.1
125.02444	100.0
126.02805	2.2
133.02948	2.0
135.04541	1.3
137.02446	20.7
139.03990	2.5
145.02930	0.8
146.03754	0.8
149.02443	4.4
150.03278	1.0
151.03992	9.5
159.04561	2.6
161.02441	22.0
161.03775	1.2
161.06058	4.1
162.03104	1.9
163.00392	0.9
163.03978	2.3
163.95084	0.5
164.01170	3.3
165.01935	5.3
167.03511	1.2
173.06061	1.4
174.03366	0.6
175.04025	6.4
175.07663	0.7
177.01924	5.0
178.02499	0.5
179.03514	3.6
185.06085	0.9
187.04054	4.3
188.04741	1.8
189.05435	0.8
199.04050	0.6
199.07719	0.7
201.05568	0.9
202.06396	0.9
203.03456	1.0
203.07085	6.9
205.01451	1.5
205.05031	4.7
212.04720	0.9
213.05632	0.5
215.03531	1.3
217.05034	1.7
221.08263	1.8
227.03523	1.1
227.07076	1.3
229.05060	2.1
231.03011	1.2
231.06633	0.6
243.02901	1.3
244.03647	0.8
245.04411	2.9
245.08136	9.5
247.06154	1.1
250.04898	0.6
253.04955	0.6
255.02982	4.3
255.05673	0.7
255.06184	0.6
256.03641	2.8
257.04529	1.3
269.04544	1.1
271.06012	0.5
273.04016	4.7
281.04465	2.5
283.02560	1.2
285.04041	1.7
285.07437	0.6
287.05588	6.0
288.02859	0.8
289.07159	57.7
290.07532	3.4
297.04251	0.7
297.07730	0.8
299.05597	6.2
300.06213	0.8
320.92996	0.6
329.06555	1.2
339.08655	2.9
381.09891	2.1
407.07690	42.2
408.08194	3.3
425.08755	15.3
426.09174	2.1
446.20004	0.7
451.10278	9.1
452.10629	1.0
577.13391	6.6
577.20697	0.7
578.14233	0.8
578.35260	0.6
581.30817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	9.7
69.43639	49.2
78.75831	7.0
82.48940	6.9
83.01374	13.9
87.62830	7.1
107.05036	13.7
109.02906	42.3
121.02907	10.6
123.04519	14.4
125.02434	100.0
135.66463	6.3
137.02448	53.8
147.04446	11.0
149.02415	22.0
151.03983	51.2
161.02411	30.8
162.03072	8.4
163.03928	12.2
165.01852	19.0
167.03571	7.4
175.03922	14.6
177.01826	7.1
179.03409	7.2
187.03889	8.8
189.05490	14.4
191.03439	14.5
201.05498	12.5
205.04947	16.7
217.05017	11.4
243.06607	10.4
245.08258	12.7
259.06064	19.8
269.04459	21.0
285.07959	8.2
287.05609	87.0
288.05966	8.8
289.07236	72.4
329.06674	14.8
407.22128	6.9
425.08585	10.3
432.67584	8.9
439.10254	29.4
511.36688	8.1
577.13239	46.9
578.13800	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	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	17.8
69.67735	6.9
81.03462	3.4
83.01390	5.9
92.35504	1.1
95.05003	3.5
97.02943	5.1
98.19939	2.4
107.05019	2.0
109.02948	23.0
117.03424	1.7
121.02928	3.8
123.04518	15.1
125.02449	100.0
126.02773	1.5
128.00505	1.1
133.02925	4.6
135.04491	2.9
137.02454	20.4
137.83223	1.3
139.03972	2.9
145.02950	1.6
146.03740	1.4
149.02455	6.5
151.04022	14.3
155.69240	1.1
159.04504	3.5
161.02452	31.0
161.06065	5.0
162.03180	2.7
163.00423	1.6
163.04019	3.7
164.01138	5.3
165.01920	4.9
174.03151	1.9
175.04027	9.8
175.07625	2.1
177.01874	6.2
179.03477	4.7
187.04010	9.6
188.04659	3.1
193.05064	1.2
201.05606	1.6
202.06285	2.3
203.03458	2.8
203.07079	9.1
205.01355	2.3
205.04990	6.5
211.03951	2.4
215.03490	1.9
217.05037	2.9
219.02933	1.3
227.03490	2.3
228.04233	1.7
229.04985	5.2
230.05724	1.6
231.06604	1.4
243.02896	3.8
245.04565	5.1
245.08151	10.6
253.04839	1.6
255.02950	10.9
256.03735	5.2
269.04532	2.4
273.04025	4.9
281.04462	2.3
283.02448	1.7
285.04077	3.5
287.05554	8.2
288.02808	1.5
289.07175	63.6
290.07632	1.8
299.05545	5.1
329.06625	1.5
339.08618	3.7
342.81207	1.3
381.09781	2.5
407.07678	54.0
408.07895	4.6
425.08710	16.3
451.10205	9.3
498.16159	1.3
577.13306	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20017	0.7
59.01376	27.0
61.98824	2.7
78.62703	0.8
78.95905	31.5
111.30643	0.9
125.02427	0.9
137.30103	0.9
152.99596	4.4
168.04297	2.9
174.35268	0.8
176.75339	0.9
219.87761	0.7
224.06920	9.7
242.07996	3.2
259.20584	1.4
277.21707	100.0
277.61182	0.9
278.22021	7.5
502.29382	70.0
503.29486	6.0
513.38733	1.2
580.19592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60523	0.2
58.73037	0.2
61.98830	100.0
71.29984	0.3
80.96522	1.8
85.02978	0.2
94.98142	0.4
114.14376	0.3
125.02471	0.4
127.39513	0.3
225.00726	0.3
228.75400	0.3
256.77551	0.3
277.21991	0.3
407.08182	0.3
577.26746	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19512	0.3
50.82380	0.3
53.46855	0.3
57.24354	0.3
59.01379	16.8
61.98822	1.1
70.61931	0.6
71.01378	0.4
75.93340	0.3
78.95906	6.5
94.78349	0.3
99.70507	0.3
117.69054	0.3
125.02465	0.3
152.99571	1.6
166.19914	0.3
168.04305	2.1
195.05597	0.3
224.06927	0.8
242.07962	2.6
259.20721	0.5
277.21704	100.0
278.22043	5.8
409.85284	0.3
502.29388	31.1
503.29703	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	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.3
61.98833	3.2
71.01389	3.5
74.12598	1.5
89.02444	2.0
98.20394	9.8
101.02465	3.3
103.05479	1.7
125.02454	3.0
170.02931	1.4
171.59389	1.6
209.11830	1.8
225.11198	2.1
253.09254	16.8
255.23192	1.8
279.23273	100.0
280.23520	5.9
327.38321	1.8
398.56323	1.6
468.02118	1.8
588.00195	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.9
61.98843	1.6
69.99597	2.1
69.99983	2.3
71.01376	2.6
74.56660	1.0
82.22643	1.0
89.02441	2.1
93.04305	1.2
98.19995	1.2
101.02427	4.0
113.02502	1.0
114.19288	1.1
133.93588	1.3
140.42709	1.2
235.08124	2.3
253.09242	13.6
279.23270	100.0
280.23636	6.5
382.56189	1.1
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
61.98830	100.0
74.21983	0.4
75.53903	0.4
80.96534	0.9
98.19482	0.4
98.19855	0.7
98.20553	2.0
113.00817	0.4
119.58861	0.3
130.14201	0.5
149.72218	0.4
164.98695	0.4
180.09789	0.4
202.42113	0.4
274.44446	0.5
278.22147	0.7
279.75189	0.4
288.00143	0.4
295.83432	0.5
299.07047	0.4
334.65393	0.4
380.90671	0.4
434.52060	0.5
577.26819	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	13.3
59.01377	32.3
61.98815	6.8
65.00327	2.0
69.03455	4.2
69.37180	10.9
69.37601	2.8
71.01384	10.0
73.02953	11.8
81.03450	2.7
83.01382	7.9
85.02945	4.8
87.00867	3.2
89.02435	8.4
93.03461	3.4
93.18166	1.5
94.63864	1.4
95.01379	2.3
95.04977	2.0
96.95992	4.9
97.02947	5.9
101.02443	15.9
103.04005	8.7
108.02152	2.8
109.02233	2.1
109.02946	27.0
115.03945	1.9
119.03462	3.4
119.05049	2.0
121.02956	15.3
122.03705	3.2
123.04528	15.8
125.02445	100.0
127.03920	1.9
131.03490	4.1
133.02925	5.3
135.00874	2.4
135.04463	3.9
137.02448	25.9
139.03992	4.1
145.05093	2.1
147.00841	5.4
147.04509	6.9
149.02477	12.8
150.03209	3.9
151.04007	13.1
159.04456	2.9
160.01680	2.0
161.02422	22.3
161.06052	4.5
162.03174	3.4
163.00377	29.9
163.04045	3.3
163.06105	25.1
164.01166	10.1
165.01894	16.3
165.05603	2.8
167.07100	2.3
171.04492	3.1
173.02501	2.4
173.06042	2.5
174.03169	4.0
175.03986	19.9
176.01129	5.6
177.01939	17.6
179.03496	5.8
185.00955	4.0
185.05978	3.8
187.03987	6.3
188.04727	3.4
189.01880	3.1
189.05534	4.3
191.03630	1.8
195.06584	2.1
197.06059	3.4
199.04083	9.6
201.01945	3.9
201.05579	3.3
203.03502	5.1
203.07181	7.3
205.01355	4.3
205.05037	5.0
205.07175	5.8
211.03976	3.3
212.04616	2.2
213.05508	5.9
214.02519	2.3
215.03459	7.2
217.04977	11.3
219.06572	2.2
225.05586	2.7
227.03426	3.2
228.04189	2.6
229.05078	2.2
231.02890	3.3
237.05446	1.8
239.03491	3.0
240.04266	2.0
241.04962	8.4
243.02983	9.1
243.06508	3.9
245.04475	5.1
245.08141	11.9
253.05052	3.9
255.02888	10.6
256.03705	4.0
257.04495	12.5
267.02985	4.5
269.04514	4.8
273.04099	2.1
281.04477	3.9
283.02570	1.7
283.06100	4.4
284.03067	4.0
285.04037	98.3
286.04459	4.8
287.05533	15.2
289.07147	58.6
290.07590	3.4
297.04102	7.8
307.06042	11.7
309.03967	7.5
319.06161	3.5
327.05045	10.8
328.05463	2.4
369.13333	4.2
387.04871	3.4
388.06058	2.0
405.05865	2.2
407.07794	21.8
409.09647	2.1
411.07071	9.1
415.04599	2.2
423.07147	36.6
424.07584	3.3
431.07544	2.2
435.06848	2.7
447.07114	7.7
449.08759	60.0
450.09143	5.2
452.07523	16.7
453.08075	7.3
465.08072	2.1
471.11011	3.6
539.09808	24.3
539.21118	3.8
539.34058	2.3
540.09851	2.1
557.10583	3.6
575.11865	52.8
575.26935	2.2
576.12061	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	575.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	13.2
59.01383	31.1
61.98834	3.7
65.00315	2.9
69.81265	12.0
71.01376	10.2
73.02948	10.5
81.03479	2.4
83.01383	12.7
85.02951	4.9
87.00887	3.7
89.02435	5.4
93.03451	7.7
95.05022	2.5
97.02934	5.4
101.02439	13.9
103.04002	7.7
107.04986	2.3
108.02188	3.4
109.02946	39.3
119.01418	2.2
119.03521	3.5
121.02943	14.2
122.03720	7.6
123.00923	2.3
123.04546	20.2
125.02444	100.0
131.05121	3.0
133.02966	5.4
135.00844	2.6
135.04515	4.4
137.02457	36.3
139.04008	5.1
143.03505	3.5
143.05020	4.0
145.03017	4.1
147.00894	4.1
147.04503	8.2
149.02441	16.5
150.03172	9.8
151.04019	13.9
156.87459	2.3
159.04521	9.4
161.02451	33.2
161.06039	6.7
162.03145	4.5
163.00380	24.0
163.04016	8.6
163.06116	26.5
164.01157	13.7
165.01915	19.6
165.05551	8.1
166.06108	4.1
166.51930	2.4
167.03432	6.5
171.04433	5.5
173.02477	4.5
173.06050	4.6
174.03168	3.3
175.03993	34.5
176.01152	4.9
176.04398	2.2
177.01912	30.4
177.05499	3.1
179.03490	5.7
183.04485	3.8
185.06009	6.7
187.03954	16.4
188.04823	3.8
189.01910	3.9
189.05554	6.3
193.04979	2.7
195.04527	2.8
195.06573	5.4
197.06154	3.4
199.04007	16.6
201.01918	8.9
201.05508	8.1
202.06354	3.3
203.03539	4.9
203.07120	6.4
205.05035	10.2
205.07112	6.5
211.03979	9.2
212.04802	5.1
213.05536	7.5
214.02696	4.0
215.03548	12.5
216.04153	2.6
217.01454	2.3
217.05026	15.4
219.03145	3.4
219.06488	3.6
225.05447	4.2
227.03532	12.3
227.07053	4.8
228.04274	6.6
229.01476	3.5
229.05090	20.6
230.02263	2.8
230.05701	2.7
231.02971	6.5
237.05563	3.3
239.03467	4.7
240.04173	5.2
241.05066	19.1
242.02254	5.2
243.02953	42.3
243.05507	2.5
243.06662	5.5
244.03835	3.0
245.04550	7.7
245.08212	8.7
250.22580	2.3
253.05125	5.0
255.02997	24.7
255.05667	2.6
255.06621	2.6
256.03745	12.5
257.04578	12.0
267.02985	5.5
268.03870	3.2
269.04514	10.1
271.02505	27.1
271.05688	4.6
272.03229	5.0
273.04010	11.5
277.52524	2.6
281.04526	9.4
282.04779	2.5
283.02856	5.0
283.06061	5.5
284.03360	2.6
285.04044	96.4
286.04507	5.1
287.05576	25.0
289.07175	46.7
290.07291	2.8
297.04053	13.5
298.04568	3.2
299.05377	2.3
307.06104	11.5
309.03970	4.4
321.07565	3.4
326.04407	3.4
327.05130	11.3
339.08621	4.6
363.08685	3.3
381.09772	5.2
387.04977	3.5
388.96283	2.6
389.06696	10.3
394.06946	16.2
395.07535	3.0
407.07687	95.3
408.07971	9.1
409.09232	4.6
413.08844	3.0
423.07205	29.6
424.07788	3.1
425.08853	2.7
431.08005	4.1
435.07089	2.6
437.08801	6.8
447.06931	6.3
449.08755	73.1
450.08978	6.2
452.07492	15.5
453.08170	6.5
539.09662	17.2
540.09821	3.4
557.10840	4.8
575.11859	69.5
576.12207	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	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80877	0.3
61.98829	100.0
71.01389	0.4
71.51842	0.4
78.95905	0.4
112.64510	0.3
119.05015	0.8
137.02470	0.4
145.02946	0.5
163.03943	0.5
165.52525	0.3
171.10318	0.5
256.66214	0.4
575.26538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1195
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
53.99385	0.8
57.03447	3.5
59.01378	2.8
59.41634	0.5
61.98830	8.3
62.02280	0.6
69.03457	0.7
70.45735	1.8
71.01376	1.7
81.03446	1.5
83.01385	3.5
85.02950	1.2
87.00897	0.8
89.02452	0.8
93.03458	1.5
95.01424	0.9
95.05012	1.7
96.96021	0.6
97.02961	1.2
99.04509	1.6
101.02456	0.8
101.05800	0.5
105.30701	0.5
108.02155	0.7
108.03781	0.5
109.02960	6.7
111.00893	0.8
113.02399	0.8
121.02939	3.8
122.03735	3.5
123.00877	1.1
123.04510	6.9
124.01667	0.7
124.90528	0.5
125.01514	1.2
125.02447	23.4
133.02945	1.4
135.04535	1.2
137.02446	19.8
139.03990	2.2
143.04977	0.6
145.02950	1.7
146.03737	1.4
147.04504	2.2
148.01704	0.6
149.02382	3.4
150.03181	1.0
151.00325	0.7
151.04030	3.5
152.01189	0.8
152.17937	0.5
154.02684	0.9
157.06592	0.7
159.04471	2.8
161.02437	14.2
161.06067	1.1
162.03140	2.4
163.00336	1.9
163.03972	3.6
164.01128	2.7
165.01935	5.4
167.03482	5.0
169.01520	0.9
171.04546	1.6
173.02434	1.2
173.06032	1.1
174.03181	1.2
175.04007	9.7
177.01859	2.7
177.05490	0.6
179.03506	0.9
183.04515	1.3
184.05235	0.7
185.06070	1.6
186.03265	0.7
187.04030	5.4
188.04694	1.4
189.01889	1.9
189.05554	3.0
190.02689	0.6
191.03523	1.3
197.06094	1.2
198.03374	0.9
199.03989	6.5
200.04747	1.2
201.02036	2.5
201.05626	2.8
202.02570	0.9
203.03531	3.0
203.07126	1.4
205.05078	2.1
206.69020	0.6
211.04025	2.1
212.04735	1.6
213.01997	1.1
213.05579	3.1
214.02756	1.2
215.03497	6.4
215.06897	0.6
216.04007	1.3
217.05023	3.0
225.05560	1.6
226.02713	1.1
227.03488	7.7
228.04163	2.6
229.01465	3.2
229.05037	10.0
230.02087	2.4
231.02997	4.6
231.06570	0.9
233.04550	0.9
239.03458	2.1
239.07144	1.0
240.04245	1.7
241.05057	5.6
242.02161	5.3
242.05875	0.7
242.26315	0.7
243.02953	26.2
243.06534	3.2
244.03680	4.9
245.04501	4.6
245.08243	0.7
247.06120	1.6
251.03413	1.0
253.05031	1.0
255.02962	6.6
255.06638	1.0
256.03778	3.0
257.04550	6.8
265.04999	0.6
267.02914	1.6
267.06473	0.6
268.03690	0.7
269.04443	3.8
270.01657	2.0
270.05200	1.9
271.02451	29.6
272.02951	2.0
273.04037	2.4
275.05548	3.9
280.03693	0.6
281.04568	1.8
282.01498	0.6
283.02451	3.0
283.05789	0.8
284.03217	1.1
285.04050	5.3
286.04706	1.5
287.05606	10.1
288.05811	0.6
289.07367	1.0
297.04044	1.9
299.05518	1.1
309.03790	0.7
325.07169	0.7
326.04330	1.8
327.05038	1.7
351.08743	0.8
363.08453	0.7
369.13336	2.2
389.06723	0.8
391.08185	1.8
393.09796	2.2
394.06897	12.7
395.07498	1.7
407.07712	7.6
409.09338	1.5
413.08795	2.0
419.07721	0.6
423.07346	2.2
431.07587	2.1
437.08777	5.0
449.08719	13.2
450.09082	1.1
453.08081	2.0
575.11920	100.0
576.12219	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	573.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.8
61.98831	10.4
69.03439	1.6
71.01382	1.2
71.18235	2.3
75.00883	3.3
77.03951	1.2
77.97666	1.0
89.47630	1.3
91.50826	1.0
93.03439	8.1
95.05062	2.5
96.96011	3.3
97.02940	1.9
108.02201	2.2
109.02988	2.3
110.80280	1.2
113.02474	1.2
119.05019	2.0
121.02960	21.8
122.03738	15.8
123.04539	2.7
124.01684	1.7
125.02432	7.6
132.02104	1.1
133.02934	2.6
135.02992	2.7
135.04512	3.0
136.01660	2.3
137.02446	5.4
147.04471	1.7
148.01707	1.1
149.02438	84.5
150.03230	96.5
151.03848	4.8
161.02477	1.4
163.04028	2.7
164.01135	3.3
164.04788	21.2
165.01915	4.1
165.05565	100.0
166.06351	59.3
167.07149	5.7
169.01340	1.7
175.04005	6.7
179.03532	8.0
180.04283	7.0
181.05057	3.2
181.08699	40.3
182.09102	1.3
195.06621	65.5
196.06906	3.1
225.05589	1.6
239.07127	1.7
253.05019	2.0
255.06473	2.1
257.08148	1.5
267.06580	3.1
269.08051	2.8
270.09030	1.7
285.07639	4.8
285.10837	1.2
289.07074	1.2
298.08414	3.2
299.09210	2.7
313.10809	4.9
314.11523	9.8
328.09454	2.7
329.10284	4.6
329.13901	48.5
330.14246	3.6
343.11853	60.6
344.12167	4.5
345.79858	1.1
345.84662	1.2
377.15915	2.5
391.13980	3.2
510.16751	5.6
525.21252	55.3
526.21661	5.8
573.23676	2.0
593.18030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.2
59.01376	0.8
61.98829	100.0
69.99734	0.2
70.00043	1.0
71.01389	0.2
72.57409	0.2
73.40015	0.2
79.51339	0.2
88.98814	0.4
93.03452	1.4
99.00867	0.2
101.02464	0.4
108.02155	0.2
109.02965	0.8
113.02440	0.2
121.02950	0.3
123.04517	0.4
125.02447	1.0
133.02948	0.3
137.02448	2.4
145.03082	0.2
150.03242	0.4
151.00420	0.4
151.04013	0.6
169.01491	0.2
177.01944	0.7
203.07309	0.2
212.45836	0.2
242.81924	0.2
246.12335	0.2
271.06113	0.3
289.07315	1.0
299.18964	0.3
431.12085	1.6
475.12573	0.7
535.18445	0.7
570.26550	0.7
571.27997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
59.01370	1.7
61.98829	100.0
71.01396	0.5
71.52386	0.3
85.02973	0.4
88.98821	0.5
89.02468	1.0
93.03461	2.5
95.01393	0.4
108.02182	2.0
109.02943	1.9
110.02499	0.9
113.02409	0.4
119.77747	0.3
121.02988	1.0
122.03725	0.5
123.00912	1.1
123.04587	0.4
125.02458	1.5
126.02774	0.4
127.02957	0.3
137.02451	8.3
139.00420	0.3
147.04541	0.4
151.00346	0.9
151.04039	0.7
152.01181	2.6
153.01936	1.0
165.05592	0.8
167.03517	0.5
167.54846	0.4
169.01453	1.1
172.06769	0.3
179.07149	0.4
201.05807	0.3
227.07199	0.8
236.43358	0.3
243.06581	0.6
289.07129	0.3
297.19452	0.3
361.16522	2.8
375.18329	0.4
491.54489	0.3
535.18182	0.5
570.26422	1.0
571.27283	8.1
572.27759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
58.85854	0.7
60.33410	0.6
68.76821	0.7
78.95902	65.1
89.11893	0.7
90.87875	0.7
96.95996	0.7
96.96963	14.1
98.20668	1.9
101.40881	0.6
118.78250	0.7
150.98026	0.9
152.99577	61.3
171.00739	0.7
223.00197	1.7
231.32912	0.7
241.01184	31.3
242.01559	1.2
255.23293	71.2
256.23651	4.2
265.51758	0.7
276.19626	0.7
315.04889	13.0
381.24258	0.8
391.22498	7.1
571.28876	100.0
572.29181	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	572.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.5
61.98829	100.0
88.98846	0.5
98.20685	0.8
109.02978	0.5
125.02410	0.6
128.16536	0.4
135.04546	0.4
137.02469	0.7
151.03929	0.4
173.11874	0.7
289.07266	0.7
322.73282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50941	0.4
54.21323	0.4
55.01891	0.3
57.03448	0.6
59.01379	3.9
59.39108	0.3
59.70657	0.4
60.89508	0.3
61.98830	4.8
63.75492	0.3
64.68394	0.4
65.00308	0.5
67.01883	0.8
69.03455	0.6
69.17961	3.4
70.18491	0.3
71.01377	3.9
72.99300	1.0
73.02940	0.5
79.01880	1.4
81.03439	0.5
81.61672	0.3
83.01382	1.3
83.05032	0.5
85.02954	2.0
87.00853	0.5
87.04475	0.4
87.56290	0.3
88.98792	0.5
89.02454	1.0
93.03473	0.6
95.01401	2.3
97.02926	0.9
99.00880	0.4
101.02454	2.1
104.28070	0.3
107.01394	4.9
109.02957	0.8
111.00892	2.2
113.02419	1.2
119.04981	0.3
119.96669	0.3
121.02944	0.5
123.00886	15.2
123.04497	0.3
123.39532	0.3
124.01675	1.5
125.02445	22.8
126.02798	0.4
127.00378	1.0
127.07627	0.5
127.27186	0.3
136.98801	1.3
137.02415	1.4
139.00378	5.4
139.04019	0.4
140.01181	3.2
141.01930	1.2
149.02464	0.5
149.99561	0.5
151.00369	11.7
151.03969	0.9
152.01088	0.5
153.01935	0.8
163.04025	1.0
165.01846	0.4
166.99789	0.4
167.03542	0.5
168.00655	4.3
169.01422	24.3
170.01733	0.7
175.03966	0.4
179.03450	0.6
211.02477	3.4
217.04813	0.4
238.08255	0.3
259.06055	0.5
266.88116	0.3
271.04547	3.3
285.04025	0.9
289.07236	1.0
289.60260	0.3
313.05765	2.5
364.61835	0.3
451.72366	0.3
539.23865	0.4
569.26044	100.0
570.26343	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	569.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28283	0.2
59.01374	1.1
61.98829	0.3
69.62402	0.5
69.62817	1.0
71.01365	0.5
73.02940	1.3
74.72511	0.2
83.80058	0.2
85.02943	0.2
87.00891	0.3
89.02470	0.5
99.00864	0.4
99.92587	8.9
100.92597	0.3
101.02499	0.2
108.02166	0.3
114.93414	0.3
116.92860	100.0
117.01938	2.4
117.92869	3.3
121.02904	0.3
123.00871	0.2
125.02370	0.3
133.96237	0.2
149.02425	0.4
150.03212	1.0
151.03868	0.2
153.01950	0.2
165.05579	0.9
170.96239	0.2
195.06612	0.5
264.32028	0.2
338.47699	0.2
358.50357	0.2
359.15430	0.2
371.63965	0.2
395.95767	0.2
512.20026	0.3
521.20099	0.6
569.14990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16054	1.3
55.06732	1.3
58.52433	1.4
61.98830	100.0
71.50038	1.5
153.92287	1.4
237.16986	1.4
249.23039	1.4
535.90894	1.8
578.39502	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	569.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71509	0.6
59.01377	3.4
61.50173	0.6
61.98827	38.0
62.98491	0.7
71.01396	3.7
73.02942	1.1
77.40584	0.6
78.95891	1.1
81.03468	1.2
83.01405	0.8
85.02962	3.5
87.00903	0.9
87.04496	1.0
89.02429	1.4
92.27341	0.6
93.03439	0.6
95.01408	2.3
96.95985	0.7
99.00912	0.8
101.02454	1.9
101.88493	0.6
107.01361	1.3
108.02171	47.5
109.02955	28.1
110.03269	0.7
111.00930	0.7
113.02419	1.5
113.56108	1.0
121.02924	1.6
123.00869	5.7
123.04514	1.9
123.40451	0.7
125.02431	7.0
134.03615	0.7
135.04475	1.5
137.02403	1.9
139.00340	1.6
149.02423	1.5
151.00366	3.1
151.04028	1.5
152.01151	44.2
153.01936	14.2
153.05562	1.1
161.02383	1.1
163.04010	1.4
165.01868	1.1
168.00693	1.4
169.01431	6.8
171.10233	1.2
177.01921	1.0
179.03635	0.8
182.67357	0.8
183.13870	1.1
193.04988	0.9
200.10068	0.6
203.03383	0.7
211.02399	1.3
269.04489	0.9
271.04434	1.4
271.19138	7.2
289.07074	0.9
471.09344	1.1
507.20334	2.4
569.25995	100.0
570.26459	8.9
596.72943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.75491	0.3
57.03445	0.7
58.00614	0.4
59.01381	6.2
60.31051	0.3
61.25040	0.4
61.98832	11.8
65.00320	4.3
67.01884	0.8
69.03453	0.7
70.72800	0.6
70.73137	0.5
71.01382	4.2
72.99313	0.5
73.02946	1.0
74.85530	0.4
79.01900	1.3
83.01390	3.3
85.02949	2.2
87.00883	1.0
88.98806	1.3
89.02460	1.6
93.03493	1.0
95.01394	2.8
97.02971	0.9
99.00896	0.3
101.02464	2.0
107.01394	9.2
109.02983	0.7
111.00871	2.5
113.02467	1.6
119.03503	0.5
121.02982	1.4
123.00885	14.9
123.04520	1.7
124.01691	2.9
125.02449	27.2
126.02721	0.5
127.00420	0.9
133.02995	0.8
135.04539	1.3
135.72327	0.4
136.98828	1.3
137.02463	2.4
139.00377	5.7
139.03990	0.9
140.01154	3.9
141.01947	1.4
143.04997	0.4
149.02399	0.6
149.99568	1.7
150.03233	1.2
151.00363	29.7
151.03990	2.9
152.01056	1.5
153.01932	1.5
153.05595	0.5
154.62595	0.4
157.06686	0.5
161.02463	0.5
163.04008	0.4
165.05548	0.5
166.99910	0.5
167.03520	0.5
168.00636	6.4
169.01421	25.9
170.01784	0.5
175.03976	0.8
177.01959	1.3
178.99858	2.7
179.03502	0.5
181.01411	0.5
182.02257	0.6
185.06113	0.9
193.05099	0.5
197.04495	2.0
199.03917	0.7
203.07175	0.4
209.43689	0.4
211.02480	3.5
217.05142	0.6
227.07108	5.5
241.05135	0.8
251.81371	0.4
253.03635	1.2
257.07932	0.4
271.04575	3.4
285.04022	10.3
286.04486	1.2
289.07416	0.5
302.04205	0.8
303.05078	2.5
313.05597	2.0
341.08694	5.5
403.17120	0.4
417.11908	1.1
539.22778	1.0
551.22693	1.9
569.26074	100.0
570.26379	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	569.1875
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
55.01878	0.8
59.01381	4.5
61.98829	5.6
65.00339	0.8
67.01881	1.3
69.03448	0.7
69.25080	4.0
71.01383	6.1
72.99306	0.9
73.02946	1.4
75.00861	0.7
79.01891	1.5
83.01379	1.8
85.02940	1.7
87.00873	1.4
88.98827	0.5
89.02436	2.2
93.03448	0.9
95.01396	1.9
96.95998	1.2
97.02937	1.0
101.02427	3.0
107.01396	5.9
109.02939	0.7
111.00883	3.2
113.02434	2.2
119.03482	1.0
121.02971	4.0
123.00887	18.9
123.04520	0.7
124.01634	1.9
125.02447	24.5
126.02784	0.8
127.00365	2.1
135.04524	1.0
136.98808	2.2
137.02417	0.9
139.00362	7.5
139.04015	1.0
140.01157	5.0
140.08746	0.6
141.01918	1.9
149.02432	0.8
150.03169	1.2
151.00377	11.1
151.04001	1.5
152.01057	0.7
153.01955	1.1
153.27986	0.5
154.99908	0.6
156.91367	0.4
163.04027	0.8
165.01938	0.7
165.05600	1.2
166.06358	16.7
167.03642	0.8
167.07115	1.2
168.00638	9.0
169.01427	27.8
171.10309	3.9
177.04071	0.7
181.01474	0.7
181.05098	0.8
181.08691	5.9
183.03009	2.0
195.02893	0.9
195.06610	1.2
197.30580	0.5
209.11880	0.8
210.01675	0.7
211.02415	4.0
223.02379	0.6
225.04095	3.0
271.04672	1.4
285.06134	1.4
287.09171	0.7
313.05563	1.6
341.10687	0.8
354.98938	0.5
387.09341	2.6
397.13464	0.9
400.74545	0.5
415.14777	0.7
569.18628	100.0
569.26263	16.4
570.19031	8.9
570.26630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57443	0.2
59.01364	0.6
61.98829	100.0
62.56772	0.2
65.44164	0.2
70.64717	0.4
71.01379	0.4
85.02991	0.2
99.00847	0.2
101.02445	0.2
108.02217	0.3
109.02960	0.3
123.04557	0.2
125.02493	0.3
137.03964	0.2
138.41156	0.2
142.01671	0.2
151.00423	0.2
152.01166	0.2
311.96262	0.2
406.22714	0.2
466.35892	0.2
508.36130	0.2
529.08545	0.2
568.24896	0.4
569.13031	0.3
569.26416	0.7
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
59.01369	0.5
61.98827	100.0
71.00578	0.3
71.00949	0.2
71.01396	0.6
74.77454	0.2
75.92840	0.2
85.02931	0.2
87.89567	0.2
89.02452	0.3
101.02472	0.2
112.23927	0.2
123.04530	0.6
125.02451	0.4
143.03653	0.2
151.00375	0.3
151.03984	0.2
152.01155	0.3
153.01894	0.3
153.05588	0.4
165.12813	0.2
166.67003	0.2
167.03490	1.7
168.03882	0.2
183.13895	0.3
209.11874	0.6
361.12653	0.2
385.44315	0.2
568.28577	2.2
569.26801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.5
59.01376	3.6
61.98830	11.9
63.02397	1.1
65.00324	21.0
67.01909	0.7
69.03451	0.4
69.66079	1.8
71.01390	2.8
72.99319	0.5
73.02940	1.0
79.01896	0.5
81.03480	0.4
83.01384	9.2
85.02963	2.0
87.00876	0.4
88.98825	0.6
89.02411	1.2
93.03455	4.9
95.01375	1.9
97.02940	0.8
99.00874	0.6
101.02432	1.2
107.01391	25.8
107.05034	0.4
108.02225	0.5
108.99281	0.7
109.02937	1.5
111.00903	2.4
113.02434	1.1
119.05002	0.6
121.02968	1.3
122.03696	0.5
123.00885	9.8
123.04518	6.9
124.01663	2.9
125.02450	30.8
126.02757	0.7
127.00370	0.4
133.02971	3.4
135.04500	4.3
136.01616	0.5
137.02443	7.3
139.00377	3.2
139.04005	1.0
140.01172	2.4
141.01962	1.1
143.05095	0.6
147.04536	0.9
149.02426	2.3
149.99583	0.6
150.03236	4.9
151.00366	100.0
151.03981	15.0
152.01161	10.3
152.04413	0.4
153.01979	2.5
155.04988	0.4
161.02382	0.7
161.06052	0.7
163.00381	0.4
163.03981	0.5
165.01958	0.5
167.03372	0.4
168.00655	2.9
169.01421	14.7
170.01768	0.5
171.04581	0.7
171.10217	2.2
173.06038	0.5
174.03220	0.7
175.03981	3.6
177.01930	5.7
178.99854	16.4
179.03433	0.7
180.00218	0.5
185.06096	0.7
185.79350	0.4
187.03836	0.5
189.05611	1.2
193.04944	0.5
197.04517	0.6
197.06123	0.5
198.03285	0.6
199.04008	4.6
201.01950	1.1
209.04643	0.4
211.02480	1.6
213.05606	0.9
215.03503	1.0
216.04132	0.5
217.05101	2.7
227.07117	2.7
229.05066	0.6
239.03568	0.8
241.05119	3.9
243.03056	0.6
257.04498	2.5
258.05167	0.4
259.06155	1.0
265.07245	0.9
267.03012	1.1
271.04443	1.9
275.05502	0.8
285.04044	59.6
286.04364	3.3
289.07291	0.5
302.04285	3.1
303.05093	12.0
304.05350	0.5
313.05533	0.7
341.08649	2.6
352.61136	0.4
417.11862	5.8
443.09970	1.0
493.33160	0.4
536.21906	0.5
539.22961	0.6
551.11993	0.7
551.23053	1.3
569.13287	8.6
569.26044	57.4
570.13110	0.7
570.26605	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	568.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12360	0.2
52.56010	0.3
59.01381	1.4
61.98828	100.0
69.32759	0.6
69.33176	1.1
71.01379	0.7
89.02435	0.6
90.87468	0.3
93.03472	0.3
96.57188	0.2
96.62788	0.2
96.96029	0.3
98.20617	0.4
101.02465	0.3
108.02206	0.5
108.59039	0.2
109.02938	1.7
116.37717	0.2
119.04965	0.2
123.00896	0.4
123.04554	0.5
124.01719	0.4
125.02441	1.7
137.02477	0.7
145.03009	0.2
149.02481	0.2
152.01169	1.5
153.01918	3.0
153.05495	0.4
169.01366	1.1
177.01831	0.2
195.02974	5.7
251.38219	0.2
255.05080	10.4
256.05600	0.5
285.04047	0.2
286.04517	0.3
315.07089	1.4
430.62927	0.2
448.11783	0.4
505.20996	0.8
568.24774	1.4
569.26306	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	568.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88226	12.2
53.04130	13.1
59.01375	67.2
61.98830	97.3
67.55633	12.0
70.49339	23.6
70.49715	24.9
71.01379	25.8
72.99313	37.8
73.02930	17.4
83.01391	16.5
89.02431	31.9
99.00890	21.0
101.02445	14.0
114.01980	27.0
116.92862	100.0
117.01933	43.1
117.92872	46.2
123.00881	15.1
123.04599	15.7
125.02430	51.3
137.02402	54.6
139.07567	18.2
142.99835	50.2
149.06091	13.9
152.01068	14.3
153.05540	38.3
161.02350	14.0
167.07127	30.8
169.01460	17.0
173.00850	23.2
174.01674	43.0
176.23912	12.6
182.05765	16.9
192.02255	14.8
197.08195	32.2
225.07605	42.9
232.06212	28.8
240.59747	13.0
331.66687	15.4
359.91989	14.9
383.47183	14.0
534.01508	15.0
567.23810	13.9
568.24969	95.7
569.18011	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92822	0.2
59.01097	0.2
59.01379	0.6
61.98831	100.0
67.97583	0.2
69.32011	1.5
98.20673	0.3
103.66750	0.2
107.76966	0.2
109.03006	0.3
121.54320	0.2
123.00889	0.3
125.02438	0.4
135.82491	0.2
137.02432	0.2
140.01164	0.2
147.73074	0.2
149.41542	0.2
150.03230	0.2
151.00360	0.4
161.29761	0.2
169.01445	0.6
190.24785	0.2
207.84035	0.2
226.84102	0.2
235.94437	0.2
256.44354	0.2
310.58438	0.2
423.05048	0.2
477.01523	0.2
516.63000	0.2
568.25018	0.8
569.26221	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	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31304	0.5
55.05761	0.5
57.03445	1.0
59.00924	0.6
59.01379	7.0
61.98833	2.3
65.00325	0.8
67.01891	1.0
71.01373	4.8
73.02951	3.2
79.01889	0.8
81.03484	1.0
83.01396	0.7
85.02964	2.2
89.02445	5.7
91.01902	1.0
95.01398	1.8
97.02953	0.6
99.00877	9.2
99.92577	5.1
101.02453	2.2
106.90013	0.5
107.01388	31.7
108.01694	0.8
109.02974	1.3
111.00906	1.7
113.02452	3.4
116.92860	54.1
117.01927	1.5
117.92867	2.8
118.92632	0.8
119.03496	1.3
121.02978	1.7
123.00891	8.6
123.04548	3.1
124.01672	1.1
125.02444	69.5
126.02782	1.6
131.03502	0.8
135.00903	1.3
135.04523	0.5
137.02434	0.7
139.00366	2.4
139.38707	0.6
140.01152	0.8
142.50441	0.5
149.04584	0.7
151.00381	5.9
151.03937	0.8
152.01118	1.4
153.01921	2.7
159.14185	0.5
161.02446	0.9
161.04477	0.9
163.03951	0.7
166.06346	5.4
167.03493	10.8
168.00543	0.6
169.01421	100.0
170.01796	2.9
179.03508	1.2
181.08710	2.4
191.05556	1.5
194.05894	0.7
197.04514	0.7
209.08138	2.1
285.03864	0.8
449.10767	0.5
471.32651	0.6
567.16943	90.0
568.17279	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	567.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.0
58.06081	0.5
59.01384	1.7
59.31311	0.5
61.49638	0.7
61.98828	1.6
71.01379	2.8
71.51670	0.7
72.99300	1.3
73.02936	0.9
73.31919	0.4
74.81827	0.5
75.00870	0.7
83.01393	0.6
85.02946	3.0
87.00877	0.7
88.64295	0.5
89.02427	0.9
93.03455	17.8
94.77216	0.4
95.01421	1.0
99.00877	1.4
101.02462	1.7
103.50586	0.5
108.02174	53.4
109.02972	12.3
113.02460	1.7
120.98999	0.5
121.02968	3.3
123.00894	0.9
123.04526	1.4
125.02444	3.0
133.02921	0.6
135.04552	1.4
137.02441	27.8
138.02800	0.6
149.02480	0.5
151.03973	1.5
152.01147	100.0
153.01901	4.6
161.02448	0.8
161.04550	0.8
163.04025	4.1
163.59901	0.5
164.69954	0.5
177.01950	1.3
179.03494	1.4
190.48537	0.5
207.03026	0.9
209.04608	2.3
209.44897	0.5
237.79410	0.5
243.03168	0.6
269.04587	0.7
297.06058	0.7
315.07092	1.5
359.11664	0.8
405.15649	1.4
429.10364	18.9
430.10681	1.1
447.11432	17.4
448.11676	1.1
475.08432	0.5
567.13507	81.3
568.13885	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	566.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
67.84676	2.1
70.26228	2.3
71.49359	2.7
78.95868	2.8
130.47693	2.3
160.66624	2.5
167.78015	2.4
169.60144	2.5
244.14214	2.3
245.04410	2.9
304.94547	2.4
353.43933	2.5
481.25461	2.9
487.44681	2.6
525.81451	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	567.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35632	0.2
59.01370	0.5
73.02931	0.4
85.02930	0.5
99.92583	11.2
100.92616	0.5
107.01398	0.3
108.02161	0.2
116.92862	100.0
117.01949	0.6
117.92883	3.2
123.00852	0.4
125.02451	0.6
131.69336	0.2
150.53349	0.2
150.69287	0.2
151.00389	1.4
168.00594	0.2
169.01445	0.6
178.99854	0.3
191.01991	0.4
202.90274	0.2
285.04034	0.6
297.25250	0.2
303.05038	0.3
415.19730	0.3
449.11011	0.5
549.03442	0.2
567.17212	0.6
567.24866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01379	2.3
61.98831	10.1
65.00330	0.7
71.01382	1.6
71.52132	0.4
72.70863	0.3
73.02950	0.8
75.00861	0.3
81.03448	1.9
83.01395	1.0
83.69874	0.3
85.02940	0.5
88.98831	0.4
89.02451	0.9
89.25510	0.3
93.03458	2.0
95.01395	0.3
99.00877	0.7
99.92584	11.4
100.92603	0.5
101.02453	0.9
107.01392	2.3
108.02180	0.7
109.03006	0.5
110.15247	0.3
113.02458	0.5
114.93449	0.3
116.92860	100.0
117.01937	1.2
117.03390	0.4
117.92876	3.2
119.05016	2.1
123.00891	0.5
123.04529	6.3
124.01691	0.4
125.02450	7.1
132.02180	0.5
133.02959	9.7
135.04510	4.2
137.02463	1.4
149.02397	0.4
149.06125	0.5
150.03171	0.7
151.00362	4.2
151.04021	0.8
152.01173	1.3
153.01929	0.4
157.25934	0.3
161.02446	28.3
162.02824	0.7
163.04028	0.4
167.03490	15.6
167.82831	0.3
168.03864	0.4
169.01422	4.6
177.02005	0.3
177.05542	0.5
178.99930	0.5
179.03484	4.8
179.04990	0.4
189.05486	0.4
221.04550	0.9
222.75323	0.3
248.21341	0.3
273.07687	19.4
274.08124	0.7
281.06726	0.5
285.03970	1.1
303.05106	0.8
405.24951	0.3
429.10330	0.8
449.10800	1.8
567.16815	5.4
567.24487	25.9
568.16895	0.6
568.24854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88500	0.1
59.01388	0.1
61.98828	100.0
71.52467	0.1
93.18678	0.1
94.01487	0.1
101.02528	0.1
125.02432	0.2
140.01236	0.1
169.01387	0.1
175.96198	0.1
183.73782	0.1
191.61931	0.1
272.20163	0.1
425.31409	0.1
503.25247	0.1
509.40002	0.1
567.16559	0.1
567.24567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98829	100.0
62.98566	0.2
67.03589	0.2
69.32958	0.4
69.33373	1.0
71.92685	0.2
85.02960	0.3
92.14469	0.2
92.74683	0.2
93.47181	0.2
108.02171	0.4
109.02988	0.4
123.00909	0.2
123.04511	0.6
125.02454	0.7
137.02457	0.4
151.00403	0.2
151.03932	0.3
152.01151	0.6
153.05576	0.7
154.02220	0.2
154.05949	0.2
155.03525	0.2
167.03461	0.2
168.00696	0.2
169.01489	1.0
177.04120	0.3
179.03493	0.4
206.02908	0.2
268.26334	0.2
408.58896	0.2
506.33917	0.2
531.28430	0.2
537.21991	0.3
566.22723	0.2
567.24426	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	566.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50066	0.2
50.84096	0.3
59.01375	0.7
61.98827	100.0
65.47920	0.2
69.86238	1.3
71.01384	0.4
75.73911	0.3
78.95916	0.3
93.03414	0.3
104.03539	0.4
118.40441	0.3
137.02432	0.7
151.00429	0.3
161.42632	0.3
181.01550	0.2
221.29332	0.3
221.89377	0.3
228.73918	0.3
280.67514	0.3
506.29910	0.3
566.23907	0.3
567.24719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24661	0.6
57.03426	1.1
57.95498	0.5
59.01377	9.5
61.98827	22.6
69.03441	1.4
71.01381	5.3
73.02948	1.6
79.01914	0.6
79.37109	0.7
80.48157	0.7
81.03451	2.1
83.01378	0.9
85.02941	5.5
87.00858	0.9
89.02437	1.8
93.03458	0.8
95.01386	3.8
96.96018	1.1
97.02937	0.8
98.20678	1.1
99.00880	0.8
99.04500	1.9
101.02427	2.8
105.01927	1.7
107.01363	1.1
108.02172	63.4
109.02956	41.7
112.98534	0.8
113.02422	2.4
115.03989	0.6
116.92813	0.7
121.02951	1.5
123.00871	4.7
123.04520	3.5
124.01560	0.8
125.02444	2.8
133.03003	0.7
134.03799	1.0
135.00806	0.9
136.01672	3.2
137.02414	2.5
148.01657	1.1
149.02437	1.0
149.06042	0.7
151.00337	2.3
151.03998	9.1
152.01152	63.7
153.01942	21.5
153.05537	0.9
161.04541	1.2
163.03957	1.7
165.01965	1.1
165.05551	0.8
167.03546	3.0
167.26717	0.6
169.01367	0.8
177.01848	1.0
179.03342	0.7
231.06479	1.5
242.39285	0.7
253.04932	0.8
267.16107	3.1
270.21082	0.7
271.06198	1.3
273.94354	0.7
325.14514	1.2
328.12994	1.0
329.23254	1.3
343.15479	12.8
344.15814	0.7
417.11990	1.5
505.33722	1.8
529.26318	1.1
565.22833	100.0
566.23474	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
59.01372	5.2
61.98824	6.7
69.03453	0.6
69.56727	3.2
71.01382	6.4
73.02934	1.3
81.03438	1.9
83.01376	2.0
85.02963	4.3
87.00908	0.6
89.02468	0.6
93.03462	1.4
95.01399	3.5
99.00868	0.7
101.02432	2.3
107.01379	0.7
107.05051	0.8
108.02175	67.8
109.02958	43.2
113.02458	1.7
116.92856	1.4
121.02923	1.6
123.00885	1.8
123.04504	2.2
125.02404	1.4
126.46152	0.6
133.02951	1.2
135.04529	1.6
137.02432	1.1
138.82350	0.6
147.65059	0.5
151.03972	2.3
152.01151	74.1
153.01939	28.7
153.05484	0.6
154.02336	0.8
161.04509	1.3
161.09705	2.0
161.13354	1.0
163.04010	2.5
163.11343	0.9
165.01895	2.0
169.01459	0.7
177.01930	1.0
187.11282	1.5
189.09203	1.8
207.10226	0.8
253.09297	0.7
283.38098	0.6
313.05606	0.7
315.07214	25.3
316.07394	0.9
327.21805	1.9
328.21915	2.2
329.22433	1.0
357.08209	3.0
365.30850	0.6
374.29758	0.7
397.09433	0.6
415.41650	0.6
457.20517	0.6
464.36951	0.7
503.19202	4.3
505.17105	2.9
521.20233	10.1
522.20422	1.2
540.29578	0.6
547.18207	2.2
565.19202	100.0
566.19537	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	565.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36918	0.2
59.01376	2.3
59.20298	0.2
61.98825	2.5
65.00326	1.6
67.01855	0.2
68.99837	0.2
69.18125	2.2
71.01379	1.6
73.02954	0.8
79.72485	0.2
81.03434	0.3
83.01376	0.5
85.02963	0.8
87.00867	0.5
89.02425	1.4
91.01892	10.8
92.02249	0.3
95.01393	0.8
98.19921	0.4
99.00883	2.1
101.02435	0.5
108.02165	3.6
109.02975	0.3
110.61320	0.2
111.00871	1.3
113.02465	1.0
117.07156	0.2
120.01639	0.2
121.02952	0.3
123.00869	0.6
123.04522	34.6
124.01678	1.1
124.04865	1.2
125.02434	0.3
131.03511	0.4
139.00369	0.5
152.01161	3.9
153.05577	7.8
161.04518	0.3
161.09747	0.4
161.81277	0.2
167.03487	100.0
168.03851	3.3
191.05620	0.3
255.06682	0.4
256.07181	0.2
271.09866	1.0
271.60596	0.2
274.75177	0.2
275.47525	0.2
315.10858	1.1
333.29684	0.2
373.22412	0.6
397.15158	0.2
411.16638	0.3
415.16068	0.3
509.72595	0.2
523.79749	0.2
565.21912	2.8
566.23120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52895	0.6
69.78651	1.3
69.79046	1.8
78.95911	0.7
84.39798	0.6
84.44837	0.6
84.76039	0.6
87.04512	51.0
88.04839	0.6
96.96001	0.9
98.19959	0.9
105.47826	0.6
113.02429	4.5
131.03494	100.0
132.03804	1.7
152.18587	0.8
212.65269	0.7
323.03082	0.7
332.83514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1925
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03437	1.0
59.01376	10.0
61.98830	29.5
69.43479	4.5
71.01382	8.7
71.71268	0.7
73.02920	2.6
75.00859	0.8
78.95885	1.1
81.03442	2.5
83.01385	1.6
85.02954	5.6
87.00883	1.4
89.02418	1.8
91.01878	0.6
93.03446	1.5
95.01395	4.3
99.00841	2.0
101.02429	4.2
107.01364	0.8
107.04974	0.7
108.02174	60.9
109.02962	38.1
110.03228	0.8
113.02438	3.4
121.02931	2.3
123.00889	3.2
123.04521	5.7
123.88245	0.7
124.01629	0.7
125.02492	4.0
133.02873	0.9
134.03748	0.9
135.00835	0.7
135.04485	1.5
137.02396	2.3
150.03151	1.0
150.73297	0.8
151.00368	1.5
151.03972	4.1
152.01151	71.3
153.01938	28.8
153.05479	2.9
161.04514	2.0
161.09671	2.4
163.03989	1.4
163.11253	1.2
165.01863	2.7
165.05618	0.8
165.54630	0.7
166.02902	0.6
167.03473	4.7
169.01453	1.3
175.03999	0.8
177.02007	0.6
178.99800	0.8
179.03529	0.9
187.11203	2.9
189.09152	0.9
205.12315	3.3
207.10287	0.9
211.13307	0.9
229.14232	1.2
249.11227	0.6
253.09259	1.9
287.50769	0.7
297.06192	0.8
315.07196	26.0
316.07349	1.1
329.23279	3.4
473.04922	0.6
503.19370	4.6
505.17169	4.6
505.33331	2.5
506.16763	0.9
521.20428	5.8
529.26501	4.5
547.18018	3.2
565.19055	100.0
566.19556	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	564.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98830	100.0
66.22889	0.4
92.82137	0.4
97.60133	0.3
101.02478	0.5
116.41168	0.3
119.04957	0.4
123.04550	1.1
141.19081	0.4
149.50906	0.4
153.05614	1.2
196.23433	0.4
327.22061	0.5
328.22195	1.2
371.50861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0475
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
52.94650	0.4
53.15165	0.4
54.83714	0.4
58.59459	0.4
58.66085	0.3
62.96404	0.4
68.85943	0.4
69.92692	2.1
77.91657	0.4
78.95903	100.0
96.96961	35.9
98.19922	0.5
108.70428	0.5
111.02003	8.8
118.90926	0.4
120.96938	1.5
138.98016	3.5
150.98006	2.7
158.92534	13.4
168.98993	0.5
174.97971	0.7
176.93585	1.2
192.99007	1.4
211.00117	4.9
241.01151	8.3
272.95782	4.4
278.80264	0.5
280.02246	2.0
305.01880	1.6
320.97794	2.3
323.02832	62.2
324.03162	2.1
384.98456	4.9
402.99356	1.3
467.07028	0.6
504.95425	1.0
565.04773	19.2
566.04962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81496	1.6
53.43874	1.3
59.01368	2.2
61.98820	3.1
65.00317	3.2
67.51590	1.2
69.73704	6.7
71.01362	1.5
92.23028	1.2
100.92686	1.4
103.44637	1.2
104.02690	1.4
109.02950	2.6
117.07152	1.9
121.02956	1.8
121.06580	5.9
123.04536	16.0
133.02962	2.2
135.04482	5.7
145.06616	7.4
147.04474	1.6
149.02431	4.3
149.99561	2.8
150.03217	24.6
151.04016	32.5
158.03745	2.6
161.02408	2.6
161.09735	2.3
163.00319	2.0
163.04057	1.8
163.07626	10.0
175.00366	1.5
175.03995	10.4
176.01279	1.9
177.01930	9.8
187.07664	8.2
189.01895	3.1
189.05664	3.2
199.04053	2.2
201.01988	1.7
203.03514	3.9
203.07095	4.2
204.07886	6.7
205.08665	21.8
217.05075	2.9
231.06607	53.1
232.07326	18.5
233.08052	4.8
259.06073	13.1
260.06845	11.7
261.07590	2.7
297.09802	2.3
309.03995	3.1
310.04779	2.1
321.11221	1.8
352.76038	1.4
355.11798	7.4
365.10254	100.0
366.10556	10.0
382.10474	4.7
383.11331	92.1
384.11880	7.2
529.17096	48.0
530.17517	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	563.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03446	2.3
58.00594	1.0
59.01381	45.9
61.98835	8.0
63.98682	0.9
69.03458	1.0
69.21172	8.5
71.01381	35.3
72.99304	1.4
73.02942	14.5
75.00857	1.0
75.70049	0.7
83.01383	12.8
85.02946	23.0
86.27516	0.8
87.00893	1.7
89.02449	8.6
95.01389	2.6
97.02937	1.4
99.00883	5.6
101.02444	38.1
103.04015	2.5
105.01954	0.8
113.02443	14.1
117.03478	1.3
119.03462	1.6
119.05007	4.1
121.02980	1.1
121.59396	0.8
123.04460	0.9
125.02393	2.0
129.01862	1.3
141.85117	0.9
143.03496	1.3
159.03018	2.4
161.04553	11.9
163.03970	5.4
163.06097	2.5
171.10294	2.5
253.09239	2.1
255.51480	1.0
302.07990	1.8
317.10196	2.9
327.21701	8.0
357.22818	47.1
358.23242	2.5
431.47403	1.0
503.28616	100.0
504.28973	7.9
563.18457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.50088	3.2
78.95918	2.0
83.77500	2.1
87.03265	2.0
108.16677	1.9
126.12634	1.9
223.13411	17.0
399.61362	2.2
416.12521	2.2
471.01617	2.8
502.97672	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	564.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52409	0.3
54.07752	0.3
57.03455	0.8
59.01372	0.7
61.98829	100.0
68.99571	5.3
71.01382	0.6
71.47135	0.5
73.02966	0.4
75.27071	0.3
83.01390	0.4
85.02946	0.4
89.02449	0.4
91.56490	0.4
99.92609	0.7
104.56094	0.3
107.01402	0.8
108.02167	0.6
109.02951	0.7
112.98559	4.6
113.98928	0.7
114.93410	1.8
116.92873	5.8
119.05032	0.6
123.04550	0.8
123.08250	0.3
124.01683	0.8
125.02444	5.2
126.02746	0.5
137.02472	0.7
139.04005	0.9
151.00389	1.7
151.03989	2.1
152.01089	0.7
153.01936	0.5
161.02501	0.9
165.01955	0.4
167.03455	0.4
169.01392	0.3
237.14963	0.4
243.02982	0.6
245.04657	0.3
245.83405	0.3
257.08282	0.4
271.06229	0.8
281.14059	0.6
289.07156	0.3
290.02911	0.3
292.84058	0.3
371.20831	0.3
372.21106	0.3
450.11142	0.5
453.06573	0.3
534.40900	0.4
563.98737	0.4
565.15601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39330	1.2
55.01873	2.9
57.03440	3.0
58.00614	2.6
59.01379	77.8
61.98833	19.7
69.03429	2.1
71.01379	43.5
72.99310	4.6
73.02945	23.0
83.01385	8.1
85.02953	21.0
87.00882	5.9
87.04517	2.2
89.02451	27.2
95.01374	3.4
98.19824	2.0
99.00874	2.8
101.02446	66.7
103.04010	17.5
113.02457	12.7
115.03997	3.2
119.03491	14.4
125.02439	5.4
127.04050	1.8
131.03491	5.6
143.03487	8.8
145.05016	6.6
159.02928	1.7
161.04587	3.9
163.06126	100.0
171.10275	21.0
179.05609	2.2
205.07179	27.4
209.56310	1.5
235.08101	1.4
265.09216	12.0
267.73776	1.5
325.11292	2.3
355.21277	11.9
448.13306	1.4
501.27121	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
61.98828	9.2
64.88733	0.6
65.00328	10.4
68.99804	2.5
69.87656	3.8
71.01381	1.5
72.99294	0.8
73.02946	0.8
83.01381	2.2
85.02947	0.7
87.00877	1.3
89.02443	1.2
93.03453	1.8
93.07107	1.7
95.04980	0.8
101.02441	1.1
104.02706	1.4
105.03448	1.7
108.02171	2.6
109.02975	4.6
111.08173	1.0
112.97055	0.7
113.39622	0.7
114.05048	0.7
117.07101	2.9
119.08652	2.1
121.02953	2.7
121.06583	12.1
122.03738	1.7
123.04520	26.8
123.50438	0.7
124.01594	1.1
125.02448	1.6
132.02165	2.8
133.02933	4.5
134.03717	1.5
135.04529	9.0
136.01637	1.7
137.02443	1.0
137.06104	0.9
137.09680	1.6
143.08641	1.6
145.02953	2.1
145.06596	12.4
146.03743	0.8
147.04541	1.1
147.08145	4.2
149.02417	6.4
149.99568	0.9
150.03217	37.4
151.00362	2.4
151.04005	51.9
152.04376	2.2
153.05594	1.3
153.09132	1.0
158.03748	3.4
159.08165	1.2
160.01616	0.8
161.02454	2.6
161.06071	0.7
161.09731	5.4
163.00352	2.5
163.04066	1.0
163.07642	15.6
164.01137	2.9
167.03476	0.9
171.10265	24.4
172.05276	1.3
172.10660	1.2
173.02425	0.8
174.03209	1.7
175.00421	0.9
175.03986	6.7
176.01131	4.3
176.29729	0.8
177.01923	17.2
177.09204	1.2
177.13144	0.7
178.99965	1.1
179.03471	7.1
179.07115	0.9
180.00641	0.7
187.04088	1.2
187.07632	15.4
189.01877	0.9
189.05511	1.9
189.09082	0.9
191.03426	1.2
192.00601	1.9
193.05035	1.1
199.04028	2.4
201.01904	4.5
203.03488	2.3
203.07126	2.7
204.07896	2.3
205.01442	6.4
205.08682	26.9
206.09105	1.0
207.02972	0.8
215.03276	1.1
217.05003	2.6
219.02992	2.0
219.10202	5.0
220.10553	0.8
223.99686	1.2
231.06602	100.0
232.07130	8.4
233.05997	1.4
233.08150	9.5
234.08739	1.1
235.09700	0.8
237.11301	5.6
243.02969	1.7
247.06104	0.9
249.07671	26.3
253.09248	1.2
259.06140	6.5
260.06961	2.6
261.07623	2.4
263.05869	2.1
263.09210	48.8
264.09586	2.7
285.03998	0.9
291.08731	9.7
292.09378	1.3
297.04260	1.2
297.09766	14.0
298.09946	0.9
309.04117	4.3
310.04715	5.1
321.11194	1.7
323.07684	2.7
324.08340	0.9
337.10815	1.2
339.12354	1.2
347.09109	1.4
355.11856	3.8
365.10266	76.8
366.10596	6.7
382.10339	1.5
383.11316	30.9
384.11630	2.4
387.10565	0.8
397.09036	3.6
397.13168	21.8
398.13339	2.1
415.14200	9.2
416.14151	1.6
483.72540	0.7
529.17114	16.1
530.17639	2.5
561.19666	9.7
578.43561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14237	0.6
59.01376	3.0
61.98819	2.7
65.00321	7.6
68.73356	0.6
68.99807	1.5
70.98241	0.9
70.98576	1.3
71.01380	1.4
83.01388	1.7
85.02939	1.7
107.32274	0.6
107.62775	0.6
108.02177	2.6
109.02936	2.3
110.00095	1.8
115.20486	0.6
117.07104	3.4
119.08654	2.0
121.02946	1.8
121.06584	9.8
122.03706	1.3
123.04522	12.3
129.01941	0.9
131.05058	0.8
132.02148	1.0
133.02965	3.5
134.03702	1.5
135.00882	0.8
135.04523	12.5
136.01648	0.9
137.02393	1.2
137.09743	0.9
139.03957	0.8
143.04980	0.7
143.08646	0.8
145.02931	1.4
145.05524	1.0
145.06595	11.9
146.03748	0.7
147.04497	2.7
149.02417	5.1
149.99567	1.1
150.03227	17.3
151.04001	27.6
152.01106	1.1
152.04340	0.9
155.04936	0.7
158.03711	1.5
159.04472	1.2
160.01605	0.8
161.02415	2.4
161.06030	1.1
161.09695	3.6
163.00409	4.3
163.07635	11.9
164.01154	1.1
171.10300	1.2
172.05222	0.9
173.02412	0.6
173.06036	0.7
174.03212	1.8
175.00333	1.5
175.03995	7.8
176.01134	1.0
177.01921	13.5
187.04021	1.1
187.07660	11.0
188.04703	0.8
189.01872	1.1
189.05562	4.9
189.09334	0.6
190.99899	1.1
191.03487	2.0
192.00644	1.4
193.04985	1.5
199.04002	1.8
201.01923	3.1
201.05367	0.7
203.03523	5.5
203.07155	1.9
204.07954	3.8
205.08688	22.8
206.09032	1.2
211.03961	0.7
215.03452	0.9
216.04208	0.7
217.05032	8.6
218.05464	0.6
219.02933	2.2
223.99394	0.7
227.03474	0.7
231.06607	58.5
232.07339	17.2
233.08116	3.8
243.02992	1.2
249.07785	1.5
251.10370	0.8
259.06088	17.2
260.06781	4.6
261.07562	1.9
261.15491	0.8
263.09262	1.4
265.05295	0.7
282.05191	0.8
284.03052	0.7
291.08667	2.0
293.11798	0.8
297.03854	0.7
297.09683	3.4
298.04849	0.8
309.04074	5.2
310.04791	5.0
311.30209	0.7
321.11453	1.9
323.07816	1.7
335.05499	0.8
337.10709	1.7
339.12436	1.5
347.09363	1.0
355.11859	5.2
365.10284	100.0
366.10593	8.1
382.10501	2.5
383.11334	43.9
384.11676	4.5
397.12973	2.5
469.16699	0.7
529.17151	50.9
530.17365	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	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36394	0.6
59.01370	3.4
59.01873	0.6
61.98833	7.7
65.00328	7.4
68.99822	1.2
69.14787	2.2
69.15212	4.2
71.01405	1.4
73.39763	0.6
75.73844	0.6
82.27697	0.6
83.01403	1.1
85.02981	1.0
87.00885	0.7
89.02437	1.1
93.03498	0.7
103.04053	0.7
107.04945	0.7
108.02159	2.2
109.02956	2.8
110.00102	1.0
115.05524	1.0
115.80895	0.7
117.03458	0.8
117.07095	3.0
119.08682	1.6
121.02956	1.9
121.06594	8.6
122.03785	1.2
123.04523	12.3
124.01636	0.9
125.02485	0.7
125.97655	0.7
131.05032	0.9
133.02966	3.1
134.03734	1.4
135.04524	15.2
136.01662	1.8
137.02449	0.8
137.09715	1.0
139.04070	1.0
143.08675	0.9
145.02948	1.2
145.06584	11.1
147.04506	1.9
149.02440	4.5
149.99553	0.9
150.03224	15.9
151.00417	0.6
151.04012	27.6
158.03625	1.6
159.04526	1.5
159.08121	0.7
161.02417	2.2
161.06158	0.9
161.09741	4.3
163.00398	4.0
163.07642	11.6
164.01140	1.5
165.01939	0.7
171.04459	0.7
171.10233	1.7
172.05255	1.1
173.02435	1.0
173.06032	0.7
174.03247	2.4
175.00365	1.7
175.03978	8.3
176.01120	0.8
177.01936	12.5
185.06198	0.7
187.04002	1.1
187.07646	13.5
189.01913	1.2
189.05510	3.3
190.99808	1.0
191.03497	2.4
192.00591	0.8
193.05019	0.9
199.04012	1.7
201.01842	3.0
202.99829	0.8
203.03487	6.1
203.07118	2.2
204.07906	4.8
205.08679	22.8
206.09012	1.2
209.05943	0.8
209.11774	0.7
211.13319	1.0
215.03441	1.0
216.04210	1.1
217.05061	7.1
219.03004	2.1
223.99609	1.3
231.06607	61.4
232.07353	17.3
233.08163	4.0
237.05484	0.7
249.07690	2.3
253.04955	0.8
255.07349	0.6
259.06094	13.5
260.06912	3.6
261.07745	2.3
263.09290	2.1
279.10312	0.7
282.05457	1.1
291.08752	1.6
297.04059	1.0
297.09668	4.2
298.04587	1.4
309.04044	5.3
310.04904	5.1
321.11279	1.5
323.07645	1.1
337.10678	1.7
338.16589	0.7
339.12320	1.6
347.09219	1.3
355.11905	4.5
365.10278	100.0
366.10577	7.3
382.10538	2.4
383.11334	44.8
384.11557	3.0
397.12814	2.4
415.13513	0.7
529.17145	45.5
530.17676	5.5
561.61542	0.7
577.20959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1403
Annotation	Catechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
57.03448	6.0
59.01379	7.7
61.22771	0.6
61.98832	9.8
65.00309	0.6
67.01902	0.7
69.03455	0.9
69.38147	5.3
71.01379	3.4
78.95889	1.0
81.03479	3.1
83.01392	4.8
85.02940	1.7
86.06797	0.6
89.02437	2.9
89.03591	1.0
93.03454	3.2
95.01391	1.4
95.05036	3.3
96.96013	6.5
96.96976	1.1
97.02952	7.6
99.00887	0.6
101.02430	1.4
107.01405	1.2
107.05027	1.4
108.02159	1.8
109.02950	21.6
113.02486	1.5
119.03500	0.9
119.05046	0.7
121.02958	3.4
122.03697	1.7
123.03616	1.1
123.04523	18.8
124.01617	0.8
125.02448	40.3
126.02842	0.8
131.04942	0.7
132.04247	0.7
133.02948	2.7
135.04510	2.6
137.02448	24.2
138.03156	0.7
139.03995	3.4
145.02946	1.6
146.03755	1.5
147.04466	0.8
149.02415	5.4
149.06134	0.7
150.03200	1.0
151.00375	1.8
151.04004	8.6
152.01183	1.3
157.06577	0.8
159.04491	3.4
160.05278	1.5
161.02406	2.9
161.06017	4.8
162.03200	1.8
163.00345	1.7
163.04004	2.0
164.01157	14.7
165.01907	7.5
167.03481	2.5
173.06046	1.3
173.84982	0.6
174.03255	1.0
175.03993	4.3
175.07614	1.8
176.01196	0.9
177.01929	5.0
177.05540	0.8
178.99913	0.8
179.03499	5.6
185.06023	1.8
187.03995	6.9
188.04781	4.7
189.05537	1.5
199.07594	1.0
201.05582	2.5
202.06360	2.4
203.03413	1.1
203.05186	0.9
203.07121	16.4
205.01439	3.4
205.05045	7.5
211.04219	0.8
212.04829	1.0
216.04308	0.7
217.05086	0.9
221.08124	2.2
227.06995	3.2
229.05038	1.1
229.08591	0.8
230.05815	1.0
231.02940	1.1
231.06488	1.6
235.33163	0.8
245.08173	15.4
246.08180	0.9
247.06123	2.7
249.07573	0.8
253.05125	0.9
255.03046	0.8
256.03839	0.9
271.06091	13.3
272.06628	0.7
273.07657	5.5
289.07172	100.0
290.07489	4.7
328.05963	1.4
329.06238	1.2
339.08722	1.2
365.09995	0.8
381.09814	1.7
397.09174	1.1
407.07626	8.3
408.08203	0.8
409.09384	1.8
425.08694	1.5
435.10785	5.9
436.10953	1.0
543.13141	1.1
561.13739	6.3
561.21716	0.8
562.14374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80441	0.5
53.89280	0.5
57.03448	7.3
61.98832	0.7
69.03451	0.9
71.51663	0.5
81.03446	2.3
83.01393	4.0
84.36195	0.5
89.03993	0.7
93.03466	3.9
95.01403	0.9
95.05035	3.8
97.02950	7.6
107.05023	0.8
108.02172	1.6
109.02957	22.4
111.04554	0.6
119.05019	0.7
120.02175	1.0
121.02970	3.6
122.03765	0.9
122.42850	0.5
123.00867	0.6
123.04526	19.3
124.01678	0.6
124.04903	0.6
125.02447	44.2
126.02764	0.9
132.04207	0.6
133.02943	4.0
134.03815	1.0
135.04482	3.3
137.02446	21.5
138.03148	0.8
139.03983	4.3
143.05028	1.0
145.02940	1.1
146.03699	1.2
147.04456	0.8
149.02437	6.2
149.06030	0.6
150.03123	1.2
151.04008	9.2
157.06575	1.0
158.03738	0.6
159.04486	4.2
160.05186	1.1
161.02472	4.3
161.06075	6.1
162.03212	1.8
163.00362	3.3
163.03976	3.2
164.01149	13.2
165.01932	7.0
165.05579	1.0
166.02612	0.5
166.12241	0.5
167.03468	1.6
167.07108	1.6
173.06071	1.2
174.03162	0.9
175.04022	5.0
175.07689	1.6
176.01129	1.1
177.01918	6.5
177.05548	1.5
178.02625	0.8
179.03494	5.4
179.07111	1.2
184.05278	0.5
185.06056	2.8
187.04044	4.3
187.07629	1.6
188.04770	3.4
189.05545	1.6
190.02716	0.5
199.07654	1.3
201.05568	1.2
202.06375	2.5
203.07124	13.1
205.01346	6.4
205.05054	9.2
212.04747	0.7
213.05577	0.7
217.08713	1.0
221.08167	3.0
227.03639	0.7
227.07185	3.0
228.04297	0.7
229.05055	2.3
229.08673	1.1
230.05992	0.8
231.02872	0.9
231.06445	0.8
243.02942	0.6
245.08163	16.0
246.08511	0.9
247.06093	1.8
253.05167	1.3
255.02945	2.2
255.06763	0.8
256.03757	0.9
269.08145	0.6
271.06134	12.0
271.08807	0.4
272.06363	0.8
273.07675	9.5
281.04547	0.7
283.05829	0.9
289.07169	100.0
290.07556	6.5
312.06430	0.9
313.07257	0.9
328.05838	2.4
329.06625	4.9
339.08582	1.2
341.06473	0.6
345.13300	0.6
361.14584	0.7
363.14606	1.2
381.09869	0.7
394.52649	0.5
407.07721	14.4
408.08038	1.1
409.08826	0.8
410.09918	1.0
425.08948	1.5
435.10840	12.0
435.16861	0.7
436.11481	0.8
543.13013	1.8
561.13800	6.0
562.14496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80354	1.4
54.68904	1.3
57.03440	9.4
59.01379	60.3
61.98829	64.3
65.61147	1.3
68.24104	1.6
69.03454	1.6
70.06713	1.4
71.01373	7.0
71.52517	1.4
72.99290	1.8
73.02955	1.4
75.00883	3.6
81.03461	3.7
83.01378	5.7
85.02944	2.7
87.00853	2.4
88.98788	1.8
89.02447	9.7
93.03445	3.9
95.05003	3.4
96.96016	1.8
97.02942	5.5
97.06576	1.8
101.02453	8.4
101.57183	1.9
107.01376	2.1
108.02171	1.6
109.02965	19.1
109.27813	1.5
111.00869	2.0
113.02446	4.2
119.03468	4.2
121.02905	2.7
123.00786	1.8
123.04552	12.2
124.01644	2.0
125.02444	66.3
126.02772	2.5
133.02956	1.6
135.02982	6.7
135.04518	2.3
137.02457	20.6
139.03999	3.4
143.03799	1.4
145.02966	14.9
146.03615	4.1
147.04433	1.7
149.02397	6.7
151.00336	2.8
151.04063	7.5
158.03732	2.2
158.07791	1.5
159.04469	9.6
160.05099	1.6
161.02402	2.9
161.04688	2.5
161.06061	8.5
163.03931	1.8
164.01144	1.8
165.01849	3.3
167.03490	2.3
169.01416	2.3
171.10187	3.0
175.03970	3.4
175.07677	1.7
179.03470	5.5
181.05055	5.0
183.04427	2.3
185.00914	2.0
185.06042	5.0
187.03954	6.0
188.04710	1.9
193.04839	1.6
201.05571	4.7
202.06383	2.7
203.07133	18.2
205.05006	6.9
207.10350	1.8
207.13802	2.2
209.11830	5.5
211.04008	2.1
212.50328	1.5
221.08177	4.2
225.14948	5.8
227.07100	4.3
227.12869	40.4
228.13206	2.5
229.05042	4.0
230.05824	4.1
243.06520	1.9
245.08154	21.7
253.05115	10.5
269.13846	6.8
271.06119	41.1
272.06427	2.8
287.09326	10.6
287.14966	100.0
288.15326	6.0
289.07166	78.0
290.07495	4.3
305.17502	3.8
306.97656	1.6
331.08286	3.8
334.57739	1.5
391.17371	1.7
395.07974	2.1
407.13437	1.7
409.18564	3.9
421.18674	4.8
450.49304	1.6
497.21677	3.1
515.11603	3.4
515.23212	7.0
556.55603	1.9
559.13550	3.8
559.21722	17.0
559.28839	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	559.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97475	2.8
57.03428	4.0
59.01363	9.8
61.98831	31.6
71.01373	11.1
71.51607	3.3
75.00862	3.8
75.46181	2.7
85.85534	3.3
96.96007	6.8
101.02404	5.4
108.02154	6.2
109.02957	4.4
109.06462	3.6
111.00903	3.0
121.02937	6.0
122.03744	4.2
123.04538	3.2
125.02473	15.4
135.02963	10.5
137.02487	7.4
142.99875	6.7
149.02397	4.5
150.03183	7.8
151.03908	5.4
152.01167	18.8
153.01869	3.7
162.06790	4.5
164.06390	3.2
165.01910	3.1
165.05521	14.8
167.03477	25.3
173.00958	3.1
177.01918	7.4
191.91307	3.2
195.06734	3.4
221.08244	2.9
321.79099	3.9
337.13419	2.8
346.13916	3.4
361.16541	100.0
362.16776	9.8
523.21759	7.6
559.14838	5.2
559.22748	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61064	1.1
53.83165	1.0
55.01862	1.6
57.03457	1.3
59.01382	2.4
61.98836	10.3
62.03629	1.0
62.61961	1.2
65.18773	1.0
69.03459	9.0
71.05016	2.2
76.38229	1.1
81.03453	3.0
83.01392	1.7
83.05040	5.8
84.02177	1.9
93.03503	1.1
95.05004	1.7
96.88068	1.2
98.19905	2.2
105.80386	1.1
111.04546	1.4
117.26650	1.1
123.08157	1.7
125.09715	4.8
126.92966	1.1
133.06657	1.5
149.09760	1.4
151.11270	5.2
153.12805	2.0
161.09724	8.4
163.04030	1.5
163.11279	6.3
165.12834	2.3
179.09343	2.2
179.10776	24.0
197.11821	74.8
198.12158	3.0
209.11823	55.8
210.12097	3.2
223.09769	3.1
227.12886	6.8
241.10828	10.3
254.84216	1.2
269.96606	1.3
297.13452	3.9
314.78336	1.4
315.14490	14.4
324.46661	1.3
381.17569	1.4
389.23257	1.8
507.25909	2.4
525.27039	100.0
526.27332	10.1
557.30347	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	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
60.71473	0.2
61.98828	100.0
62.98575	0.3
72.94032	0.2
78.95905	0.7
152.99564	0.5
229.50169	0.3
255.23280	1.8
256.23672	0.5
257.23938	0.3
258.24387	0.3
258.91559	0.3
287.22342	0.6
480.30865	1.2
483.32016	0.5
557.44403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83471	0.2
57.03447	0.6
58.54354	0.2
59.01379	1.2
61.98829	100.0
63.29167	0.2
68.09165	0.2
69.21535	2.2
71.01382	0.9
78.91858	0.3
83.01379	0.4
85.02934	0.4
87.00873	0.3
88.98818	0.3
89.02443	0.6
98.20656	0.7
101.02465	0.6
105.50001	0.3
107.01378	0.4
109.02977	0.4
109.69859	0.3
111.00919	0.3
113.02416	0.5
121.02895	0.3
123.04534	0.6
124.04063	0.3
125.02448	3.3
128.03535	0.5
135.02982	0.5
135.04596	0.3
137.02466	0.8
142.99869	0.3
151.00327	0.5
151.03984	0.4
152.01143	0.3
161.02458	0.5
165.01961	0.3
169.01436	0.7
177.01932	0.4
192.20862	0.3
195.10030	0.4
253.05016	0.4
264.43027	0.3
271.06262	0.4
395.11285	0.5
407.07874	0.6
408.08240	0.5
415.15936	0.4
558.23102	0.9
559.20068	1.6
583.84680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01374	4.4
61.98822	1.3
67.90045	0.4
68.17860	0.4
69.42802	1.6
69.43234	1.4
71.01384	2.8
72.99300	0.6
79.01896	0.6
80.17474	0.4
83.01374	0.5
85.02924	0.8
87.00890	0.5
89.02442	1.1
95.01373	1.8
97.02932	0.7
101.02435	1.3
107.01373	3.4
111.00880	1.6
113.02448	1.1
123.00880	9.0
124.01654	0.8
125.02440	15.5
127.00389	0.7
136.98790	1.4
139.00365	3.6
140.01151	2.8
141.01901	1.1
151.00360	8.1
157.06213	0.8
167.03394	0.4
168.00636	4.6
169.01414	22.7
170.01712	0.5
211.02467	14.4
222.46321	0.4
269.04517	0.5
271.04559	14.6
272.05002	0.9
295.02249	0.5
313.05450	0.8
359.71500	0.4
439.91910	0.4
557.22351	100.0
558.22760	11.3
560.57587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42649	1.5
57.03429	1.7
59.01376	10.4
61.98823	15.7
70.80619	2.6
70.80959	3.2
71.01389	3.2
78.95889	1.7
85.02976	3.0
87.94718	1.6
89.02462	3.1
90.44795	1.5
93.03457	4.5
95.01392	2.2
96.96001	7.3
97.48081	1.5
97.93598	1.5
109.02922	9.4
113.02408	2.1
116.92874	2.8
121.02953	27.5
122.03737	17.9
123.00855	2.2
123.04541	5.3
124.01639	3.2
125.02465	15.2
132.02205	2.7
133.02954	14.8
134.03766	10.9
135.04530	3.3
136.05194	1.5
137.02467	4.5
145.02913	8.2
146.03723	3.7
147.04518	13.7
149.02434	37.4
149.06065	12.8
150.03218	78.0
151.03952	2.5
154.02710	2.9
159.04523	1.5
161.02440	3.3
161.06099	4.7
162.03223	3.5
163.04060	2.5
164.04819	9.6
165.05566	87.6
168.00627	2.3
169.01402	9.6
175.07536	1.6
177.05476	2.1
179.07095	11.0
180.04268	2.5
183.13762	2.0
192.44897	1.4
195.06653	22.8
201.05576	1.8
211.02440	8.1
216.02084	1.4
223.09753	2.0
243.06558	1.9
271.04611	16.4
289.07291	3.6
315.12411	2.3
329.13776	5.1
331.06778	3.7
346.14136	5.2
347.14923	10.8
361.16544	56.4
362.16699	3.9
415.17508	9.6
509.21762	100.0
510.21967	12.4
521.21088	13.8
539.22571	5.3
557.12787	2.1
557.23151	8.1
557.31146	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	555.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09506	0.6
57.03434	1.1
59.01371	0.8
61.98806	0.6
71.01371	1.3
71.05019	3.9
71.24895	1.5
85.19476	0.7
95.04996	1.0
95.60811	0.6
96.04130	0.7
97.02937	2.8
97.06576	2.9
97.94880	0.6
99.00266	1.4
99.00883	17.0
109.06577	0.7
123.08166	1.7
123.78753	0.6
125.09737	10.4
127.11275	1.8
153.12810	0.8
163.11308	8.3
173.46349	0.7
181.12350	15.6
197.11926	1.2
199.13400	33.6
200.13737	1.7
207.10249	22.4
208.10535	0.8
225.11308	62.5
226.11638	2.5
243.12355	13.8
255.23288	81.1
256.23666	4.7
299.14978	6.5
306.45212	0.7
317.16016	16.5
457.68576	0.7
545.07239	0.8
555.38995	100.0
556.39203	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	557.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03437	0.6
58.00598	0.8
58.74850	0.4
59.01379	15.9
61.07040	0.4
61.98831	3.9
63.99726	0.4
69.03445	1.4
69.18242	2.5
69.18666	1.3
71.01379	12.9
72.99309	1.8
73.02943	12.1
75.00874	0.8
81.03474	0.6
83.01382	0.5
85.02944	6.2
86.00087	2.0
87.00873	8.7
87.04510	3.0
89.02452	4.0
93.03452	0.5
97.02956	0.9
99.00869	0.4
100.04195	0.4
101.02447	7.8
103.03992	2.9
113.02442	2.5
115.04007	4.9
115.17715	0.4
119.03467	0.8
125.02445	1.9
131.03500	8.5
134.03702	0.4
135.04477	0.5
137.02457	0.8
143.03508	8.9
145.05048	1.5
146.03731	1.1
147.04538	0.6
151.07579	0.5
157.06184	1.6
159.04520	3.0
161.04532	0.5
163.06145	2.4
165.05566	0.5
169.01447	0.7
172.05286	1.5
173.06044	4.3
174.06802	1.1
175.07632	0.6
179.03493	0.7
187.04063	2.2
187.07632	16.1
188.08089	0.5
190.06401	0.4
201.05556	4.1
202.06351	22.4
203.06769	1.1
203.10773	1.1
204.04271	0.5
205.07124	5.4
213.09171	1.2
215.07117	0.5
216.07854	1.4
219.10289	0.4
231.07944	0.9
231.10240	16.8
232.10449	0.5
245.15088	0.4
249.11304	0.9
411.16721	1.7
479.19489	0.5
528.18402	0.7
557.22363	100.0
558.22748	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	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.70325	0.3
59.01373	0.6
63.96243	1.1
71.01379	7.0
73.02946	1.4
78.98588	5.6
79.95735	10.3
80.96515	66.4
81.03447	1.0
85.02930	3.2
87.00871	2.4
93.59249	0.3
94.02232	0.3
94.98083	14.2
96.96015	1.4
97.02955	1.3
99.00848	0.5
99.04482	0.4
101.02444	2.6
106.98087	3.3
113.02431	0.6
122.97582	2.5
125.02424	3.1
127.04023	0.6
134.97597	4.4
136.99103	1.7
146.97649	0.6
148.99141	5.3
150.97142	0.6
152.98636	5.5
164.98619	9.9
167.00125	0.4
179.00360	0.4
194.42940	0.3
206.99660	2.2
225.00726	12.3
226.00887	0.6
229.39467	0.5
255.23270	2.5
294.34875	0.4
299.04413	3.1
301.64453	0.4
438.78522	0.4
452.98639	0.4
555.28369	100.0
556.28668	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	555.284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.98788	0.6
63.96236	0.9
69.03484	0.5
70.34688	1.1
70.35079	1.1
71.01379	5.5
73.02935	1.0
75.95560	0.5
78.98583	5.0
79.95731	8.5
80.96515	55.3
81.03442	0.6
82.00140	0.5
85.02941	2.2
87.00874	2.0
94.98093	12.8
96.96017	0.7
97.02948	0.9
101.02441	2.6
106.98071	2.6
113.02484	0.5
122.97589	3.7
125.02437	2.7
127.04024	0.7
134.97560	3.7
136.99185	1.1
148.99149	4.3
149.52821	0.5
152.98633	5.5
164.98619	9.7
167.00304	0.6
182.99709	1.9
206.99634	2.6
225.00728	12.6
243.01743	1.2
255.23334	3.1
299.04324	3.2
404.61441	0.5
544.92023	0.5
555.28394	100.0
556.28729	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.0
59.36900	0.3
59.62087	0.3
61.98806	0.3
78.95903	17.5
81.46394	0.3
85.38374	0.3
88.49221	0.4
96.96956	0.5
115.82096	0.3
118.86380	0.3
119.89290	0.3
152.99594	2.8
168.04300	2.6
224.06931	7.4
242.07964	1.5
255.23286	100.0
256.23648	6.1
259.41745	0.3
314.67075	0.4
315.20773	0.4
480.30945	54.8
481.31177	4.6
528.80176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96479	0.6
58.47180	0.7
59.01373	1.3
61.98835	6.0
62.73791	0.7
66.83154	0.7
69.14748	2.0
69.15166	6.1
72.52670	0.7
89.55598	0.6
93.03452	4.1
95.01382	2.3
95.04990	1.5
96.96013	1.2
101.02442	0.7
108.02201	1.1
121.02944	10.6
122.03736	10.5
123.04502	2.2
125.02444	2.3
130.73265	0.7
133.02950	1.8
135.04500	1.1
136.01627	1.1
137.02431	1.3
149.02435	64.3
150.03226	69.9
151.03641	2.3
160.81169	0.7
163.03983	2.5
164.04784	13.3
165.05566	69.2
166.06000	2.1
167.03426	0.8
177.05580	0.7
179.07079	2.1
180.04295	4.7
195.06612	37.9
196.07007	1.8
207.06590	1.1
226.08519	0.8
226.50328	0.9
240.04176	1.0
241.08707	1.8
253.08740	0.8
267.10272	1.7
268.10852	0.8
269.08487	4.4
269.11398	4.0
283.09726	2.2
296.10614	2.5
297.11307	9.7
298.08420	0.9
298.11841	1.6
299.09247	3.2
300.10129	3.4
311.09189	5.1
311.12866	2.2
312.09912	1.3
313.10834	1.7
314.11658	6.7
315.12396	5.7
325.10754	2.0
326.11432	3.6
327.12262	2.4
329.13928	13.1
341.13852	6.6
342.13934	0.9
373.12979	0.9
387.12387	1.4
416.62204	0.8
417.13464	0.9
429.13794	0.9
431.14859	5.2
432.15573	0.9
433.16733	4.1
461.16138	1.1
462.16708	5.0
463.17551	1.1
474.16827	0.9
477.19141	20.0
478.19498	1.5
489.19254	3.6
492.17831	2.8
507.20200	100.0
508.20575	9.7
537.20959	1.1
555.22534	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	555.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86060	0.4
57.03458	3.1
59.01378	7.0
61.98819	1.2
65.00317	1.1
66.86941	0.4
67.01873	1.9
68.99807	0.6
69.90039	1.6
71.01385	5.1
71.78793	0.5
72.99309	0.6
73.02933	0.5
80.62886	0.4
81.03454	0.9
83.01392	1.2
84.67912	0.4
85.02958	1.6
85.97520	0.4
89.02439	2.5
91.01885	4.5
95.01389	2.5
97.02955	0.9
101.02442	2.7
107.01373	4.5
107.01933	0.4
108.02174	4.2
109.02970	2.6
111.00896	2.3
111.22498	0.4
113.02439	1.7
119.03554	0.5
121.02905	0.5
123.00894	4.3
123.04523	21.4
123.08123	0.8
124.01679	1.2
124.04803	0.6
125.02455	3.7
137.02448	0.6
150.03218	1.4
151.00359	8.7
151.03995	0.5
152.01161	9.5
153.01923	2.3
153.94408	0.4
165.01923	0.5
165.05487	0.4
166.02718	8.7
167.03487	65.5
168.03856	2.2
169.01471	0.7
181.05048	6.4
193.05037	0.6
194.02220	6.2
195.02966	1.4
207.03363	0.4
209.04536	42.7
210.04863	1.4
227.13086	0.5
239.05626	4.0
251.05679	0.9
254.04355	0.6
255.05206	1.1
269.06665	10.9
289.07303	0.5
329.08578	0.4
347.43344	0.4
403.13574	0.4
483.18695	0.5
540.21649	0.5
555.24420	100.0
556.24811	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	554.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74794	0.8
58.76149	0.8
61.98830	100.0
71.01369	2.4
74.90247	0.8
78.98577	1.5
79.95741	3.3
80.96513	24.3
85.02933	0.9
94.98097	4.9
122.97625	0.9
125.02380	1.0
134.97478	1.2
148.99144	2.1
152.98625	1.9
164.98631	4.2
168.82872	1.0
172.06143	0.8
184.91357	0.9
225.00726	5.5
229.46124	1.5
233.45815	0.9
299.04218	1.4
418.64874	0.8
454.19440	1.0
514.68604	0.8
555.28448	39.4
555.37079	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2297
Annotation	TMC 2B
Peak:m/z	Relative Intensity
59.01383	4.7
60.99300	1.0
61.98830	7.0
69.03431	0.8
70.70377	1.3
70.70758	1.2
71.01384	3.9
73.02941	8.1
74.60205	0.6
81.03442	2.5
83.01370	1.4
85.02922	2.8
88.98810	4.1
89.02403	0.7
93.03448	1.0
95.01372	3.1
99.00846	0.8
101.02420	1.4
108.02171	76.8
108.25524	0.7
109.02962	42.9
110.03268	0.7
113.02399	1.9
121.02943	1.3
123.00904	4.1
123.04488	2.0
123.51384	0.6
124.01654	1.7
125.02478	4.9
133.02887	1.0
135.00827	1.2
135.04466	1.2
137.02429	2.0
139.03979	1.6
151.00310	1.1
151.04024	1.1
152.01149	62.5
153.01941	20.7
154.66481	0.7
155.63513	0.6
159.04398	0.8
161.02351	0.9
163.04012	1.4
165.01875	1.8
167.03461	1.1
169.01370	2.3
255.15993	4.3
289.07178	2.1
315.07828	0.7
387.16513	0.8
401.12396	0.9
473.07648	0.7
534.02960	0.7
535.20837	0.7
553.22845	100.0
554.23157	11.3
572.98578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09199	37.2
61.98815	79.7
62.84748	35.5
70.64044	100.0
73.04089	45.4
78.53666	38.9
81.65438	37.6
88.07093	39.2
110.11435	39.8
133.90953	40.6
487.46078	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01379	1.3
59.70928	0.4
61.98824	1.6
67.01890	0.7
69.03454	11.7
70.15839	1.7
71.01385	1.7
71.05021	3.2
80.02716	0.4
83.05026	0.6
95.05022	0.7
97.02955	1.0
97.06587	1.4
98.19920	0.4
99.00876	0.5
103.35306	0.3
105.56634	0.4
108.02165	0.6
123.08166	3.4
125.09724	4.9
135.08118	0.4
136.79980	0.4
137.09750	0.9
141.30556	0.4
149.09683	1.3
151.11287	7.5
153.12863	2.1
161.09709	13.9
179.10774	42.7
180.11111	1.6
197.11830	95.3
198.12154	3.1
223.09756	5.7
237.22142	0.9
241.10808	18.1
242.11166	0.7
255.23293	100.0
256.23636	4.6
297.13452	10.5
315.14456	19.8
316.14633	0.7
379.59634	0.4
416.90726	0.4
417.34274	0.4
435.07010	0.5
553.37439	78.5
554.37738	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	553.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39897	1.6
57.03465	1.7
59.01379	11.0
60.99307	18.9
61.98825	21.6
71.01379	7.0
71.38900	2.1
71.51550	2.1
72.87182	1.8
83.01387	1.7
85.02931	3.7
88.98804	100.0
89.02455	1.9
93.03479	2.6
97.02979	1.6
101.02451	4.3
106.08411	1.4
107.01382	2.6
108.02185	5.9
109.02972	3.9
110.78331	1.7
111.56369	1.5
113.02426	4.2
121.03011	1.9
123.00871	5.0
123.04538	2.4
125.02440	11.1
128.11351	1.7
137.02432	6.7
143.14264	1.6
151.00348	5.6
151.04018	2.1
153.01907	2.9
161.02405	2.2
161.04558	1.9
169.01440	9.2
170.01797	1.9
183.13857	10.6
227.12900	2.0
241.04938	1.9
313.93741	2.1
389.25360	1.9
390.25775	3.4
391.25912	4.8
463.21844	13.3
509.22815	2.1
517.13763	8.1
552.25006	3.2
553.25714	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90132	0.7
57.03418	1.7
59.01376	8.1
61.98830	23.8
71.01377	4.6
71.52386	1.0
71.52822	1.4
72.99300	0.9
73.02923	5.5
81.03447	1.1
83.01371	1.1
85.02934	3.4
88.98790	1.8
89.02431	1.4
93.03441	2.6
95.01363	3.5
96.96014	1.2
97.02954	1.6
101.02458	4.1
102.05615	1.2
108.02173	74.1
109.02962	32.3
110.03266	0.9
113.02420	2.7
114.46485	0.9
115.03947	0.9
119.05019	1.3
119.67249	0.9
121.02941	1.3
123.00854	3.8
123.04517	2.4
124.01602	0.9
125.02457	7.1
128.03578	1.0
133.02928	0.9
135.04456	2.1
137.02480	4.1
145.02936	1.7
146.04500	1.9
147.56262	0.9
151.00322	3.5
151.03955	2.9
152.01146	58.4
153.00734	0.9
153.01952	17.0
153.27121	0.9
161.02484	1.0
163.03931	1.6
165.01866	2.4
167.03445	1.6
169.01360	2.5
179.03473	1.7
195.05994	0.9
221.08061	1.3
255.16011	2.7
263.99747	0.8
289.07156	1.5
318.80432	0.8
322.19238	1.0
331.15506	3.7
344.00620	0.8
353.64432	0.9
367.49631	0.9
401.12595	1.5
553.22797	100.0
554.22974	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	553.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31696	0.5
59.01371	1.2
63.83626	0.5
65.03970	1.2
71.01390	0.6
74.17434	0.5
89.02470	0.6
93.03455	64.4
94.03780	1.2
98.19856	1.2
109.02937	0.5
118.76337	0.4
122.03808	0.5
123.04519	0.6
125.02402	1.1
128.98418	0.5
135.04524	0.9
137.02440	100.0
138.02716	2.8
139.03987	0.5
143.80382	0.5
150.03163	0.5
151.03917	0.5
165.05563	0.7
177.05556	0.7
177.10245	0.7
180.04375	0.6
180.07884	1.0
181.05142	1.0
190.85683	0.5
194.05864	0.8
195.06647	1.8
223.09918	0.6
331.11926	0.7
361.12796	1.2
367.68234	0.5
376.15152	1.9
391.12640	0.9
391.17633	17.8
392.18076	1.1
548.86737	0.6
553.32294	3.2
571.93292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.1
59.01367	2.0
60.41987	1.0
61.98814	3.5
69.03446	1.2
69.50674	2.1
69.51085	6.0
81.03460	3.6
83.01361	5.5
87.00866	1.6
91.01884	1.2
92.82088	1.2
93.03451	4.4
95.01363	1.3
95.05019	1.9
97.02938	5.2
107.01411	1.1
107.96729	1.2
108.02157	1.5
109.02238	1.5
109.02958	23.1
111.00856	3.8
111.03664	1.0
111.04464	1.7
117.03438	1.2
121.02958	85.0
123.00913	1.4
123.04519	13.1
123.08160	3.9
124.01639	2.8
125.02447	48.2
126.02812	2.1
131.05054	1.8
134.03735	3.0
135.00885	5.3
135.04550	2.6
136.01233	2.2
137.02444	32.9
138.03195	2.2
139.03998	4.5
143.04938	1.6
145.02954	10.2
146.03772	8.3
147.04463	3.1
149.02441	7.8
149.06044	2.9
150.03195	3.0
151.00346	5.0
151.04001	7.7
152.01147	42.7
152.02377	2.1
153.01909	9.1
154.02257	2.4
155.02388	1.7
158.16985	1.0
159.04544	12.2
160.05171	1.4
161.02391	2.7
161.06093	8.6
162.03233	3.9
163.04008	1.9
164.01140	4.2
164.04778	4.0
165.01915	8.6
166.02681	3.8
167.03493	54.7
168.03804	1.5
169.01367	1.4
171.11784	2.9
174.03169	3.3
175.03967	6.6
175.07634	1.5
176.04774	5.0
177.05524	4.8
179.03537	5.8
179.07164	8.9
183.04529	1.6
185.06046	3.1
187.03986	14.3
188.04672	3.1
189.05458	2.8
189.12802	1.5
191.07111	1.8
199.07593	1.6
201.05562	3.4
202.06247	1.7
203.03592	1.4
203.07140	15.2
205.05051	8.5
211.03957	1.9
217.08801	1.2
219.02972	2.7
220.03790	9.2
221.04538	2.9
221.08205	1.8
227.07169	4.7
230.02255	1.4
233.02412	1.2
233.04474	7.0
235.06070	3.9
236.03180	11.2
237.04016	4.3
237.14896	7.2
241.05106	2.0
245.08182	22.7
251.03238	2.1
251.05589	23.3
252.06201	5.2
253.04924	8.0
253.07306	5.4
271.06100	20.2
281.13931	16.5
289.07184	100.0
290.07697	5.2
296.52454	1.1
298.39874	1.2
345.09811	2.1
373.09137	1.4
374.10220	1.2
387.18069	2.7
397.94144	1.2
401.12427	1.2
403.17514	4.8
413.12354	4.2
423.43796	1.2
431.13379	4.2
439.22656	1.1
491.20578	2.4
509.21866	5.9
553.20355	4.4
553.26440	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	552.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98829	100.0
70.80873	0.6
70.81187	0.6
71.01408	0.8
73.52748	0.3
78.95905	0.7
83.84966	0.4
85.02976	0.6
89.02461	0.7
91.01902	0.8
92.02241	0.5
93.03432	0.6
95.01380	0.5
101.02460	0.4
108.02193	1.2
109.02992	1.1
119.05031	0.4
123.00912	1.2
123.04533	0.4
125.02458	1.9
135.00879	0.9
137.02470	1.6
139.03941	0.4
145.03117	0.4
146.03711	0.6
151.00375	1.7
152.01164	1.5
153.01610	0.8
153.05524	0.4
161.02412	0.4
169.01439	1.2
179.03549	0.9
179.07201	0.4
227.86769	0.3
239.03624	0.4
243.06598	6.1
244.06931	6.3
347.05853	0.4
373.12854	0.6
391.04489	2.2
517.16345	0.4
552.25543	4.9
552.33325	0.7
553.07690	4.4
553.26453	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	552.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51957	0.4
57.03453	0.6
59.01378	3.4
61.98829	100.0
69.03466	0.6
71.01398	2.1
71.51498	0.5
72.99303	0.5
73.02962	1.0
78.95883	0.8
80.73379	0.5
83.01371	0.6
85.02958	0.9
87.00944	0.5
89.02462	1.0
93.03491	0.5
95.01391	0.6
101.02459	1.1
107.01403	1.2
108.02191	1.3
111.00888	0.8
113.02459	0.9
121.03004	0.5
122.21107	0.4
123.00894	3.6
123.04532	1.0
124.01686	1.6
125.02477	4.5
126.02760	1.0
127.04096	0.5
128.03522	1.0
128.20718	0.4
128.90169	0.6
137.02451	1.5
139.00398	0.7
139.04021	1.4
140.01181	0.6
140.04388	0.6
149.02472	0.6
151.00381	1.9
151.03984	0.8
152.01180	1.2
152.99580	0.4
153.01918	0.5
153.05530	0.8
165.01955	0.6
165.05586	0.8
166.66582	0.5
168.00626	1.5
169.01395	4.1
170.01756	1.5
179.03537	0.7
183.12827	0.4
202.08287	0.5
209.11882	0.7
211.02435	1.4
212.02789	0.7
244.06921	0.5
269.00372	0.5
271.04480	0.9
272.04898	0.4
309.76950	0.5
313.19861	0.5
370.91940	0.5
444.12219	0.7
445.09802	0.5
551.24884	0.9
552.25391	29.1
553.25439	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	552.266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.34795	0.2
69.35188	1.2
125.02442	0.2
135.00174	0.1
142.72600	0.1
153.29082	0.2
244.52966	0.2
253.45572	0.2
300.59625	0.2
522.57245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03443	0.4
59.01381	3.1
61.98827	5.6
69.03454	0.7
69.18842	3.9
71.01366	2.5
71.33636	0.4
72.99293	0.9
73.02956	1.3
81.03449	1.6
83.01387	0.7
85.02951	1.6
87.00842	0.4
89.02465	1.1
93.03463	1.2
95.01385	3.7
95.05054	0.8
97.02950	1.5
99.00888	0.4
99.93462	0.4
101.02438	1.2
105.03465	0.6
107.01402	2.2
108.02173	3.7
109.02958	5.0
109.48814	0.4
111.00889	0.4
113.02441	1.2
119.05052	0.4
119.61125	0.4
121.02982	1.7
121.50634	0.4
122.03732	0.6
123.00892	7.3
123.04521	21.5
124.01660	14.3
125.02448	26.3
126.02836	0.5
133.02940	0.4
135.04518	0.9
136.01648	0.6
137.02477	3.3
137.03473	0.6
138.03210	0.5
139.04025	0.8
146.04585	0.4
148.01614	0.4
149.02425	1.7
149.99579	39.3
150.03185	3.0
151.00365	3.5
151.03979	1.6
152.01161	4.2
153.01974	2.9
153.05573	31.3
154.05923	0.7
161.02419	1.1
163.00391	0.4
163.03954	1.4
163.11273	0.5
165.01909	1.7
165.05554	2.5
166.99869	0.6
167.03502	1.1
168.00635	62.1
169.01247	3.0
175.04033	0.5
177.01912	0.9
178.02658	0.9
179.03430	1.0
191.03517	0.5
193.01363	1.2
193.05077	1.7
195.06628	2.1
203.03688	0.4
203.07202	0.6
209.11797	1.0
227.07155	0.9
255.16086	0.9
269.06619	0.6
287.01871	0.4
289.07294	1.1
313.05695	1.3
331.06863	0.7
331.19250	0.5
343.94836	0.4
401.11111	1.0
445.09833	100.0
446.10178	8.1
456.27914	0.4
501.68143	0.4
535.29297	0.4
552.25586	0.6
553.14294	1.0
553.22278	8.8
554.23096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74355	0.3
52.85501	0.3
55.01867	0.4
55.54670	0.3
59.01379	5.0
61.98814	0.9
65.00300	0.4
67.01877	1.1
69.16011	1.0
69.16434	2.0
71.01377	4.1
72.99303	0.5
73.02947	0.3
79.01880	0.7
81.88715	0.3
83.01369	0.7
85.02937	1.2
89.02437	2.0
91.01894	0.8
95.01376	1.3
96.63235	0.3
97.02966	0.5
99.00863	0.8
101.02433	1.7
107.01390	3.2
109.02950	13.1
111.00884	2.0
113.02464	1.4
117.79707	0.3
119.03484	0.5
123.00880	11.1
124.01626	0.9
125.02445	14.1
127.00266	0.3
135.04520	0.5
136.98785	1.0
137.02383	0.4
139.00362	4.1
139.03938	0.6
140.01176	2.6
141.01898	1.1
149.02438	0.4
151.00362	7.9
153.01933	21.2
154.02267	0.6
154.05075	2.6
161.02414	1.0
165.01852	0.4
166.75717	0.3
167.03419	0.3
168.00632	3.7
169.01419	20.7
170.01764	0.4
175.40039	0.3
179.03563	0.3
181.05119	0.5
211.02466	4.8
223.02548	0.4
253.03529	0.6
257.08124	0.9
271.04593	3.4
313.05704	1.7
399.12946	0.4
551.17712	7.0
551.24939	100.0
552.18109	0.7
552.25299	11.4
553.71619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.3
57.03428	3.6
58.00575	1.4
59.01375	41.3
61.98826	10.2
65.00298	2.6
65.87992	0.8
68.65512	0.7
69.03430	3.1
69.03764	0.7
71.01382	36.2
72.99287	3.1
73.02943	14.6
75.00827	0.8
81.03431	1.7
83.01395	6.9
83.05019	0.9
85.02462	1.1
85.02950	17.4
87.00871	2.1
87.04489	1.2
89.01921	1.2
89.02442	12.2
91.01897	9.2
95.01377	4.3
97.02940	3.8
97.40240	0.8
99.00864	4.5
99.04491	1.2
101.02438	33.1
103.03402	0.9
103.04006	11.4
108.02122	2.9
109.02913	2.1
111.00816	1.2
113.01862	0.9
113.02447	9.0
115.03975	0.9
117.03394	3.2
119.03487	6.7
119.04958	2.3
121.02953	1.1
123.00826	3.5
123.04519	32.5
124.01678	1.1
124.04861	1.1
125.02442	18.8
127.03969	2.3
131.03487	1.3
135.04523	1.5
137.02365	3.2
139.00334	1.8
139.18932	0.9
140.01132	1.2
143.03429	3.1
145.02945	11.6
145.05014	2.6
151.00310	1.1
152.01131	4.7
153.01935	1.4
159.02921	2.0
161.02321	0.9
161.04460	7.1
161.05998	2.3
163.03903	2.3
163.06119	22.3
167.03488	100.0
168.03827	3.9
169.01443	4.4
175.03947	1.0
177.01907	1.2
183.13832	0.9
205.05051	1.8
205.07060	3.6
205.08885	0.8
210.43190	0.8
219.08694	8.0
229.07146	1.3
247.08069	3.3
265.09280	1.1
271.04111	0.9
293.37720	0.9
307.10318	9.3
327.25076	0.9
345.19180	5.6
365.14426	11.8
366.14542	1.4
371.24130	1.5
374.70804	0.9
389.25244	1.7
491.24976	20.3
492.24771	2.5
551.18097	1.7
551.24579	28.0
552.24738	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
57.88105	0.2
58.00609	0.2
59.01374	6.0
60.81193	0.2
61.98830	1.4
65.00334	0.8
67.01888	0.6
69.03446	0.4
69.54358	1.7
71.01380	4.1
72.99311	0.6
73.02948	0.8
78.41724	0.3
79.01900	1.1
81.03506	0.3
83.01388	0.5
83.84637	0.2
85.02961	1.7
87.00885	0.5
89.02437	3.2
91.01887	1.1
93.03452	0.3
95.01385	1.3
95.23160	0.2
95.43400	0.3
96.96002	0.2
97.02953	0.4
99.00893	2.1
101.02451	2.1
107.01398	3.4
108.02157	0.5
109.02950	23.0
110.03306	0.6
111.00875	1.9
113.02438	1.9
119.03477	0.6
121.02962	0.4
123.00883	10.7
124.01637	1.0
125.02444	15.1
126.02784	0.4
127.00375	0.7
135.00984	0.2
135.04463	0.4
136.98820	1.2
137.02448	1.1
139.00369	4.3
140.01151	3.1
141.01898	0.7
151.00354	8.3
151.04027	0.3
152.00998	0.2
153.01929	46.2
154.02286	1.5
154.05092	1.7
161.02480	0.9
163.04001	0.3
163.06183	0.4
165.01913	0.5
167.03487	0.5
168.00639	3.3
169.01411	18.1
170.01740	0.5
179.03432	0.6
181.05060	0.6
191.05614	0.4
209.04582	0.3
211.02452	4.8
212.02916	0.3
239.32115	0.3
241.05159	0.4
243.35139	0.2
257.08154	1.6
271.04553	3.1
313.05630	1.4
371.50659	0.3
397.62866	0.2
474.25168	0.3
478.00531	0.3
551.17474	14.2
551.24939	100.0
552.17865	1.5
552.25287	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	551.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31755	0.5
55.01854	1.1
57.03445	0.8
59.01378	7.2
61.98838	3.9
65.00339	1.5
67.01874	0.9
68.99814	0.8
69.03456	0.6
71.01378	7.9
71.52675	0.9
72.99310	0.7
73.02946	2.0
81.03457	2.0
82.00656	0.6
83.01402	3.6
85.02962	3.3
85.03457	0.4
86.00106	0.6
87.00888	1.1
89.02424	2.5
91.01902	1.2
92.13399	0.6
93.03477	3.1
95.01379	4.4
96.99314	0.8
97.02947	0.9
99.00912	1.5
101.02455	3.7
107.01368	1.5
108.02151	3.7
109.02953	26.8
110.00104	0.6
110.03242	0.7
111.00864	3.4
112.98713	1.1
113.02449	2.8
119.03532	0.8
119.05046	0.7
120.99339	0.9
121.02958	14.0
122.00099	1.3
123.00892	9.1
123.04572	1.0
124.01651	2.7
125.02465	5.5
125.99536	0.7
127.00385	3.6
135.00900	0.9
135.04440	0.8
136.98833	2.8
137.02437	16.0
137.99605	1.2
138.03271	1.5
139.00362	6.4
139.04019	3.8
140.01151	2.7
141.01892	0.6
145.02896	0.8
149.02472	0.5
151.00345	1.7
151.03951	0.7
152.01198	2.7
153.01938	40.7
153.05562	15.0
154.02524	0.8
154.99886	0.6
155.03494	2.4
161.04573	0.9
166.99883	2.7
168.00624	5.8
168.04195	1.3
169.01448	4.2
177.01852	0.6
179.03473	0.8
181.01419	7.4
181.05025	0.7
182.02219	6.4
183.02974	5.4
195.02942	0.7
197.04549	41.5
198.04845	1.5
209.15410	1.0
225.04024	2.3
229.40939	0.6
239.05618	0.7
256.07373	0.8
257.08182	12.7
258.08401	0.9
281.06650	0.7
289.07089	0.7
297.06100	2.3
313.05676	1.2
326.06293	0.6
399.12970	1.5
419.13550	1.3
431.12088	1.0
447.11459	3.6
482.10684	7.4
513.19617	0.8
521.20184	2.5
536.22668	1.1
551.17932	7.0
551.25000	100.0
552.17706	0.9
552.25317	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	551.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98855	0.4
55.24679	0.4
56.70162	0.4
57.03442	0.7
59.01376	6.5
59.44457	0.4
61.98835	2.7
64.47194	0.4
67.01875	0.9
69.03452	0.7
69.22311	1.2
69.22726	2.9
71.01382	4.2
72.99284	0.7
73.02944	1.4
74.72517	0.3
79.01875	0.8
83.01373	1.4
83.07729	0.4
85.02955	2.4
87.00857	0.5
88.40753	0.4
89.02460	2.1
95.01379	1.1
96.95988	0.4
97.02934	0.9
98.20669	0.7
99.00893	0.7
101.02440	3.6
101.69933	0.4
103.04033	0.7
106.02682	0.4
107.01382	3.7
108.02163	0.5
109.02912	0.6
111.00872	1.8
113.02434	1.6
115.89493	0.4
119.03452	0.9
123.00880	10.2
124.01643	0.7
125.01514	0.8
125.02444	16.0
127.03975	0.7
128.14627	0.4
135.04520	0.4
136.98799	1.5
137.02426	1.8
139.00372	4.5
140.01160	3.1
141.01904	1.5
151.00365	8.9
151.04016	0.9
153.01877	0.8
161.02458	0.5
161.04492	1.0
163.03975	0.7
163.06108	1.6
167.03482	0.9
168.00630	3.9
169.01430	19.5
179.03471	0.6
199.02509	0.7
211.02490	5.0
211.04411	0.7
241.08701	0.7
253.21669	0.9
270.18143	0.4
271.04495	4.1
313.05658	1.6
327.25369	1.6
343.24866	1.9
353.23221	0.7
371.24402	3.1
381.39194	0.4
389.25439	17.3
390.25970	1.0
413.48999	0.4
429.66467	0.4
431.26370	0.8
491.19153	0.8
551.24884	100.0
552.25256	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	551.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53060	0.4
57.03448	3.3
59.01385	5.9
61.98829	3.3
67.01881	0.9
68.99837	0.7
69.03455	0.7
70.70589	0.6
70.70927	0.7
71.01382	4.4
72.01813	0.3
72.32565	0.4
72.99309	0.5
73.02959	0.7
79.01893	0.6
79.03032	0.5
81.03461	1.4
83.01378	2.7
83.05058	0.4
85.02953	2.2
87.00896	1.5
89.02451	2.2
93.03450	3.6
95.01402	1.8
95.05038	1.4
97.02975	2.0
98.94650	0.4
101.02440	2.9
107.01396	2.9
107.05024	1.0
108.02187	1.1
109.02959	6.5
109.06590	0.8
111.00873	2.7
111.04478	0.8
113.02463	1.4
119.03594	0.4
121.02962	1.2
122.03732	1.0
123.00885	12.1
123.04536	3.2
124.01671	6.2
124.05315	0.6
125.02450	27.0
126.02767	0.8
127.00384	0.7
127.04025	0.6
131.05009	0.4
135.04518	0.8
136.01628	0.8
136.98817	1.5
137.02437	11.8
137.06137	0.6
139.00398	4.5
139.04015	4.2
139.07657	4.3
140.01178	2.4
141.01927	1.3
145.02963	2.7
146.03723	1.3
149.02440	1.6
151.00375	8.5
151.03923	1.9
152.01184	3.3
153.01913	1.2
159.04500	2.5
161.02432	1.1
161.04668	0.6
161.06084	2.1
161.09702	1.8
161.13409	0.9
162.03308	0.5
163.04042	0.5
163.11362	0.7
164.01137	1.1
165.01935	2.1
165.05757	0.4
165.12886	0.6
167.03508	5.4
167.23203	0.4
168.00620	3.6
168.07935	1.6
169.01424	19.4
171.08112	0.4
173.05923	0.5
175.04024	1.0
176.04922	0.6
179.03502	2.0
181.05066	0.6
183.04416	0.5
183.13925	1.8
185.06065	1.4
187.03987	2.0
187.11311	3.1
188.04796	1.5
189.09253	1.1
199.07613	0.6
201.05598	0.6
202.06270	0.6
203.03502	1.8
203.07121	4.9
205.05109	1.2
205.12373	2.0
207.10381	0.5
211.02437	4.8
211.04109	0.5
217.12154	0.4
221.08261	0.6
225.05576	0.4
227.07184	1.0
227.12805	0.6
243.06491	0.4
245.08156	4.5
249.11354	1.4
253.05106	2.3
267.12537	0.5
271.06558	5.3
279.12411	3.3
281.06812	1.3
289.07169	26.3
290.07468	1.3
309.07739	0.7
313.05682	1.5
353.06552	0.6
371.07782	1.2
401.15976	1.3
477.19550	0.5
489.19217	0.5
491.45346	0.4
507.20438	1.9
551.25061	100.0
552.25385	9.1
570.59729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16971	1.2
59.01378	7.1
61.98814	2.8
63.64181	1.4
71.01389	6.7
71.51975	1.5
73.02941	2.3
74.02505	1.6
82.86930	1.4
85.02956	2.9
89.02470	2.3
96.96030	3.4
98.95574	1.8
101.02438	3.0
106.02357	1.4
109.02949	1.4
113.02464	1.5
121.02956	3.2
125.02538	1.6
128.03455	2.1
137.02412	2.2
143.04610	1.8
143.49232	1.2
147.04507	1.9
151.00354	1.3
152.01096	1.9
163.03993	5.6
167.03561	1.4
172.05249	1.4
174.03268	1.9
175.03987	14.9
176.04674	2.3
179.07034	1.2
180.04291	8.8
181.05029	1.2
188.04750	2.9
189.05602	5.9
190.06337	20.4
191.03714	1.2
191.07147	11.7
192.07318	1.2
193.05048	6.2
194.05850	6.5
203.07170	2.2
205.08691	16.6
207.06622	6.5
208.07423	12.6
222.08931	2.2
223.09763	1.8
241.05045	14.7
242.05739	1.9
243.06726	1.4
255.00835	1.4
257.08185	29.1
258.08585	1.7
261.89429	1.3
306.07666	3.0
307.07849	2.0
344.12695	3.5
359.14984	100.0
360.15353	10.1
371.15131	1.5
371.24213	1.5
389.15851	2.5
465.14444	2.3
551.17725	12.2
551.30609	19.2
552.17468	1.9
552.31226	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09448	0.7
55.01876	1.3
55.84232	0.7
57.03436	3.7
58.00611	1.3
59.01379	23.4
61.98829	9.9
63.51521	1.0
65.03967	1.6
66.50043	0.7
69.03446	1.4
71.01379	42.9
71.52448	0.8
72.99301	1.7
73.02938	12.9
75.00872	1.1
81.03455	0.8
83.01373	4.1
85.02943	11.8
87.00860	4.9
88.98804	1.2
89.02444	14.6
91.01892	4.8
93.03455	99.8
94.03807	2.9
95.01398	3.2
97.02970	2.3
99.00871	12.1
101.02442	23.7
103.03981	0.8
107.01364	1.0
107.05038	2.6
108.02178	0.8
109.02944	16.2
111.00830	1.1
111.08175	2.3
113.02446	15.1
115.04012	1.3
119.03495	2.4
119.05022	3.8
121.02911	1.1
123.00885	1.7
123.04530	1.9
125.02442	6.3
131.03455	1.0
133.02925	0.7
135.00871	6.3
137.02441	81.1
137.06039	6.3
138.02769	1.6
140.01050	1.1
141.01909	0.9
143.03506	2.9
151.00385	2.7
151.03998	1.2
153.01917	8.5
153.05602	1.1
159.03020	2.4
161.02524	1.0
161.04555	20.2
163.04005	0.9
163.06085	2.4
165.05458	1.2
165.12830	18.9
167.14365	0.8
169.01410	3.9
179.05579	1.0
183.13882	46.7
184.14230	2.2
191.05463	1.4
195.13972	1.2
197.15459	6.9
203.19922	0.8
207.13890	3.4
209.11844	4.4
211.02422	1.7
225.14993	3.8
227.12871	50.3
228.13245	2.4
251.12846	2.7
255.08783	3.7
269.13849	5.5
271.04645	1.1
281.68784	0.8
299.14917	4.4
309.24396	1.2
327.25345	5.8
329.15994	17.8
330.16415	0.9
341.10806	1.9
343.24777	4.6
353.23062	1.3
359.17502	0.8
371.24310	8.8
387.12872	12.4
389.13037	1.6
389.18140	32.4
389.25485	12.3
390.18509	2.1
404.46814	0.7
429.10327	13.0
431.11893	100.0
432.12292	7.1
447.11331	2.2
529.08673	0.9
551.24133	38.3
551.30994	20.2
552.24396	3.7
552.31744	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	551.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03432	1.6
59.01377	13.5
61.98829	17.0
69.51878	0.8
69.52225	6.3
69.70284	0.8
71.01370	11.8
72.99290	1.8
73.02936	2.5
75.00861	2.7
83.01382	2.3
83.05018	1.1
85.02950	5.1
87.00891	1.3
88.98840	1.6
89.02431	5.5
93.03462	8.1
94.03841	0.9
95.01383	1.4
96.95985	1.8
99.00876	1.3
99.63902	0.8
101.02435	6.0
101.52621	0.8
109.02937	1.2
111.00822	1.1
113.02434	3.8
115.07632	1.0
119.03510	1.6
119.05015	2.2
121.02973	4.4
122.03775	1.0
123.04429	1.2
125.02422	3.6
127.16795	1.1
137.01460	1.5
137.02444	22.4
138.03020	0.8
139.00414	1.1
139.04010	1.6
145.02934	1.8
147.04533	2.5
149.02417	1.5
150.03188	1.1
151.04019	1.0
153.01894	0.9
161.04514	1.6
161.05914	1.0
162.03227	1.1
163.04018	5.8
163.64256	0.8
165.01952	1.9
165.05540	0.9
169.01483	1.5
173.06035	1.3
174.03137	2.0
175.03976	15.8
176.04694	3.3
177.05508	2.2
179.03477	1.7
180.04253	10.7
188.04808	2.4
189.05537	7.3
190.06345	21.8
191.07123	13.7
192.04451	1.1
193.05072	9.5
194.05788	4.9
203.07101	3.0
205.08708	17.3
207.06693	6.3
208.07379	12.0
209.04530	1.1
222.09042	1.2
223.09709	1.6
241.05025	1.2
278.08447	1.6
341.10229	2.6
343.11435	1.2
344.12585	3.3
359.15005	100.0
360.15338	9.3
371.15067	1.7
374.13559	4.0
389.16098	17.4
389.25256	3.3
390.16238	1.2
551.13409	2.2
551.21277	25.6
551.30627	38.8
552.21417	2.7
552.30780	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	551.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.1
59.01379	20.5
61.98824	1.4
66.80579	0.7
69.03458	11.5
69.21033	8.0
71.01377	14.2
72.99290	1.5
73.02936	4.9
75.00858	1.2
79.01881	7.3
81.03454	4.2
83.01370	2.6
85.02950	9.9
89.02447	9.4
93.03461	6.4
95.01393	9.3
97.02946	8.0
101.02449	11.8
101.12754	0.8
103.04007	10.1
107.01404	13.4
107.47157	0.9
108.02172	42.3
109.02953	66.0
111.00902	1.1
113.02467	1.8
114.86118	0.9
119.03499	4.9
121.02950	20.9
123.00883	7.7
124.01662	2.0
125.02448	16.0
125.09702	1.5
128.08650	0.9
131.03369	1.0
135.00871	13.7
135.52701	0.8
137.02446	47.0
138.01939	3.5
140.40688	0.7
143.03403	1.8
145.05063	1.5
148.51230	0.9
149.02437	3.6
151.00320	2.5
152.01161	9.2
153.01933	81.8
154.02252	1.9
163.06123	7.3
167.03470	2.6
169.06628	5.4
177.01877	1.6
179.03484	1.0
189.34343	0.9
195.02989	2.5
197.06071	40.1
198.06479	1.1
201.11319	20.6
202.11847	0.9
205.07248	1.5
213.05569	8.7
215.07111	4.1
215.09041	1.1
241.04926	1.9
243.06598	100.0
244.07034	5.3
247.08145	4.0
257.08179	1.3
297.06088	2.7
298.54486	0.9
307.10199	3.4
364.26770	0.9
371.24530	1.0
404.52267	0.9
443.11929	44.0
444.12463	4.3
444.17548	1.1
454.16754	1.0
551.17316	2.6
551.31042	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	551.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46275	0.8
58.97541	0.7
59.01374	5.8
60.99304	15.6
61.98831	23.7
68.46076	0.7
69.03449	1.1
69.03815	0.9
71.01372	4.2
73.02945	1.2
78.95909	1.3
81.03445	1.3
83.01375	1.4
84.91742	0.8
85.02942	2.0
87.00865	1.8
88.98804	100.0
89.02441	6.0
89.99046	0.8
93.03471	4.7
95.01420	1.1
99.00895	1.6
101.02425	2.7
107.01379	2.2
108.02177	2.2
109.02942	2.3
113.02429	2.2
119.05072	0.9
121.02955	1.4
123.00882	5.1
124.01666	8.7
125.02491	5.7
125.76195	0.8
129.53421	0.8
134.03728	1.0
137.02440	12.8
139.00418	1.2
139.04034	5.5
140.01199	1.1
141.09235	0.8
149.02408	1.2
149.04497	1.4
151.00366	3.4
152.01167	1.5
153.01950	1.7
161.04527	1.8
161.09741	2.1
161.13362	1.0
163.03967	1.4
167.03526	1.3
168.00630	1.7
169.01431	4.4
172.88504	0.8
177.01846	0.9
183.95114	0.8
187.11282	1.9
189.09183	1.8
211.02386	1.5
242.05827	5.8
243.06651	1.0
249.11374	2.4
257.08176	7.5
271.04434	1.7
276.56766	0.9
353.23239	3.4
359.48282	0.9
440.11331	0.9
551.25598	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77589	0.3
57.03459	0.3
57.91740	0.2
59.01376	4.7
59.92120	0.3
61.98827	2.3
63.21397	0.3
65.00311	0.8
71.01382	3.7
71.51875	0.2
71.52245	0.4
72.99278	0.5
73.02928	1.4
79.01865	0.3
81.03471	0.3
83.01387	0.7
85.02951	1.4
89.02454	3.3
91.01891	2.8
93.03461	1.3
95.01392	1.1
97.02950	0.2
99.00879	4.7
101.02444	1.8
107.01398	0.9
108.02211	0.7
109.02951	53.4
110.03294	1.4
111.00874	0.8
113.02455	2.1
116.92853	0.7
117.03493	0.4
119.03529	0.6
121.02997	0.3
123.00887	4.2
124.01682	0.3
125.02453	5.0
131.03540	0.4
135.00864	1.1
135.04529	0.4
136.98776	0.4
137.02425	2.5
139.00385	1.8
140.01154	1.1
141.01962	0.4
145.02965	0.9
149.04573	0.4
151.00351	2.7
151.04030	0.3
152.01143	0.6
153.01935	100.0
154.02278	2.7
154.05107	0.3
161.02539	0.4
161.04523	0.5
163.03986	0.4
163.06136	0.5
165.01945	0.3
167.03436	0.3
168.00635	1.4
169.01439	6.4
173.05984	0.3
179.58893	0.3
191.05626	0.6
211.02493	1.2
241.05106	0.5
243.06683	0.7
257.08246	1.3
271.04654	1.0
274.37424	0.3
313.05862	0.5
431.11826	0.7
551.17621	34.6
551.25214	29.1
552.17932	2.9
552.25580	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00721	0.7
55.01858	1.5
57.03439	1.5
58.00610	0.8
59.01106	1.5
59.01381	19.4
61.98828	4.9
64.03049	0.8
69.31240	1.2
69.31645	5.5
71.01380	36.1
71.75050	0.7
72.99306	1.3
73.02943	10.5
77.22066	0.8
83.01376	4.3
85.02956	12.1
85.40043	0.8
87.00871	3.2
88.98816	1.0
89.02441	11.9
91.01895	1.2
93.03458	97.1
94.03798	1.8
95.01382	2.5
98.20727	1.2
99.00887	10.9
101.02443	20.2
103.03975	1.4
107.01312	0.8
107.05016	2.7
109.02940	7.3
111.08089	1.0
113.02449	14.5
116.85591	0.7
119.03508	2.4
119.05002	3.5
121.02988	0.8
123.00861	1.8
123.04518	0.8
125.02450	5.3
131.03419	1.6
135.00873	2.4
137.02440	73.5
137.06047	6.8
138.02783	1.6
143.03503	2.3
153.01936	2.9
153.05591	1.0
155.77760	0.8
159.02953	2.0
161.04549	22.4
163.06113	1.8
165.12830	12.4
169.01381	2.9
183.13892	30.4
184.14226	1.1
197.12047	0.8
197.15456	3.5
205.05078	1.0
207.13956	1.8
207.15840	0.9
209.11798	3.0
216.21719	0.8
225.14902	1.7
227.12869	34.8
251.12875	2.5
255.06221	0.9
255.08723	3.1
269.13937	3.7
271.04477	1.1
299.14874	3.1
327.25369	2.6
329.16037	11.4
341.10971	2.6
343.24893	1.7
371.24350	5.5
387.12985	12.7
388.13147	1.0
389.18127	21.9
389.25342	4.5
393.45755	1.3
429.10397	7.3
431.11902	100.0
432.01682	1.0
432.12210	7.0
465.38519	0.9
492.46271	0.9
532.69757	0.8
551.24084	25.1
551.31000	11.1
552.24548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63786	0.2
59.01379	0.3
70.26406	0.6
70.26729	0.2
71.00587	0.2
71.01413	0.2
71.36197	0.1
75.35146	0.1
78.95908	4.5
79.95731	2.5
81.87471	0.2
96.96014	100.0
96.96912	8.0
97.46086	0.2
97.95946	0.4
98.20656	0.2
121.02953	0.7
121.82574	0.2
123.04522	0.2
156.28188	0.2
216.69002	0.2
219.68604	0.2
325.10760	0.2
369.09866	0.4
415.78479	0.2
427.12155	0.2
549.29730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10307	0.2
59.01380	0.9
61.98829	100.0
69.34832	1.4
76.12569	0.2
91.33907	0.2
98.19905	0.4
105.12421	0.2
240.62898	0.2
549.87555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1769
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
50.05835	0.3
59.01382	1.5
61.98831	1.4
65.00330	0.7
71.01394	0.8
73.02972	0.3
75.00877	1.0
76.36108	0.2
79.01898	0.3
80.02685	0.7
85.02928	0.3
87.00917	0.3
89.02450	0.7
91.01897	12.5
95.01388	1.2
97.02925	0.4
98.19862	0.5
99.00908	0.2
101.02460	0.6
107.01405	1.4
107.05039	0.6
108.02173	16.7
109.02973	3.5
109.28710	0.2
111.00893	0.6
113.02482	0.3
121.02946	1.1
123.00889	7.3
124.01660	0.8
125.02444	4.0
135.00883	13.2
136.98827	0.3
137.02448	3.0
139.00317	1.3
139.04005	0.4
139.38503	0.2
140.01175	0.9
141.01949	0.3
151.00348	2.5
152.01151	15.4
153.01845	0.8
163.03952	0.3
167.05392	0.2
168.00633	1.0
169.01410	3.8
190.94753	0.2
193.80197	0.2
195.02989	0.3
197.06067	1.3
199.07648	0.3
209.11717	0.3
210.95390	0.2
211.02461	0.3
213.05455	1.1
215.07048	0.7
225.05553	0.4
243.06602	100.0
244.06931	4.9
271.04648	0.6
310.11499	0.3
313.05609	0.3
443.11646	0.5
551.17511	4.5
551.24982	26.8
552.18018	0.4
552.25281	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	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45296	0.3
59.01373	1.7
61.98834	0.9
65.00333	0.6
65.03956	4.0
67.01881	2.1
70.26480	1.4
71.01378	1.0
78.00327	0.4
85.02940	0.5
91.01894	25.4
92.02232	0.7
93.03465	1.7
101.02425	0.5
106.05615	0.4
107.01454	0.5
109.02950	27.7
110.03298	0.7
110.07256	0.4
123.00897	0.8
125.02453	1.2
135.00882	83.6
136.01192	2.0
137.02449	4.5
149.02423	0.4
151.00351	0.6
153.01929	100.0
154.02278	2.2
154.03316	0.4
163.37894	0.4
169.01408	1.2
175.03915	0.6
177.01990	0.4
195.02960	0.4
243.06573	3.9
289.40765	0.4
383.30768	0.4
431.11761	0.8
443.11914	4.5
444.12537	0.6
474.28510	0.5
511.68695	0.5
551.24683	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	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98834	0.4
70.87835	0.2
76.15723	0.2
77.03976	2.0
93.03449	0.6
97.62419	0.2
114.59873	0.2
117.03484	0.3
119.05026	0.7
121.02955	100.0
122.03282	2.7
137.02440	0.5
145.02972	0.3
163.04015	0.5
165.01927	55.8
166.02255	1.4
180.05798	0.6
181.06581	2.7
197.06090	2.0
207.04518	0.8
207.08174	0.3
223.03946	0.4
225.05629	1.7
257.09644	0.7
285.09308	0.4
313.07108	1.5
357.06183	0.9
383.07782	0.4
417.09869	2.1
454.83044	0.2
505.11414	1.8
549.10370	27.8
550.10651	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	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03436	3.1
58.00581	5.8
59.01379	100.0
61.98830	20.6
65.78229	1.4
66.33038	1.4
71.01381	71.8
71.28266	1.4
72.99323	7.1
73.02942	5.5
75.00877	1.5
80.91694	2.3
83.01375	2.9
85.02937	17.5
87.00877	4.6
89.02444	94.5
95.01380	6.3
97.06608	1.6
101.02435	34.0
103.04031	1.9
106.22906	1.6
109.02950	3.6
113.02452	34.2
119.03498	29.2
121.02922	1.7
123.00845	2.3
123.04497	2.6
125.02436	11.0
131.03484	5.0
135.04616	1.4
137.02457	5.9
139.00424	1.9
143.03474	6.4
149.04564	2.3
151.04013	3.0
161.02466	3.8
161.04547	5.9
163.06099	1.6
165.02026	1.6
167.03499	1.5
169.01422	6.4
177.01813	2.9
179.05623	15.2
187.30608	1.4
211.02444	1.6
225.05586	18.7
226.06044	2.6
241.08684	40.0
242.08952	1.7
251.23627	1.7
265.21912	1.8
295.22733	2.1
325.23868	7.8
341.23346	7.4
351.21854	5.7
369.22791	20.3
387.14075	2.1
387.23859	29.8
388.24191	2.9
429.15881	7.8
429.24716	3.6
464.22006	4.3
549.23291	11.8
549.29724	74.4
550.29321	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	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53992	0.9
54.13884	0.8
59.01381	28.4
61.98830	100.0
64.29509	0.8
68.37691	0.8
71.01380	8.7
71.52125	0.8
72.99287	1.0
73.02960	6.9
78.45364	0.9
80.91679	0.9
82.95415	1.6
83.01367	4.4
85.02939	3.4
87.97715	0.8
89.02457	4.9
93.03457	3.0
96.58870	0.8
96.96026	2.0
101.02440	11.3
105.43693	0.8
105.68291	0.9
108.02161	1.2
109.02971	1.4
113.02437	2.8
119.03468	2.0
121.02967	1.1
123.04529	1.9
125.02459	5.9
129.01971	1.1
131.03479	1.0
133.02937	1.8
137.02455	7.7
139.04019	1.0
143.03508	1.8
149.02443	0.8
149.04546	2.2
150.03169	1.4
151.00290	1.6
151.03960	2.5
152.01216	0.9
160.04059	1.8
161.02473	3.8
161.04503	4.0
165.01881	2.4
166.02283	1.0
167.03418	1.1
169.01373	1.3
175.03900	0.9
182.05829	0.9
205.05028	1.3
221.06670	1.8
245.08156	0.9
288.05789	0.8
289.07175	2.3
370.13745	1.6
384.11102	0.9
387.14523	1.4
485.19360	1.1
525.21814	0.8
548.24768	2.5
549.19781	3.7
549.22626	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.1
59.01380	2.1
61.98824	1.8
62.18002	0.2
65.00301	0.8
69.03455	0.4
71.01385	2.8
72.99306	0.3
73.02924	0.4
81.03457	6.6
83.01376	2.7
83.05011	0.3
85.02943	0.4
87.00873	3.8
89.02412	0.7
93.03476	0.4
93.63657	0.3
95.05009	0.4
96.95979	0.6
97.02929	0.2
101.02431	0.6
107.01389	0.4
107.05004	0.9
109.02933	0.5
109.06618	0.3
111.00851	1.0
113.02433	0.6
113.06059	0.6
114.69405	0.2
114.99571	0.4
115.00377	6.9
121.02972	0.3
122.03724	0.3
123.04508	0.9
123.08084	0.3
125.02449	21.4
125.06065	0.4
126.02755	0.5
127.00372	0.3
129.09225	0.6
133.06573	1.4
135.04526	0.6
136.05283	0.5
137.02455	3.8
139.00381	1.7
149.02441	1.4
150.03235	0.2
151.00351	1.6
151.04047	1.2
151.07663	0.4
153.09167	0.7
155.07138	1.1
157.01419	3.3
163.03984	0.2
165.01906	0.6
167.03380	0.5
175.02483	12.0
177.01903	0.3
177.05640	0.4
177.09215	0.6
179.03445	0.8
195.10263	2.3
221.08159	2.4
228.73621	0.2
239.09241	100.0
240.09602	3.9
253.07169	0.3
263.09311	0.5
281.10205	0.3
289.06894	0.3
295.10733	0.8
327.13440	0.7
339.09940	0.5
367.11865	0.6
371.12527	1.3
385.13235	0.3
391.13141	0.3
401.13165	0.2
429.13150	0.5
433.13416	0.6
467.14645	1.0
467.22244	0.2
485.15823	0.7
487.13101	0.4
547.20465	10.8
547.26898	0.5
548.20862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01379	24.4
60.01709	1.1
61.98833	22.9
63.02397	1.7
64.05061	1.6
65.00322	18.8
68.44998	1.1
68.99834	2.3
69.03442	1.4
71.00632	2.6
71.01388	19.9
72.99306	2.1
73.02953	7.5
73.51443	1.2
78.56686	1.1
83.01388	10.1
85.02943	8.9
87.00869	2.8
89.02436	8.3
93.03490	1.6
95.01387	1.2
96.95970	1.7
98.52419	1.1
99.00864	2.6
101.02442	19.4
103.04011	3.3
103.93999	1.2
104.02693	1.2
106.03392	1.3
107.01381	12.4
107.05037	1.3
108.02177	3.9
109.02947	4.1
110.00104	1.3
111.00892	1.6
113.02435	6.9
117.07110	2.5
119.03510	4.2
119.08629	1.3
121.02956	3.0
121.06574	7.7
123.04530	16.5
124.01669	2.6
125.02454	14.5
131.03522	2.0
131.04935	1.2
133.02940	5.6
134.03755	1.3
135.04535	15.7
136.01634	1.6
137.02452	1.9
143.03484	2.5
143.05032	2.2
145.02946	1.6
145.06595	10.7
147.04422	3.1
149.02469	8.2
149.99617	1.5
150.03220	24.8
151.00369	79.7
151.03999	35.8
152.01141	6.4
153.01901	2.4
157.02962	1.4
158.03760	3.1
159.04480	2.1
161.02466	2.4
161.04552	5.7
161.05891	1.7
161.09735	3.6
163.00462	5.6
163.01567	1.2
163.06123	7.4
163.07654	11.3
164.01192	1.9
169.01414	2.9
172.05309	1.7
173.06033	1.7
174.03230	2.0
175.04062	10.1
176.01105	1.4
177.01932	16.6
178.02580	1.3
178.99850	15.4
181.01448	10.9
187.07649	13.6
189.02042	1.8
189.05585	5.3
190.02625	1.8
190.99899	2.6
191.03587	2.0
193.05005	2.2
197.11800	2.1
199.04033	3.6
201.01886	3.1
203.03555	6.0
203.07182	3.4
204.07896	5.2
205.07141	2.1
205.08733	25.1
215.03517	1.6
216.04272	1.4
217.05078	9.1
219.02948	1.6
219.22372	1.1
229.05070	2.0
231.06616	65.7
232.07368	15.3
233.08035	4.7
241.05077	2.7
243.06721	1.2
247.08313	2.0
249.07716	3.2
250.08018	1.2
253.09114	2.1
254.09700	1.4
256.03403	1.7
257.04251	1.6
259.06094	15.8
260.06802	5.7
261.07755	2.3
277.07162	7.1
284.03165	7.2
285.03979	35.0
286.03967	8.1
292.20209	1.7
297.04068	1.5
297.09717	6.1
297.83170	1.1
302.04114	2.3
303.05054	23.4
309.04077	5.6
309.20767	3.5
310.04742	6.8
310.21005	2.6
321.11346	1.9
323.07721	4.3
331.04715	1.5
337.10806	1.7
355.11865	5.4
365.10281	100.0
366.10522	7.6
382.10107	2.4
383.11325	50.1
384.11746	3.3
401.12305	1.6
401.25394	17.5
449.10822	25.3
450.11050	4.3
529.17181	42.3
530.17310	3.8
547.17798	5.0
547.31158	21.0
548.17853	1.5
548.31787	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01379	24.4
60.01709	1.1
61.98833	22.9
63.02397	1.7
64.05061	1.6
65.00322	18.8
68.44998	1.1
68.99834	2.3
69.03442	1.4
71.00632	2.6
71.01388	19.9
72.99306	2.1
73.02953	7.5
73.51443	1.2
78.56686	1.1
83.01388	10.1
85.02943	8.9
87.00869	2.8
89.02436	8.3
93.03490	1.6
95.01387	1.2
96.95970	1.7
98.52419	1.1
99.00864	2.6
101.02442	19.4
103.04011	3.3
103.93999	1.2
104.02693	1.2
106.03392	1.3
107.01381	12.4
107.05037	1.3
108.02177	3.9
109.02947	4.1
110.00104	1.3
111.00892	1.6
113.02435	6.9
117.07110	2.5
119.03510	4.2
119.08629	1.3
121.02956	3.0
121.06574	7.7
123.04530	16.5
124.01669	2.6
125.02454	14.5
131.03522	2.0
131.04935	1.2
133.02940	5.6
134.03755	1.3
135.04535	15.7
136.01634	1.6
137.02452	1.9
143.03484	2.5
143.05032	2.2
145.02946	1.6
145.06595	10.7
147.04422	3.1
149.02469	8.2
149.99617	1.5
150.03220	24.8
151.00369	79.7
151.03999	35.8
152.01141	6.4
153.01901	2.4
157.02962	1.4
158.03760	3.1
159.04480	2.1
161.02466	2.4
161.04552	5.7
161.05891	1.7
161.09735	3.6
163.00462	5.6
163.01567	1.2
163.06123	7.4
163.07654	11.3
164.01192	1.9
169.01414	2.9
172.05309	1.7
173.06033	1.7
174.03230	2.0
175.04062	10.1
176.01105	1.4
177.01932	16.6
178.02580	1.3
178.99850	15.4
181.01448	10.9
187.07649	13.6
189.02042	1.8
189.05585	5.3
190.02625	1.8
190.99899	2.6
191.03587	2.0
193.05005	2.2
197.11800	2.1
199.04033	3.6
201.01886	3.1
203.03555	6.0
203.07182	3.4
204.07896	5.2
205.07141	2.1
205.08733	25.1
215.03517	1.6
216.04272	1.4
217.05078	9.1
219.02948	1.6
219.22372	1.1
229.05070	2.0
231.06616	65.7
232.07368	15.3
233.08035	4.7
241.05077	2.7
243.06721	1.2
247.08313	2.0
249.07716	3.2
250.08018	1.2
253.09114	2.1
254.09700	1.4
256.03403	1.7
257.04251	1.6
259.06094	15.8
260.06802	5.7
261.07755	2.3
277.07162	7.1
284.03165	7.2
285.03979	35.0
286.03967	8.1
292.20209	1.7
297.04068	1.5
297.09717	6.1
297.83170	1.1
302.04114	2.3
303.05054	23.4
309.04077	5.6
309.20767	3.5
310.04742	6.8
310.21005	2.6
321.11346	1.9
323.07721	4.3
331.04715	1.5
337.10806	1.7
355.11865	5.4
365.10281	100.0
366.10522	7.6
382.10107	2.4
383.11325	50.1
384.11746	3.3
401.12305	1.6
401.25394	17.5
449.10822	25.3
450.11050	4.3
529.17181	42.3
530.17310	3.8
547.17798	5.0
547.31158	21.0
548.17853	1.5
548.31787	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09474	0.9
57.03448	9.0
59.01387	7.2
60.99350	0.8
61.98831	71.9
65.00324	2.7
66.03486	1.1
71.01387	5.1
72.99306	1.0
81.03448	5.8
83.01385	17.0
85.02958	4.7
89.02454	2.0
91.21021	0.9
95.01372	1.2
95.05019	1.4
96.95989	2.0
97.02930	1.2
98.20705	1.7
99.00944	1.6
101.02438	3.2
107.01379	1.9
108.02217	1.5
109.02953	2.5
110.02488	1.1
113.02441	2.3
119.05063	1.3
121.02964	1.9
122.03726	1.8
123.00921	1.5
123.04524	40.8
124.01658	1.7
124.04825	1.1
125.02448	87.7
126.02752	2.8
129.01953	2.4
132.03004	1.8
135.04544	5.4
137.02451	5.8
139.00366	1.1
149.02419	4.0
150.03210	4.5
151.00346	11.7
151.03976	2.5
152.01067	4.3
161.02400	5.0
161.04512	1.3
163.04022	2.8
165.01936	7.7
166.02699	5.1
167.03491	100.0
168.03825	3.4
169.01401	2.0
171.07867	1.0
175.03979	1.3
176.04764	3.8
177.01958	3.0
178.99759	1.2
179.03506	8.1
189.12729	1.2
191.03566	2.0
196.66220	1.0
197.47296	1.0
205.01381	1.0
205.08720	2.4
217.05157	1.0
231.10313	1.3
241.08626	1.0
259.06253	1.3
259.09698	2.6
285.04007	1.5
287.05658	2.9
288.06378	3.9
289.07028	1.9
297.11243	1.7
313.05548	3.0
351.08661	1.4
367.12039	6.7
373.25974	1.1
382.09869	1.5
383.10904	3.2
385.12912	63.6
386.13388	5.4
401.12054	1.7
449.10779	1.3
484.16171	1.4
547.16449	5.1
547.28296	2.4
563.10223	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08729	1.2
57.03439	3.7
59.01383	11.3
61.98830	14.5
63.02361	1.5
64.90436	1.2
65.00319	15.2
67.01879	2.4
68.99802	1.3
69.63383	0.9
71.01354	2.1
72.29063	1.0
73.02966	1.5
74.28864	1.1
74.87557	1.1
83.01401	7.2
85.02937	1.6
87.00855	1.2
95.01389	2.6
95.05018	5.1
98.20657	2.6
99.00843	1.2
101.02428	2.2
107.01393	16.7
107.35117	1.2
108.02164	1.6
109.02927	4.6
113.02454	1.2
119.05031	10.5
121.02937	2.3
123.00871	1.9
123.04518	15.2
124.01665	7.9
125.02453	41.2
125.74154	1.0
126.02767	1.4
130.41843	1.1
133.02946	5.3
135.03596	2.0
135.04512	12.7
135.08186	1.9
136.88506	1.0
137.02420	3.3
137.06081	7.0
137.09683	1.5
138.03513	1.4
139.03975	1.9
147.04541	1.4
147.05740	1.1
149.02402	6.2
150.03239	21.6
150.05624	1.2
151.00375	82.2
151.04005	31.3
152.01166	34.6
153.01900	3.6
153.09203	2.1
154.93781	1.3
159.04478	1.4
161.02431	3.3
161.06053	5.3
162.83905	1.6
163.07593	2.7
165.01924	2.9
167.03488	1.7
169.01421	1.4
171.04497	1.5
174.03188	2.3
175.04012	6.6
176.01143	2.4
177.01942	7.8
177.05551	2.4
177.94199	1.1
178.99854	8.8
179.03482	17.0
179.07143	13.8
181.01440	1.7
181.08643	1.3
189.05537	2.4
193.05023	2.1
199.04022	3.7
201.01932	2.6
205.01271	1.4
205.05054	39.3
205.08733	1.6
206.05621	2.8
207.03032	13.0
207.06624	31.3
208.06920	1.5
213.05544	1.3
217.05048	4.9
219.02913	1.6
221.08093	2.3
222.08946	4.8
223.09785	6.8
231.06642	1.7
241.05086	2.4
249.07661	51.2
250.08328	8.0
253.05074	1.3
256.03534	2.0
257.04309	1.6
259.06140	1.4
275.05536	3.7
277.07147	24.1
278.07596	3.1
283.02371	1.6
284.03244	5.1
285.04001	33.8
286.04025	5.1
297.09900	5.2
303.05008	5.3
309.04092	4.5
310.04721	3.0
311.05704	1.3
311.09097	1.3
313.10922	1.8
323.07620	2.9
339.08734	76.2
340.09177	5.4
351.08542	1.6
357.09579	1.9
365.10397	2.0
382.10529	1.4
383.11328	100.0
384.11621	7.0
385.12531	1.3
400.11371	1.6
401.12405	38.1
401.17715	1.9
402.12854	3.9
449.10934	7.3
487.32590	3.3
502.76990	1.4
503.15732	3.9
505.34128	2.0
529.17139	3.5
547.18048	73.5
548.18225	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	546.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13191	0.3
61.98837	0.7
64.89375	0.4
71.01405	0.4
71.50843	0.4
78.95931	0.4
85.02951	0.4
96.96017	1.0
102.05608	39.6
103.05921	0.4
109.02963	0.6
119.08887	0.3
125.02482	1.9
128.03539	30.9
129.03862	0.5
137.02428	0.8
145.06174	1.2
146.04588	100.0
147.04967	1.9
151.04001	0.5
164.01186	0.9
178.00943	0.7
179.03491	3.6
187.07660	1.2
193.03297	0.9
236.18143	0.4
239.05664	0.4
266.73181	0.3
274.04169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31181	0.2
59.01367	1.0
61.98819	0.4
62.10742	0.3
65.00323	0.9
67.20415	0.3
69.23997	0.3
69.95149	1.2
76.94949	0.3
78.26311	0.3
78.95903	0.3
79.53528	0.2
79.95729	2.9
80.51153	0.2
83.01385	0.4
93.03419	0.3
96.96006	100.0
98.19964	0.5
107.01394	1.4
113.02503	0.3
123.04543	0.5
125.02444	1.4
129.00252	0.3
137.02443	0.4
150.03259	0.6
151.00360	4.4
151.03995	0.9
152.01144	0.7
175.03986	0.3
177.01903	0.6
178.99829	0.9
285.04019	2.4
289.07358	0.3
303.05020	1.7
308.11362	0.3
333.57059	0.3
387.51099	0.3
449.10916	3.5
450.10956	0.3
547.24512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68862	0.2
58.71598	0.2
59.01382	0.3
65.00311	0.6
71.28924	0.5
77.74282	0.2
78.95890	1.0
79.95727	3.0
83.01421	0.4
83.99667	0.2
85.08913	0.2
87.56745	0.2
89.02465	0.3
96.96009	100.0
107.01370	1.1
109.02934	0.4
113.02461	0.3
123.04554	0.4
125.02419	1.0
137.02501	0.4
149.02464	0.2
150.03224	0.6
150.58775	0.2
151.00363	4.5
151.03995	0.8
151.66550	0.2
152.01085	0.5
165.02148	0.3
166.85715	0.3
177.01921	0.6
178.99892	0.8
201.67433	0.2
211.18164	0.2
238.39995	0.2
257.72900	0.3
285.04071	2.8
289.07281	0.4
297.09827	0.3
303.04953	1.5
449.10870	2.8
508.26077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33811	0.5
57.03443	1.2
59.01377	11.4
61.98820	1.4
67.97719	0.5
69.03459	3.0
71.01375	8.4
71.05012	0.7
73.02935	1.9
73.41164	0.5
80.02670	0.9
81.03472	0.5
83.01395	1.6
83.05035	1.2
85.02938	2.6
87.00876	1.1
89.02446	7.7
95.01360	1.3
95.04994	0.6
97.02950	9.3
97.06561	1.4
99.00857	0.6
99.86371	0.4
99.96884	0.5
101.02451	8.6
108.23436	0.5
111.08162	2.0
112.17984	0.5
113.02469	4.0
119.03501	2.9
123.04530	0.5
123.08094	0.7
125.09724	2.0
137.09746	3.0
143.03519	1.1
161.04590	4.2
163.11267	2.6
165.12857	6.3
169.12320	0.7
171.10281	7.0
179.05554	1.3
179.14394	0.8
181.12341	1.2
183.13887	2.0
193.12288	1.2
193.16008	0.8
194.85130	0.6
197.11829	7.3
199.13313	0.6
209.11841	2.8
211.13429	3.0
217.15918	0.7
223.13435	1.2
227.12865	5.2
247.20679	5.0
253.09288	38.3
254.09715	1.3
265.18134	0.8
273.18600	1.9
284.03381	1.5
291.19650	53.2
292.19977	3.2
309.20700	100.0
310.21082	6.1
545.29559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51085	0.4
57.03439	0.8
58.00602	0.6
59.01105	0.7
59.01379	9.4
61.98827	3.4
67.97817	0.4
69.03458	1.0
71.01383	7.3
71.06347	0.6
71.06665	0.4
72.99315	0.5
73.02943	1.3
81.03458	0.6
83.01379	1.0
83.04980	0.5
85.02951	2.0
87.00876	1.3
89.02442	6.8
95.05016	0.5
97.02953	4.9
97.06587	0.9
99.00854	0.7
101.02444	8.1
103.24523	0.4
111.08181	2.6
113.02448	4.2
113.09712	0.5
115.98167	0.4
119.03497	1.8
123.04485	0.7
125.09705	1.2
126.02698	0.4
133.05055	0.4
137.09695	1.8
143.03453	0.9
151.00240	0.6
153.12859	0.5
161.04544	3.7
163.11272	1.0
165.12833	3.8
167.14442	1.0
169.12326	0.9
171.10309	4.1
179.05583	1.1
181.12274	2.0
183.13872	0.9
185.11786	0.7
193.12326	1.0
193.15964	1.0
195.13844	0.6
197.11798	10.0
198.12073	0.5
199.13367	0.6
209.11902	2.7
211.13396	3.6
225.14919	0.5
227.03612	0.4
227.12918	3.1
247.06204	0.8
247.20570	3.4
253.09273	29.5
254.09688	0.8
263.20178	1.0
273.18549	2.0
281.21213	0.6
284.03189	1.5
291.19641	42.3
292.20023	2.8
309.20691	100.0
310.21014	5.6
381.09647	0.9
545.17474	0.6
545.29620	4.4
546.29694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.5
59.01109	2.1
59.01379	28.9
60.72952	1.7
61.98822	1.7
69.17911	1.5
71.01395	8.3
72.99298	2.8
89.02436	18.6
91.04008	74.5
98.20626	4.8
103.93601	1.4
124.99111	1.3
125.02417	4.9
215.40446	1.3
229.23900	2.0
254.82007	1.5
269.78571	1.4
335.33182	100.0
336.33563	8.3
353.34161	1.6
371.90765	1.6
379.32159	54.4
380.32379	3.1
397.33182	56.2
398.33533	7.0
401.32410	1.3
453.30048	2.2
453.35861	33.6
454.36118	3.8
471.36868	53.8
472.37207	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.6
59.01374	32.1
71.01387	5.8
77.62916	2.7
79.90051	2.4
84.59958	3.2
87.71537	2.8
89.02437	18.3
91.04008	74.1
125.02446	25.1
335.33176	100.0
336.33435	9.0
353.34586	3.0
369.19891	3.2
379.32202	53.8
380.32364	4.0
397.33139	50.5
398.33328	3.9
453.35873	28.6
471.36884	46.0
472.37357	4.6
518.95178	2.9
553.44214	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	546.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13191	0.3
61.98837	0.7
64.89375	0.4
71.01405	0.4
71.50843	0.4
78.95931	0.4
85.02951	0.4
96.96017	1.0
102.05608	39.6
103.05921	0.4
109.02963	0.6
119.08887	0.3
125.02482	1.9
128.03539	30.9
129.03862	0.5
137.02428	0.8
145.06174	1.2
146.04588	100.0
147.04967	1.9
151.04001	0.5
164.01186	0.9
178.00943	0.7
179.03491	3.6
187.07660	1.2
193.03297	0.9
236.18143	0.4
239.05664	0.4
266.73181	0.3
274.04169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75994	3.8
59.01369	13.4
61.98809	9.3
65.33180	3.4
69.14559	8.4
69.14977	31.6
71.01376	8.4
84.36662	3.6
89.02459	6.6
101.02448	7.5
111.08147	13.6
113.02479	6.2
126.58997	3.7
161.04556	5.3
179.10709	4.0
195.13918	12.6
197.11894	7.0
231.06595	8.6
232.07323	4.2
253.09290	18.5
291.19662	100.0
292.19934	6.1
309.20615	16.0
349.10773	29.6
513.17560	17.1
536.88318	3.5
545.30133	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01371	14.1
61.98827	5.6
69.16795	23.6
71.01382	9.8
89.02454	6.1
98.19791	4.0
98.68021	2.1
101.02448	7.1
111.08163	15.1
113.02459	3.3
117.03416	10.4
119.05031	12.6
134.81348	2.2
145.02959	19.6
149.09720	2.2
151.00414	2.8
161.04599	5.2
163.04059	4.4
180.29514	2.3
182.71828	2.3
195.13890	8.0
197.11775	3.2
247.20715	3.5
253.09317	17.5
253.29115	2.3
264.33020	2.7
290.05701	2.8
291.19653	100.0
292.20026	6.7
309.20621	16.0
339.08737	2.9
545.18225	26.0
545.26697	3.0
545.29474	2.7
546.18817	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	545.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27262	0.4
55.01899	0.5
57.03443	3.7
59.01385	3.0
60.19243	0.4
61.98824	2.3
65.00363	0.5
69.03490	0.7
71.01378	2.1
71.50775	0.4
72.99316	0.5
73.02967	0.6
75.00867	1.8
78.98174	0.4
81.03461	3.3
83.01388	2.3
85.02961	1.9
86.60882	0.4
89.02462	1.1
95.01449	0.8
95.05036	0.6
99.00922	1.5
101.02463	0.9
102.05645	0.4
107.01418	0.6
107.05056	0.5
108.02225	0.4
109.02984	1.1
109.06612	1.3
111.04542	1.0
113.02448	2.1
123.04527	21.1
124.04903	0.5
125.02455	14.7
126.02847	0.4
128.03600	0.4
133.06627	0.9
135.04500	4.1
137.02472	0.6
139.00359	0.4
139.54277	0.4
143.07164	0.7
145.06227	1.1
146.04643	0.9
148.16568	0.4
149.02425	2.1
151.00381	2.1
151.04030	0.9
151.07687	2.6
153.01962	0.7
160.04039	1.6
163.04031	0.7
167.03494	38.2
168.03825	1.5
175.07657	0.5
177.05556	1.0
179.03500	18.2
180.03879	0.7
191.03543	0.8
219.06621	10.0
231.10289	0.4
233.08281	0.5
235.06277	0.4
237.07684	100.0
238.07996	5.0
249.27162	0.4
259.35873	0.4
261.07797	0.4
279.08725	0.7
283.74814	0.4
433.13095	0.9
501.16168	4.5
545.18738	18.1
546.19330	1.9
569.36737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23774	0.5
57.03450	7.6
59.01376	2.2
61.98820	3.8
62.42812	0.5
63.02393	1.9
63.62700	0.5
65.00323	22.7
67.01876	0.5
70.94778	0.6
70.95113	0.9
71.01371	1.5
83.01383	9.9
85.02941	1.4
93.03458	1.2
95.01357	2.5
97.02937	0.6
107.01387	25.7
109.02940	1.7
111.00883	1.1
121.03013	0.8
123.00900	1.2
123.04530	1.8
124.01675	3.3
125.02444	53.9
126.02789	0.9
137.02429	2.6
146.03745	2.5
149.02440	1.3
150.03218	2.6
151.00365	100.0
151.03947	1.4
152.01167	12.9
153.01932	6.3
157.06406	0.6
158.03740	0.7
159.04533	1.3
159.08224	0.6
161.02415	0.6
164.01140	0.8
165.01918	7.3
167.03575	2.6
169.01469	2.5
171.04486	0.5
172.05281	2.3
173.06017	1.1
174.03200	10.7
174.06725	0.5
175.03928	1.5
175.07625	6.0
177.01929	2.6
178.99846	19.1
181.01375	4.2
182.02194	0.5
185.06046	1.6
186.03166	0.5
186.06818	0.7
187.04039	3.0
187.07637	1.8
188.04803	1.0
189.05580	1.2
190.06320	0.8
197.06059	0.6
199.04019	1.2
200.04793	6.8
201.05598	1.2
201.09204	1.5
202.06340	2.6
203.07132	21.6
204.07494	1.1
205.01437	0.8
211.03964	1.5
211.07700	1.4
213.05542	0.9
214.02626	0.7
214.06270	0.6
215.03516	2.1
215.07123	7.9
216.04269	1.2
216.07878	2.4
217.05087	2.2
217.08653	1.0
220.35405	0.5
226.02571	0.6
227.03380	0.8
227.07076	1.2
229.04965	1.4
229.08699	10.8
237.05466	0.6
240.04347	0.9
241.04893	0.8
242.05836	0.5
243.02921	4.1
243.06580	1.5
244.03792	4.1
244.07394	1.3
245.08243	1.7
246.08846	4.3
247.06053	2.1
247.09705	2.8
253.08661	0.7
255.06628	4.0
269.08179	0.8
272.06903	7.2
273.07648	30.0
274.07977	1.3
283.02365	0.6
283.06000	0.9
284.03299	5.6
289.07382	1.0
294.08844	0.8
295.09808	1.2
306.05948	0.5
307.06082	0.7
309.03894	0.8
313.10696	0.8
319.09656	0.7
335.09113	0.8
336.10031	0.9
337.07150	0.8
337.10669	2.7
339.12683	0.5
349.12912	0.8
353.10349	1.1
363.08694	6.7
364.09085	0.7
371.11206	2.4
381.09778	38.0
382.10156	3.4
382.71933	0.5
393.15482	3.7
399.10818	14.3
400.11258	1.1
419.13474	23.9
420.13870	2.0
527.15436	2.0
545.16711	8.0
545.29523	1.7
546.16833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.5
59.01377	2.2
61.98825	3.5
63.02383	2.1
65.00324	21.1
70.80596	1.9
72.87498	0.6
80.33966	0.6
81.03447	1.1
83.01389	10.8
93.03464	1.3
95.01394	1.8
104.99117	0.7
107.01391	23.7
109.02932	1.6
121.02989	0.9
123.00883	1.1
123.04528	2.8
124.01665	3.0
125.02449	54.5
126.02812	0.9
133.02916	0.7
137.02486	1.7
146.03694	3.3
149.02478	1.2
150.03235	2.7
151.00368	100.0
151.03970	1.9
152.01167	10.8
153.01962	5.8
159.04498	1.3
159.24460	0.7
161.02435	0.9
163.04001	0.7
165.01910	7.7
167.03484	1.4
169.01425	1.6
170.33430	0.6
172.05347	2.3
173.02446	0.7
173.06021	1.3
174.03239	11.0
174.06870	1.0
175.03908	2.0
175.07652	5.1
177.01964	2.6
178.99864	17.2
179.07220	0.7
180.00317	0.8
181.01422	4.8
182.02252	0.9
183.03046	0.8
185.06035	1.4
186.03142	1.0
186.06837	1.4
187.04053	3.9
187.07661	1.8
188.04910	0.8
189.05582	1.3
193.01453	1.1
200.04790	6.8
201.01912	0.8
201.05460	1.5
201.09306	1.8
202.06337	2.8
203.07135	21.9
211.04150	0.7
211.07613	1.3
212.04880	0.7
213.05591	0.7
214.02692	0.9
214.06364	1.0
215.03519	2.1
215.07104	7.8
216.04234	0.7
216.07814	1.4
217.05069	2.9
217.08574	0.9
224.04826	0.6
227.03671	1.1
227.07065	1.5
229.05113	1.5
229.08717	11.4
230.05696	1.1
233.06203	0.9
241.05049	1.2
243.03023	5.5
243.06610	1.9
243.10338	0.7
244.03639	3.4
244.07466	1.4
245.08209	0.7
246.08920	4.6
247.06184	3.2
247.09714	3.0
253.08710	1.6
255.06653	5.3
256.03836	0.9
265.04996	0.8
270.08987	1.0
272.06879	8.1
273.07703	24.2
274.08011	1.2
284.03323	4.0
295.09671	0.9
306.05365	1.1
309.11313	0.8
329.08771	0.7
336.10190	0.8
337.07227	1.3
337.10913	2.0
353.10403	1.7
363.08810	5.7
371.11450	1.3
380.08844	0.8
381.09778	29.0
382.10010	3.4
393.15665	5.3
399.10831	17.7
400.11252	2.0
419.13467	25.8
420.13840	2.3
483.18314	1.3
527.15631	1.8
540.27771	0.8
545.16675	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	544.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
61.98831	100.0
66.86129	1.3
67.97786	1.2
69.89905	6.5
71.60136	1.4
89.65970	1.2
111.59334	1.5
125.45056	1.4
169.12276	2.8
171.10295	1.9
202.62077	1.2
212.93593	1.4
315.20609	1.4
382.01593	1.5
390.57263	1.5
544.39020	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	545.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01372	5.9
61.73060	1.1
61.98816	4.6
62.03799	1.3
63.02380	1.5
65.00323	18.5
67.44328	1.4
68.99817	2.0
69.29766	10.5
69.72703	1.3
71.05014	4.1
78.54163	1.3
79.05503	1.3
81.03458	6.9
83.01408	3.6
93.03489	1.3
93.16648	1.5
105.03456	2.2
107.01360	6.0
108.02169	3.4
109.02922	1.8
117.03452	1.4
121.02934	3.6
121.06564	1.4
122.03757	2.0
123.04525	23.4
124.01665	3.0
125.02465	7.0
130.51039	1.2
133.02954	2.3
134.03732	1.4
135.04521	5.2
137.06110	6.8
139.04108	1.3
145.02946	2.8
146.03650	1.7
147.04510	4.9
149.02415	8.4
149.99629	1.7
150.03229	24.1
151.00375	31.2
151.02875	2.2
151.04007	31.7
152.01123	5.8
152.04387	1.3
153.09212	1.4
161.02425	3.9
161.06081	6.8
162.03224	3.9
163.04025	11.4
164.01178	2.2
165.01944	1.4
169.01384	1.5
174.03209	2.4
175.00383	1.8
175.04016	4.7
175.07588	1.6
176.01169	1.8
177.01917	11.5
177.05527	1.9
178.99850	17.6
179.07137	12.9
180.07565	1.7
187.03938	1.6
189.01981	2.7
189.05490	2.1
190.02710	9.8
191.03421	4.3
199.03850	1.6
201.01930	1.9
203.07120	11.0
205.01419	2.4
205.04997	1.5
215.03412	1.9
217.05043	2.4
219.03009	1.9
219.06625	5.5
219.10188	1.7
220.07320	2.5
221.08176	22.6
222.01648	2.2
227.03456	2.8
231.06610	3.6
239.03503	1.8
246.08884	3.1
247.06091	59.8
248.06807	10.6
249.07492	2.1
255.02977	7.8
256.03766	4.0
259.06088	2.1
273.07571	1.8
275.05573	15.4
276.06378	16.5
277.07022	4.1
283.02515	5.0
284.03256	25.6
285.04010	2.3
297.09784	4.7
309.04041	6.7
310.04739	3.7
324.06439	2.4
337.10953	1.6
353.10022	1.5
371.11377	8.2
381.09772	100.0
382.10043	6.7
393.15414	4.3
398.10037	3.9
399.10812	68.6
400.11044	4.2
419.13309	3.0
545.16693	40.5
546.16919	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	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90157	1.0
59.01380	1.8
61.98835	2.5
71.01394	1.6
76.49208	1.1
80.25725	0.9
83.01366	1.4
83.05032	5.7
97.06558	1.8
99.00916	1.3
111.99532	1.1
125.09740	2.2
163.11241	3.6
165.12849	9.1
169.12332	2.2
181.12386	1.6
183.13898	100.0
184.14182	3.6
199.13438	2.1
207.10335	1.4
209.11819	65.8
210.12154	4.6
211.13429	5.0
225.11224	3.9
227.12912	19.7
289.18164	2.2
301.16583	7.0
307.18771	1.3
335.70123	1.1
393.26480	2.3
511.29117	28.2
512.29279	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	544.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38696	2.0
57.03422	2.3
59.01366	11.1
61.98829	100.0
67.08212	2.3
69.36330	9.7
69.36755	8.3
71.01382	9.2
73.02939	6.0
78.95900	3.5
80.96481	2.3
81.03459	7.4
83.01372	4.6
85.02970	4.5
89.02428	3.3
93.03475	4.1
96.95991	14.5
96.96983	2.7
99.00848	10.6
101.02473	5.3
101.37134	2.3
107.01339	2.5
109.02981	3.7
113.02454	6.8
123.00838	4.1
123.04527	32.6
125.02450	34.8
126.90408	3.0
128.03532	10.4
128.90218	4.9
135.40457	2.1
137.02458	6.3
146.04660	2.9
149.02469	4.2
150.03165	2.3
151.00357	5.1
153.20488	2.3
164.16241	2.5
167.03488	88.4
169.01395	35.8
170.01727	2.8
181.05040	3.4
188.15369	2.6
203.06827	2.9
214.57835	2.6
313.05649	25.6
314.06079	2.7
380.11737	2.7
439.08817	4.2
481.09842	72.5
482.10129	5.8
540.21332	2.7
543.24109	6.6
544.21240	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72501	0.6
51.00509	0.6
55.01872	1.1
57.03438	1.5
59.01381	16.2
61.98832	3.3
69.03442	1.3
70.52423	1.1
70.52737	0.6
71.01375	11.8
72.99296	1.0
73.02948	2.0
73.40018	0.5
80.02674	0.7
81.03464	2.4
83.01389	2.6
83.05022	1.7
85.02935	2.8
87.00877	2.2
89.02438	9.6
95.01387	1.7
95.05017	1.7
97.02953	1.8
97.06586	5.5
98.95351	0.6
99.00893	1.0
101.02438	11.0
109.06615	1.0
111.04523	1.2
113.02470	6.2
119.03497	2.7
119.08630	1.2
119.72520	0.6
121.06588	2.1
123.04523	3.2
123.08154	1.9
125.02433	1.0
125.09741	5.8
135.08168	1.4
137.09731	3.8
141.12822	1.1
143.03481	0.9
149.06134	0.9
149.09767	0.7
153.09122	0.6
161.04529	4.9
162.94055	0.7
163.07626	0.9
163.11292	7.7
165.09258	0.7
165.12811	2.3
171.10249	0.9
175.11301	0.8
179.05618	2.0
179.10759	0.7
181.12392	1.6
185.11789	7.4
188.96335	0.6
189.12747	0.7
191.14412	10.5
192.14650	0.8
197.11743	0.7
199.52168	0.7
207.10277	5.0
209.11821	22.7
210.12231	1.0
211.13330	2.9
217.15953	1.8
225.11316	4.2
227.12866	0.8
235.08267	1.1
237.11295	12.2
238.11967	0.8
245.19051	18.0
246.19698	0.8
253.09270	43.3
254.09596	1.5
263.20184	6.4
271.17050	3.2
273.55246	0.6
279.97491	0.7
281.21310	1.1
289.18082	98.6
290.18454	7.0
307.19131	100.0
308.19464	7.3
325.20404	1.1
374.66397	0.7
525.26843	1.0
543.27991	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	543.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33220	0.5
56.43692	0.6
56.76691	0.5
58.28387	0.5
59.01384	3.0
71.01373	3.4
71.49008	0.6
71.49431	0.7
76.53052	0.5
83.05016	1.6
85.02954	5.3
95.05012	2.0
100.28503	0.6
108.95856	0.5
111.00903	0.8
111.04520	2.1
113.06094	19.0
123.92484	0.5
127.03989	0.8
128.96805	0.9
129.01970	0.8
129.05602	2.1
134.98376	0.6
139.03973	1.3
155.03497	1.0
157.05122	2.8
173.04543	5.2
183.03067	0.9
191.02054	1.3
201.04050	100.0
202.04439	3.3
202.07159	0.8
305.01706	0.6
393.40826	0.7
401.62814	0.7
471.83548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46381	0.6
51.47076	0.6
53.27570	0.4
55.01871	0.7
57.03441	0.6
58.00599	0.6
59.01378	15.8
61.98833	3.7
71.01380	14.2
72.45987	0.5
72.99287	1.3
73.02946	10.6
78.95853	0.6
83.01378	0.8
85.02941	6.3
87.00855	0.7
89.02441	13.5
89.02992	0.8
95.01369	2.1
96.96015	0.8
99.00875	44.2
101.02451	6.7
102.99117	0.5
109.02926	0.7
113.01705	0.9
113.02447	11.5
119.03483	1.6
125.02424	1.2
131.03513	2.9
134.03728	1.2
137.02419	1.1
146.03697	0.8
147.04434	0.7
149.04572	4.0
159.04495	1.7
161.04558	2.7
161.05724	0.5
163.03999	0.6
169.01462	0.8
172.05275	0.9
173.06038	2.9
174.06747	0.5
183.32617	0.5
187.03981	1.7
187.07625	12.3
188.07962	0.8
190.06230	0.6
191.05592	6.0
201.05594	3.2
202.06343	19.3
203.06732	0.7
203.10719	0.9
213.09183	0.5
216.07889	1.2
231.10254	17.2
232.10580	0.6
249.11263	1.5
281.20004	0.5
296.75244	0.5
313.05710	0.6
327.28979	0.6
411.16574	8.3
481.09869	0.8
525.20093	0.9
543.20801	100.0
544.21216	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	541.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49794	0.3
51.08282	0.2
57.03451	0.5
58.00579	0.3
59.01382	3.1
61.98837	1.5
67.01871	0.9
69.03442	0.3
69.55799	0.3
71.01379	2.6
71.05008	0.3
71.51522	0.3
72.99313	0.6
73.02938	0.6
74.97635	0.2
79.01895	0.9
81.19288	0.3
83.01386	1.1
85.02962	1.2
87.00880	0.5
88.98832	0.3
89.02448	0.8
95.01391	1.8
96.96031	0.3
97.02965	0.6
99.00868	0.8
99.04465	0.3
101.02422	1.3
107.01381	4.0
107.05063	0.3
108.02166	0.6
109.02950	1.1
110.00092	0.5
111.00887	2.0
111.04556	0.2
111.35503	0.2
112.55500	0.2
113.02464	1.3
123.00880	12.6
123.04516	0.4
124.01646	1.0
125.02445	14.9
127.00386	0.7
135.04539	0.3
136.98798	1.0
137.02414	0.9
139.00365	4.7
139.07596	0.4
140.01163	3.0
141.01929	1.5
150.03217	0.3
151.00363	10.6
152.01161	0.8
153.01915	1.0
153.09233	0.3
155.03540	0.3
155.10747	1.0
163.04021	0.8
165.01903	0.3
167.03447	0.6
168.00664	3.7
169.01422	20.6
170.01726	0.5
177.01823	0.3
177.04099	0.3
179.03395	0.3
181.05070	0.3
211.02502	1.4
227.16519	0.3
242.18379	0.3
244.34529	0.3
253.03438	0.5
271.04703	1.2
293.55862	0.2
313.05688	1.7
315.86661	0.2
326.72076	0.3
498.70374	0.3
500.76941	0.3
503.96292	0.3
508.75604	0.3
541.22919	100.0
542.23279	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	541.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73856	0.8
59.01384	3.6
60.37277	0.8
61.98837	3.0
71.01370	2.6
71.50986	1.0
72.00914	1.4
72.99310	1.1
74.02482	2.9
75.00886	2.2
82.02980	2.5
83.92314	0.9
84.04552	9.0
88.84340	0.9
88.98804	1.9
89.02464	2.4
96.96018	1.5
101.02419	1.5
101.07253	0.9
112.32389	0.9
119.05037	15.1
128.03535	6.7
128.10818	1.2
141.10347	2.7
142.12308	1.1
151.04065	1.1
163.04021	17.5
167.11906	1.2
168.10321	0.9
169.13498	2.8
171.15054	4.0
179.05707	1.0
181.05061	1.0
195.11345	1.4
197.12962	28.7
198.13251	1.2
215.13995	100.0
216.14343	4.3
241.05107	1.3
271.09763	1.6
386.64462	1.0
446.48444	1.0
541.32678	1.1
565.71704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06253	0.3
59.01380	1.8
60.99305	15.7
61.98819	0.8
69.55968	1.6
69.56381	0.9
71.01408	0.4
72.40511	0.3
78.95899	0.6
87.00893	0.8
88.00390	1.5
88.98804	100.0
89.02443	4.4
89.99136	0.6
116.43082	0.4
125.02431	0.7
137.02457	0.4
149.76387	0.4
152.99545	0.6
167.66302	0.4
179.03586	0.4
181.08624	0.6
203.93985	0.4
207.10161	0.5
225.11362	0.9
252.83769	0.4
263.79077	0.4
480.11301	0.4
541.15613	0.5
541.23065	0.7
563.51508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01387	1.7
61.98830	100.0
71.01385	1.1
71.52187	0.4
72.64060	0.2
72.99321	0.4
73.02936	0.3
76.19704	0.3
84.68957	0.3
85.02969	0.4
89.02437	0.5
91.62598	0.2
93.03428	0.2
95.05000	0.2
97.02936	0.3
98.22567	0.3
101.02472	0.6
103.04081	0.3
103.75965	0.3
108.02161	0.4
109.02962	0.6
109.16116	0.3
109.51248	0.3
113.02504	0.4
114.01988	0.4
123.04540	0.4
125.02457	1.3
137.02470	0.6
143.93227	0.3
152.01207	0.2
154.64447	0.3
161.02499	0.5
161.04591	0.2
163.11311	0.3
167.03534	0.9
168.00638	0.4
169.01465	0.6
172.18617	0.3
183.13893	0.5
184.14270	0.3
203.07050	0.3
216.20755	0.2
227.12906	0.5
228.13313	0.5
289.07245	0.5
313.05713	0.4
314.06186	0.3
395.10089	0.4
542.18158	1.1
542.26398	0.6
542.34174	0.3
543.23541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
60.10263	0.9
69.87938	3.2
69.88340	2.1
71.01381	3.5
85.02949	5.4
87.67252	0.9
95.05024	2.0
98.19897	1.0
99.49405	1.0
111.04526	1.0
113.06087	19.9
113.06812	1.6
127.04100	0.9
128.73064	0.8
129.05592	2.7
157.05072	3.9
173.04543	4.5
201.04037	100.0
202.04420	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23733	0.8
59.01380	2.8
61.56116	0.7
61.98824	1.3
66.47313	0.8
69.48878	5.5
71.01369	4.2
79.60058	0.8
80.44234	0.8
81.56289	0.7
83.05025	1.4
85.02950	5.6
93.03442	0.8
93.38357	0.8
95.05027	2.5
111.04559	1.7
113.06084	17.7
127.04037	1.6
129.05580	2.6
139.04025	1.5
147.13408	0.9
149.88412	0.8
157.05037	2.3
161.18753	0.7
173.04594	5.0
176.03467	1.5
201.04036	100.0
202.04402	2.7
216.96133	0.9
238.68332	0.8
256.41498	0.8
294.96835	0.8
297.45706	0.8
345.34036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
56.24765	0.9
56.71548	0.8
58.72191	0.8
59.01368	5.2
65.67008	0.8
67.18436	0.9
69.30129	2.0
69.30544	5.6
81.03452	16.6
83.05016	8.0
93.03456	3.9
96.96949	1.1
109.02951	5.6
111.04522	59.3
112.04863	1.4
127.04012	100.0
128.04395	1.3
136.90350	0.8
137.02429	5.4
155.03503	81.9
156.03813	1.8
199.02470	98.0
199.07300	4.0
200.02840	2.3
200.05595	5.7
217.81155	1.0
251.09590	0.9
266.08435	0.9
541.15063	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	541.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94081	3.9
58.00592	6.2
59.01104	7.1
59.01381	85.7
61.98831	7.3
69.83978	20.1
71.01382	61.3
71.52619	3.9
75.00867	8.4
83.01399	3.6
85.02965	13.6
87.00896	8.0
88.98787	8.7
89.02450	100.0
101.02441	31.0
113.02431	25.9
119.03511	44.9
123.04556	5.0
135.04523	4.2
143.03459	6.8
149.04521	8.1
155.46014	4.0
161.04561	14.4
161.76706	5.2
179.05643	60.5
183.06662	4.7
199.09918	4.9
206.36716	3.7
213.05583	16.8
240.04277	9.7
241.05075	61.7
255.06621	23.3
256.07431	46.2
270.08987	16.4
271.09720	64.6
272.09927	5.0
274.11163	3.7
301.10806	14.2
357.30875	4.2
403.11938	4.8
541.15369	17.8
541.32410	5.9
549.88116	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	540.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56482	7.0
58.02976	12.4
59.01383	18.4
71.01409	11.7
71.39976	6.0
71.51120	12.4
75.00885	8.0
108.92414	7.0
137.76457	7.7
147.04488	19.8
163.11288	10.2
164.07144	47.6
206.08217	100.0
207.35980	7.1
230.38194	8.7
347.11441	9.4
388.16602	10.9
540.17999	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	540.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34313	0.8
61.98823	1.2
69.29681	5.3
70.59200	0.7
71.01371	2.1
72.00909	12.0
78.95909	4.6
87.00883	2.1
96.96029	1.0
101.02432	1.4
111.00909	1.2
113.02462	1.0
121.02935	1.2
122.03732	0.8
134.04733	1.7
147.04524	39.4
148.04857	1.4
149.02444	8.8
150.03235	15.0
155.03604	1.1
159.34261	0.9
161.04555	2.9
162.03258	1.2
164.04829	6.2
164.07161	100.0
165.05566	42.8
165.07649	2.0
166.05911	1.3
180.04247	1.5
195.06625	18.6
219.84187	0.9
250.90686	0.9
327.10809	13.2
340.08878	0.8
357.11859	0.8
540.05200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80115	2.0
55.92432	2.0
59.01372	2.8
61.98829	100.0
69.38455	5.9
69.38857	15.8
76.97506	2.4
78.95906	2.5
80.58382	2.4
95.68443	2.4
113.98795	2.3
119.05026	4.0
120.44770	2.2
147.76640	2.1
163.04048	2.4
197.11829	2.9
211.13364	3.6
226.13284	2.4
229.72086	2.4
231.59860	2.1
238.54991	2.1
275.23831	2.4
289.63931	2.4
316.01123	2.4
387.55115	2.6
412.70752	2.7
560.05524	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39967	1.2
55.01875	1.8
57.03439	5.1
58.00583	2.7
59.01378	60.7
59.99054	1.4
61.98828	11.2
69.03436	1.7
71.01379	50.3
71.51510	1.6
72.99299	4.3
73.02958	14.4
75.00872	16.2
83.01384	7.6
83.05046	2.2
85.02951	20.1
87.00833	3.3
88.98808	3.7
89.02444	31.5
93.03454	6.4
95.01363	4.4
95.05025	4.1
96.96000	4.4
97.06582	1.4
99.00867	4.8
101.02441	29.9
107.01426	1.3
107.05029	1.4
108.02162	2.0
109.02917	3.8
111.00854	3.6
113.02457	18.4
113.06071	3.1
119.03481	10.7
119.04977	1.3
121.02958	8.2
122.03725	9.8
123.00852	3.3
123.04521	4.6
124.01649	1.4
125.02438	13.7
132.03021	3.1
133.03008	6.5
134.03748	36.0
135.04543	4.0
136.01675	1.7
137.02473	10.5
137.60602	1.5
139.00424	1.7
139.03998	4.4
143.03511	2.2
145.02940	2.1
149.02440	23.9
149.04358	1.5
149.06061	9.7
150.03226	73.1
151.00352	1.8
151.03784	2.2
152.01160	2.8
153.05624	1.9
159.02914	1.9
161.02484	3.2
161.04581	4.6
162.03229	12.1
163.03961	1.9
164.04790	4.8
165.01913	3.2
165.05565	72.6
166.06279	8.1
167.07054	1.4
168.00630	1.6
169.01407	10.6
177.05565	8.3
178.02686	21.0
179.03470	2.9
179.05609	3.9
180.04282	6.8
181.05002	3.6
181.08727	5.1
193.05048	58.0
193.06804	3.2
194.05365	3.0
195.06622	40.8
196.06960	1.7
197.04665	1.4
201.03963	6.3
205.42787	1.4
208.03717	2.1
209.04495	1.9
211.02518	3.2
241.07216	2.2
243.05042	2.1
271.04559	3.1
285.05978	2.2
314.11548	2.4
329.13873	7.5
343.13855	10.3
345.08292	6.4
363.14377	1.4
375.27167	1.3
377.16251	1.9
377.29065	21.5
387.16571	3.2
391.26852	2.1
439.09006	2.3
491.19217	70.8
492.19736	7.0
539.14209	30.4
539.21252	14.3
539.34320	100.0
540.14648	2.7
540.34760	6.6
555.28766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66611	0.5
55.01868	0.7
57.03452	4.6
58.00599	0.9
58.35657	0.5
59.01379	24.4
60.99303	0.7
61.98836	6.3
62.10899	0.5
67.01885	0.9
69.03458	2.6
69.28312	4.1
69.28721	1.5
71.01387	8.1
72.99300	1.8
73.02943	8.3
76.64946	0.6
77.78026	0.6
78.25104	0.6
78.95909	1.1
79.60280	0.5
81.03458	2.0
83.01382	3.5
83.05001	0.6
85.02965	4.2
87.00890	2.4
87.04510	0.8
88.98817	3.0
89.02439	6.9
91.97574	0.7
93.03502	0.8
93.07130	0.6
95.01366	1.5
95.05041	2.5
97.02944	6.0
101.02453	14.1
103.04008	7.0
107.01399	2.4
108.02141	4.4
109.02960	13.9
111.00829	0.8
113.02448	1.5
115.04019	1.2
119.03493	2.8
121.02956	2.2
122.03738	0.8
123.00890	2.8
123.04520	8.6
124.01658	1.5
125.02448	83.1
126.02815	2.5
126.53261	0.6
127.03970	0.6
131.03535	1.7
135.04524	2.0
135.08162	1.4
137.02443	9.6
139.03038	0.6
139.04024	2.3
140.01128	1.2
143.03503	2.4
145.02957	4.3
145.05095	2.1
146.03691	0.9
149.02428	3.6
150.03273	0.9
151.00357	1.2
151.03989	8.0
152.01125	3.2
152.99532	1.3
153.01891	1.3
159.04556	3.4
160.05255	0.7
161.02425	1.8
161.04869	0.7
161.06081	4.7
162.03207	0.7
163.03952	1.7
163.06122	23.9
164.01143	2.3
165.01941	3.7
165.05600	0.7
166.99821	1.6
167.03465	1.5
168.00597	2.1
169.01419	100.0
170.01773	2.8
175.04013	1.8
175.07617	1.5
179.03508	4.1
179.07069	3.6
183.04535	0.6
183.13977	0.9
185.06091	2.2
187.04059	3.4
188.04730	2.6
191.07166	2.0
193.01390	4.6
201.05623	1.1
202.06337	0.7
203.07127	9.0
205.05031	6.0
205.07166	4.9
211.13374	7.8
219.06622	0.8
220.30554	0.6
221.08231	1.5
223.09781	2.0
227.07112	2.5
230.05827	0.7
231.02968	1.2
235.09702	2.9
243.06638	0.8
245.08167	12.0
246.08408	0.9
247.06055	1.0
253.05286	0.9
253.09268	0.6
265.09265	1.3
271.06097	6.3
289.07178	40.1
290.07581	2.3
299.12863	1.4
303.05219	0.9
307.09885	0.9
325.10855	1.0
343.11887	5.8
344.12265	0.9
369.13388	6.0
387.14468	51.2
388.14731	4.2
441.08182	4.2
442.08432	0.8
447.22681	0.7
484.84656	0.6
495.13120	0.7
539.15326	5.3
539.21350	7.1
539.33594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03397	0.4
59.01376	4.5
60.99290	0.6
61.98842	1.7
65.00353	0.4
67.01885	0.6
69.03443	0.7
69.69745	1.0
69.70154	0.9
71.01376	4.3
72.99292	0.6
73.02939	1.4
76.31676	0.4
79.01861	0.9
83.01385	1.3
85.02939	2.1
88.98792	2.1
89.02441	2.1
95.01387	2.1
97.02944	0.7
97.06580	0.3
99.00868	1.7
101.02417	2.5
101.60848	0.3
103.54543	0.3
107.01386	4.0
108.02142	0.4
109.02939	0.8
111.00887	2.5
111.77151	0.4
113.02431	1.4
115.67387	0.4
117.26300	0.4
119.03479	0.5
123.00887	12.2
123.04520	0.6
124.01645	1.0
125.02441	13.9
126.02765	0.5
127.00353	0.4
127.82896	0.3
136.98770	1.2
137.02402	0.8
139.00359	4.9
140.01181	2.6
141.01886	1.3
149.04539	0.6
150.99179	0.7
151.00362	9.6
153.01892	1.2
154.99939	0.4
163.04024	0.6
165.01881	0.4
167.03510	0.7
168.00609	3.8
169.01414	19.6
170.01698	0.8
181.04965	0.4
191.05515	0.7
211.02496	4.9
271.04559	6.4
313.05649	1.5
503.24890	2.1
539.21307	100.0
540.13574	0.6
540.21649	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01376	5.7
60.99311	5.7
61.98838	3.2
62.88432	0.4
67.01894	0.8
68.99811	0.6
70.21780	0.9
70.22178	0.7
71.01383	4.6
72.99290	0.7
73.02937	1.0
75.00866	1.4
76.78077	0.4
79.01915	0.7
83.01385	1.6
85.02953	1.7
87.00856	0.9
88.04041	1.2
88.98804	28.8
89.02447	1.7
91.86679	0.4
95.01408	1.4
96.96002	2.8
97.02908	0.7
99.00883	0.9
101.02452	3.2
107.01379	3.8
107.05039	1.1
108.02158	0.7
109.02965	1.0
111.00885	1.8
112.92036	0.5
113.02459	1.6
119.03445	0.8
122.03751	1.8
123.00886	13.5
123.04519	0.8
124.01660	1.6
125.02449	17.5
127.00378	0.6
132.03072	2.2
135.04538	2.9
136.98831	1.0
137.02422	1.2
138.06845	0.8
139.00362	6.5
140.01181	2.7
141.01918	1.8
151.00368	10.8
151.03958	1.2
152.01053	0.7
153.01918	1.1
153.09206	1.4
161.02440	0.5
163.03963	0.8
163.06277	0.5
165.01965	0.5
165.05528	0.6
167.03526	0.7
167.07126	20.5
168.00658	3.1
168.07393	0.8
169.01416	23.1
170.01727	0.7
174.68008	0.4
177.01866	0.5
179.03502	0.9
182.09584	0.4
211.02493	2.7
225.14912	0.5
244.45505	0.6
271.04675	2.4
289.81723	0.4
313.05582	1.6
344.26404	0.5
377.16214	0.9
377.29135	0.6
449.10864	0.9
495.18173	0.5
539.21338	100.0
539.34650	3.8
540.21796	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	539.2131
Annotation	Erizomycin
Peak:m/z	Relative Intensity
51.49411	0.4
51.88544	0.4
56.51822	0.5
56.61786	0.4
57.03427	0.7
57.99598	0.4
59.01373	5.0
60.99297	4.2
61.98837	3.1
67.01875	0.8
69.03455	0.5
69.48031	2.0
69.48458	1.3
71.01381	4.7
72.99291	0.9
73.02947	1.3
75.00890	1.3
79.01882	0.9
81.03446	0.5
83.01391	1.4
85.02946	1.8
87.00848	0.5
88.04033	1.0
88.98804	26.4
89.02450	2.2
95.01373	1.7
96.95998	4.0
97.02953	0.8
99.00905	1.0
101.02446	2.5
107.01385	3.1
107.05004	0.9
109.02916	0.5
111.00890	2.3
113.02440	1.6
114.70129	0.4
119.03521	0.7
121.03020	0.5
122.03715	2.6
123.00880	12.1
123.04511	1.0
124.01680	1.0
124.96594	0.4
125.01517	1.0
125.02440	18.1
127.00356	0.6
132.02997	2.5
135.04503	3.2
136.98801	1.4
137.02428	1.7
138.06787	0.7
139.00345	4.6
140.01189	3.0
141.01942	1.3
149.05882	0.4
151.00372	10.0
151.04042	1.0
153.01939	1.3
153.09175	1.9
153.10320	0.5
154.02699	0.8
158.02483	0.4
161.02394	0.6
163.03905	0.8
163.06088	0.9
165.05548	1.3
167.07123	28.9
168.00629	3.4
168.07462	0.9
169.01414	22.0
170.01779	0.6
173.72575	0.4
179.03577	0.8
193.05054	0.5
194.06003	0.5
209.08096	1.0
211.02496	2.6
225.14972	0.8
271.04498	2.5
313.05655	1.8
377.16003	1.5
449.11063	1.0
491.19266	1.1
539.21326	100.0
539.34619	3.4
540.14429	0.7
540.21722	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	539.2126
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01873	0.3
55.74230	0.2
57.03429	0.4
59.01383	3.9
61.98825	1.4
63.35817	0.3
64.54681	0.3
65.00312	0.3
65.28061	0.3
67.01874	0.9
68.99794	0.3
69.03441	0.3
71.01376	2.9
71.52132	0.3
72.99301	0.6
73.02940	0.7
79.01893	1.1
83.01381	1.1
85.02937	2.0
87.00887	0.5
88.98811	2.1
89.02451	1.6
95.01413	1.7
97.02956	0.6
99.00898	1.3
101.02431	2.6
105.01925	0.3
107.01379	2.7
107.05025	0.3
108.02193	0.3
109.02973	0.7
111.00894	2.1
113.02445	1.6
123.00887	11.0
123.04499	0.7
124.01676	0.6
125.02445	14.0
126.02766	0.3
127.00396	0.6
129.15366	0.2
136.98845	1.2
137.02435	0.6
139.00366	4.9
140.01158	3.2
141.01958	1.3
149.04527	0.8
150.99190	0.5
151.00363	9.9
151.04001	0.6
152.00972	0.6
153.01920	0.7
154.99779	0.3
163.04041	0.3
167.03436	0.7
168.00635	3.7
169.01419	20.3
170.01750	0.6
177.01881	0.4
179.03575	0.4
191.05592	0.5
197.55280	0.3
200.34785	0.3
211.02473	3.7
217.03343	0.4
222.59457	0.3
248.45383	0.3
253.03656	0.3
271.04593	5.0
272.05148	0.3
313.05719	1.6
340.44153	0.3
425.68588	0.3
479.25723	0.3
503.25110	0.9
538.33008	0.5
539.21313	100.0
540.21710	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.9
59.01379	25.6
61.98828	2.0
69.03462	1.4
69.47993	2.0
69.48398	4.5
71.01393	1.3
81.03448	4.3
83.01386	8.0
83.05054	1.0
89.02431	1.2
91.01887	1.2
93.03455	2.7
95.05013	2.4
97.02956	5.3
98.19958	1.9
108.02171	3.4
109.02952	25.9
111.00912	2.2
114.90308	0.9
117.03396	1.3
121.02953	3.5
123.00865	0.9
123.04529	12.6
124.01658	1.3
125.02448	71.1
126.02811	1.4
131.04993	1.2
135.04518	2.6
137.02443	36.5
138.02762	1.0
139.03999	3.3
145.02974	14.8
146.03703	3.0
149.02411	5.7
150.03169	1.6
151.04013	11.5
152.01143	1.5
159.04512	8.0
160.05299	1.9
161.02444	3.1
161.06093	8.4
162.03204	2.3
163.03972	2.9
163.70790	1.0
164.01180	2.6
165.01892	6.4
167.03429	2.6
169.01366	2.0
171.13924	1.3
174.03146	1.8
175.03976	2.6
175.07652	2.2
179.03503	5.6
183.04289	1.0
185.06029	5.5
187.03998	7.8
188.04735	3.6
199.07645	1.2
201.05539	4.0
202.06422	1.0
203.05420	1.6
203.07153	18.3
205.05022	7.0
209.06061	2.4
211.04034	1.9
221.08142	2.5
223.13387	24.0
227.07054	5.1
229.05060	1.6
230.05940	1.0
243.06490	5.4
244.07104	5.5
245.08224	19.9
246.08540	1.2
249.11221	1.1
253.05058	7.3
267.12335	18.5
271.06113	30.6
272.06448	2.5
289.07178	100.0
290.07635	6.3
349.18698	1.0
387.14188	1.0
389.16388	1.9
391.19315	1.3
401.15918	5.4
402.16019	1.2
433.20383	1.9
435.18085	1.8
477.19421	1.2
495.20328	5.9
539.18628	14.8
550.59106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55516	1.8
57.03448	13.6
59.01381	66.1
61.98833	23.9
64.23840	1.5
69.03469	3.0
71.01379	1.9
71.52208	2.7
74.06061	1.7
81.03480	4.1
83.01376	10.9
83.05009	4.9
87.00892	3.8
88.98789	2.4
93.03457	2.9
95.01379	2.4
95.05055	2.6
96.96021	2.3
97.02949	4.6
97.83720	2.0
102.12735	1.7
103.04031	3.5
105.03478	1.7
109.02956	27.2
111.00871	3.7
112.89178	1.5
121.02936	3.4
122.03716	4.2
123.00892	4.0
123.04528	18.4
124.01653	7.7
125.02449	100.0
135.04520	5.6
137.01462	3.2
137.02455	47.3
140.94157	1.5
145.02950	19.7
146.03793	2.0
149.02435	8.7
149.99567	5.0
151.00256	3.0
151.04027	14.7
159.04509	9.4
160.05292	2.3
161.02437	5.2
161.06076	13.1
161.13336	2.8
162.03195	2.1
163.03998	2.5
164.01149	1.9
165.01909	8.2
168.00633	10.6
169.01398	5.6
173.06050	2.7
175.03981	2.8
175.07607	2.1
177.02023	1.7
179.03523	6.0
182.95711	1.6
183.04524	2.1
184.32875	1.7
185.06042	5.1
185.90373	1.8
187.03996	7.4
187.11264	2.8
188.04810	3.4
201.05518	11.4
202.06311	3.0
203.07127	20.6
205.05051	5.9
219.06667	3.8
221.08322	2.2
223.13385	42.9
224.13672	2.0
227.07074	8.3
229.05107	4.1
230.02103	2.4
230.05753	2.5
245.08180	23.5
253.05064	12.0
257.17404	2.1
262.14841	1.7
267.12366	62.3
268.12686	4.0
271.06155	43.4
289.07187	76.4
290.07535	3.2
311.13071	2.0
317.13800	4.1
389.16162	3.3
401.16061	14.4
407.18674	4.1
433.20276	6.0
435.18073	6.5
477.19275	2.1
495.20255	15.4
524.99060	1.8
539.19965	40.7
540.21021	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	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98115	0.8
59.01381	45.5
61.98826	1.3
69.80076	3.6
71.01082	0.7
71.01388	9.6
72.99297	0.8
75.00850	1.1
83.01379	1.3
85.02935	2.4
89.02444	11.9
95.01385	1.8
98.19925	0.7
101.02439	8.9
107.01357	2.9
108.02174	0.9
113.02444	4.6
115.21448	0.7
119.03511	4.5
121.24794	0.7
123.00883	3.8
124.01646	1.6
125.01564	0.9
125.02443	12.7
135.04474	2.3
136.98827	0.9
137.02466	0.8
139.00348	2.3
140.01086	1.2
151.00320	2.8
157.85939	0.8
163.11287	40.4
164.11551	2.5
167.03436	0.9
168.00592	3.1
169.01422	13.8
211.02469	11.0
271.04608	9.7
370.11368	0.7
387.16595	56.1
388.16980	5.2
479.15421	3.2
521.16309	3.7
539.17554	100.0
540.17944	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	539.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
59.01386	1.4
61.98828	32.6
66.07384	0.5
67.01894	0.6
69.03455	1.1
69.31363	2.7
69.31789	1.3
70.80719	0.4
71.01382	0.9
73.02936	0.6
79.01921	0.4
81.03458	1.5
83.01395	2.8
88.98838	0.5
89.02456	1.2
93.03455	1.4
95.01399	0.9
95.05052	2.5
97.02950	5.3
99.00878	1.0
107.01399	2.0
108.02209	0.6
109.02952	14.2
111.00894	0.6
119.05077	0.4
121.02972	2.3
122.03680	0.7
122.41232	0.6
123.00920	1.3
123.04523	8.0
124.01689	1.2
125.02445	76.9
126.02812	1.7
135.04536	1.4
135.08162	1.4
137.02428	9.0
137.06070	0.9
139.00418	0.9
139.04012	2.9
145.02950	4.2
146.03732	1.0
147.04518	0.5
149.02432	3.6
149.04520	0.8
150.03210	0.9
151.03996	6.2
159.04489	2.4
160.05289	0.5
161.02467	1.1
161.06087	4.6
162.03239	1.3
163.03996	0.8
164.01154	1.7
165.01953	2.6
165.05637	0.5
166.99884	2.0
167.03453	1.1
168.00623	1.3
169.01419	100.0
170.01782	1.7
173.06042	0.9
175.03995	1.5
175.07697	1.3
177.05617	0.6
179.03497	3.8
179.07108	3.5
184.63483	0.5
185.06076	1.5
187.03961	4.2
188.04799	2.2
189.05508	0.5
191.07254	2.5
193.01433	5.0
199.03920	0.6
199.07631	0.5
201.05627	0.9
202.06348	1.5
203.03496	0.5
203.07123	9.7
205.01421	0.8
205.05052	8.1
206.05545	0.5
219.06593	1.0
221.08125	1.7
223.09781	1.5
227.07085	2.0
229.04944	0.7
231.02994	1.9
235.09746	1.8
239.80167	0.5
241.04980	0.5
245.08173	11.6
246.08528	0.5
247.06123	1.2
251.07085	0.5
253.04982	0.5
256.03961	0.5
259.06174	1.2
263.09256	0.6
271.06097	5.1
275.05750	0.9
289.07166	43.8
290.07516	2.1
299.12878	1.5
303.05078	1.6
317.13959	0.6
325.10782	1.1
331.04636	0.9
342.43121	0.4
343.11823	5.6
343.15497	0.8
369.13364	5.4
387.14468	52.0
388.14771	4.1
389.12399	0.5
429.11945	0.7
441.08224	4.9
495.12558	0.8
539.15436	5.7
539.22833	0.7
540.15833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.7
60.99305	16.3
65.00325	1.0
69.49696	4.0
69.50034	0.7
70.42228	0.5
73.32403	0.5
88.98804	100.0
89.99134	1.1
92.08857	0.5
96.22461	0.5
98.20612	1.2
107.01432	0.8
125.02453	1.0
151.00391	4.3
151.03976	1.1
152.01135	1.0
175.03920	0.7
178.99826	0.9
233.06642	0.6
285.04068	2.4
300.07391	0.7
303.05142	1.0
312.09888	0.6
380.45004	0.7
449.10791	2.2
459.67929	0.5
464.27441	0.6
511.60852	0.6
539.20764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42759	0.7
60.99305	16.6
69.06064	0.7
70.82038	1.5
75.93338	0.7
82.67740	0.7
88.98804	100.0
108.07834	0.8
125.02481	0.9
151.00391	3.6
210.23788	0.7
253.91634	0.8
257.49509	0.9
285.04044	1.7
326.08249	0.8
335.84128	0.7
348.99976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
58.00571	0.5
59.01379	20.6
61.98828	4.7
63.82940	0.6
67.01874	0.9
69.03454	1.8
69.34866	5.5
71.01379	8.1
72.99299	1.3
73.02943	6.5
75.10503	0.6
75.60419	0.6
78.95897	0.9
79.01898	0.9
81.03450	2.5
83.01380	2.9
84.55219	0.6
85.02943	3.0
87.00879	1.8
87.04551	0.9
88.98799	3.4
89.02451	6.8
93.03460	1.3
95.01379	1.4
95.05027	2.0
97.02957	4.2
101.02440	11.9
103.04015	5.7
107.01387	1.7
108.02163	2.4
109.02951	14.4
113.02463	0.8
114.81743	0.7
115.04043	1.6
119.03506	3.2
121.02946	2.5
122.03754	1.0
123.00884	2.4
123.04511	8.2
124.01692	1.2
124.04800	0.8
125.02446	75.3
126.02747	1.5
127.04047	0.9
131.03497	1.2
132.41290	0.6
135.04538	1.8
135.08156	1.2
137.02438	9.6
138.03221	0.8
138.18364	0.6
139.00426	0.9
139.04013	2.3
143.03496	2.1
145.02930	4.1
145.04977	1.7
146.03708	1.4
149.02455	3.1
151.00443	1.0
151.03998	6.2
152.01198	1.3
152.99551	1.4
153.01955	1.0
159.04539	2.5
161.02444	1.2
161.06078	3.8
162.03214	1.1
163.04033	1.0
163.06123	19.3
163.07391	0.8
164.01181	1.8
164.06355	0.6
165.01950	3.4
166.99837	2.0
167.03476	1.6
168.00633	1.8
169.01421	100.0
170.01781	1.9
175.03981	2.1
175.07600	1.3
177.05534	0.8
179.03517	2.9
179.07100	4.3
183.13902	1.0
185.06027	1.4
187.04016	3.6
188.04767	1.8
189.05563	1.1
191.07138	2.0
193.01369	3.3
201.05551	1.0
202.06238	1.0
203.07170	8.0
205.01350	1.0
205.05052	5.5
205.07144	4.1
211.13387	6.4
219.06491	1.0
221.08153	1.6
223.09772	1.7
223.13304	1.1
227.07182	1.4
230.05997	0.9
231.02896	1.4
235.09641	1.4
241.01242	0.9
245.08174	12.4
246.08488	0.8
247.06090	1.1
259.06131	1.0
265.09262	1.4
271.06100	5.4
275.05594	0.8
289.07175	39.9
290.07620	3.0
299.12866	1.5
303.05084	2.0
325.10910	1.4
331.04575	0.9
343.11966	5.6
369.13419	6.5
387.14471	47.5
388.15005	3.8
389.12051	0.8
411.09720	0.7
422.99988	0.7
437.89761	0.6
441.08209	5.4
495.12872	1.5
539.15405	4.4
539.22687	7.0
553.56720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87079	7.2
59.01366	33.6
61.98826	63.3
64.97159	8.3
71.01372	22.2
71.52018	14.1
71.78323	7.1
73.02943	10.1
78.95900	39.9
83.01414	8.3
85.02917	8.3
89.02464	8.1
93.03460	14.4
95.01394	9.7
101.02466	10.5
109.02976	11.7
122.03699	8.9
123.00860	26.0
123.04509	16.7
125.02446	36.9
137.02470	44.1
139.00349	8.6
142.64061	8.0
150.03210	9.8
152.99547	41.6
165.01892	22.1
165.55063	7.8
166.99844	29.6
168.00620	42.4
169.01398	24.3
197.11781	15.3
219.82599	8.1
220.29276	7.1
244.17912	7.3
271.06210	9.5
284.22028	7.2
288.06433	14.8
289.06549	7.4
291.19608	21.7
309.20862	11.4
440.07367	18.0
487.13898	18.3
537.14142	11.5
537.24695	100.0
538.25836	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	538.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98072	0.3
57.03439	0.5
59.01384	1.2
61.98829	100.0
69.03426	0.4
69.38219	1.8
69.38643	0.6
71.01373	0.6
73.02935	0.3
83.01395	0.7
88.98811	0.3
89.02436	0.5
93.03452	2.3
94.03798	0.6
95.01372	0.3
95.05061	0.7
97.02958	1.0
99.00912	0.4
107.01367	0.6
108.02189	0.3
109.02950	2.9
113.02429	0.4
121.02963	0.6
123.00930	0.5
123.04520	1.9
125.02444	16.4
135.04565	0.6
137.02446	4.3
138.02820	1.0
139.02914	0.5
139.03979	0.5
145.02972	0.9
149.02451	0.8
151.00319	0.5
151.04039	1.7
159.04442	0.7
161.02461	0.5
161.06116	0.7
164.01091	0.4
165.01910	0.6
166.99913	0.4
168.00720	0.3
169.01419	21.2
175.04041	0.4
175.07608	0.3
179.03496	0.8
179.07169	1.1
185.06152	0.4
187.04005	0.8
188.04803	0.6
191.07208	0.7
193.01407	1.0
203.07144	2.7
205.05064	1.4
221.08238	0.6
223.09804	0.5
227.07263	0.5
231.03180	0.3
235.09766	0.7
241.08649	0.4
245.08234	3.0
247.06241	0.3
259.06149	0.5
271.06091	1.4
289.07153	9.2
296.76218	0.3
343.11838	1.8
369.13135	0.7
387.14456	10.4
405.56860	0.4
417.39206	0.3
433.12262	0.5
434.12613	0.6
441.08246	1.1
538.13965	0.6
539.15356	1.6
539.23505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.5
59.01375	6.3
61.98831	4.6
69.03428	0.4
71.01385	4.9
71.51115	0.4
72.99274	1.0
73.02920	0.5
75.00871	3.8
79.01917	0.4
83.01352	0.4
85.02948	1.6
85.35553	0.3
87.00895	0.6
88.98768	0.6
89.02448	2.0
95.01373	0.7
97.02934	0.6
97.06570	0.5
99.00837	0.7
101.02446	2.6
107.01385	3.5
108.02122	0.4
109.02940	0.7
111.00889	1.7
113.02428	1.5
119.03447	0.6
121.02956	0.4
121.73673	0.3
123.00858	3.2
123.04429	0.4
124.01581	1.8
125.02448	21.2
126.02752	0.8
127.00355	1.0
136.98788	1.2
137.02411	0.6
139.00409	2.5
139.03955	0.7
139.39812	0.3
140.01166	3.0
149.02451	0.6
151.00386	2.0
151.03999	0.5
151.07986	0.4
153.01826	0.5
154.99817	0.4
161.02408	0.7
165.01900	1.0
167.03442	1.4
168.00638	10.7
169.01421	30.5
170.01720	1.2
177.04024	1.0
211.02470	51.1
212.02840	2.0
227.07228	0.8
228.07468	1.2
229.07765	0.9
241.03549	0.9
271.04581	100.0
272.04938	4.6
299.36456	0.4
313.05792	0.8
331.06705	22.7
332.07108	1.3
375.14243	0.8
375.27475	0.5
381.93060	0.4
389.25449	0.7
407.23016	0.4
493.16937	2.1
537.20123	11.9
537.32855	9.0
538.20331	1.3
538.33344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.4
59.01380	4.4
61.98819	1.4
65.00325	0.7
66.84776	0.2
68.99560	1.3
69.03446	0.3
69.17104	0.5
69.17510	1.6
71.01384	3.2
75.00848	0.2
77.13545	0.2
79.01874	0.5
80.02680	0.2
81.03459	0.7
87.00868	0.2
89.01929	0.4
89.02447	5.0
91.01896	14.2
91.82082	0.3
92.02220	0.2
95.01384	1.1
97.02956	0.6
98.19941	0.5
99.00841	0.2
101.02434	0.7
107.01411	2.2
107.05020	0.5
108.02171	18.1
108.76241	0.2
109.02975	5.7
111.00897	0.2
112.98599	1.4
113.02456	0.3
116.42095	0.2
121.02952	0.9
123.00883	5.9
123.04506	0.3
124.01637	0.9
125.02435	1.1
131.03484	0.3
135.00885	13.8
136.01390	0.4
137.01459	0.3
137.02441	3.1
149.02443	0.5
149.04523	0.2
151.00371	1.5
151.03897	0.2
152.01147	17.7
153.01941	6.0
165.01961	0.5
166.99908	0.3
167.03357	0.3
169.01393	0.6
169.06635	0.3
177.01923	0.7
179.00252	0.2
195.02916	0.3
197.06071	1.5
199.07718	0.6
201.01973	0.2
213.05478	1.3
215.07074	0.9
241.05029	0.4
242.05896	2.1
243.06604	100.0
244.06955	5.2
285.07739	0.3
297.06085	2.3
385.12921	0.2
387.10623	0.4
405.11932	9.8
406.12155	0.6
429.10471	0.9
537.16101	29.6
538.16467	3.7
546.44580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60334	0.9
55.01873	1.5
57.03464	1.2
59.01380	12.9
60.99288	1.9
61.79008	0.9
61.98817	6.6
64.34006	0.9
67.33150	1.0
68.99802	1.0
69.03455	32.3
69.25455	9.7
71.01379	17.4
72.99281	1.8
73.02953	5.5
73.69749	1.1
75.00881	1.3
79.01888	20.3
81.03458	2.6
81.42909	1.1
83.01381	4.5
85.02946	9.6
87.00857	0.9
88.98813	19.7
89.02435	10.8
91.93379	0.9
93.03454	4.0
95.01385	9.6
96.00902	1.1
97.02946	18.7
98.02525	0.9
98.20694	2.4
99.00879	14.2
101.02444	10.9
107.01387	45.4
108.02174	27.0
109.02953	33.8
111.00931	1.0
113.02448	11.5
117.03423	1.2
119.05022	1.4
121.02955	19.9
123.00890	10.1
123.04496	3.0
125.02451	28.7
131.03496	1.9
133.02953	2.2
134.03764	1.9
135.00883	10.8
135.04486	3.0
136.01607	1.0
137.02444	26.4
143.03525	2.5
145.02960	6.5
146.03729	1.4
147.04433	1.2
149.02432	4.0
149.04500	1.8
150.99191	2.2
151.00378	38.0
151.03955	2.2
152.01161	8.7
153.01939	47.7
154.02220	2.2
161.02417	4.1
161.04556	3.3
162.03241	2.4
163.03990	12.9
164.04802	1.0
165.01875	1.2
165.05551	1.1
166.06322	1.6
167.03496	3.4
169.01385	2.3
169.06566	3.2
175.03961	1.6
176.01118	1.1
177.01936	11.4
178.99945	1.2
179.03479	2.0
180.06792	1.2
185.06306	1.1
189.01945	3.1
191.03508	2.5
191.05504	1.9
195.02901	1.6
197.06068	24.6
198.06657	1.1
200.08241	1.1
205.01372	1.1
207.02948	5.0
209.04442	2.4
213.05586	5.3
215.07130	3.1
215.12874	1.5
219.02991	2.6
237.03996	1.6
242.05840	33.0
242.09489	3.0
243.02931	1.6
243.06601	38.4
244.06885	2.8
255.02972	3.0
260.10349	3.2
267.06592	2.3
271.02368	3.0
277.08359	1.6
279.05060	2.0
285.07724	3.1
297.06070	18.4
300.02789	7.5
301.03500	4.7
313.70715	1.0
375.27460	1.7
387.10812	4.0
405.11963	12.9
429.10358	100.0
430.10580	7.5
447.09332	16.2
522.85706	1.0
537.16302	7.0
537.32672	10.9
538.19092	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1608
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
59.01104	1.0
59.01378	9.7
61.98821	0.7
62.23318	0.5
63.97936	0.5
65.00325	0.8
69.03464	1.7
69.81107	1.3
69.81519	2.0
71.01377	6.5
73.02929	1.0
79.01901	0.9
81.03461	1.2
82.73454	0.5
88.98788	0.7
89.02441	8.0
91.01894	16.9
95.01391	1.8
97.02953	0.7
101.02411	1.2
106.44469	0.6
107.01382	3.1
107.05058	1.3
108.02170	22.1
109.02966	6.0
121.02946	1.7
123.00902	8.0
124.01643	1.8
125.02480	3.5
125.34415	0.6
126.97260	0.5
131.03548	0.6
133.91315	0.5
135.00883	19.7
136.01527	0.7
137.02449	7.0
139.00343	0.8
147.04634	0.6
149.02448	1.9
150.03244	1.0
151.00342	1.6
152.01149	22.0
153.01624	1.6
163.03964	0.7
165.01886	2.4
166.99834	1.4
167.03468	0.7
168.00626	1.8
169.01411	1.5
172.61510	0.5
177.02011	1.3
196.99655	0.5
197.06119	1.7
213.05547	1.6
215.07094	1.0
229.16515	0.5
241.05048	0.7
242.05826	3.6
243.06604	100.0
244.06950	5.3
270.69165	0.6
275.25992	0.5
288.06274	1.3
385.12964	1.3
387.11035	1.1
405.11954	14.4
406.12238	1.4
429.10385	2.4
537.16095	69.3
538.16486	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	537.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91748	0.6
55.01879	0.7
59.01378	3.5
61.98829	1.3
62.49228	0.6
65.00325	1.2
65.03957	6.4
67.01896	3.3
69.24372	4.7
71.01384	5.5
72.99297	1.1
73.02955	1.8
74.76550	0.4
81.03451	0.6
83.01397	1.3
85.02947	4.3
86.16286	0.5
87.00875	0.8
87.49786	0.5
89.02454	2.1
91.01894	39.4
93.03468	1.7
95.01373	1.0
97.02949	0.7
98.20670	0.9
99.00885	1.9
101.02458	2.1
108.02170	1.1
109.02950	89.0
110.03304	1.9
113.02464	4.9
119.05007	0.6
121.02945	6.5
123.04505	3.0
125.02448	5.0
133.02954	1.3
135.00883	80.8
136.01236	2.0
137.02438	9.0
139.00433	0.8
143.03493	1.0
145.91853	0.5
147.04526	2.1
148.01671	2.7
149.02431	1.8
149.05949	1.1
151.03975	1.3
152.01225	0.7
153.01933	69.2
154.02274	1.7
159.04494	1.0
161.02493	1.4
161.04663	0.9
161.06081	1.5
163.04028	2.3
165.01921	1.9
165.05597	1.4
167.03545	1.6
168.00636	1.0
169.05154	0.5
175.04008	2.6
177.01959	1.4
177.05560	1.9
179.03520	0.7
187.04044	2.4
189.01903	0.7
190.02698	0.9
191.03531	0.6
193.05002	0.7
203.07086	0.7
205.05034	4.5
223.06099	0.8
243.06554	3.1
245.08200	0.6
289.07257	0.7
297.06244	1.2
375.27341	1.0
409.68036	0.6
429.10342	100.0
430.10693	7.6
431.11682	0.8
536.31305	0.7
537.12445	0.7
537.32483	5.1
538.33307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3122
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01869	0.7
57.03440	3.0
58.00590	0.8
59.01377	14.0
61.98830	10.7
70.64804	0.7
71.01380	9.7
71.88659	0.4
72.99293	1.1
73.02952	2.0
75.00865	0.9
83.01375	1.4
85.02946	3.3
85.06613	0.4
87.00865	0.6
88.98806	1.1
89.01930	0.6
89.02439	7.3
90.85580	0.3
92.60470	0.4
95.01380	1.1
99.00864	0.6
100.93236	0.3
101.02435	6.5
108.02171	0.7
109.02937	1.0
113.02451	4.2
119.03474	1.9
121.02937	1.2
123.00851	0.5
123.04490	0.9
124.17469	0.4
125.02441	1.7
127.03915	0.4
129.60193	0.3
134.03763	0.5
135.04485	0.7
136.01636	0.4
137.02422	1.1
138.02728	0.4
139.03951	0.3
143.03494	0.5
143.10736	0.6
145.08621	0.4
149.02386	0.5
150.03194	0.9
151.00342	0.6
151.03995	1.4
152.01149	0.7
159.04550	0.4
160.01569	0.6
161.02386	0.4
161.04611	0.5
165.05489	0.4
166.05037	0.8
167.03481	0.7
169.01384	0.8
175.04016	0.4
193.04990	0.5
197.15434	1.0
209.04541	0.5
227.07114	1.0
237.07773	0.5
239.07005	0.6
240.10173	0.4
243.35318	0.4
253.08846	0.4
255.15970	0.8
267.06619	1.3
280.07391	0.7
281.08115	1.3
289.07169	0.5
295.09705	1.2
325.23810	1.8
329.13837	0.4
340.09332	2.9
343.24857	0.8
355.11862	6.0
355.24905	8.0
356.12271	0.8
356.25339	0.6
371.11404	0.5
373.13095	1.1
373.25922	5.4
387.23898	0.8
505.30078	3.2
506.29630	0.4
517.30450	0.8
535.31201	100.0
536.31512	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.3
58.44664	8.4
59.01379	35.8
60.35403	7.5
67.58735	7.3
69.80235	22.1
69.80648	24.5
71.01381	24.5
73.55463	8.5
75.00880	28.3
79.93313	10.3
85.02959	33.8
87.00874	11.1
89.02463	10.8
98.20599	10.8
101.02431	11.4
109.02888	8.8
113.02434	18.5
115.24826	8.2
125.02480	17.9
135.04544	9.8
191.07230	10.2
230.48491	10.2
234.38853	9.8
250.90436	9.2
254.32303	9.7
255.02988	18.5
267.07068	9.9
283.02457	20.4
327.12366	38.0
447.14081	41.0
537.22046	100.0
537.29376	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	535.3124
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01877	0.6
57.03463	1.6
58.00583	0.6
59.01107	0.5
59.01381	8.1
60.61784	0.3
60.93892	0.3
61.40071	0.4
61.98827	5.1
66.14499	0.3
69.03426	0.4
69.37486	2.2
71.01382	6.8
71.05026	0.7
72.99309	0.7
73.02942	2.5
75.00849	0.5
81.03445	0.4
83.01381	1.0
85.02940	3.5
87.00890	0.4
88.04038	0.9
89.02437	3.1
89.06078	0.4
93.03453	0.5
95.01376	0.9
96.95974	0.3
97.06581	1.3
99.00860	0.9
101.02437	4.2
107.01426	0.3
108.02165	2.9
109.02948	1.4
111.00861	0.5
113.02446	2.2
113.09702	1.3
115.07629	0.7
116.92838	0.7
119.03502	0.7
119.05058	0.4
121.02982	0.5
125.02440	1.1
129.14133	0.3
132.02173	0.4
132.03035	2.0
134.03688	0.4
137.02449	1.2
139.07640	0.5
152.01152	1.9
153.01897	1.2
155.10678	0.3
157.08684	1.5
160.01680	0.5
161.06166	0.3
167.03468	0.5
175.01881	0.3
175.03896	0.7
179.03545	0.5
193.05049	0.4
200.04691	0.3
204.54665	0.4
225.07658	0.9
255.16003	0.5
295.22885	0.4
307.22922	0.5
313.23715	0.5
315.07376	0.6
325.23752	1.6
327.25317	0.7
337.23911	0.6
339.25323	0.8
343.24857	8.6
344.25385	0.5
355.24887	7.2
356.25345	0.8
357.26425	5.9
370.13895	0.4
373.25909	22.6
374.26483	0.7
505.16614	0.3
505.30249	0.9
517.30139	1.0
535.14020	2.7
535.31232	100.0
536.31549	8.5
563.09583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03440	3.0
58.00590	0.8
59.01377	14.0
61.98830	10.7
70.64804	0.7
71.01380	9.7
71.88659	0.4
72.99293	1.1
73.02952	2.0
75.00865	0.9
83.01375	1.4
85.02946	3.3
85.06613	0.4
87.00865	0.6
88.98806	1.1
89.01930	0.6
89.02439	7.3
90.85580	0.3
92.60470	0.4
95.01380	1.1
99.00864	0.6
100.93236	0.3
101.02435	6.5
108.02171	0.7
109.02937	1.0
113.02451	4.2
119.03474	1.9
121.02937	1.2
123.00851	0.5
123.04490	0.9
124.17469	0.4
125.02441	1.7
127.03915	0.4
129.60193	0.3
134.03763	0.5
135.04485	0.7
136.01636	0.4
137.02422	1.1
138.02728	0.4
139.03951	0.3
143.03494	0.5
143.10736	0.6
145.08621	0.4
149.02386	0.5
150.03194	0.9
151.00342	0.6
151.03995	1.4
152.01149	0.7
159.04550	0.4
160.01569	0.6
161.02386	0.4
161.04611	0.5
165.05489	0.4
166.05037	0.8
167.03481	0.7
169.01384	0.8
175.04016	0.4
193.04990	0.5
197.15434	1.0
209.04541	0.5
227.07114	1.0
237.07773	0.5
239.07005	0.6
240.10173	0.4
243.35318	0.4
253.08846	0.4
255.15970	0.8
267.06619	1.3
280.07391	0.7
281.08115	1.3
289.07169	0.5
295.09705	1.2
325.23810	1.8
329.13837	0.4
340.09332	2.9
343.24857	0.8
355.11862	6.0
355.24905	8.0
356.12271	0.8
356.25339	0.6
371.11404	0.5
373.13095	1.1
373.25922	5.4
387.23898	0.8
505.30078	3.2
506.29630	0.4
517.30450	0.8
535.31201	100.0
536.31512	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	535.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03451	1.3
59.01376	29.6
61.98832	20.7
62.12191	1.0
65.00323	1.7
66.76102	1.1
67.01899	3.0
68.99798	1.1
71.01380	21.4
72.99313	1.7
73.02941	7.1
75.00864	1.2
81.03458	1.2
83.01379	3.2
85.02942	6.6
87.00867	2.2
89.02442	16.4
91.01901	7.3
93.03458	24.9
94.03806	0.9
95.01388	4.7
99.00880	25.3
101.02454	8.9
107.01383	6.8
108.02188	5.5
108.85458	1.2
109.02955	4.2
111.00894	4.2
113.02455	12.4
116.92864	1.2
119.03507	3.6
119.05034	1.6
121.02927	3.3
123.00890	6.1
123.04523	33.9
123.08096	1.2
124.01651	3.1
125.02451	5.2
131.03482	3.3
131.04553	1.4
136.05235	2.1
137.02446	95.6
138.02802	3.3
138.06876	2.4
139.00459	1.5
139.04005	4.5
143.03508	1.1
143.04575	1.3
149.02449	1.4
149.04543	6.6
151.00404	6.3
151.03947	1.1
151.07545	2.2
152.01154	9.7
152.08441	3.4
153.01920	3.9
153.09225	4.6
161.04581	2.9
163.03941	1.2
163.11250	2.3
163.92435	1.1
164.01094	1.0
166.02745	5.5
167.03493	87.6
168.00653	2.4
168.03827	4.2
168.05132	1.2
169.01430	2.4
171.10220	1.2
181.05104	5.2
182.02164	2.6
183.03012	9.3
191.05666	7.4
194.02225	4.0
195.02934	2.3
204.10025	1.0
205.12303	9.6
209.04541	29.4
210.01413	2.0
210.04886	2.0
211.23044	1.1
225.04015	13.9
233.06693	1.7
239.05583	3.3
251.05663	2.3
255.05141	3.1
265.97882	1.1
269.06619	6.1
285.06131	30.5
285.10925	1.2
286.06674	1.7
311.07767	8.4
373.25961	2.1
415.16000	5.9
535.22290	100.0
535.30908	10.1
536.22577	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
58.00575	1.1
59.01380	27.5
61.98829	5.4
65.00338	1.7
65.03965	1.0
69.03441	1.6
69.61461	4.6
69.84041	0.7
71.01385	18.8
73.02953	8.8
83.01387	3.5
85.02957	8.2
85.32127	0.8
87.00877	2.2
89.00362	5.0
89.02441	10.0
93.03459	78.6
94.03807	2.2
97.02962	2.2
98.19958	1.4
99.00883	9.5
101.02445	18.7
103.04005	7.1
104.06826	0.8
108.29732	0.7
113.02443	5.0
119.03485	5.3
121.02982	1.4
123.04520	1.1
125.02464	9.5
131.03473	2.1
137.02446	100.0
138.02760	1.9
143.03482	2.5
145.05029	1.1
150.03186	1.7
151.00395	2.2
151.03993	2.8
161.04565	10.9
163.06107	10.1
167.10777	34.9
176.98309	9.3
178.99875	3.3
191.05571	1.1
199.03981	0.8
205.07016	1.1
237.00398	2.2
241.08711	9.4
247.08281	1.5
255.08807	1.5
270.33142	0.9
281.06647	1.0
307.10251	6.6
311.02029	2.7
329.02872	1.1
341.10065	0.8
371.04144	1.4
387.12866	6.0
413.10938	4.8
414.11258	0.8
431.06177	1.8
431.11926	30.1
432.12332	1.8
475.08905	6.8
476.09058	1.5
535.11499	2.2
535.18683	1.2
535.31561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68317	1.0
67.21513	1.2
69.03448	1.4
71.05060	2.0
71.05386	1.3
79.51449	1.0
87.04512	54.7
95.01936	1.0
112.12576	1.1
113.02433	2.8
131.03505	100.0
132.03835	2.7
135.42189	1.1
153.01964	2.5
158.20212	1.1
221.35942	1.0
340.82031	1.4
461.39334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	Lysidiside P
Peak:m/z	Relative Intensity
50.08136	0.2
59.01380	3.7
59.48191	0.3
69.03423	0.3
69.20772	2.6
71.01381	2.7
72.99267	0.3
73.02939	1.3
82.95422	0.3
83.01397	0.3
84.95120	2.5
85.02940	0.9
87.00864	0.3
89.02449	2.1
93.03451	0.6
97.02940	0.4
98.19850	0.5
99.00871	0.4
101.02443	2.5
103.04033	2.2
107.05022	0.3
109.02956	0.5
113.02421	0.5
117.03462	0.4
119.03513	1.8
119.05034	0.5
123.04501	0.5
125.02438	2.9
137.02393	0.4
141.07121	1.1
143.05014	8.2
145.02937	0.6
145.04939	0.3
146.04587	0.6
151.04001	0.6
152.00995	0.3
157.06552	1.5
159.08133	2.5
163.06107	1.9
166.05074	0.7
168.05803	0.3
181.06555	1.0
182.07355	1.1
183.08142	3.3
185.06059	12.3
186.06429	0.4
193.05040	0.3
210.20709	0.3
211.48187	0.2
225.05612	0.6
225.21106	0.3
227.07127	100.0
228.07463	5.4
247.08171	0.5
290.05106	0.3
307.10309	1.4
316.09143	0.4
387.23901	0.7
388.14154	0.3
535.18463	4.0
535.31702	1.9
536.18457	0.5
536.75684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30377	0.2
55.01874	0.8
57.03445	0.5
58.00583	0.3
59.01381	3.7
61.98829	0.5
65.03960	0.7
65.14487	0.2
69.21208	0.9
69.21630	0.9
71.01383	9.5
72.99313	0.7
73.02943	4.2
83.01384	1.8
85.02947	3.7
87.00893	0.7
89.02443	2.4
93.03457	91.3
94.03794	1.7
95.01382	0.6
97.02937	0.3
98.19862	0.4
99.00877	8.3
101.02439	7.1
113.02443	4.7
125.02428	0.8
131.03487	0.8
136.13019	0.2
137.02443	100.0
138.02771	2.7
142.52245	0.2
143.03519	1.2
151.04059	0.3
153.01892	0.2
158.74345	0.2
159.02995	0.8
161.02434	0.4
161.04549	11.0
162.04903	0.4
175.03990	0.2
179.03568	0.3
191.05592	1.4
205.03430	0.2
241.08687	8.4
242.08972	0.5
255.08733	1.6
281.06592	0.7
293.08841	0.7
299.07895	0.3
360.02637	0.3
387.12958	6.6
388.13306	0.5
413.10822	5.6
414.11212	0.4
431.11917	28.0
432.12238	2.4
535.18237	1.4
535.25098	0.3
536.18286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90469	0.1
53.72867	0.1
57.03451	0.1
59.01107	0.1
59.01379	1.9
61.98831	0.5
65.42590	0.1
69.03439	0.1
69.22379	0.9
71.01381	1.3
72.99306	0.2
73.02932	0.4
75.00891	0.1
83.01395	0.2
85.02949	0.5
87.66177	0.1
89.02438	1.1
93.03457	34.8
94.03781	0.8
95.01382	0.3
98.20676	0.2
99.00884	1.8
101.02450	0.5
109.02928	0.1
113.02442	0.8
117.03400	0.1
119.03472	0.2
123.00838	0.1
125.02416	0.1
131.03508	0.2
137.02441	100.0
138.02777	2.7
139.04053	0.1
143.03432	0.1
145.02931	0.3
149.04510	0.2
153.01732	0.1
161.04550	0.1
162.14214	0.1
183.03004	0.2
191.05609	0.2
209.04482	0.1
225.03949	0.2
225.05637	0.3
226.06354	0.2
241.08670	1.4
250.45956	0.1
253.32500	0.1
285.06207	0.8
307.08188	0.1
355.25061	0.1
373.26257	0.2
397.15167	0.3
415.15836	0.2
471.89716	0.1
483.33273	0.1
535.18341	3.1
535.31372	0.9
536.18506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	5.6
59.01375	3.4
61.98830	6.7
63.61858	0.8
66.03498	1.0
69.39968	4.9
69.40386	1.5
71.01387	2.0
73.94061	0.9
74.02472	13.8
81.03445	1.0
82.02986	1.0
85.02956	1.7
86.02472	5.0
87.00848	0.8
87.05639	3.4
87.30269	0.7
88.04015	0.9
89.02457	1.1
90.00208	1.9
96.96027	1.9
97.04068	2.1
99.00886	0.9
99.05634	9.8
101.07207	2.2
102.05620	5.1
104.00916	0.8
107.06152	1.2
107.08713	0.8
108.56046	0.7
109.02956	1.9
109.04066	2.0
109.07635	0.8
111.05646	1.0
112.04027	0.9
113.02454	1.2
116.01704	1.0
123.04555	1.4
123.05640	0.8
124.04055	1.0
125.02484	1.1
125.03561	1.3
127.05148	1.8
128.03543	35.6
135.04591	1.4
135.05641	2.8
141.06718	2.3
143.04625	45.1
145.06120	1.5
146.04602	11.7
151.03979	1.8
153.06699	2.6
160.00739	12.8
161.06133	0.7
163.03995	1.7
165.02075	0.8
166.09877	2.1
167.04575	2.2
167.08240	1.6
170.03276	0.8
177.03395	4.2
179.04623	9.1
185.05582	1.6
197.05685	1.6
205.05013	1.2
208.61508	0.9
209.11778	1.6
210.08865	7.9
241.05135	1.4
241.10904	1.4
242.07864	1.3
254.07841	11.0
272.08884	19.3
273.09268	1.0
288.06625	8.3
301.03351	0.8
304.06100	3.6
306.07645	100.0
307.08057	3.7
315.08795	6.1
320.87680	0.9
349.35626	0.8
359.00873	0.7
365.55072	0.7
369.13519	2.4
371.70642	0.8
372.10760	0.7
387.14496	0.9
404.11713	0.8
413.38525	0.8
534.21320	3.2
535.21027	1.3
535.28473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44139	1.3
51.66394	1.4
51.78461	1.3
54.18628	1.3
60.21365	1.3
61.98829	100.0
74.18526	1.4
77.99664	1.4
98.20659	4.1
281.24783	1.8
381.02524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52095	0.6
60.26114	0.7
61.98827	100.0
68.02483	0.9
69.36710	5.2
69.37119	1.5
71.95921	0.8
76.09344	0.8
85.79552	0.7
94.63705	0.9
98.19902	1.6
102.07561	0.7
103.55728	0.8
106.74352	0.9
123.61407	0.8
144.12392	0.9
252.72272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48419	0.9
60.99307	15.0
61.98819	3.9
70.27692	1.7
70.28085	2.6
71.01402	1.0
74.97258	1.0
88.09195	1.1
88.98804	100.0
89.02423	2.2
98.20850	0.9
107.20184	1.0
125.02408	1.3
142.39050	1.1
151.03978	2.5
164.82246	1.0
187.07819	1.0
266.54684	1.1
373.09164	1.1
445.13361	2.1
528.90558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
57.03432	2.9
58.00588	1.2
59.01379	22.6
61.98836	9.4
69.19686	1.9
69.20095	5.5
71.01382	32.7
72.01701	0.8
72.99297	1.2
73.02945	13.2
75.00858	1.5
76.95582	0.7
83.01384	6.0
83.75461	0.7
85.02954	14.8
87.00886	1.6
89.02444	9.7
95.01389	2.1
97.02966	1.0
99.00884	10.6
101.02441	25.8
109.02937	1.2
111.00903	0.8
112.98567	1.1
113.02449	14.1
115.87122	0.7
119.03439	1.1
123.04510	1.3
125.02404	4.4
129.01990	0.9
131.03459	1.0
134.03682	1.4
137.02425	2.0
143.03452	1.5
145.02997	1.0
149.02464	1.6
150.03160	0.8
159.02960	2.6
161.02435	1.0
161.04556	13.2
165.01891	1.1
167.03535	0.9
167.05008	2.3
169.06622	1.1
180.05861	1.1
181.06575	1.2
183.04601	1.1
185.06062	1.1
196.05240	0.9
197.06067	1.1
208.05341	1.6
209.06036	6.1
211.04105	0.9
225.05591	3.0
227.06972	1.6
253.05049	35.8
254.05428	2.2
269.04575	2.4
270.05222	1.7
271.06168	2.0
303.58130	0.7
367.11594	0.8
374.50104	0.7
399.23840	19.9
400.24155	1.4
531.28101	100.0
532.28387	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	532.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98830	100.0
62.35634	0.2
69.39495	1.3
69.39909	0.5
71.01385	1.0
73.02953	0.5
83.01389	0.4
85.02975	0.7
89.02457	0.8
96.96045	0.8
97.02946	0.3
98.19924	0.5
99.00858	0.3
101.02437	0.5
109.02962	0.3
112.93785	0.3
113.02462	0.3
119.04988	0.3
123.04556	0.4
125.02461	1.1
128.03548	0.3
137.02483	0.8
150.03249	0.3
151.00429	0.6
151.04010	0.4
152.00891	0.2
161.04594	0.4
165.01913	0.3
183.14565	0.3
187.04170	0.3
252.39159	0.2
268.38489	0.3
269.04471	0.3
270.05225	0.7
289.07278	0.8
505.30664	0.3
530.96411	0.3
531.28406	0.5
532.28735	0.7
533.19904	0.3
533.29901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34097	1.0
55.80583	1.0
56.52882	1.0
59.01380	1.4
61.98822	5.0
65.92556	0.9
71.01390	1.5
78.95889	1.2
98.20675	1.9
115.05502	1.1
119.05024	100.0
120.05373	1.5
132.02153	1.6
160.01671	3.4
163.04007	93.0
164.04399	3.0
179.07185	2.4
215.25217	1.0
222.06978	1.1
224.08455	1.2
240.07951	2.9
255.10239	1.3
267.06500	1.1
268.07440	5.2
279.06473	1.4
280.07413	4.0
281.07831	1.5
283.09778	5.3
296.06918	4.0
301.15387	1.0
304.53470	1.2
308.06949	5.3
309.07715	4.7
311.09149	1.5
321.07602	1.4
322.08453	3.1
323.09189	11.0
324.06360	4.9
324.09882	3.2
337.10760	2.1
338.11566	3.0
339.08707	31.0
339.12262	1.5
340.09167	2.3
353.10165	1.7
354.11053	11.5
355.11261	1.3
369.13391	34.3
370.13553	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	533.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63541	0.8
57.03447	8.3
59.01377	10.5
61.98826	16.4
69.03469	1.5
69.47883	3.0
69.48302	3.3
71.01379	4.1
73.02937	2.0
76.27660	0.8
81.03458	2.2
83.01387	9.6
85.02975	1.2
89.02452	2.8
89.15637	0.9
93.03449	3.1
95.05031	1.5
96.95996	2.0
97.02946	2.5
98.20610	2.0
101.02432	3.5
109.02956	13.0
111.08125	1.2
113.02402	1.2
117.03441	1.0
119.05023	1.1
121.02946	2.4
123.00909	1.3
123.04524	12.3
124.01723	0.9
125.02442	66.3
126.02744	1.3
128.03564	1.6
132.02182	3.2
133.02927	3.1
134.03716	4.5
135.04504	5.6
135.08165	3.0
137.02440	100.0
138.02788	2.4
139.04025	1.7
141.63264	0.8
143.04747	0.8
145.02936	4.3
147.08144	3.4
148.08627	1.0
149.02435	14.5
149.06084	0.9
150.03230	22.4
151.00398	0.9
151.04008	25.0
152.04309	1.1
159.04475	1.3
160.01659	12.3
161.02432	6.8
161.04781	0.8
161.06084	2.6
163.03970	2.3
164.01044	1.1
165.01903	3.0
166.02684	1.1
167.03448	3.1
175.03979	14.3
176.04559	0.9
177.01936	1.3
179.03502	3.1
179.07121	12.5
185.06044	1.4
187.04025	2.2
191.05475	1.8
191.07123	25.0
193.05032	2.9
195.06601	9.1
203.07147	9.5
205.05028	1.6
223.09750	9.4
227.07126	1.8
229.05130	1.2
233.08197	1.1
234.08627	1.2
235.09750	39.5
236.09998	1.8
245.08134	3.9
247.09593	1.0
255.06630	1.2
271.06082	10.0
281.11612	0.9
287.14978	1.9
289.07150	9.1
290.07578	1.2
297.09796	6.1
313.09344	3.0
323.07724	3.5
325.10709	3.5
337.09290	11.7
343.11768	1.8
369.13306	7.7
371.24576	1.1
387.14380	4.7
411.16351	1.9
435.12964	16.3
436.13483	1.3
489.17670	3.2
492.95691	1.0
533.19946	25.7
533.29388	6.6
534.17334	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	531.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28651	3.0
57.03443	6.5
58.00605	3.1
59.01380	63.7
61.98530	5.1
61.98829	67.1
65.01728	3.2
69.46322	15.0
69.46723	8.2
71.01382	51.7
73.02941	8.2
75.54028	3.1
80.91692	5.2
82.22370	3.2
83.01370	8.7
85.02952	16.3
87.00819	4.5
89.02445	47.4
92.87729	3.2
95.01428	4.3
96.96001	13.0
97.02988	5.3
98.20628	6.4
99.00884	28.6
99.04553	3.5
101.02438	23.1
108.02139	7.8
109.02915	6.4
113.02445	20.5
119.03482	23.3
121.02938	4.3
125.02462	30.9
125.43869	3.2
131.03482	5.1
137.02449	40.2
143.03496	4.5
149.04510	7.3
151.03993	5.0
152.01118	8.2
161.04544	9.4
165.01938	5.4
174.03174	5.1
179.05630	7.6
180.72025	3.3
191.05528	10.0
195.26366	4.0
209.11821	17.7
223.04608	5.7
227.12781	4.4
229.08479	5.3
238.29498	3.4
246.08974	7.1
253.09346	4.0
277.57620	3.4
289.07089	7.2
367.11655	7.5
385.12640	7.1
421.49710	3.5
531.22412	8.2
531.28290	100.0
532.28912	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	531.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
56.38222	0.8
57.03444	3.5
58.00598	1.8
59.01378	40.2
61.98828	19.9
65.00343	1.3
67.01907	1.2
69.03444	1.3
69.48107	6.4
71.01380	36.0
71.01777	1.9
72.99297	3.2
73.02951	9.7
75.00904	1.3
83.01366	4.3
85.02951	12.7
85.06593	0.9
87.00890	2.2
89.02443	35.6
89.51891	0.8
95.01392	4.1
96.96008	1.2
97.02961	2.1
99.00879	10.9
101.02441	24.9
109.02967	2.7
113.01726	0.6
113.02446	17.5
119.03503	11.0
121.02963	2.1
122.03823	1.0
123.04539	2.4
125.02450	9.1
131.03470	2.5
132.02190	1.3
133.02950	19.5
134.03690	1.8
135.04533	20.0
137.02443	10.5
137.09708	1.3
143.03494	3.2
145.02858	1.4
147.08208	0.9
148.05246	1.1
149.02425	3.1
149.04562	3.9
149.06088	3.6
150.03242	3.4
151.00406	1.7
151.04019	6.3
152.01137	1.3
159.02817	0.8
161.02443	43.4
161.04457	7.2
162.02855	1.8
165.01869	4.0
175.03995	1.8
177.01996	2.0
177.05548	7.6
179.03491	27.8
179.05598	4.2
189.09323	1.0
191.05557	1.6
207.10173	1.3
221.04549	12.3
222.82616	1.0
227.03404	1.0
233.08174	5.7
241.04968	1.1
247.06035	1.4
251.05586	18.3
261.07675	1.3
269.04535	10.1
270.05270	5.3
281.06665	31.5
282.06897	1.9
287.05603	1.6
288.06366	1.0
341.08746	11.8
348.97281	0.8
367.08319	0.8
367.12073	6.6
369.13507	1.4
369.22757	1.5
381.09848	1.0
385.12833	1.9
399.23822	7.3
443.23181	1.1
495.27911	1.1
531.28156	100.0
532.28381	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	531.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01371	2.4
59.57513	0.4
59.86262	0.4
61.98827	5.0
65.00327	1.1
68.85843	0.5
70.22423	0.4
71.01369	1.0
78.95906	3.3
79.95729	3.8
83.01376	1.1
85.02940	0.6
89.02441	1.7
96.96008	100.0
96.96996	3.1
107.01396	0.8
121.72646	0.5
123.04510	1.2
124.01612	0.7
125.02443	4.6
130.08763	0.6
132.03029	0.7
133.05087	0.9
135.04555	1.0
137.02428	5.7
149.02396	1.0
150.03229	1.3
151.00375	2.7
151.03946	1.8
152.01163	4.9
152.04309	1.0
163.00346	1.3
163.07596	0.6
165.01884	1.5
177.01872	1.2
178.99852	7.7
187.07681	1.1
201.05612	1.2
205.08792	0.7
206.08932	0.5
208.38551	0.5
215.07175	0.6
229.08730	1.2
231.06596	2.2
232.07039	1.8
233.07196	1.2
234.08141	0.5
243.06685	0.6
259.06140	2.4
260.06561	0.9
261.06766	0.6
269.04462	5.1
270.05069	0.7
271.30139	0.6
287.05661	1.2
343.42615	0.5
365.10403	1.3
366.10614	2.6
367.10983	3.4
383.11331	0.9
384.11441	1.1
385.12247	1.0
433.11380	12.3
434.11627	0.8
530.28784	0.7
531.18622	1.6
531.28546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62091	0.2
57.03460	0.4
59.01387	1.2
60.99313	0.4
61.98830	100.0
63.31013	0.2
69.80096	0.3
70.10725	0.6
70.11115	0.8
71.01384	1.2
78.91886	0.3
80.91692	1.4
83.01379	0.5
85.02969	1.4
88.98806	3.4
89.02447	0.5
96.96027	0.4
99.00883	0.4
100.70281	0.3
101.02473	0.4
108.13068	0.3
109.02976	0.6
111.00912	0.9
113.02505	0.5
117.01895	0.3
121.03004	0.5
123.04523	4.0
125.02455	2.8
129.01959	0.6
131.73499	0.2
132.03046	0.9
137.02441	1.7
146.04628	0.3
149.02434	0.3
150.03264	0.4
151.00414	0.6
151.03996	0.5
152.01244	0.3
153.01950	0.4
153.05554	3.7
161.04684	0.4
165.01891	0.4
167.03525	0.7
169.01430	3.4
170.01753	0.3
181.01445	0.3
193.01714	2.7
197.04625	0.4
205.03554	0.5
223.04597	2.8
245.08264	0.4
289.07288	1.6
298.10074	0.3
303.05313	0.4
327.60837	0.3
341.08731	4.3
379.01422	0.3
393.15610	0.3
441.08197	1.5
495.15070	0.7
531.19440	0.6
544.99811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07442	0.2
57.03445	0.4
58.00599	0.6
59.01375	7.7
69.03448	0.3
69.17913	2.4
71.01379	5.0
71.06689	0.3
72.99303	0.3
73.02940	1.0
75.63505	0.2
83.01382	0.4
84.72538	0.3
85.02946	1.5
87.00867	0.9
89.02443	5.7
95.01383	0.5
99.00876	0.4
101.02439	7.4
111.08141	0.5
113.02451	2.7
113.09711	0.4
119.03477	1.8
125.02372	0.3
131.03474	0.4
143.03477	0.7
146.77342	0.2
161.04547	3.3
167.10687	0.2
177.12891	0.4
179.05585	1.1
179.14429	1.0
195.13896	9.6
196.14491	1.1
205.12309	0.7
205.16000	0.3
211.13341	0.4
223.13393	5.9
224.13763	0.3
228.13686	0.8
231.06551	0.3
231.21104	0.4
249.22247	0.3
253.09273	30.6
254.09627	1.0
256.13058	1.3
265.21658	0.4
275.20145	5.5
276.20480	0.4
293.21213	100.0
294.21558	6.2
365.10162	0.5
383.11438	0.3
492.22153	0.7
553.57605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52557	0.3
55.01870	0.4
57.03440	0.3
58.00591	0.4
59.01378	7.8
69.16830	0.6
69.17239	1.6
71.01380	6.1
72.99316	0.3
73.02963	1.1
80.43060	0.2
81.81075	0.2
83.01376	0.7
85.02960	1.1
87.00883	0.7
89.02435	5.7
91.03999	0.2
95.01389	0.5
97.02934	0.3
99.00871	0.3
101.02438	5.9
104.83860	0.2
111.08172	0.4
113.02452	3.2
119.03504	1.2
123.43818	0.2
134.83255	0.3
143.03453	0.5
151.04079	0.3
161.04561	3.5
167.10802	0.3
177.12892	0.3
179.05585	1.6
179.14404	1.2
195.13902	9.3
196.14514	0.5
204.59709	0.3
205.12317	0.7
205.15994	0.4
211.13406	0.6
223.13367	5.4
224.13870	0.4
228.13620	0.9
231.06525	0.4
231.21164	0.4
232.07538	0.3
235.08270	0.3
253.09276	28.6
254.09604	0.8
256.13120	1.6
265.21747	0.3
275.20148	5.8
293.21222	100.0
294.21552	5.8
365.10391	0.5
383.11157	0.4
492.21875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28367	1.2
57.03448	2.5
59.01366	4.2
60.99306	17.1
61.98812	5.1
64.05405	1.4
70.03557	2.4
70.03947	3.6
71.01387	2.5
78.62374	1.4
78.91879	14.0
80.91695	1.8
81.03464	2.1
83.01414	2.3
85.02970	2.7
88.98806	100.0
89.02464	1.4
93.76717	1.3
95.01368	2.1
97.02949	3.1
98.19907	1.7
101.02441	2.3
107.01395	2.6
109.02947	6.8
111.00877	1.5
115.00362	1.2
118.25210	1.2
118.47754	1.4
118.55524	1.3
120.11456	1.4
123.00892	1.5
123.04495	4.4
124.01652	1.5
125.02442	55.9
126.02785	1.8
134.67654	1.2
135.04483	1.2
137.02455	9.8
139.04019	1.8
145.02974	2.6
149.02399	3.0
151.04016	3.0
159.04443	2.1
161.06000	1.6
162.03183	1.5
164.01212	2.0
165.01949	3.1
166.99890	1.7
167.03441	2.3
169.01418	99.6
170.01805	3.2
179.03470	1.9
193.01477	2.9
198.53960	1.4
203.07138	4.9
205.05034	2.2
223.04579	4.1
245.08180	7.5
253.04913	1.8
265.38983	1.5
271.06073	4.9
289.07187	42.6
290.07626	1.9
303.04819	1.9
331.04495	3.4
391.00833	1.6
403.24573	1.4
439.16397	1.8
441.08231	41.5
442.08774	3.3
531.29102	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	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13135	0.6
54.19917	0.7
59.01379	9.6
60.82955	0.6
71.00068	0.8
71.01385	6.7
73.02930	0.9
85.02956	1.9
87.00880	0.8
89.02441	7.3
90.70751	0.7
94.19747	0.7
98.20657	1.5
101.02445	6.5
113.02457	3.2
119.03508	2.1
161.04552	3.3
179.05664	1.7
179.14488	0.8
185.61357	0.7
195.13928	9.4
205.12395	0.9
223.13480	5.6
253.09288	31.2
254.09610	1.1
256.13187	1.5
262.05624	0.8
275.20071	5.2
293.21228	100.0
294.21640	5.8
469.83490	0.7
498.13492	0.7
529.30981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29122	0.4
53.00064	0.3
59.01378	2.8
61.98840	1.9
65.00322	8.3
67.01878	0.5
67.60570	0.4
68.99818	2.4
69.03429	0.6
71.01382	1.2
73.02961	0.3
83.01373	0.8
85.02934	0.8
87.00874	1.1
89.03989	0.6
91.62020	0.5
93.03448	1.3
93.07098	1.0
94.98086	2.3
95.01404	0.6
95.05023	0.5
98.19834	0.7
99.92628	0.5
101.02399	0.7
101.04043	0.4
103.04017	0.8
104.02697	1.0
105.03442	0.9
107.05041	0.6
108.02189	2.2
109.02962	2.5
110.00093	1.3
111.00839	0.7
113.02468	0.4
114.05616	0.9
115.05522	0.5
117.03473	0.7
117.07100	3.5
119.01340	0.6
119.08665	2.1
121.02970	2.3
121.06596	11.5
122.03745	1.4
122.06881	0.5
123.00889	0.5
123.04527	15.6
124.01656	0.9
125.02414	0.6
130.04259	1.0
131.05049	0.5
132.02173	0.8
133.02951	4.1
134.03760	0.9
135.00871	0.9
135.04526	14.7
136.01680	1.3
137.02438	1.7
137.09747	0.9
139.00415	0.7
139.04010	0.9
143.05031	1.3
143.08659	1.0
145.02963	1.8
145.06592	11.9
146.03711	0.9
146.06961	0.7
147.04517	2.4
148.01561	0.6
149.02429	6.5
149.99655	2.0
150.03227	22.9
151.04008	31.1
152.01208	0.6
152.04347	0.9
155.05000	0.7
157.02975	0.5
158.03671	1.6
158.04643	1.5
159.04585	2.2
159.08145	0.7
160.01616	0.5
161.02457	2.8
161.06082	1.2
161.09703	3.9
162.03162	0.6
163.00389	5.2
163.03960	1.1
163.07639	13.2
164.01125	2.0
165.01868	0.8
171.04497	0.9
172.05356	0.9
173.02350	0.9
173.06047	1.2
174.03195	2.1
175.00397	2.1
175.03995	9.1
176.01231	1.8
177.01929	15.3
178.02467	0.6
185.05876	0.4
187.04016	0.6
187.07648	15.4
188.08009	0.7
189.01917	1.1
189.05568	4.3
190.99837	1.9
191.03529	2.3
192.00610	0.9
193.05080	1.4
199.04042	2.2
200.01532	0.4
201.01927	3.0
201.05550	0.5
202.02527	0.5
203.03497	7.1
203.07103	2.3
204.04001	0.4
204.07906	5.0
205.08690	22.6
206.08989	1.0
206.99304	0.5
213.05597	0.7
215.03551	1.9
216.04242	0.8
217.05063	10.4
217.08456	0.6
218.05435	0.5
219.02960	1.2
223.22334	0.4
223.99609	0.6
225.05598	0.6
227.03426	0.7
229.05006	0.5
229.42607	0.6
231.06610	76.0
232.07327	20.0
233.08081	4.2
237.05537	0.4
243.02977	0.8
253.05003	0.6
259.06097	22.5
260.06766	7.2
261.07672	2.1
269.04416	0.5
277.05026	0.7
281.04544	0.5
282.05374	0.7
292.05890	0.8
293.04749	0.5
293.11896	0.6
294.05203	0.5
297.04056	1.2
297.09662	7.3
298.04645	0.7
309.04105	5.3
310.04797	6.1
311.05399	0.5
321.11349	1.4
322.04987	0.5
323.07858	1.3
330.04111	0.4
337.10742	1.7
339.12506	2.0
347.09125	1.4
355.11801	4.9
365.10269	100.0
366.10596	8.5
370.13690	1.0
382.10617	1.5
383.11337	35.9
384.11710	3.1
461.10855	0.7
511.16409	0.8
529.17169	20.2
530.17303	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	529.1715
Annotation	Caohuoside C
Peak:m/z	Relative Intensity
59.01379	3.4
61.98827	1.6
65.00320	8.4
68.99792	2.6
69.03458	0.6
71.01381	1.6
72.82032	0.4
72.99319	0.6
79.95724	0.7
81.03467	0.4
82.91861	0.4
83.01398	0.8
85.02952	0.6
87.00854	0.7
89.02448	0.9
93.03467	0.8
93.07096	0.5
94.98089	1.5
95.01382	0.6
95.05028	0.4
95.23333	0.4
97.02973	0.5
98.20694	0.9
99.92596	0.5
101.02435	0.8
104.02663	0.6
105.03486	0.8
108.02155	2.3
109.02929	3.0
110.00095	1.1
111.00900	1.0
111.50349	0.4
114.05609	2.0
115.05502	0.6
115.92048	0.7
116.92854	0.9
117.03449	0.4
117.07117	3.8
119.08659	1.6
119.58243	0.4
121.02961	1.8
121.06599	10.2
122.03730	1.7
123.04524	14.2
123.08209	0.6
124.01657	0.8
125.02448	0.9
130.04237	0.9
131.05034	0.7
132.02159	1.0
133.02977	3.2
134.03770	1.3
135.00890	1.0
135.04523	14.6
136.01672	1.9
137.02438	1.4
137.09723	1.2
139.00363	0.9
139.03993	0.6
140.03540	0.8
143.05026	1.8
143.08644	1.0
145.02951	1.5
145.06592	13.6
146.03764	1.1
147.04565	2.8
147.08301	0.5
148.01579	0.6
149.02435	5.4
149.99562	1.7
150.02019	0.9
150.03229	21.5
151.04004	28.9
152.01158	0.8
152.04314	0.6
157.02945	0.5
158.03491	1.0
158.04694	5.9
159.04750	2.7
159.08153	0.5
160.01601	0.4
161.02449	2.4
161.06096	1.0
161.09735	3.7
162.03160	0.5
163.00371	6.2
163.04016	1.1
163.07640	11.8
164.01134	1.4
165.01912	0.5
171.04489	0.8
172.05278	0.6
173.02478	0.9
173.06148	0.7
174.03215	1.8
175.00354	1.6
175.03976	7.3
175.07649	1.1
176.01140	1.1
177.01921	13.6
178.02557	0.8
187.03996	1.4
187.07628	13.9
187.09236	0.9
188.04845	0.6
188.08044	0.7
189.01909	1.0
189.05579	4.5
190.99854	1.6
191.03467	2.7
192.00609	1.5
193.05070	1.3
199.04001	1.3
201.01953	2.5
203.03506	6.7
203.07132	3.0
204.07901	4.7
205.08676	20.7
206.08997	0.8
207.06682	0.5
215.03534	0.9
215.07007	0.5
216.04167	0.6
217.05043	10.5
217.08449	0.7
218.05347	0.5
219.03044	1.5
223.99651	0.7
227.03558	1.1
229.05132	0.5
229.21902	0.6
231.06601	70.9
232.07333	17.7
233.08076	3.5
253.05055	1.2
259.06082	21.6
260.06866	6.6
261.07620	2.3
277.05005	0.6
281.04431	0.6
282.05096	0.5
292.05704	0.8
294.05518	0.6
297.04050	1.6
297.09705	6.3
298.04800	0.9
298.10062	0.9
309.03958	6.3
310.04761	4.9
321.11359	2.0
322.04858	0.5
323.07745	1.6
336.06467	0.7
337.10715	2.4
338.11362	0.6
339.12326	1.6
347.09055	1.1
350.07730	1.0
355.11874	5.1
356.12183	0.5
365.10275	100.0
366.10620	8.7
369.13480	0.7
370.13550	2.8
382.10550	1.5
383.11313	33.1
384.11874	2.6
387.77435	0.5
511.15942	0.6
529.09210	1.0
529.17120	19.2
530.17755	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	529.1713
Annotation	Caohuoside C
Peak:m/z	Relative Intensity
59.01376	3.6
59.03193	0.7
61.98835	4.8
65.00321	7.7
68.99810	2.1
69.67970	2.2
69.68382	2.0
71.01369	1.0
83.01413	1.3
93.98695	0.7
98.20557	1.4
104.02684	0.8
104.71037	0.7
105.50934	0.7
108.02169	2.8
109.02940	1.8
110.00069	2.1
111.00873	0.9
117.03484	0.8
117.07101	3.5
119.05061	0.7
119.08722	2.0
121.02946	2.6
121.06597	9.0
122.03733	1.1
123.04520	12.0
124.01641	1.0
131.05026	0.9
132.02205	0.9
133.02933	3.9
134.03699	0.9
135.04520	9.8
136.01706	1.0
137.02472	1.7
137.09732	1.1
139.04018	1.6
143.05037	1.2
143.57010	0.7
145.02954	2.5
145.06596	12.7
147.04488	2.2
148.01535	0.7
149.02425	5.0
149.99600	1.3
150.03227	20.2
151.04013	28.2
158.03731	2.0
159.04469	1.2
161.02396	2.4
161.09724	4.8
163.00386	5.2
163.07643	12.6
164.01109	1.8
171.04480	1.0
172.05217	1.3
173.02493	1.0
173.06105	0.9
174.03241	1.0
175.00386	1.6
175.04016	8.2
176.01134	1.2
177.01920	15.3
178.02415	1.3
183.13896	6.8
187.07619	14.5
188.07877	0.9
189.05540	3.9
190.99806	2.3
191.03464	3.2
193.05089	0.8
197.11765	0.9
199.04050	1.6
199.13531	0.6
201.01961	2.9
201.11275	2.3
203.03487	7.2
203.07135	2.2
204.07875	4.5
205.08688	22.9
205.80348	0.8
206.09021	1.6
209.11732	3.4
215.03479	2.0
217.05046	9.9
219.02986	1.2
231.06613	70.7
232.07324	20.9
233.08139	4.3
238.06323	0.9
253.09294	1.3
259.06079	24.3
260.06870	5.7
261.07748	1.9
267.03391	0.9
279.10312	1.0
281.04532	1.0
284.03375	0.9
293.11789	1.1
293.21359	1.3
297.04288	0.8
297.09705	5.5
298.04562	0.9
309.03995	5.4
310.04779	6.5
314.94211	0.7
321.11432	0.9
323.08017	2.3
335.05215	1.0
337.10904	2.1
339.12534	2.0
347.09055	1.1
350.08029	1.1
355.11862	5.5
365.10281	100.0
366.10648	9.6
382.10611	1.6
383.11340	41.0
384.11700	3.0
454.53403	0.8
485.27704	1.4
511.29172	0.9
529.17145	23.0
529.29303	1.3
530.17444	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	529.1713
Annotation	Caohuoside C
Peak:m/z	Relative Intensity
59.01368	2.9
59.55803	0.7
62.65723	0.7
62.88111	0.6
65.00326	4.5
67.98772	0.8
68.99814	2.4
69.17956	0.8
70.00787	1.7
70.01180	1.8
71.01397	0.8
77.09016	0.8
83.01403	1.1
93.03427	1.1
93.07102	0.8
98.20556	1.3
104.02681	1.0
105.03468	1.2
108.02168	1.2
109.02935	2.4
111.91657	0.8
117.07092	2.4
119.08700	0.9
121.02978	2.0
121.06588	8.9
122.03738	1.7
123.03631	1.0
123.04518	17.5
131.37029	0.8
132.02176	0.8
133.02931	2.1
135.04527	5.7
136.01648	1.0
143.08644	1.0
145.02942	1.6
145.06577	8.5
147.04515	1.0
149.02417	4.4
149.99545	3.2
150.03221	25.6
151.04004	35.8
152.04318	1.5
158.03670	1.5
159.04494	0.9
161.02422	2.6
161.09735	5.3
163.00362	2.9
163.07639	10.8
174.03125	1.6
175.00430	2.2
175.03995	12.6
176.01146	0.9
177.01926	9.4
187.03976	1.1
187.07602	9.5
188.08026	0.8
189.01921	2.2
189.05568	5.3
191.03526	1.2
192.00641	0.9
199.03990	1.2
201.01917	2.9
203.03500	5.9
203.07103	3.4
204.07925	8.6
205.08705	22.8
206.08936	1.2
217.05077	4.0
219.03102	1.0
231.02879	2.3
231.06619	60.4
232.07350	19.6
233.08130	4.8
259.06088	20.2
260.06860	15.6
261.07599	3.1
293.20801	1.1
297.04056	1.1
297.09677	6.1
309.04050	3.5
310.04788	3.2
321.11136	1.9
323.07874	1.4
337.10941	1.4
339.12439	1.3
339.59613	0.9
355.11893	7.9
365.10278	100.0
366.10526	8.7
382.10489	3.0
383.11337	62.9
384.11673	7.1
453.20419	0.8
511.15936	1.3
529.17102	11.4
530.17108	1.3
554.20807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.1
61.98837	4.4
65.00324	2.9
71.01385	3.8
71.50770	2.6
89.02454	2.1
95.55933	1.2
95.73025	1.4
97.06615	1.5
101.02459	2.8
105.08231	1.4
108.02255	1.9
109.02946	2.7
111.08149	2.7
112.08482	2.2
113.02446	1.5
117.07100	1.5
119.08687	1.7
121.02927	1.8
121.06595	9.4
123.04514	14.9
133.02995	1.8
135.04517	4.3
145.02916	2.0
145.06604	7.5
149.02466	4.0
149.99557	2.7
150.03229	27.2
151.04019	31.9
151.11270	4.5
158.03668	2.9
161.02502	2.4
161.09743	5.6
163.00365	2.4
163.07643	12.8
169.12375	11.5
175.00366	2.3
175.03984	11.4
177.01863	7.6
183.13834	1.5
187.07611	10.1
189.02037	1.7
189.05550	3.3
195.10286	1.6
195.13927	2.8
199.03918	2.1
201.01942	4.7
203.03520	5.3
203.07106	2.9
204.07877	8.8
205.08691	20.8
209.11792	13.9
211.03841	1.5
217.05078	3.9
231.03127	2.8
231.06630	52.8
232.07361	18.3
233.08092	2.0
253.09288	4.9
254.09589	4.1
255.09778	3.0
259.06100	22.2
260.06775	12.2
261.07617	2.4
287.14978	2.8
291.19675	17.8
292.19998	23.9
293.20450	21.2
297.09760	5.6
309.03952	3.2
310.04907	3.8
337.10751	1.9
355.11987	7.9
365.10291	100.0
366.10696	8.1
382.10284	2.7
383.11356	63.7
384.11670	3.8
402.34818	1.5
440.17041	1.5
447.13644	8.1
497.27371	6.1
529.17554	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	528.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61745	0.3
59.01376	0.6
61.98830	100.0
70.89052	0.8
71.01360	0.3
75.11671	0.3
113.02401	0.3
125.02469	0.7
137.02454	0.9
140.72752	0.4
165.01982	0.5
207.42041	0.4
209.11801	0.6
291.19815	0.4
292.20126	1.0
364.60477	0.4
443.58893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.23
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38762	0.3
59.01382	0.6
61.82830	0.3
61.98831	100.0
63.02882	0.3
70.26429	1.3
76.52991	0.3
84.77370	0.3
98.52880	0.3
101.02487	0.4
121.02995	0.4
123.04585	0.4
125.02433	0.8
126.86463	0.3
212.09262	0.3
295.52969	0.3
303.09210	0.3
365.10968	0.4
397.66992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89206	0.5
57.90451	0.4
59.01382	2.9
61.98822	1.6
65.00326	8.5
68.99825	2.2
69.03452	0.7
71.01394	1.4
73.02968	0.4
81.03473	0.4
81.99240	0.4
83.01389	0.9
83.05049	0.4
85.02950	0.4
87.00899	0.6
89.02449	0.8
89.03969	0.5
93.03448	0.8
93.07101	1.4
95.01374	0.5
95.05003	0.4
101.02462	1.1
102.04691	0.5
104.02705	0.8
105.03484	0.9
107.05045	0.7
108.02185	2.6
109.02953	2.2
110.00080	1.3
111.00896	0.6
112.02262	0.5
115.05518	0.8
117.03477	0.5
117.07117	3.1
119.08669	1.5
121.02980	2.3
121.06601	11.5
122.03701	1.1
122.06927	0.4
123.00901	0.6
123.04526	14.1
124.01663	1.0
125.02425	0.5
130.04272	0.8
131.01419	0.5
131.04967	0.8
132.02176	1.1
133.02954	3.8
134.03755	1.2
135.00929	0.4
135.03502	0.6
135.04526	11.4
136.01674	1.9
137.02505	0.5
137.09740	1.0
139.04010	1.5
139.05098	0.4
143.05040	1.4
143.08627	0.7
145.02965	1.2
145.06589	12.3
146.03746	0.6
146.06908	0.5
147.04555	2.4
148.01633	0.5
149.02425	5.4
149.99605	1.3
150.03224	23.0
151.04008	31.7
152.01115	0.6
152.04306	0.7
155.05017	0.6
157.02881	0.4
158.03731	1.7
159.04507	1.9
159.08160	0.9
161.02495	2.1
161.06010	0.8
161.09746	4.1
162.03259	0.7
163.00377	4.7
163.03996	0.8
163.07651	11.8
163.08986	0.8
164.01117	1.8
164.08078	0.6
165.01903	0.9
171.04535	0.8
172.05286	1.0
173.02400	1.1
173.06023	0.8
174.03194	1.5
175.00354	1.5
175.03987	8.6
175.07611	0.8
176.01157	2.2
177.01930	13.7
178.02480	0.8
187.04048	0.8
187.07634	14.9
188.04816	0.6
188.08131	0.6
189.01959	1.0
189.05603	3.7
190.99861	1.3
191.03488	2.1
192.00551	0.8
193.05128	1.2
199.04015	2.1
201.01871	3.0
202.02737	0.5
203.03514	6.8
203.07170	2.6
204.07849	4.0
205.08693	23.2
206.08992	1.0
215.03511	1.5
216.04239	0.5
217.05051	9.8
217.08545	0.4
219.03011	1.4
225.05682	0.9
227.03416	0.5
229.05164	0.7
231.06625	79.1
232.07341	18.6
233.08096	3.7
235.17099	2.2
241.04994	0.6
249.07729	0.7
253.05139	0.9
253.09285	2.2
259.06110	20.0
260.06760	6.2
261.07657	2.3
263.07104	0.5
275.20245	3.2
281.04541	0.5
284.03210	0.8
293.11777	0.9
293.21225	4.8
297.04083	0.9
297.09756	8.1
298.04941	1.4
298.10254	0.6
309.04086	4.7
310.04807	6.1
321.11221	1.5
323.07709	2.2
335.05518	0.5
336.06403	0.7
337.10709	2.2
339.12430	1.8
347.09207	1.5
350.08044	0.6
355.11914	5.0
365.10284	100.0
366.10577	8.0
382.10544	1.4
383.11359	30.6
384.11615	2.6
398.13501	0.5
511.16202	0.6
529.17163	21.6
529.29791	0.9
530.17761	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	528.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02668	0.4
56.62202	0.5
59.01392	0.8
61.98826	1.9
65.00331	0.8
66.03489	2.9
68.05048	2.8
69.22110	4.5
69.22513	1.1
72.00906	3.0
83.01395	1.0
83.84555	0.5
93.03458	0.9
95.05041	0.7
96.04514	0.6
96.96024	0.5
97.02941	4.5
98.19912	0.9
99.92552	0.6
104.42246	0.5
108.02185	0.8
108.61404	0.5
109.02958	6.6
110.27061	0.6
114.05606	37.3
115.05983	0.7
117.03429	0.6
117.07102	1.0
119.08690	0.8
121.02966	1.2
121.06556	2.3
122.03727	1.6
123.04523	8.1
124.01600	0.6
125.02446	1.2
125.30553	0.4
131.04953	0.6
133.02971	0.9
135.04498	3.3
137.02457	1.3
139.04036	1.6
140.03539	8.3
145.02957	1.1
145.06596	1.9
146.03743	1.3
147.04428	0.8
149.02423	3.8
150.03227	4.2
150.12898	1.0
151.03993	7.2
158.04587	100.0
159.04860	3.4
161.02432	2.1
161.06104	1.8
161.09712	1.1
162.03203	1.1
163.00446	1.1
163.04019	1.6
163.07635	2.9
164.01074	0.5
167.03432	0.6
173.06059	0.5
175.04018	1.5
175.07681	0.6
176.10771	0.5
177.01936	2.9
177.05559	0.7
187.03973	1.7
187.07664	2.0
188.04774	0.8
189.01965	0.5
189.05609	1.3
190.02696	0.6
191.03497	0.9
194.11848	2.0
202.06375	0.8
203.03467	2.0
203.07079	2.5
204.08046	0.6
205.05127	3.6
205.08673	5.5
207.10312	1.4
217.05083	2.2
217.08665	4.2
219.10219	1.0
231.06578	14.4
232.07356	2.3
238.10840	1.7
245.08218	0.9
246.08943	1.0
247.06046	2.1
259.06100	3.8
260.06952	1.2
283.13223	0.9
289.07162	0.6
297.09744	1.1
299.30774	0.5
301.69962	0.5
309.04068	1.0
323.07849	0.7
325.14429	2.1
355.11987	1.1
365.10266	20.2
369.13406	37.3
370.13828	3.5
382.10440	0.6
383.11337	7.3
467.53644	0.6
492.12427	0.7
529.16992	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01384	2.1
61.98830	12.8
63.96239	0.9
69.03451	0.8
69.15438	4.9
70.90675	0.4
71.01382	7.6
71.94106	0.4
72.99294	0.5
73.02944	2.1
78.98580	4.8
79.95730	7.5
80.96516	56.3
81.03452	1.0
83.01368	0.9
85.02950	2.7
87.00884	3.0
89.59540	0.4
93.62593	0.4
94.98084	14.9
95.01392	0.9
96.96000	1.4
97.02958	2.2
98.20656	1.1
99.00876	0.9
99.04514	0.6
101.02431	3.6
106.98102	2.9
107.01354	0.5
109.02949	0.6
113.02424	1.1
122.03676	0.5
122.97591	5.4
123.00883	0.6
123.04506	0.8
124.01652	0.7
125.02454	5.2
127.04002	0.8
134.97601	4.2
136.99106	1.3
137.02417	0.7
139.04044	0.8
146.97522	0.5
148.99146	5.7
149.02386	0.6
151.00354	0.4
152.98633	6.8
161.04492	0.9
164.98624	10.3
165.01918	0.7
165.13011	0.6
167.00198	0.6
168.00647	0.8
169.01355	0.7
182.99666	1.8
183.13927	4.8
184.14319	0.5
206.99695	2.8
225.00739	20.6
243.01740	2.0
289.07220	0.9
299.04367	2.2
317.05591	0.7
371.44153	0.5
483.19513	0.5
527.17981	100.0
528.18372	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08392	0.7
55.07892	0.8
55.43967	0.7
56.48302	0.8
57.03430	0.7
59.01381	5.6
67.83619	0.7
71.01372	3.9
73.02956	1.3
85.02943	1.5
87.26528	0.8
89.02460	2.1
95.05077	0.8
101.02453	3.2
111.08145	8.6
149.09723	1.1
161.04529	1.2
167.10797	1.9
177.12865	2.5
179.10780	2.2
195.13853	4.8
209.37634	0.8
247.20610	2.3
253.09256	15.9
291.19650	100.0
292.20035	6.7
417.48981	0.8
458.43967	0.9
527.28888	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	528.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99371	1.1
56.40922	1.1
57.03457	7.8
59.01368	1.6
61.05919	1.2
61.98830	82.6
65.00303	1.2
66.17642	1.4
68.39172	1.1
69.17829	2.4
69.18243	10.0
71.01357	1.5
73.09074	1.0
83.01360	2.2
93.03470	1.3
95.01394	3.1
95.42844	1.1
107.01393	2.6
109.02950	2.4
110.92043	1.1
113.84163	1.1
116.92843	1.8
121.02944	1.7
123.00864	1.8
123.04459	2.0
124.01639	3.9
125.02449	70.3
126.02792	1.9
137.02440	3.0
143.44269	1.3
146.06042	1.2
149.02414	3.6
150.03188	1.7
151.00351	11.6
151.03972	4.1
152.01141	9.4
153.01958	6.7
161.06142	1.0
163.00346	1.8
165.01892	1.3
169.01390	1.2
170.15134	1.1
175.03995	3.6
177.01909	3.3
178.99828	6.8
187.03970	1.0
188.04823	1.7
189.05626	2.2
191.03523	2.7
193.05048	1.7
199.03909	1.5
208.61282	1.4
217.05051	7.9
241.05164	2.2
259.06039	8.7
272.53549	1.3
275.05609	8.0
285.04025	21.2
286.04269	1.4
303.05148	7.1
421.11212	1.3
437.10864	12.4
438.11072	2.1
447.09311	6.3
465.10373	100.0
466.10681	10.1
528.18591	2.2
529.19012	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	528.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79211	1.2
57.03444	6.1
59.01371	1.6
61.98830	73.8
65.00323	1.7
70.59604	1.0
71.01378	1.3
73.79057	1.4
74.56675	0.9
75.00903	1.2
83.01387	3.1
93.03452	1.0
95.01373	2.6
100.56210	0.9
101.24059	0.9
101.96281	1.0
107.01387	2.1
109.02946	2.3
111.00843	1.1
116.01355	1.0
116.92883	1.7
123.00903	2.5
123.04505	2.8
124.01627	4.6
125.02446	64.5
126.02786	1.9
137.02438	2.5
140.03479	1.1
149.02426	3.8
150.03233	3.3
151.00374	9.3
151.03963	3.5
152.01155	10.2
153.01903	5.6
161.02388	0.9
171.04385	1.0
175.03952	4.5
176.07254	0.9
177.01935	2.1
178.99864	4.7
181.01329	1.1
189.05547	2.7
191.03471	1.3
193.05019	2.1
217.04967	5.2
231.06477	1.6
241.04974	1.7
259.06091	7.5
274.04910	1.7
275.05573	7.2
285.04031	18.8
303.05115	8.3
364.07706	1.1
421.11353	1.6
434.18109	1.0
437.10809	11.6
447.09207	5.8
465.10355	100.0
466.10629	8.0
528.19122	3.1
529.20203	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	526.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02546	0.4
59.01368	2.1
60.02989	0.3
61.98829	100.0
63.64799	0.4
65.62672	0.4
69.35783	1.6
69.36209	1.8
71.01380	1.8
73.02948	0.8
80.10469	0.4
83.01392	0.5
83.08729	0.4
85.02959	0.8
89.02452	1.0
93.03503	0.6
98.19861	0.8
101.02423	0.7
108.02160	0.7
109.02976	1.6
113.02473	0.9
121.03012	1.0
123.00883	0.4
123.04514	2.4
125.02456	1.9
129.80612	0.5
134.05998	0.6
135.04486	0.8
137.02457	1.2
144.04480	0.4
149.02449	1.6
150.02824	0.4
151.00449	0.5
151.04024	0.9
152.01225	0.5
155.03526	0.4
161.04642	0.9
163.03990	0.6
166.06387	1.7
168.00606	0.7
169.01468	1.0
175.54013	0.4
176.07089	0.4
179.03482	0.9
181.08780	1.1
188.24084	0.5
205.05188	0.5
230.08432	0.7
343.12485	0.5
344.12170	1.0
382.12988	0.7
466.24130	1.4
482.18512	1.6
508.20844	0.6
525.35443	0.6
526.17407	3.9
526.24823	4.1
526.35828	0.9
527.17963	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	526.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02546	0.4
59.01368	2.1
60.02989	0.3
61.98829	100.0
63.64799	0.4
65.62672	0.4
69.35783	1.6
69.36209	1.8
71.01380	1.8
73.02948	0.8
80.10469	0.4
83.01392	0.5
83.08729	0.4
85.02959	0.8
89.02452	1.0
93.03503	0.6
98.19861	0.8
101.02423	0.7
108.02160	0.7
109.02976	1.6
113.02473	0.9
121.03012	1.0
123.00883	0.4
123.04514	2.4
125.02456	1.9
129.80612	0.5
134.05998	0.6
135.04486	0.8
137.02457	1.2
144.04480	0.4
149.02449	1.6
150.02824	0.4
151.00449	0.5
151.04024	0.9
152.01225	0.5
155.03526	0.4
161.04642	0.9
163.03990	0.6
166.06387	1.7
168.00606	0.7
169.01468	1.0
175.54013	0.4
176.07089	0.4
179.03482	0.9
181.08780	1.1
188.24084	0.5
205.05188	0.5
230.08432	0.7
343.12485	0.5
344.12170	1.0
382.12988	0.7
466.24130	1.4
482.18512	1.6
508.20844	0.6
525.35443	0.6
526.17407	3.9
526.24823	4.1
526.35828	0.9
527.17963	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	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26658	2.0
59.01365	6.7
61.98830	100.0
64.70177	1.7
70.11549	8.3
71.01363	4.5
71.09443	1.9
72.16171	1.8
85.02964	1.9
86.26837	1.7
98.20674	2.3
99.62197	1.6
101.02428	2.7
108.02189	4.6
109.02952	3.3
113.02406	2.1
121.02941	4.8
125.02435	3.5
125.51828	1.9
137.02423	2.7
152.01105	3.2
156.50081	1.9
165.12819	3.7
175.04024	2.3
182.06100	2.6
183.13893	35.3
213.08505	2.2
229.14528	2.1
257.07571	1.8
288.07544	1.9
330.45517	1.9
401.13391	3.8
463.21851	45.1
464.22540	3.4
467.24640	2.4
494.19269	1.8
526.19836	5.5
526.27820	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55758	0.3
57.71702	0.3
61.98828	100.0
62.29420	0.3
69.18583	2.1
69.19005	0.7
72.99303	0.4
88.98822	0.3
97.51630	0.3
111.04574	0.3
127.03996	0.5
134.07831	0.3
148.18658	0.3
155.03510	0.4
161.02426	0.6
168.08290	0.4
169.01396	0.3
180.79333	0.3
199.02571	0.4
463.08234	0.4
483.87668	0.3
526.16394	0.4
527.17786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03614	2.1
53.04052	1.9
59.01364	4.3
61.98829	100.0
69.15132	20.4
71.01376	3.6
78.95874	2.0
89.02455	2.4
92.10593	1.8
95.83453	1.9
98.19884	5.2
101.02411	4.0
117.53821	2.1
165.12837	4.5
183.13893	39.5
312.44379	2.1
329.04834	2.2
350.02487	2.2
362.25769	2.6
463.21814	60.4
464.22198	4.8
526.22412	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	525.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97029	0.4
57.03456	2.7
59.01374	7.1
61.98829	1.7
69.94737	1.0
69.95130	1.0
71.01376	4.7
72.99304	1.0
73.02946	0.9
85.02942	1.5
89.02440	2.6
93.03456	27.0
94.03808	0.5
95.01408	1.1
98.20578	0.5
101.02471	2.7
107.05016	1.1
109.02956	0.6
109.54444	0.5
113.02442	2.2
121.02972	1.0
125.02441	0.6
135.04561	1.1
136.01659	7.7
137.02441	72.1
138.02798	2.4
147.04431	0.5
149.02478	1.4
151.04024	3.8
179.03493	33.9
180.03908	1.2
209.04515	3.4
221.04500	0.6
237.77658	0.4
239.05591	18.0
240.05873	0.8
281.06766	0.7
299.07605	0.7
468.82574	0.6
525.23389	100.0
526.23712	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	525.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92627	0.8
56.62512	1.2
57.03431	1.2
59.01370	7.3
60.41956	0.9
61.98526	1.6
61.98829	17.3
65.58015	1.0
71.01366	4.1
71.51607	1.2
73.02936	3.0
83.01376	1.5
91.90707	1.1
95.05024	1.5
99.08218	1.0
101.02423	2.8
108.02138	1.4
113.02409	1.9
119.08591	1.7
121.02989	1.3
122.03693	1.4
123.00803	1.4
123.04523	100.0
124.04814	1.6
125.02416	2.9
137.02441	1.4
153.05574	80.6
154.05907	1.9
165.12851	6.6
180.30853	0.9
183.13873	18.6
207.13855	2.9
221.15498	2.4
227.12892	13.1
231.13841	2.0
233.11899	1.8
237.14853	1.2
249.14839	1.5
251.12930	7.2
265.14453	5.1
269.13889	1.5
275.12802	3.6
289.07144	1.1
289.18051	1.8
293.13947	23.2
315.10718	1.5
371.17041	9.6
372.17090	1.5
525.23315	41.5
526.23889	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
59.24391	0.6
61.98828	3.6
67.12447	0.6
69.56829	4.3
69.63660	0.5
71.01367	2.5
73.02920	1.0
81.03449	1.1
85.02953	4.1
93.03455	0.6
95.01380	2.7
97.02942	0.8
101.02441	1.5
108.02172	72.1
109.02963	42.2
110.03271	1.0
110.71295	0.6
111.08157	0.8
113.02412	0.8
123.00877	2.4
123.04491	0.8
125.02440	0.8
151.04010	1.2
152.01151	66.9
153.01942	22.2
163.03954	1.4
165.01927	1.2
165.12865	3.5
183.13902	8.8
184.14236	1.0
187.84230	0.6
209.11833	0.9
217.06563	12.3
218.06920	0.8
227.12895	0.7
287.31720	0.6
293.13828	1.1
315.07205	3.1
403.87622	0.7
481.20575	5.1
507.18774	7.8
508.18988	1.2
525.19727	100.0
526.20013	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	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49838	0.7
56.91799	0.8
59.01378	1.7
61.98824	8.0
70.65775	1.1
70.66118	1.7
71.01385	0.7
75.00875	10.8
78.91881	7.4
93.03461	2.0
96.95964	0.8
101.02417	1.2
107.05058	0.9
108.02213	1.2
109.02906	1.0
121.02973	6.2
122.03741	12.1
125.02467	1.6
134.03741	19.2
135.04564	7.9
137.02455	5.1
137.06122	1.2
138.02875	1.2
146.03720	18.3
147.04485	1.5
149.02466	1.8
149.06079	27.8
150.03236	6.5
150.06389	1.1
161.06071	9.2
162.03207	1.4
163.03969	1.0
164.04785	8.9
165.05569	30.3
166.06352	12.5
167.07129	100.0
168.07495	2.8
169.01404	1.1
177.05527	1.2
179.07129	54.2
180.07512	2.3
193.08710	2.0
195.06615	1.6
217.03323	0.9
221.08159	10.0
239.09232	2.4
315.12350	18.7
316.12921	1.6
327.12360	6.9
329.12692	0.9
339.41681	0.8
345.13452	7.2
363.14468	10.8
496.14508	0.9
525.33240	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
59.46114	0.6
61.98827	1.5
69.57394	2.5
69.57810	1.6
71.01379	0.7
71.57565	0.5
75.00872	6.1
88.35308	0.6
93.03427	1.0
108.02173	1.3
109.02958	0.9
121.02950	5.9
122.03759	9.4
123.00895	0.6
123.04470	1.2
124.01666	1.5
125.02443	3.6
133.02855	0.8
134.03743	28.0
135.04546	8.1
137.02458	2.4
137.06129	1.0
146.03734	17.4
147.04318	0.7
149.02411	1.5
149.06079	41.6
149.99597	1.1
150.03210	3.8
150.06406	1.2
161.06088	9.3
162.03221	2.9
164.04808	9.0
165.05565	29.0
166.06354	12.1
167.07130	100.0
168.00648	3.5
168.07477	4.0
169.01389	1.0
177.05569	2.1
179.07133	50.8
180.07431	1.9
190.66360	0.8
193.08727	1.8
195.06633	1.1
221.08194	9.2
239.09216	1.2
269.52234	0.7
271.91815	0.6
315.12366	33.4
316.12732	1.9
327.12305	6.4
329.12509	1.9
336.90384	0.6
345.13428	6.3
349.69241	0.7
363.14508	8.0
364.14880	0.9
525.11987	4.6
525.33356	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	524.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74334	0.1
56.85917	0.1
59.01383	0.2
61.98829	100.0
64.03341	0.1
65.26379	0.1
69.66813	0.7
71.01413	0.2
77.30343	0.1
83.01375	0.1
101.02450	0.1
109.02969	0.2
111.69853	0.2
123.04594	0.2
125.02418	0.2
129.80243	0.1
132.98457	0.2
137.02417	0.3
145.06366	0.1
173.61897	0.1
193.06638	0.5
194.06865	0.3
226.56133	0.2
372.15314	0.2
488.16214	0.3
524.19507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.7
60.99004	1.0
60.99307	15.4
61.98830	9.3
65.00306	0.7
69.03427	0.8
69.37826	5.5
71.01376	5.7
72.50264	0.7
72.99309	1.7
73.02934	3.3
75.00880	1.6
80.91678	4.1
83.01386	0.9
85.02960	3.6
87.00875	2.5
88.98804	100.0
89.02430	2.4
89.99169	0.7
93.03467	1.6
96.95994	1.1
97.02963	1.9
101.02446	5.6
103.03989	1.7
107.01380	2.3
108.02172	1.2
109.02989	1.4
113.02437	1.0
115.04006	1.5
119.03518	1.1
120.01283	0.7
121.02950	3.2
123.00889	1.8
123.04531	2.9
124.01652	3.2
125.02480	4.2
127.03994	1.9
131.03517	0.8
137.02446	4.2
138.03220	1.5
139.00386	1.2
139.04018	7.8
143.03496	1.8
149.02420	2.3
150.03207	6.1
151.00377	8.7
151.03976	2.9
152.01132	2.7
153.05600	1.6
155.03490	1.7
163.03964	0.9
163.06120	3.2
164.04753	1.1
165.01923	11.7
165.05592	2.9
166.99908	0.9
167.03473	4.4
167.07147	1.5
168.00645	6.0
169.01349	1.6
179.03485	1.0
180.04414	0.9
181.01440	0.9
181.05037	0.9
182.02242	1.5
183.02969	6.4
183.06581	0.8
195.06612	2.1
197.04478	3.4
198.95828	5.5
205.07172	2.5
211.06152	0.9
217.03493	1.5
237.61937	0.8
281.06577	0.8
285.04001	5.1
296.05344	0.9
303.05127	2.4
303.30975	0.8
311.07761	3.8
341.08908	4.6
345.08176	4.7
435.09192	7.2
438.72256	0.8
467.15585	3.3
477.14047	5.2
525.08093	7.2
525.16223	2.7
525.29138	1.0
537.80261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98829	100.0
71.01390	0.3
71.51644	0.3
75.00868	0.8
79.42583	0.3
85.02991	0.4
88.98824	0.7
89.02433	0.3
125.02475	0.4
139.04019	0.3
146.03754	0.5
149.06163	0.4
165.01947	0.5
167.03555	0.4
167.07135	0.4
179.07162	0.8
318.21570	0.2
476.55548	0.3
523.31580	0.6
524.31946	0.4
525.16461	0.3
525.33063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
80.91710	0.4
83.21092	0.2
85.02984	0.3
88.98819	0.8
108.46412	0.3
117.50680	0.3
121.02946	0.3
123.04490	0.7
134.03792	0.3
153.05626	1.4
195.53439	0.2
195.71817	0.2
222.32484	0.3
301.11575	0.3
314.78320	0.3
400.63907	0.3
420.13239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03449	3.5
59.01379	14.2
61.98828	100.0
71.01379	21.7
72.99313	1.4
73.02940	8.2
75.00877	1.3
81.03457	0.6
83.01385	5.5
85.02946	12.8
85.06575	0.8
86.00089	0.4
87.00879	1.9
87.15863	0.4
88.98817	1.6
89.02444	4.2
95.01364	1.9
97.02956	0.6
99.00887	3.1
101.02437	17.7
108.02200	0.6
109.02930	0.9
111.00880	3.3
111.04492	0.4
113.02451	7.6
119.03538	1.2
121.02952	0.9
123.00950	0.5
123.04591	0.5
124.01585	0.4
125.02461	2.2
127.04040	1.0
129.01947	0.6
131.03497	0.4
134.03853	0.4
135.04549	0.6
136.88684	0.4
137.02458	1.8
141.01878	0.5
143.03488	0.6
143.10776	1.7
151.03967	0.8
155.03423	0.5
159.02980	2.2
161.02396	0.9
161.04570	3.8
166.05074	2.9
166.06377	2.0
169.01349	0.6
177.01878	0.7
180.22563	0.4
181.08693	0.9
209.11771	1.2
229.18073	1.8
236.01707	0.4
315.25363	1.2
343.28238	0.5
361.29599	11.1
362.29800	1.0
373.16470	1.0
375.27402	1.0
460.14554	0.8
461.14523	0.5
523.23798	3.1
523.34839	88.6
524.22845	0.5
524.35144	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03449	3.5
59.01379	14.2
61.98828	100.0
71.01379	21.7
72.99313	1.4
73.02940	8.2
75.00877	1.3
81.03457	0.6
83.01385	5.5
85.02946	12.8
85.06575	0.8
86.00089	0.4
87.00879	1.9
87.15863	0.4
88.98817	1.6
89.02444	4.2
95.01364	1.9
97.02956	0.6
99.00887	3.1
101.02437	17.7
108.02200	0.6
109.02930	0.9
111.00880	3.3
111.04492	0.4
113.02451	7.6
119.03538	1.2
121.02952	0.9
123.00950	0.5
123.04591	0.5
124.01585	0.4
125.02461	2.2
127.04040	1.0
129.01947	0.6
131.03497	0.4
134.03853	0.4
135.04549	0.6
136.88684	0.4
137.02458	1.8
141.01878	0.5
143.03488	0.6
143.10776	1.7
151.03967	0.8
155.03423	0.5
159.02980	2.2
161.02396	0.9
161.04570	3.8
166.05074	2.9
166.06377	2.0
169.01349	0.6
177.01878	0.7
180.22563	0.4
181.08693	0.9
209.11771	1.2
229.18073	1.8
236.01707	0.4
315.25363	1.2
343.28238	0.5
361.29599	11.1
362.29800	1.0
373.16470	1.0
375.27402	1.0
460.14554	0.8
461.14523	0.5
523.23798	3.1
523.34839	88.6
524.22845	0.5
524.35144	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	523.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37177	0.5
59.01379	1.6
62.26199	0.6
71.50785	0.8
78.95905	28.1
91.25772	0.6
96.96070	0.6
96.96946	1.2
113.09727	3.2
121.15987	0.6
128.77638	0.6
152.99583	43.3
161.02412	1.1
171.00652	2.6
177.12886	1.2
179.14447	1.1
195.13893	21.6
196.14224	1.1
227.03310	4.4
245.04361	1.1
277.21710	16.5
278.22098	1.0
295.22775	88.0
296.23093	5.8
331.91681	0.6
416.42108	0.6
431.21964	1.9
523.26752	100.0
524.27087	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	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
55.86599	0.5
57.03440	3.4
58.00592	1.1
59.01380	29.1
59.13154	0.4
61.98828	16.3
67.45193	0.5
69.03439	0.6
71.01382	35.6
72.01726	0.6
72.99315	2.4
73.02948	9.6
75.00869	1.4
77.19577	0.5
83.01380	4.3
84.02175	0.6
85.02953	16.1
85.06625	0.6
87.00876	1.6
89.02447	13.4
95.01389	2.9
96.96003	2.0
97.02972	0.9
99.00880	3.6
101.02442	21.4
109.02950	0.9
111.00891	2.0
113.02450	14.3
119.03510	4.4
123.04542	0.6
125.02455	1.7
127.04020	0.6
129.01918	0.8
131.03453	0.8
137.02417	0.6
143.03497	1.4
143.10802	0.8
151.00395	2.0
151.04018	0.5
155.03519	0.6
156.07117	0.6
159.02965	2.6
161.04572	8.6
169.01428	0.5
179.05620	1.2
181.05092	0.5
192.10738	0.6
209.11775	2.9
229.18182	1.4
250.98210	0.5
285.04123	1.1
287.24777	0.5
304.88495	0.5
315.25372	1.1
361.29620	16.7
362.30118	1.4
372.08859	0.5
449.11069	1.1
513.93054	0.6
523.34851	100.0
524.35229	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.4
59.01378	23.2
61.98829	22.2
67.01857	3.6
70.81042	7.6
70.81397	5.7
71.01381	34.8
73.02946	11.2
75.00877	5.7
83.01416	9.8
83.05075	3.6
85.02966	14.6
87.00850	4.1
89.02457	11.8
93.77583	3.4
97.02968	5.7
99.00894	6.7
101.02477	15.4
107.01328	3.3
107.05020	6.2
108.02176	19.9
109.02954	39.4
110.53294	3.1
113.02452	14.3
121.02988	7.6
123.00929	4.7
123.04533	27.7
125.02467	27.5
133.02950	5.0
135.04486	3.7
136.01677	6.0
137.02409	18.3
141.53180	4.8
146.03770	5.4
149.02463	10.5
149.06044	4.8
150.03259	6.1
151.03987	47.7
152.01160	10.8
153.01956	7.0
153.05519	6.2
159.02911	5.0
159.04422	7.9
161.02493	7.3
161.04572	15.6
161.05997	7.7
163.03986	17.1
164.04778	7.2
175.03976	28.6
177.01939	18.9
177.05583	3.9
179.03641	4.2
179.07135	10.7
181.05055	18.3
181.97121	5.4
182.05862	7.9
183.06741	6.6
187.04015	19.7
187.07538	4.2
189.01979	13.8
189.05460	4.0
191.03465	4.6
191.07205	4.5
193.05090	5.4
197.22771	3.4
205.05028	5.9
205.08752	5.7
215.03482	4.6
219.03156	4.3
219.06607	4.4
223.09694	7.5
229.05013	16.6
229.08704	9.1
231.06592	9.8
243.02921	4.9
249.11134	4.2
255.02937	12.8
256.03677	7.1
262.36566	4.2
263.11249	4.0
269.01883	3.9
273.04193	8.1
273.11307	10.6
275.09171	7.5
281.04504	11.6
283.09601	5.2
309.07855	5.1
330.14188	4.6
331.17639	12.4
339.08829	20.4
341.06812	5.9
347.44229	3.9
353.10419	6.5
359.68372	4.6
371.11279	33.9
372.11838	9.6
381.09851	9.6
407.07748	67.9
408.08047	8.1
461.12354	13.0
463.21838	99.8
464.21997	11.2
479.17261	6.0
505.15018	100.0
506.15442	13.5
522.59821	4.2
523.16248	86.0
523.34937	4.8
524.16418	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	523.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03441	1.7
58.00576	0.8
58.89610	0.6
59.01376	23.9
61.98815	1.3
70.71962	1.8
70.72319	0.6
71.01376	19.9
72.99278	1.4
73.02931	5.3
75.00860	2.3
80.22791	0.6
83.01405	3.2
85.02944	8.8
86.00131	0.7
87.00867	2.2
88.98804	1.7
89.02431	8.9
93.03465	1.6
95.01379	2.1
96.95977	1.6
97.02954	0.6
99.00878	1.7
101.02438	14.3
108.02159	1.3
109.02940	6.2
111.00852	0.9
113.02429	6.5
115.26237	0.6
119.03486	4.1
119.05005	1.0
121.02938	12.6
122.03743	12.4
123.04560	3.0
123.18651	0.6
124.01658	1.3
125.02429	1.8
129.03465	1.5
134.03778	0.7
135.04533	3.1
135.62021	0.7
136.05280	1.5
137.02399	3.1
147.04523	7.8
148.05235	1.1
149.02419	0.6
149.06056	1.2
151.03964	1.8
154.02725	1.3
159.03110	0.6
159.04596	0.6
161.04712	1.2
161.06044	2.8
162.06860	1.0
162.87471	0.6
164.04782	1.1
165.05560	27.8
166.05905	1.0
173.06006	1.0
174.06900	0.9
174.89108	0.6
175.03854	0.7
175.07620	1.3
179.05655	0.7
179.07114	8.5
191.07129	1.8
209.08350	0.9
209.11804	5.0
223.09662	0.9
227.12811	0.8
298.12125	1.7
299.12625	0.9
313.14401	2.0
315.12341	2.6
328.09305	0.6
328.13080	2.7
329.13724	1.0
331.15149	0.8
343.15414	5.8
346.14166	10.3
347.14749	2.5
361.16528	94.2
362.16882	8.3
371.10764	0.7
407.07379	1.5
505.14810	1.5
523.21808	100.0
524.15460	1.6
524.22247	12.1
524.30396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2184
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.13937	0.6
55.46237	0.6
59.01385	3.3
61.98830	1.9
71.01385	2.0
71.34203	0.6
71.51911	1.4
72.99271	0.8
75.00867	0.9
88.98798	1.8
89.02413	0.6
101.02408	0.9
108.02168	1.3
109.02937	1.5
113.02428	1.0
121.02974	2.0
122.03745	2.1
123.04504	1.4
125.02460	1.2
134.03783	0.9
135.04529	14.1
136.05229	0.6
137.02405	2.6
138.03168	0.7
145.02971	1.0
147.04533	1.0
149.06091	4.3
151.03957	1.5
152.01096	1.0
153.01959	1.4
161.06041	5.4
163.04007	4.3
163.11314	0.8
166.06377	1.3
167.07152	1.9
169.01453	1.1
179.03468	0.7
179.07123	4.4
180.07921	34.0
181.05000	1.4
181.08365	1.0
182.05846	3.2
190.06325	2.3
191.07077	2.2
192.07945	7.0
193.05023	1.1
193.08646	2.4
194.05838	9.6
194.09332	0.9
194.58871	0.6
195.06590	4.6
195.10258	1.3
207.10321	1.3
209.08119	1.6
210.08965	1.1
212.06921	6.6
218.23784	0.6
223.09679	0.8
226.08453	2.1
242.07986	0.7
282.09103	0.7
285.11203	1.2
295.09821	0.8
297.11261	2.1
313.10831	5.4
315.26422	0.7
316.13162	4.1
328.13184	10.3
331.15439	15.1
332.15851	1.9
343.15536	8.9
346.13766	0.8
361.16559	100.0
362.16846	10.1
387.16653	1.2
494.61197	0.8
510.77625	0.7
523.18268	3.5
523.27222	0.7
523.35004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2184
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01360	0.9
61.98827	4.8
70.26483	1.9
71.01378	1.1
73.02905	0.6
85.02975	0.6
93.03437	1.6
96.58266	0.6
101.02441	0.8
106.28692	0.7
109.02954	4.5
114.02740	0.5
121.02187	0.5
121.02943	11.1
122.03735	12.8
123.04497	2.3
124.01599	0.8
134.03745	1.2
135.04514	2.4
136.05316	1.0
137.02449	1.7
147.04521	5.7
148.05292	0.9
149.06087	1.1
154.02725	1.2
161.06053	1.8
163.03963	1.0
165.05559	23.7
166.05879	0.9
170.71913	0.6
179.07124	8.1
180.07921	0.6
223.09785	0.8
264.05890	0.6
303.56369	0.7
313.14508	1.9
315.12433	2.5
316.13208	0.6
316.82678	0.6
331.15405	1.0
343.15244	1.0
346.14166	8.8
347.05142	0.6
361.16556	100.0
362.16937	8.8
479.18106	1.9
523.16803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	1.0
61.98829	3.0
69.37701	2.5
71.01390	0.9
77.44141	0.3
79.87332	0.3
83.01416	0.5
85.02947	0.8
88.98803	0.8
101.02437	0.7
109.02973	1.3
113.02459	0.8
113.17239	0.4
119.05021	0.6
121.02944	0.4
123.00871	0.3
123.04494	0.6
125.02480	1.2
127.04028	0.5
131.05092	0.4
137.02396	1.9
140.03250	0.4
151.04042	1.4
155.03525	0.6
159.04396	0.4
161.02379	0.6
163.04051	0.7
175.04010	0.7
187.03906	0.7
191.03571	0.8
229.05005	0.4
229.08485	0.4
241.05095	0.4
256.03879	0.5
269.63513	0.3
338.09393	0.4
339.08682	0.7
345.53461	0.4
369.86945	0.5
371.11224	0.7
407.07498	2.1
460.13513	0.5
461.12289	0.5
489.20236	0.4
505.15018	2.9
523.22241	1.8
523.34662	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2185
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01874	1.7
57.03448	1.4
57.71805	0.6
58.00593	1.8
59.01381	27.3
61.98812	2.1
67.59007	0.7
71.01379	18.3
71.17241	1.0
71.17562	0.7
72.99319	1.1
73.02950	5.0
75.00872	2.3
81.03459	0.6
83.01395	4.2
85.02956	10.7
86.00119	0.8
87.00874	1.9
88.98796	2.4
89.02441	9.6
93.03452	1.4
95.01395	2.0
95.05074	0.7
96.96006	1.8
97.02937	0.8
99.00885	2.1
101.02449	14.0
108.02139	0.8
109.02963	7.8
111.00851	1.3
113.02452	6.3
119.03523	4.7
119.05013	0.7
121.02953	13.9
122.03748	14.2
123.04523	4.8
124.01648	1.5
125.02421	1.8
129.03447	1.3
135.04529	2.3
136.05290	1.8
137.02432	3.6
147.04541	8.1
148.05292	0.8
149.02423	0.7
149.06064	1.6
151.03905	1.6
154.02744	1.0
159.03040	0.8
161.04689	1.1
161.06081	3.9
162.06848	1.1
163.11185	0.7
164.04826	0.9
165.05569	27.3
173.06030	0.8
175.03990	1.1
175.07597	1.2
179.07130	7.7
184.54649	0.7
190.06310	0.7
191.07155	2.1
205.04997	0.7
205.08707	0.7
209.08234	1.0
209.11824	2.5
223.09695	1.2
253.09158	0.7
262.55618	0.7
283.09763	0.9
298.12027	2.4
313.14404	2.4
315.12308	2.7
328.13104	2.5
329.13992	1.5
343.15515	6.0
346.14191	10.7
347.14886	3.2
361.16556	98.8
362.16949	7.6
391.23334	0.8
407.07828	1.8
505.15079	2.3
523.21857	100.0
524.15405	1.6
524.22186	13.8
524.90887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
57.03426	1.6
59.01382	6.7
60.01672	0.9
61.98538	1.2
61.98830	18.9
69.03444	1.3
69.36585	1.1
71.01389	10.1
71.52787	1.5
72.99292	1.0
73.02928	3.6
75.00832	0.9
78.80203	0.8
78.98586	5.1
79.95737	8.5
80.96516	56.3
81.03450	2.2
83.01376	1.5
85.02935	4.5
87.00870	2.4
88.98824	0.9
89.02422	2.2
93.03435	3.3
93.19107	0.9
94.98087	12.4
95.01334	0.9
96.96005	1.6
97.02927	1.9
99.00876	1.9
101.02441	6.1
106.98080	1.7
108.02180	1.6
109.02934	3.4
111.04472	1.5
113.02442	2.3
114.93932	0.9
117.03600	0.9
121.02907	1.1
122.97590	6.0
123.00884	1.2
123.04498	2.0
125.02427	8.5
125.06055	1.1
127.03972	4.0
134.97548	3.5
135.04330	0.9
136.99133	1.1
137.02391	3.5
145.03038	1.0
148.99117	5.8
149.02419	1.4
151.00294	1.4
151.03989	1.7
152.01073	1.1
152.98663	5.8
153.01909	1.5
155.03462	3.4
159.04454	0.9
161.02364	1.7
164.98621	11.0
165.01906	1.4
169.01382	2.0
182.99623	2.4
189.05540	1.2
194.08025	1.1
195.13713	1.0
199.02461	1.4
203.07253	1.3
206.99625	3.2
223.13335	2.8
225.00754	16.4
232.11066	1.0
243.01755	2.2
289.07263	1.9
299.04269	3.2
369.12952	1.1
399.88721	0.9
431.26355	2.3
449.27393	2.5
487.14523	1.7
505.14871	1.2
523.18341	100.0
523.34363	6.1
524.18744	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	523.2182
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01871	0.7
57.03440	0.7
58.00601	0.2
59.01376	3.3
61.98824	1.9
64.64029	0.1
65.00333	0.3
67.01566	0.2
67.01880	1.0
68.99812	0.2
69.03463	0.6
69.19320	1.1
69.19747	0.6
71.01382	3.8
72.99297	0.8
73.02941	1.3
75.00878	0.2
79.01898	1.2
81.03442	0.3
82.00592	0.2
83.01377	1.2
83.04986	0.2
85.02953	2.2
87.00877	0.7
89.02440	0.7
95.01379	2.1
96.99320	0.2
97.02949	0.7
99.00822	0.4
101.02438	2.7
103.10723	0.2
107.01388	4.5
108.02180	0.3
109.02970	0.4
110.00084	0.5
111.00869	2.4
113.02454	1.2
119.03520	0.2
121.02959	0.4
123.00880	14.9
124.01739	1.0
125.02443	16.8
126.02774	0.4
127.00381	0.9
135.04440	0.2
136.98830	1.4
137.02446	0.9
139.00375	5.3
140.01163	3.3
141.01933	1.7
142.02243	0.2
146.03583	0.2
151.00363	11.6
151.03967	0.4
152.00789	0.3
153.01970	0.8
154.99811	0.2
161.04507	0.4
163.04015	0.5
165.05566	0.2
166.02660	0.3
167.03531	0.2
168.00635	3.6
169.01414	22.2
170.01689	0.7
175.04053	0.2
177.04039	0.5
179.03461	0.3
181.05060	0.7
195.03027	0.3
209.04492	0.3
209.15434	0.5
211.02515	1.0
219.22636	0.2
223.02313	0.2
241.05063	0.6
245.23483	0.2
253.03491	0.3
271.04541	0.9
313.05646	1.0
361.29453	0.4
494.64893	0.2
523.21814	100.0
524.22162	11.8
524.35089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16506	0.9
59.01358	1.0
60.99305	15.3
61.98833	4.6
64.54664	0.8
65.05473	0.9
71.01376	0.9
71.19592	1.0
71.19938	1.0
75.00849	1.3
85.02985	1.1
88.98804	100.0
101.02349	0.7
116.92881	1.1
117.05602	0.8
127.03984	0.9
138.06041	0.9
201.48717	0.8
268.48828	0.8
307.74890	0.8
433.13513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68958	0.4
55.01877	1.5
57.03460	2.2
59.01379	9.5
60.99298	2.0
61.98828	100.0
71.01382	13.4
71.51212	0.5
71.51560	0.5
72.99321	0.7
73.02953	5.1
75.00880	0.8
79.97232	0.4
83.01389	2.9
85.02952	7.6
87.00863	0.8
88.98804	16.8
89.02439	4.5
95.01402	1.6
96.95992	0.5
98.44157	0.4
99.00883	1.7
101.02447	12.1
108.02204	0.6
109.02967	0.9
111.00896	2.2
111.04501	0.5
113.02450	6.9
119.03504	1.4
121.02948	2.2
123.00864	0.7
123.04535	0.5
125.02491	2.1
127.04028	0.7
129.01918	0.7
135.04555	0.6
137.02478	1.0
143.10793	0.7
146.03798	0.5
151.03963	0.6
151.51541	0.4
152.01218	0.9
155.03534	0.6
159.03008	1.1
161.02563	0.5
161.04520	2.8
166.05083	2.6
166.06363	6.2
169.01454	0.7
177.01918	0.6
179.05602	0.7
181.08723	3.4
199.02461	1.1
209.11859	1.0
229.18228	0.4
270.12820	0.5
285.60254	0.4
304.15887	0.4
361.29642	6.2
375.27167	0.7
397.08774	0.5
422.95517	0.5
433.10919	0.5
460.14713	1.2
522.33716	2.1
523.21973	4.2
523.34845	54.1
524.35114	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	523.1766
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
58.24204	2.0
71.51612	2.0
78.95901	70.8
91.27596	1.9
92.99361	1.7
95.23859	1.6
99.92560	14.9
102.84245	1.9
110.98522	12.7
115.92078	22.0
116.92849	18.0
136.80545	2.2
164.99579	2.1
175.44933	1.7
178.87347	1.5
178.88451	16.5
179.89223	33.7
180.90047	12.3
181.90747	2.5
193.90755	42.7
194.87944	2.1
194.91559	22.5
196.89470	49.6
236.92580	2.0
248.92531	4.1
255.23302	5.1
266.93643	4.1
298.92261	2.0
300.73486	2.1
411.18594	5.0
475.15512	3.2
523.17700	100.0
524.17853	14.6
528.61578	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	523.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
59.01382	21.6
59.97470	1.6
60.01709	2.6
60.99301	14.0
61.98831	68.0
67.01868	1.7
67.99607	1.9
70.80121	4.0
70.80473	2.4
71.01377	16.2
72.99326	2.1
73.02928	3.5
78.60072	1.7
80.37347	1.7
83.01396	4.5
85.02946	6.2
86.06009	1.9
87.00893	2.1
87.69044	1.7
88.98808	75.7
89.02456	6.1
93.56881	1.6
95.01409	3.9
101.02424	12.4
101.86400	1.8
107.01377	7.9
109.02975	4.3
111.00880	6.2
111.04565	3.4
113.02452	7.4
119.04981	1.9
121.02977	10.2
123.00880	14.3
123.04533	2.9
124.01703	2.7
125.02461	43.9
126.02797	12.2
127.00346	2.2
127.02962	3.1
127.04025	3.3
136.98833	3.4
137.02454	17.4
139.00356	9.0
140.01125	5.4
141.00810	1.7
141.01910	2.2
147.04477	2.5
151.00325	10.9
151.04008	2.7
152.00905	2.3
153.02058	1.9
155.03505	3.4
161.04555	3.5
165.02000	2.5
167.03520	2.0
167.07182	3.4
168.00635	16.7
169.01428	47.2
170.01801	17.7
171.01895	8.7
179.03560	2.6
193.01535	2.5
205.05055	2.1
211.02483	56.9
212.02829	39.0
213.02934	28.6
221.04613	2.9
271.04578	99.7
272.04932	100.0
273.05093	72.5
331.06775	11.7
332.07004	16.9
333.07269	16.0
361.29712	4.7
522.20599	4.6
522.33551	4.9
523.21570	70.1
523.34650	21.3
524.22137	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	523.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84307	1.4
54.23291	1.4
55.01860	1.7
56.07205	1.4
57.03439	2.2
59.01378	16.0
60.99305	18.2
61.98830	83.1
69.38715	11.8
71.01388	21.5
73.02938	5.0
83.01391	4.4
85.02942	8.2
88.98805	100.0
89.02442	8.1
93.63647	1.4
99.00895	2.4
101.02441	14.1
108.02151	3.2
109.02915	2.2
111.04420	1.9
111.51556	1.5
113.02448	8.8
114.02800	1.9
118.58420	1.4
119.03506	3.6
121.02963	5.3
125.02467	3.3
127.04023	3.2
128.38327	1.5
152.01163	4.5
161.04596	4.0
166.05090	3.1
166.06348	13.4
169.20406	1.6
181.08679	8.6
199.26312	1.5
236.87560	1.7
343.14096	1.8
361.29431	2.8
377.38474	1.6
506.44852	1.7
506.87085	1.5
522.33539	12.4
523.13953	3.3
523.21570	5.6
523.34747	36.4
543.89935	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	522.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98829	100.0
63.72600	0.3
70.64661	0.4
71.01386	0.8
83.01369	0.4
85.02968	0.4
87.04513	0.7
87.13659	0.3
90.58121	0.3
92.63403	0.3
94.88898	0.3
100.95406	0.4
101.02467	0.5
109.02992	0.8
123.04527	0.5
125.02448	1.6
137.02426	0.7
151.03947	0.5
153.01953	0.6
163.04018	0.6
172.76968	0.3
289.07138	0.7
379.69052	0.4
387.14572	1.1
428.88007	0.4
445.03015	0.4
463.25494	0.5
521.32721	0.4
522.33044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79123	0.6
55.01875	4.3
57.03445	5.0
58.00589	1.2
59.01378	18.3
69.03460	1.4
69.21048	6.0
71.01379	31.7
71.69702	0.5
72.99318	1.9
73.02947	12.2
74.09181	0.6
75.00881	0.5
83.01385	8.8
85.02946	18.8
86.00108	0.6
87.00878	2.2
89.02454	3.4
93.07101	0.9
95.01382	3.4
97.02950	1.0
99.00884	4.4
101.02438	24.8
107.01383	1.0
107.34824	0.6
111.00905	5.4
113.02446	11.5
119.03526	0.6
123.00900	1.1
123.04502	0.8
125.02431	5.5
129.01968	0.7
137.02411	1.1
139.00307	0.8
143.03496	1.5
143.10774	5.6
151.00331	0.7
153.05597	0.9
159.03012	3.1
161.04549	6.8
161.13304	1.4
168.00598	1.8
169.01413	5.6
175.46713	0.6
198.91211	0.5
199.18823	0.6
211.02444	9.0
222.37193	0.6
229.18074	1.9
231.21179	0.5
271.04572	13.0
271.07489	0.7
305.15991	2.9
331.06628	1.8
359.28006	7.6
367.10477	0.8
391.23355	5.7
461.30994	0.9
491.32101	1.8
503.32700	0.8
521.20288	8.9
521.33276	100.0
522.20709	1.3
522.33612	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	2.2
57.03445	3.4
58.00576	2.8
59.01377	100.0
60.51109	2.0
61.98826	47.1
69.03456	2.9
69.36462	12.1
71.01382	49.3
71.01778	2.6
72.99301	6.4
73.02943	18.9
83.01397	6.4
85.02948	15.6
87.00883	8.1
87.04508	4.0
88.98803	10.9
89.02443	39.8
95.01389	3.3
95.07022	1.8
99.00854	2.4
101.02439	60.9
103.04001	17.5
108.02154	7.2
109.02934	5.6
113.02455	13.5
115.04018	4.4
119.03498	21.1
121.02963	17.2
123.00873	2.0
123.04553	3.4
125.02388	8.7
130.90594	1.8
131.03496	9.4
137.02449	11.3
143.03497	14.3
144.04547	2.8
145.05080	6.9
146.06120	2.4
149.02440	4.6
150.03201	5.1
151.04060	2.5
152.01167	7.3
161.04533	4.1
163.04047	3.6
163.06111	62.8
165.01935	2.4
167.03535	4.0
172.27760	1.9
175.04012	2.1
179.05621	7.0
187.04010	11.9
189.01860	4.4
190.04953	1.9
205.05318	2.8
205.07185	28.8
211.03935	3.2
215.03552	4.9
229.05081	9.6
229.07051	1.9
255.02977	20.3
256.03589	3.6
257.04581	4.1
265.09271	5.1
273.03958	22.0
294.88159	2.2
315.07251	2.1
315.18216	4.6
461.23871	40.0
462.24088	2.1
477.17670	3.8
503.13403	10.5
521.15210	9.5
521.23181	4.1
521.33521	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79123	0.6
55.01875	4.3
57.03445	5.0
58.00589	1.2
59.01378	18.3
69.03460	1.4
69.21048	6.0
71.01379	31.7
71.69702	0.5
72.99318	1.9
73.02947	12.2
74.09181	0.6
75.00881	0.5
83.01385	8.8
85.02946	18.8
86.00108	0.6
87.00878	2.2
89.02454	3.4
93.07101	0.9
95.01382	3.4
97.02950	1.0
99.00884	4.4
101.02438	24.8
107.01383	1.0
107.34824	0.6
111.00905	5.4
113.02446	11.5
119.03526	0.6
123.00900	1.1
123.04502	0.8
125.02431	5.5
129.01968	0.7
137.02411	1.1
139.00307	0.8
143.03496	1.5
143.10774	5.6
151.00331	0.7
153.05597	0.9
159.03012	3.1
161.04549	6.8
161.13304	1.4
168.00598	1.8
169.01413	5.6
175.46713	0.6
198.91211	0.5
199.18823	0.6
211.02444	9.0
222.37193	0.6
229.18074	1.9
231.21179	0.5
271.04572	13.0
271.07489	0.7
305.15991	2.9
331.06628	1.8
359.28006	7.6
367.10477	0.8
391.23355	5.7
461.30994	0.9
491.32101	1.8
503.32700	0.8
521.20288	8.9
521.33276	100.0
522.20709	1.3
522.33612	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.252
Annotation	Cognatine
Peak:m/z	Relative Intensity
59.01366	1.8
60.45373	0.7
63.64253	0.8
71.01379	0.9
75.95918	0.8
78.91935	0.8
78.95902	35.4
83.20667	0.7
86.45713	0.8
95.10931	0.8
96.96953	3.8
114.01926	0.7
152.99582	49.7
155.10760	0.9
155.48581	0.8
171.00644	4.9
195.13885	16.0
196.14217	1.9
223.13416	8.4
227.03206	5.7
245.04314	2.6
256.13049	1.3
275.20148	4.8
277.21753	1.0
278.21890	1.2
293.21210	68.0
294.21497	5.2
295.22766	3.9
296.23080	6.4
347.36139	0.9
429.20230	2.1
452.18161	1.3
521.25073	100.0
522.25690	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	521.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.7
59.01378	100.0
61.98535	2.7
61.98829	30.3
69.40018	5.0
69.40424	12.1
71.01379	45.7
72.99309	8.0
73.02943	25.2
76.12004	1.9
79.23901	2.0
83.01385	6.4
85.02953	17.3
87.00896	10.5
87.04488	3.2
87.11557	1.8
89.02447	38.7
93.75903	2.6
98.19894	3.5
99.71407	2.3
101.02438	61.6
103.03994	19.1
108.02129	2.3
109.02923	4.2
113.02436	14.3
115.03951	5.4
116.92831	2.3
119.03490	15.2
122.14364	2.1
123.04545	10.4
125.02457	9.7
127.03896	2.2
131.03479	9.5
137.02444	9.9
143.03488	15.3
145.05035	7.1
146.06020	2.3
153.05557	9.3
161.04556	1.9
163.06125	76.6
165.01848	2.2
167.03482	4.9
167.10759	8.2
179.05573	4.5
187.04039	2.5
205.07129	23.2
211.71251	2.1
249.08763	2.5
255.02715	2.1
257.04422	2.0
265.09375	4.1
293.08725	2.4
308.88223	2.2
315.18130	7.2
392.16562	2.1
454.31744	2.3
461.23834	26.3
462.24374	2.8
498.58817	1.9
521.23682	4.5
521.25610	3.4
521.33020	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77663	0.3
54.16101	0.3
55.01854	0.3
56.10319	0.2
59.01102	0.5
59.01375	4.4
61.98829	3.1
62.67959	0.3
66.35701	0.3
67.01882	0.5
70.80378	0.4
70.80730	0.6
71.01375	3.0
72.99316	0.6
73.02919	0.5
79.01900	0.6
80.52448	0.3
83.01377	0.9
85.02952	1.2
87.00898	0.4
89.02438	1.0
95.01408	0.7
99.00920	0.4
101.02449	1.6
105.35933	0.2
107.01395	3.4
111.00893	1.7
113.02429	0.8
119.03461	0.4
123.00890	4.9
124.01641	2.9
125.02446	21.5
127.00358	0.7
136.98773	1.1
137.02441	0.4
137.09750	1.8
139.00388	2.9
139.04050	0.6
140.01169	2.8
141.01962	0.5
151.00397	2.4
155.03561	0.3
165.01842	0.5
165.14120	0.3
167.03462	1.2
168.00650	9.8
169.01416	29.5
170.01775	0.8
181.13719	0.3
183.02962	0.6
211.02466	51.6
212.01015	0.3
212.02777	1.8
241.03549	1.6
271.04572	100.0
272.04898	4.9
272.07706	0.3
331.06702	18.7
332.06967	0.9
521.20264	13.1
521.32263	1.5
522.20392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92822	0.2
58.00578	0.4
59.01106	0.5
59.01374	4.1
61.36666	0.2
61.98811	0.3
67.01875	0.5
69.03417	0.3
69.32622	1.6
69.33027	0.3
71.01047	0.3
71.01384	2.8
72.99291	0.5
73.02935	0.8
75.00876	0.3
75.28430	0.2
79.01876	0.5
81.03446	0.4
83.01380	0.5
85.02943	1.5
87.00870	0.4
89.02431	1.1
95.01373	0.8
97.02956	0.3
99.00928	0.3
101.02438	1.7
107.01389	3.5
111.00886	1.7
113.02425	1.0
119.03466	0.3
121.06577	0.3
123.00871	4.0
124.01628	2.3
125.02448	19.4
126.02764	0.6
127.00359	0.6
131.02640	0.2
136.98796	1.3
137.02451	0.4
137.09738	1.5
139.00357	2.7
139.03976	0.8
140.01155	2.4
141.01875	0.3
151.00395	1.6
153.01974	0.4
161.04506	0.4
165.01942	0.7
167.03459	1.3
167.99202	0.4
168.00635	9.9
169.01421	29.5
170.01785	0.8
179.55775	0.2
183.02962	0.6
190.16359	0.2
211.02470	50.5
212.02785	1.8
227.07159	0.5
233.93344	0.2
241.03539	1.8
253.48311	0.2
271.04572	100.0
272.04919	3.3
331.06686	18.3
332.07001	0.8
359.28247	0.3
410.89420	0.3
415.16092	0.3
521.20343	16.2
521.32574	3.7
522.20776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20805	0.5
57.72559	0.5
58.91746	0.5
59.01373	1.1
59.02514	0.5
69.75309	0.7
71.01376	3.1
71.52095	0.9
75.00835	0.7
76.00808	0.5
85.02948	1.5
93.03448	0.7
101.02440	1.3
113.02467	1.1
121.02967	4.5
122.03757	1.5
123.00851	0.8
125.02477	0.8
134.03758	0.6
135.04527	3.8
136.05301	1.0
137.02463	0.8
143.05019	0.7
143.94328	0.6
145.02895	0.5
147.04494	2.5
149.02444	1.4
149.06036	0.7
150.03235	5.1
151.03949	0.9
158.03676	1.6
159.04494	8.5
160.05293	29.2
161.04654	1.3
161.06044	8.9
163.04030	4.8
164.04794	5.6
169.01465	0.7
173.06068	3.1
175.07634	24.5
176.07976	1.4
177.05527	6.2
178.06337	9.9
179.03526	2.0
190.31255	0.6
192.07915	2.2
193.08717	2.9
219.20032	0.6
269.08084	1.1
283.09537	1.1
298.14914	0.6
299.09164	1.0
311.09174	1.0
314.11673	4.1
315.12357	0.9
326.11554	0.9
329.13928	100.0
330.14288	8.2
341.09036	1.1
341.13867	2.2
359.15161	2.9
482.05148	0.6
521.22363	0.8
521.30713	0.6
539.54950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01377	4.1
61.98830	3.1
68.50726	0.2
69.44621	1.7
71.01382	4.2
72.99313	0.4
73.02946	1.5
75.89270	0.2
83.01377	0.8
85.02955	1.5
87.00860	0.3
88.50133	0.3
89.02436	2.1
93.03467	1.1
95.01395	0.5
96.96011	0.5
97.02947	0.4
99.00870	3.4
101.02438	2.9
108.02179	1.1
109.02947	1.5
113.02443	1.9
119.04991	0.2
121.02953	100.0
122.03260	2.7
123.04515	6.4
123.05385	0.5
124.04830	0.3
125.02462	0.9
128.41759	0.2
131.03566	0.3
137.02440	1.7
143.03502	0.8
149.02464	0.5
150.03226	0.7
151.03969	0.3
152.01103	1.1
153.01909	1.4
153.05556	1.7
161.02357	0.3
161.04539	1.0
163.03984	0.6
164.04761	0.3
165.01891	0.4
167.03473	0.4
167.46010	0.2
169.01350	0.3
174.56487	0.2
175.04004	0.3
187.03992	1.3
189.01913	0.3
191.05566	1.3
193.05020	0.2
211.04121	0.3
215.03548	0.3
227.07126	0.6
229.05138	1.1
255.02905	2.6
256.03732	0.5
257.04465	0.4
271.04553	0.4
273.03943	1.7
283.08228	4.6
285.03894	0.4
293.08704	0.9
315.18115	0.8
325.52982	0.3
399.13120	0.7
461.24045	1.8
461.30832	0.4
477.17734	0.4
503.13715	0.9
521.16449	4.5
521.23315	0.3
521.33112	1.4
522.16718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.5
60.29525	1.5
60.92115	1.5
68.65614	1.7
69.44253	2.9
69.44653	7.8
71.01373	3.0
71.05035	1.5
71.70499	1.4
72.99301	4.2
73.02935	2.7
75.00459	2.4
75.00870	27.6
85.02970	2.4
87.00874	2.2
89.02431	6.0
99.00867	3.3
113.02420	2.2
131.03398	1.8
143.03458	5.7
161.04517	5.7
178.00314	1.6
179.05608	100.0
180.05884	3.4
190.35695	1.5
200.22688	1.4
262.54065	1.7
280.74896	1.4
505.27133	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1664
Annotation	Lysidiside L
Peak:m/z	Relative Intensity
55.01878	1.7
56.41521	0.3
59.01379	6.6
61.98825	0.4
65.03972	0.8
69.03452	0.5
69.50800	0.8
69.51226	1.3
71.01379	8.5
72.99300	1.2
73.02950	6.0
75.00845	0.4
83.01373	3.0
85.02952	4.6
87.00861	0.8
89.02452	3.9
91.01905	0.5
92.02660	0.8
93.03458	80.7
94.03799	2.3
95.01388	1.8
97.02936	0.7
97.75349	0.3
98.92135	0.4
99.00881	18.9
100.01239	0.4
101.02447	12.7
107.05029	3.6
108.02180	2.4
108.74439	0.3
109.02956	0.6
111.00868	0.5
113.02448	8.6
121.02956	49.6
122.03268	0.9
123.04533	0.4
125.02458	1.9
127.03922	0.3
131.03493	1.7
131.05014	0.4
135.04500	0.6
136.01645	1.4
137.02443	68.7
138.02765	2.2
143.03510	2.0
149.02429	0.9
151.04053	1.5
161.02403	1.1
161.04541	3.3
163.04080	0.8
169.01413	0.6
175.03946	0.6
179.03548	1.5
183.08083	0.8
187.04018	0.4
191.03714	0.6
191.05621	4.3
197.06067	13.9
198.06482	0.5
199.07635	6.8
200.07904	0.5
205.05096	0.5
209.06052	1.1
225.05585	0.8
227.07129	100.0
228.07523	5.7
229.04999	0.3
251.05571	0.4
273.03943	0.4
281.06686	6.3
293.08832	1.9
341.08759	0.6
359.27786	0.7
369.13449	1.1
395.10056	0.4
413.10867	33.1
414.11145	3.0
491.84497	0.3
521.16565	6.1
521.33362	1.3
522.16852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
98.20686	31.7
225.92996	11.3
240.69165	13.2
242.11899	12.6
410.45566	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52921	8.1
61.98834	100.0
67.94425	8.1
96.09483	9.0
96.96051	9.6
180.51794	8.2
228.60652	8.6
300.23972	9.7
308.83316	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01383	4.8
61.98832	3.9
68.29773	0.4
69.40282	1.8
69.40688	0.7
71.01387	5.0
72.99303	0.6
73.02952	1.7
75.00878	0.8
82.03306	0.4
83.01392	1.5
85.02960	2.8
87.00867	1.0
89.02446	1.3
93.03458	31.9
94.03789	1.1
97.02941	0.4
97.45071	0.3
99.00867	0.9
101.02446	4.0
101.03163	0.4
101.03276	0.3
109.02982	0.4
111.00905	0.4
113.02423	2.1
116.92810	0.5
119.03475	0.4
119.04969	0.5
123.00826	0.4
125.02454	2.4
135.03018	0.4
137.02443	100.0
138.02777	2.9
149.02493	0.5
150.03262	0.6
151.00354	0.7
155.03461	0.4
159.03047	0.5
159.04541	0.4
161.04544	1.6
163.03984	0.6
168.00569	0.4
169.01411	1.3
187.04024	1.4
201.05574	0.4
206.91046	0.3
211.02464	0.8
229.04987	1.0
255.03156	1.6
256.03864	0.4
269.04672	0.4
271.04596	1.2
273.04108	1.8
310.69220	0.3
315.05136	0.4
356.18890	0.5
359.27939	1.3
373.26096	0.4
389.00449	0.4
391.23566	0.6
401.14560	0.8
467.08551	0.3
503.13766	0.8
503.58386	0.3
521.15320	3.6
521.33386	6.8
521.58624	0.3
522.17316	0.4
522.33936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24691	0.9
55.01873	2.0
57.03455	1.3
59.01377	96.8
61.98829	10.1
65.00314	1.6
67.01882	2.9
71.01380	16.3
71.52601	1.6
72.99298	1.7
73.02940	5.6
81.03451	1.8
81.22366	0.8
83.01376	2.6
85.02948	6.7
87.00871	1.3
89.02454	7.4
91.01886	6.2
94.98079	2.6
95.01381	5.0
97.02902	1.1
99.00266	0.9
99.00878	2.9
101.02432	12.9
101.06096	0.8
105.01905	0.9
107.01404	4.6
108.02177	6.1
109.02944	4.5
111.00877	3.0
112.98763	0.9
113.02436	8.1
114.29055	1.0
119.03474	2.2
121.06583	1.4
123.00892	7.9
123.04524	25.9
124.01672	1.5
124.04865	0.9
125.02489	4.5
137.02435	1.1
137.09709	7.8
138.03120	1.0
143.03448	1.2
147.04605	0.9
150.03166	1.6
151.00346	10.0
151.03983	1.3
152.01163	12.1
153.02008	3.9
161.04550	3.7
164.01120	1.3
165.05591	0.9
166.02687	8.5
167.03490	83.7
168.03793	1.9
179.05534	1.1
181.05066	12.7
194.02191	8.0
195.02971	2.5
209.04546	100.0
210.04851	4.3
215.15695	0.9
239.05589	22.1
255.19269	1.0
269.06656	46.1
270.07025	2.2
297.20676	1.4
329.08765	3.1
357.26495	1.2
375.27591	1.6
389.21747	0.9
399.23840	7.9
417.24872	8.9
418.25095	1.5
459.25809	2.1
519.22382	20.0
519.31543	8.6
520.22949	2.6
520.31689	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	519.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01378	37.0
61.98832	6.2
65.00343	1.2
67.01888	2.2
71.01384	11.7
71.67142	0.7
73.02954	2.5
81.03474	1.8
83.01368	2.9
85.02947	4.7
87.00891	1.1
89.02442	4.0
91.01907	5.8
91.02399	1.2
91.55554	0.7
94.98061	1.4
95.01372	3.5
97.02943	1.1
98.20761	1.5
99.00877	1.2
101.02429	6.9
107.01387	6.7
108.02193	5.2
109.02939	3.8
111.00896	3.7
113.02412	5.5
119.03476	1.4
121.06590	1.0
123.00908	6.8
123.04527	24.9
124.01653	1.4
124.04885	0.7
125.02428	3.8
137.09715	6.6
143.03375	0.7
149.35095	0.7
150.03249	1.2
151.00385	9.3
152.01135	10.8
153.01912	3.2
161.04518	0.9
163.03949	0.8
164.01170	1.1
165.01938	1.0
166.02695	10.9
167.03488	87.5
168.03825	2.4
179.03476	0.8
181.05048	12.8
182.42848	0.8
194.02208	7.3
195.02939	2.9
195.74011	0.7
209.04544	100.0
210.04861	3.1
221.04532	0.8
225.67581	0.7
229.33586	0.9
236.37862	0.9
238.97726	0.7
239.05594	23.9
240.05991	0.9
255.05214	1.3
263.05524	1.8
269.06659	43.4
270.07065	2.0
311.07782	1.0
329.08704	2.9
375.27692	1.2
399.23840	3.3
417.24951	2.4
475.19418	1.0
519.02118	0.8
519.14734	1.1
519.22406	19.0
519.31445	2.7
520.22668	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	519.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00272	0.2
51.34802	0.3
54.46244	0.3
54.50872	0.3
59.01379	2.7
59.89228	0.3
61.98824	1.2
70.95284	0.8
71.01390	1.9
72.99298	0.4
73.02932	0.5
73.63574	0.2
76.71364	0.2
77.31103	0.3
83.01396	0.4
85.02950	1.0
89.02439	0.8
91.50846	0.3
93.03459	0.8
95.01376	0.5
97.34481	0.3
101.02429	1.2
103.74066	0.3
109.02970	0.3
111.28815	0.3
113.02432	1.4
119.03402	0.3
120.77922	0.3
121.02956	100.0
122.03285	2.2
125.02431	0.7
131.03485	0.3
145.02974	0.7
146.03305	0.4
151.04022	0.4
161.04619	0.4
191.56369	0.3
222.55798	0.3
295.84201	0.3
327.25308	1.0
339.25452	0.7
357.26514	2.2
501.30450	0.4
519.25592	0.7
519.31793	12.3
520.32196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19719	0.7
59.01383	3.5
61.98833	11.4
71.01361	1.5
71.51398	1.3
83.01399	1.5
85.02939	0.7
97.02959	3.2
101.02457	2.2
102.05612	27.6
108.02200	1.0
109.02959	9.6
116.92852	0.8
121.02985	2.0
122.03674	0.9
123.04530	7.5
123.08150	0.8
125.02442	3.1
128.03548	25.3
135.04475	1.4
137.02457	2.1
139.04045	1.2
145.02985	0.7
146.04597	100.0
147.04912	1.6
149.02376	3.4
151.04012	3.0
153.05574	2.6
159.04559	0.9
161.02422	1.3
161.06038	2.8
162.03285	1.7
163.04073	1.1
165.01920	1.1
166.12291	1.3
175.04027	1.0
175.11258	0.9
184.13385	3.6
187.04039	1.9
203.07130	3.1
205.04997	3.8
207.10258	3.5
219.10298	6.2
221.11800	0.9
245.07921	0.9
247.06107	1.5
247.09807	1.7
261.11343	1.5
265.87463	0.7
285.14929	1.1
289.07156	2.8
303.16089	0.8
327.15952	3.6
354.10660	0.8
371.14969	47.4
372.15442	4.1
434.06424	0.7
474.18185	0.7
482.20230	0.9
518.21069	1.4
519.32452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19719	0.7
59.01383	3.5
61.98833	11.4
71.01361	1.5
71.51398	1.3
83.01399	1.5
85.02939	0.7
97.02959	3.2
101.02457	2.2
102.05612	27.6
108.02200	1.0
109.02959	9.6
116.92852	0.8
121.02985	2.0
122.03674	0.9
123.04530	7.5
123.08150	0.8
125.02442	3.1
128.03548	25.3
135.04475	1.4
137.02457	2.1
139.04045	1.2
145.02985	0.7
146.04597	100.0
147.04912	1.6
149.02376	3.4
151.04012	3.0
153.05574	2.6
159.04559	0.9
161.02422	1.3
161.06038	2.8
162.03285	1.7
163.04073	1.1
165.01920	1.1
166.12291	1.3
175.04027	1.0
175.11258	0.9
184.13385	3.6
187.04039	1.9
203.07130	3.1
205.04997	3.8
207.10258	3.5
219.10298	6.2
221.11800	0.9
245.07921	0.9
247.06107	1.5
247.09807	1.7
261.11343	1.5
265.87463	0.7
285.14929	1.1
289.07156	2.8
303.16089	0.8
327.15952	3.6
354.10660	0.8
371.14969	47.4
372.15442	4.1
434.06424	0.7
474.18185	0.7
482.20230	0.9
518.21069	1.4
519.32452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
57.03442	2.2
59.01379	89.4
61.19810	1.7
61.98829	9.4
64.59733	1.6
69.03439	4.1
69.30871	8.3
69.31293	4.8
71.01382	52.6
72.99303	3.8
73.02947	20.0
75.00864	2.3
81.03481	4.4
83.01383	4.4
83.05038	7.8
85.02953	21.9
87.00887	4.3
88.98744	1.5
89.02441	25.1
91.01894	14.8
93.03462	13.4
95.01390	4.2
96.96033	5.3
97.02958	6.7
98.19798	2.9
99.00875	3.6
101.02446	44.5
103.04008	27.5
106.06702	1.9
107.05024	1.9
109.03001	2.2
113.02457	6.9
115.00389	1.9
116.92831	2.1
119.01398	4.4
119.03517	14.2
121.02924	13.0
123.21728	1.6
125.02451	36.1
127.04011	6.6
129.13731	1.7
135.04501	1.7
135.45828	1.6
137.02444	12.6
143.03502	4.5
145.05069	6.6
149.02473	3.4
151.04007	100.0
152.01155	28.9
152.04375	3.8
161.04567	3.1
163.06126	28.4
167.03487	30.3
169.01414	4.6
175.02475	5.1
179.03398	2.7
202.04768	1.8
203.03517	1.8
205.05214	1.9
205.07115	4.1
238.54565	1.7
247.08182	9.9
248.60545	1.7
299.23889	2.1
304.42847	2.0
307.10425	20.2
329.08713	2.7
343.12979	2.1
357.09686	14.0
387.20126	1.8
427.12271	2.5
431.21945	2.5
518.26019	4.0
519.26587	12.9
540.46228	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	517.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55494	2.5
59.01384	29.6
68.81621	2.6
71.01378	7.6
72.99314	4.3
89.02444	17.3
91.04009	73.9
98.20274	22.9
100.34646	2.9
107.36584	2.4
109.29775	2.5
226.94122	2.6
229.33954	3.8
254.59561	2.6
307.30072	100.0
308.30383	11.2
351.29025	54.7
352.29251	4.3
369.30093	60.2
370.30588	5.1
425.32742	28.4
426.32840	4.0
443.33722	48.6
444.34238	4.3
535.15283	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	517.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98822	2.6
64.13470	0.9
71.49949	1.0
89.61796	1.0
91.04027	1.4
91.33282	1.1
120.73190	1.0
215.10580	1.0
287.22864	1.0
340.51770	1.0
383.35541	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	518.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24093	0.3
59.01377	3.0
61.98830	100.0
67.00938	0.3
67.77300	0.3
70.79969	0.9
71.01390	1.3
73.02947	0.7
83.01392	0.4
85.02946	0.7
85.31596	0.3
89.02446	0.6
93.03477	0.4
96.95940	0.5
99.00883	0.3
101.02460	0.9
113.02460	0.5
125.02459	1.3
137.02451	1.7
146.80080	0.3
160.08722	0.3
245.08015	0.5
271.06091	0.5
289.07220	0.6
313.41599	0.3
373.25851	0.5
517.30725	0.4
518.30475	0.4
519.25818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	4.7
59.01385	9.5
61.98833	12.5
65.00331	9.6
69.03470	1.8
71.00475	1.4
71.01379	6.2
73.02946	1.1
81.03453	3.3
83.01386	12.6
85.02930	4.0
89.02439	2.5
93.03429	3.2
95.01381	2.3
95.05017	5.6
97.02959	9.2
101.02454	2.1
102.01810	1.2
107.01385	16.0
109.02949	26.4
109.06496	1.3
111.00883	1.3
113.02448	2.6
119.04996	3.3
120.55035	1.2
121.02956	32.5
122.03735	1.5
123.00885	2.6
123.04527	24.2
124.01635	3.9
125.02446	44.5
126.75342	1.1
135.04521	5.5
137.02444	23.0
139.03993	6.0
145.02919	4.0
146.03702	1.5
147.04529	3.1
149.02443	12.4
150.03232	10.5
151.00375	62.1
151.04001	18.1
152.01126	9.5
153.01904	2.9
156.27072	1.2
159.04472	4.3
161.02475	5.7
161.06058	9.9
162.03195	5.4
163.04010	6.8
164.01077	4.1
165.01915	7.7
165.05566	2.4
167.03477	3.4
174.03059	1.5
175.03984	5.4
175.07585	3.6
177.01929	3.0
178.99893	12.8
179.03490	9.5
181.06667	1.6
185.11754	1.4
187.04037	8.0
188.04712	6.7
190.06366	1.7
201.05548	2.5
201.09277	2.4
202.06343	4.4
203.03386	1.7
203.05394	1.7
203.07162	19.1
205.01350	1.8
205.05034	14.7
206.05252	1.3
208.05286	7.6
209.06065	87.3
209.11783	2.3
210.06404	3.8
217.08624	2.4
218.09390	1.5
219.10257	5.0
221.08199	3.4
223.13457	3.0
225.05528	1.9
225.11276	1.5
227.03445	1.7
227.07036	2.9
229.04924	1.3
231.02943	2.0
233.00894	1.6
245.08173	31.3
247.06020	5.3
256.03787	2.1
259.48480	1.2
271.05975	1.7
284.03262	16.1
285.04147	1.6
289.07178	92.6
290.07486	4.6
297.09811	13.0
313.07208	6.5
321.03879	3.2
353.06421	2.2
353.10297	23.3
355.24997	1.3
365.15994	9.4
371.11325	11.3
373.25809	2.8
391.13907	3.3
401.08740	17.8
429.19217	1.4
473.17462	6.4
496.49222	1.3
499.20059	5.7
517.21112	100.0
517.29730	10.5
518.21222	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.0
61.98830	6.9
65.00332	1.4
71.01382	4.2
72.22643	0.9
73.02934	1.5
83.01387	1.5
85.02937	1.5
87.00873	2.4
89.02449	2.2
93.03522	1.1
98.19823	2.0
101.02421	1.9
103.04033	1.5
105.03467	1.4
107.05022	1.8
108.02193	2.0
109.02939	3.6
113.02441	1.3
115.83811	1.0
117.03457	2.6
119.05029	1.1
121.02951	5.2
122.03780	2.5
123.04522	26.5
125.02443	3.1
133.02943	5.7
137.02438	3.5
143.01385	4.1
145.02962	4.8
145.60675	1.1
147.04547	1.1
149.02409	7.4
150.03220	65.9
151.00316	2.6
151.04004	75.6
152.04358	2.3
153.05597	2.0
159.00867	1.1
161.02443	10.3
162.02994	1.3
165.01909	1.8
175.04028	1.2
176.01111	2.2
177.01958	9.1
187.00381	7.1
189.01932	3.8
193.05023	2.8
201.01880	1.7
205.01375	11.2
219.02957	2.8
219.06447	1.5
220.03540	1.4
229.42807	1.1
233.00890	14.7
247.02510	2.2
249.05605	2.2
277.05081	6.2
284.03052	1.2
293.04584	3.1
294.78833	1.0
297.09775	100.0
298.10214	7.0
311.05447	1.3
321.04016	37.9
322.04373	3.0
323.07877	4.6
330.47781	1.1
353.06641	13.0
353.10449	2.1
361.16913	1.1
391.08008	1.1
391.13727	1.2
401.08713	1.9
467.09702	3.5
485.10886	9.5
486.10754	1.7
517.31067	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	517.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.1
59.01378	12.4
61.98830	23.2
63.02390	1.4
65.00324	17.9
68.42155	1.0
69.03450	1.1
71.01384	4.5
71.52197	1.2
73.02936	1.4
73.50369	1.0
73.98654	1.1
81.03477	1.7
83.01381	13.6
85.02956	3.0
87.43081	1.2
89.02459	1.4
95.01374	2.3
95.05031	1.3
97.02942	3.3
101.02464	2.5
105.33794	1.1
107.01385	25.6
107.04978	1.2
108.02203	1.0
109.02940	9.4
113.02422	1.7
117.03461	1.3
119.05011	7.0
121.02946	22.9
123.00910	1.6
123.04509	9.4
124.01644	4.0
124.23656	1.0
125.02445	65.5
126.02789	1.8
135.04494	3.2
137.02431	11.0
139.00247	1.1
139.03986	2.0
145.02943	2.0
146.03708	2.4
147.04503	2.7
149.02452	4.2
150.03224	10.5
151.00366	100.0
151.03955	8.5
152.01164	17.2
153.01956	5.9
159.04492	3.7
161.02478	2.6
161.04539	1.3
161.06090	3.8
162.03210	5.7
163.04024	14.5
164.01160	1.3
165.01884	4.0
167.03499	3.0
169.01321	2.5
170.94400	1.4
172.05273	1.9
173.06123	1.5
175.03914	3.4
175.07532	2.7
177.01924	1.5
178.99866	21.9
179.03442	3.9
181.01399	1.3
181.06653	1.2
187.03995	3.7
187.07556	1.4
188.04666	2.5
189.01973	1.4
189.09131	1.1
201.09151	5.5
203.07092	8.3
205.05064	5.5
208.05325	1.6
209.06078	29.5
210.06378	1.9
217.08784	1.9
218.09412	3.0
219.10231	9.4
227.03502	1.9
227.07240	1.4
231.06639	1.3
243.10258	2.3
244.07419	2.5
245.08182	20.0
260.48373	1.2
284.03217	10.1
285.03665	1.4
285.11365	1.9
289.07156	32.1
290.07574	2.5
297.09769	4.3
309.11282	1.5
313.07019	4.7
327.12296	1.7
343.11734	2.1
352.09512	2.1
353.07019	1.3
353.10309	30.8
354.10449	3.5
355.24701	1.6
357.06430	1.3
365.16010	4.1
371.11295	26.2
372.11746	2.6
391.13785	5.3
401.08707	12.7
473.18030	2.6
499.19766	2.3
499.27948	1.2
517.20514	33.1
517.30042	7.7
518.21509	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	515.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69818	0.3
61.98801	0.5
64.47227	0.3
70.59700	0.3
77.78756	0.3
81.79802	0.3
85.59138	0.4
98.20632	1.0
106.04222	0.8
107.05029	0.7
112.22163	0.3
121.02882	0.3
147.08244	0.3
163.11290	34.4
164.11624	1.7
175.11304	1.4
176.12059	1.2
177.12849	4.3
190.09973	1.4
207.10251	0.7
208.11031	3.1
267.13992	0.6
281.15427	1.8
282.16260	4.4
283.17020	7.0
284.17456	0.3
293.15485	1.6
294.16132	0.3
295.17072	0.5
339.23270	100.0
340.23627	10.1
349.21835	0.5
351.23270	6.9
352.23532	0.6
409.50943	0.4
515.35297	72.4
516.35632	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	516.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.3
61.98816	1.1
83.01391	1.7
84.91569	0.8
87.00939	0.7
93.03448	1.1
97.02946	4.8
98.20680	1.7
102.05608	37.5
108.02205	1.0
109.02942	9.5
121.02967	1.8
121.06593	1.2
122.03761	1.7
123.04530	9.4
123.08073	0.9
128.03546	29.4
132.23276	0.7
135.04527	0.9
137.02431	1.2
139.03993	1.2
146.04601	100.0
147.04936	1.4
149.02432	3.3
149.06143	1.0
151.04041	3.5
159.04523	1.7
161.02438	2.1
161.06100	2.6
161.09703	0.9
162.03212	2.2
162.48831	0.8
163.03999	1.8
173.09726	0.8
174.03140	0.9
175.03960	1.0
175.11330	1.0
177.05612	2.0
182.11893	1.6
187.04012	1.5
188.04849	1.3
189.05482	1.1
203.07149	3.3
205.05016	5.9
205.08646	4.3
207.10336	2.5
209.08183	1.7
213.05591	0.9
217.08670	6.7
219.10246	1.6
224.67377	0.8
226.10796	2.4
245.08194	1.8
246.09108	0.9
247.06097	3.5
247.09755	1.4
259.09613	1.1
283.13400	1.7
289.07251	1.5
301.14355	1.2
307.13351	0.9
325.14413	3.7
369.13419	64.3
370.13693	6.4
474.06445	0.9
517.18915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77618	0.5
59.01390	0.7
61.98823	0.9
68.18253	0.6
68.82044	0.6
69.03446	0.6
81.03434	0.6
83.01389	3.2
85.02952	0.8
95.01413	0.5
95.05001	0.8
97.02957	3.9
101.02452	0.8
102.05609	33.7
105.19955	0.5
108.02180	0.7
109.02948	9.7
121.02954	2.2
121.06607	0.8
122.03740	1.6
123.04543	9.5
125.02448	2.1
128.03542	24.8
133.10138	0.6
135.04550	1.1
137.02472	1.3
139.04002	1.5
145.02946	1.0
146.04596	100.0
147.04926	2.0
149.02428	3.1
150.03220	0.7
151.04016	4.1
159.04538	1.7
161.02466	1.8
161.06052	3.7
161.09718	1.3
161.80176	0.6
162.03255	1.2
163.04022	1.2
163.07605	1.0
164.10741	0.9
173.06041	0.8
175.04002	1.1
175.07664	0.7
177.05513	1.0
182.11903	2.0
187.03996	1.7
188.04739	1.1
189.05580	0.7
202.06389	1.3
203.03508	0.5
203.07146	3.2
205.05031	6.8
205.08694	3.2
207.10231	3.0
217.08711	5.8
219.10229	1.7
226.10840	0.9
231.03040	0.9
231.10425	0.7
244.07573	0.7
245.08154	1.8
246.08934	0.6
247.06075	3.0
247.09758	0.9
259.09763	1.4
283.13428	1.2
289.07098	1.2
301.14410	1.4
317.28821	0.6
325.14499	4.7
351.79642	0.6
355.11993	1.3
369.13409	64.2
370.13788	6.1
514.93799	0.6
543.59906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98826	5.1
68.99578	1.0
69.03451	2.2
71.01392	3.4
71.05029	5.5
71.52228	0.7
85.02965	0.8
89.06067	1.5
112.98572	1.5
113.02501	1.2
121.02947	4.5
123.92607	0.6
125.02471	1.6
134.03775	1.3
137.02455	1.3
149.09816	1.0
160.58321	0.6
165.01958	1.2
177.09207	1.2
221.08171	14.6
222.08372	0.8
233.10262	0.9
237.07758	0.8
237.67220	0.6
280.90344	0.9
291.08673	1.3
381.11893	8.6
382.12540	0.8
515.28979	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	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62225	0.1
59.01395	0.1
61.98830	100.0
62.98534	0.1
69.34628	0.8
98.43050	0.1
115.38228	0.1
119.21973	0.1
119.69612	0.1
353.91248	0.1
409.82004	0.1
414.06238	0.1
454.33673	0.2
514.32544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73402	0.7
61.98829	100.0
71.49776	0.8
73.34910	0.7
109.58660	0.8
120.88894	0.8
143.46948	0.8
153.98300	0.9
178.82050	0.8
253.08891	0.9
471.70605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01376	5.2
61.98827	7.7
71.01377	2.1
71.52455	0.8
73.02953	0.8
76.84330	0.8
78.70052	0.9
78.95911	1.2
83.01379	3.8
84.04547	1.2
85.02964	3.8
89.02399	1.0
93.03469	1.4
95.01372	1.0
96.96014	5.1
96.96950	1.6
97.02941	5.8
99.00867	1.1
101.02454	0.8
102.05600	1.7
108.02154	2.4
109.02944	19.0
113.02445	1.4
120.03501	0.7
121.02931	4.1
121.06592	2.1
122.03727	2.3
123.00860	2.8
123.04521	14.3
124.01662	1.7
125.02456	5.5
127.05093	1.1
127.93628	0.8
128.03523	3.2
133.02951	0.8
133.55716	0.8
135.04474	2.5
137.02461	3.7
139.04007	2.9
145.02936	1.5
145.06183	5.1
146.03607	1.9
146.03870	1.2
146.04666	5.7
149.02470	6.1
150.03252	1.3
151.04012	7.5
152.01106	0.9
158.42921	0.9
159.04515	3.2
160.05273	1.4
161.02426	3.7
161.06039	6.6
161.09702	2.3
162.03172	2.2
163.03970	2.2
163.07655	1.8
163.11296	1.2
164.01123	0.9
165.01950	1.3
175.03915	1.4
175.07710	1.9
175.11272	1.0
176.01059	1.0
177.05585	1.6
178.99902	0.9
179.03543	0.9
187.03951	2.1
188.04768	1.7
189.05476	1.2
189.09225	1.0
190.02722	0.9
201.05556	1.0
202.06311	1.1
203.03467	1.5
203.07231	4.3
205.05042	9.9
205.08688	5.7
207.10216	4.5
208.06219	1.0
209.12413	0.8
213.05696	0.9
217.08655	8.7
219.10252	2.3
225.12550	1.1
231.03003	1.7
231.06586	0.9
244.07324	1.5
245.08174	3.5
246.08980	1.6
247.06122	5.6
247.09778	1.5
248.06367	1.0
259.09723	1.6
283.13425	1.4
289.07059	4.9
301.14478	1.6
304.49146	0.8
325.14377	5.8
369.13388	100.0
370.13733	7.9
466.52942	1.0
515.20630	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	514.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98828	100.0
70.64799	0.3
71.01382	0.6
71.52103	0.3
78.95906	0.4
83.01423	0.4
85.02944	0.8
87.00894	0.5
89.02435	0.5
96.96009	2.7
96.96989	1.0
109.03008	0.6
111.00932	0.4
123.00840	0.6
125.02451	1.3
128.03436	0.4
129.01881	0.3
137.02449	1.0
148.96751	0.3
151.03998	0.6
152.01149	0.5
153.01967	0.4
160.04019	2.3
161.02419	0.3
163.03947	0.4
169.01495	0.7
178.02704	0.4
179.03500	0.6
205.03592	0.4
223.04636	1.0
224.04926	0.4
289.07300	0.7
332.59344	0.6
337.05551	0.4
451.12619	0.6
514.16309	0.4
515.17914	3.1
515.26703	0.6
528.55743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07553	0.3
55.01941	0.3
57.03458	0.4
59.01388	1.9
61.98830	100.0
63.17430	0.2
69.28639	0.4
69.29041	1.9
71.01388	1.0
73.02939	0.4
83.01424	0.4
85.02946	1.8
89.02444	0.6
96.96042	0.5
97.02973	0.3
101.02473	0.6
109.02918	0.3
111.00878	0.4
113.02472	0.4
119.05044	2.2
121.02980	0.4
123.04529	0.6
125.02460	1.1
129.01952	0.5
135.08139	0.3
137.02469	0.9
145.02950	0.3
147.28273	0.3
150.06911	0.4
151.04019	0.5
151.07404	0.3
153.05544	0.3
163.04034	1.8
167.03574	0.3
175.03923	0.4
177.85663	0.3
179.03592	0.3
179.10872	0.4
205.03505	0.6
219.06700	0.3
223.04594	0.7
289.07178	0.8
295.69894	0.3
352.22083	0.4
369.08267	0.3
388.24518	0.3
443.56635	0.3
479.17386	0.3
514.20715	0.4
514.28223	0.8
515.19574	0.9
515.28595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50146	0.7
54.62704	0.8
57.03446	2.4
59.01346	0.8
61.98827	100.0
65.43999	0.7
69.43857	1.0
69.44256	4.7
70.01789	0.8
71.01385	1.5
72.99344	0.8
81.03427	0.9
83.01385	2.8
85.02950	4.9
93.03439	0.8
96.96008	1.2
97.02929	1.4
101.02401	0.9
102.92381	0.8
109.02935	12.7
111.00887	1.2
119.05082	1.0
123.04522	3.4
125.02441	16.0
129.01942	2.3
133.02982	4.1
135.04524	16.2
137.02437	32.7
139.03949	1.0
139.52718	0.8
139.60213	0.8
145.02945	1.4
147.04613	1.5
149.02513	1.8
151.00371	0.9
151.03995	3.3
159.04543	3.0
161.02438	16.8
161.06061	1.7
164.01266	0.8
165.01918	2.3
167.03459	1.7
175.03964	2.6
177.01880	1.7
179.03503	20.2
187.04070	1.2
188.04741	1.1
190.02597	0.9
201.05603	1.0
203.03453	4.6
203.07104	2.9
205.05098	1.5
245.08189	3.6
248.53082	0.9
261.95761	0.9
269.08157	7.7
271.06143	2.1
275.64044	0.8
285.07568	0.9
289.07156	20.6
290.07532	2.0
341.06671	1.4
345.16959	0.8
405.16574	0.9
407.11511	1.8
451.10379	23.8
452.10648	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	513.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66291	0.4
57.60547	0.3
59.01377	4.1
59.22647	0.4
61.98834	5.0
65.03947	0.5
66.10767	0.4
71.01376	7.6
71.01732	0.7
73.02947	4.2
75.51304	0.4
78.95874	0.4
79.55688	0.4
83.01396	1.4
85.02959	3.0
87.00873	0.5
89.02449	2.2
93.03458	76.0
94.03783	2.1
95.01357	0.7
96.96021	0.5
97.02946	0.6
99.00874	11.8
101.02440	7.8
108.06152	0.4
109.02915	0.8
113.02445	4.7
121.03049	0.4
125.02440	1.4
127.03975	0.6
131.03503	1.0
137.02441	100.0
137.76445	0.4
137.94203	0.4
138.02774	2.4
143.03499	0.9
151.00323	0.5
151.04015	0.4
157.38409	0.4
159.03033	0.7
161.02501	0.6
161.04555	6.3
165.01871	0.6
167.03575	0.5
175.04054	0.8
179.03444	0.5
191.05634	2.3
191.07124	0.4
219.10255	19.8
220.10696	0.9
231.71353	0.4
255.08844	1.1
281.06702	0.8
289.07159	0.4
293.08954	1.1
362.31076	0.4
364.43002	0.4
387.13147	3.1
409.94580	0.4
413.10809	5.2
414.11401	0.6
431.11948	15.3
432.12128	1.3
513.19531	5.2
514.19696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72086	1.5
55.23751	1.4
57.03429	1.6
59.01379	90.8
60.99311	14.3
61.98829	18.0
69.29243	7.8
69.29662	3.4
71.01378	14.2
73.02954	1.3
75.00887	1.7
75.96788	1.3
83.01381	1.8
85.02943	2.9
87.00868	3.3
88.98806	100.0
89.02439	16.8
97.06579	1.6
99.00873	2.7
101.02430	9.5
113.02482	6.7
114.80257	1.3
119.03518	5.6
121.02940	3.9
124.01697	1.6
125.02440	5.4
137.02397	3.5
143.03520	1.9
151.00359	2.2
159.04460	2.1
161.04556	4.0
169.21812	1.6
175.03973	6.1
178.99969	1.5
179.05605	2.9
205.12346	3.9
218.05748	2.6
219.06551	2.5
296.25760	1.5
301.83020	1.5
423.23569	7.5
424.22986	1.6
513.16309	4.7
513.27087	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03461	0.2
58.00614	0.3
59.01377	7.1
69.03483	0.2
71.01379	5.3
72.99327	0.4
73.02933	1.0
75.00892	0.1
77.97181	0.1
83.01380	0.6
83.05056	0.2
85.02950	1.2
85.03373	0.1
85.48757	0.1
87.00863	0.6
89.02437	3.8
91.04045	0.1
94.48567	0.1
95.01426	0.4
96.44654	0.1
97.02943	0.3
98.20655	0.3
99.00900	0.3
101.02438	4.6
105.79971	0.1
113.02451	2.2
119.03504	1.0
125.02469	0.2
127.07658	0.3
131.03539	0.2
133.05110	0.3
143.03526	0.4
149.96686	0.1
161.04535	1.7
179.05646	0.5
229.50259	0.1
233.22774	0.3
235.08162	1.0
253.09268	16.3
254.09808	0.6
259.20676	0.4
267.30661	0.1
275.20151	0.5
277.21692	100.0
278.22040	8.4
329.97827	0.1
447.78098	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
59.01105	0.4
59.01381	5.6
62.42670	0.2
71.01379	5.0
71.49609	0.2
72.99295	0.3
73.02942	0.8
78.28352	0.2
83.01385	0.6
85.02930	1.0
87.00874	0.6
89.02447	4.0
99.00877	0.2
101.02444	4.2
113.02448	1.9
115.03948	0.3
119.03482	1.1
127.07629	0.3
133.05026	0.3
140.87711	0.2
143.03476	0.6
161.04568	2.0
179.05626	0.4
190.06424	0.2
226.86009	0.2
233.22614	0.4
235.08234	0.8
253.09282	15.3
254.09584	0.4
259.20535	0.3
275.20044	0.4
277.21707	100.0
278.22037	8.0
352.76611	0.2
394.16522	0.2
512.98743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
57.19886	0.9
61.67912	1.0
61.98831	100.0
65.00322	7.8
69.25912	7.7
69.26321	2.5
81.62862	0.9
83.01382	3.0
107.01389	11.8
123.04503	3.8
124.44878	1.2
125.02448	12.0
133.03024	1.3
149.02428	1.1
150.03229	6.8
151.00369	44.0
151.03935	6.6
152.01172	6.8
153.01910	1.1
175.04021	2.2
178.99774	5.4
199.03975	2.0
285.04071	24.6
286.04425	1.8
297.09708	1.3
302.04190	1.2
303.05130	15.9
449.10843	27.3
450.11105	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	512.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69171	0.3
59.01373	0.9
61.98829	100.0
66.34423	0.3
67.40953	0.3
69.44640	0.6
69.45050	1.3
69.73754	0.3
71.01360	0.4
89.02421	0.3
101.02467	0.4
125.02435	0.4
151.00374	0.8
151.04007	0.5
152.01198	0.3
175.04013	0.4
209.11884	0.6
211.13435	0.6
217.06596	2.5
218.06982	3.5
303.05124	0.4
374.98981	0.3
441.56262	0.3
449.10886	0.7
462.22928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01399	0.9
61.98827	4.9
71.01385	2.0
71.51745	0.9
75.95284	0.5
78.95903	25.5
79.95747	3.5
85.02943	5.8
96.96011	100.0
96.96963	46.6
99.00892	0.8
101.02439	1.2
108.02177	1.3
109.02948	3.3
111.00871	3.3
113.02394	0.6
123.04536	0.9
125.02454	1.6
129.01929	3.4
139.25380	0.6
151.04097	0.6
152.01122	1.0
153.01947	1.0
160.04030	3.0
161.02411	0.7
169.97008	0.6
193.05013	1.0
205.03487	4.0
223.04573	15.5
263.61258	0.6
358.99759	0.6
380.24216	0.6
419.17670	0.8
481.18066	1.8
513.13196	2.3
521.15741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96575	1.4
51.08180	1.2
51.55801	1.1
57.03450	15.0
59.01377	29.8
61.98830	13.7
69.19839	12.9
69.20173	2.3
71.01381	4.6
72.99289	1.5
81.03460	4.1
83.01387	10.9
85.02950	2.6
88.98820	4.7
89.02443	2.9
89.90486	1.3
93.03449	3.1
95.01351	1.3
95.05041	3.5
97.02953	5.1
99.00897	2.0
101.02472	2.4
108.02209	2.0
109.02952	22.6
110.03265	1.6
111.00867	4.8
113.02496	1.5
117.03467	1.3
121.02962	3.2
122.03744	2.1
123.00909	3.0
123.04516	15.2
124.01692	1.7
125.02446	100.0
126.02793	1.6
135.04517	3.6
137.02438	52.0
137.09668	1.8
138.02780	1.3
139.04048	2.3
145.02945	22.4
146.03711	3.5
147.04457	1.9
149.02437	9.1
150.03197	2.1
151.00410	1.8
151.04008	13.0
159.04530	14.0
160.05188	1.4
161.02451	4.0
161.06068	11.2
161.09758	1.5
162.03221	2.4
164.01091	1.8
165.01894	3.9
167.03493	3.0
173.06071	3.1
175.03990	10.5
175.07703	1.8
177.05551	2.7
179.03432	4.9
179.10913	1.5
181.08604	2.2
183.04504	3.2
185.06104	7.5
187.04012	7.8
188.04785	3.9
189.05629	2.6
190.02693	1.9
197.11829	22.7
199.07594	1.8
201.05562	6.5
202.06337	3.8
203.07118	17.6
205.05008	6.5
209.06050	2.1
211.03975	2.3
213.01825	1.6
217.05116	1.6
218.05815	4.9
219.06589	5.0
221.08174	1.7
222.08374	1.4
223.09824	1.9
225.05637	2.9
227.07146	6.6
229.05006	3.6
241.10809	28.4
242.11139	1.7
245.08186	14.6
253.04984	13.6
256.03821	1.7
271.06113	51.5
289.07175	97.6
290.07477	5.5
375.14478	10.0
407.18985	1.3
451.17233	1.4
469.18668	4.0
477.23315	5.3
513.17114	23.9
514.17865	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	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
58.62558	0.4
59.01407	0.4
71.98454	0.4
83.05022	0.6
96.80253	0.4
97.06611	0.5
111.08133	2.1
111.41082	0.4
124.04532	0.4
155.22934	0.3
157.24963	0.4
163.11298	0.5
165.12845	21.4
166.13152	0.9
183.13895	100.0
184.14221	4.0
185.53036	0.4
209.11821	6.0
211.13393	0.5
227.12895	17.4
283.15515	2.1
301.16562	12.8
331.26688	0.4
449.29208	0.8
467.30054	2.5
493.27963	1.6
511.29099	27.9
512.29388	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	512.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64360	0.6
61.98830	100.0
65.00318	4.4
69.43699	3.6
83.01402	2.4
107.01389	6.8
111.98130	0.6
123.04538	1.3
125.02439	6.8
133.85098	0.7
150.03241	3.9
151.00365	34.9
151.04021	5.5
151.53807	0.5
152.01176	5.1
171.24692	0.6
175.04024	2.0
177.01930	1.2
178.99916	4.7
199.03989	1.1
207.97882	0.6
217.05080	0.9
241.05171	0.7
285.04071	16.6
285.07120	1.2
297.09985	0.8
302.04465	0.9
303.05112	9.8
304.05359	0.7
449.10797	17.1
450.11301	1.5
458.26190	0.7
481.71445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
65.00327	4.5
65.75730	1.0
66.39464	0.9
69.00336	1.0
70.82090	2.5
71.08591	0.9
83.01375	2.3
107.01393	6.3
123.04535	2.0
125.02451	10.5
135.64400	1.0
138.49672	0.9
150.03212	3.9
151.00369	42.9
151.03973	7.2
152.01062	4.4
164.96815	1.1
175.03979	1.9
177.01859	1.4
178.99849	7.5
184.95856	0.9
199.04001	1.7
208.86710	1.0
217.04955	1.6
241.05089	1.8
285.04086	25.7
286.04300	1.3
297.09711	2.6
303.05130	12.0
323.07687	1.2
431.09128	1.3
449.10931	21.5
450.11148	2.1
451.07434	1.0
503.32025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22226	0.3
59.01371	0.8
61.98829	100.0
64.44685	0.3
71.01382	0.5
71.52652	0.5
85.03002	0.5
87.00890	1.1
89.02456	0.4
97.55591	0.4
108.02187	0.3
137.02510	0.7
167.03531	0.5
171.60022	0.3
271.02225	0.4
332.59454	0.4
333.69583	0.4
393.97922	0.4
510.23013	0.4
510.35452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95803	0.4
59.01372	1.4
61.98829	100.0
69.36724	3.3
71.01393	0.4
76.42974	0.3
78.71338	0.4
85.02980	0.5
123.04559	0.5
137.02379	0.4
153.90636	0.3
167.03508	0.6
247.50859	0.4
293.95612	0.4
307.87167	0.4
349.19922	0.5
470.63669	0.4
502.80624	0.4
511.25305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27835	0.7
51.85991	0.7
57.03463	1.3
58.00589	1.2
59.01377	28.3
61.98528	1.1
61.98827	13.3
69.03448	1.1
71.01380	13.1
71.05045	1.0
71.52226	0.8
72.99292	3.7
73.02943	8.8
81.03459	2.2
83.01345	1.6
83.05019	4.2
85.02950	6.1
87.00869	2.1
89.02445	9.5
93.03435	0.7
95.01400	0.9
97.03003	0.9
99.00871	1.7
101.02441	16.8
103.04008	10.4
108.02118	0.9
109.02942	1.4
111.04515	2.5
113.02431	1.3
115.03982	1.7
119.03483	3.9
125.02448	13.9
127.04012	8.3
131.03522	1.3
137.02443	1.6
143.03487	1.5
143.10776	100.0
144.11107	2.6
145.05078	2.4
150.03311	1.0
151.00369	3.1
151.04002	1.0
152.01151	0.8
155.03485	5.4
163.06120	13.9
163.07414	1.3
167.03519	0.9
182.17987	0.7
199.02428	3.8
205.07205	2.7
217.03505	8.5
247.08212	2.3
285.03894	0.9
303.05206	1.6
307.10324	9.5
449.10953	2.0
451.21805	1.9
451.32919	0.8
511.18091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.5
62.60116	0.4
63.56892	0.4
78.95899	19.6
96.96957	1.6
98.19836	0.7
152.99579	27.9
157.57101	0.5
169.85632	0.5
171.00630	1.4
195.13364	0.5
227.03214	4.8
238.05881	0.4
245.04289	1.2
281.24841	100.0
282.25186	8.0
417.24103	0.8
493.14294	0.7
509.28806	53.4
510.29153	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	510.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69458	0.4
56.26423	0.4
61.98830	100.0
64.02080	0.3
70.27914	0.3
71.50212	0.6
78.41731	0.4
83.98772	0.4
96.19870	0.4
96.95990	2.5
99.78024	0.4
106.95055	0.4
107.22019	0.4
110.93855	0.4
115.92094	0.4
122.84051	0.5
125.02449	0.6
154.17279	0.3
169.01459	0.6
187.93759	0.4
197.46307	0.4
219.47131	0.4
236.95134	0.4
419.63272	0.4
427.11707	0.5
448.22403	0.4
538.61212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98829	100.0
69.55890	0.5
69.56301	1.1
69.96827	0.2
71.01376	0.4
84.90479	0.2
85.02956	0.2
88.98811	0.3
89.07180	0.3
101.02472	0.3
108.02164	0.5
108.72582	0.2
109.03022	0.4
121.80677	0.3
123.18825	0.3
124.32759	0.3
125.02439	0.8
128.98012	0.2
137.02461	0.4
144.59248	0.2
149.02446	0.3
152.01175	0.6
161.02460	0.3
165.64003	0.3
175.88374	0.3
180.38167	0.3
209.11908	0.3
343.08044	0.3
510.20694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14515	0.4
54.88948	0.4
57.03430	0.8
59.01384	7.2
61.98830	4.3
65.00306	0.7
67.01875	1.2
69.03459	0.5
71.01385	5.9
71.52002	0.6
72.99317	0.7
73.02948	1.2
75.00872	1.8
79.01881	1.0
83.01360	0.8
85.02951	2.7
87.00875	0.9
89.02438	2.8
91.01885	0.9
93.03453	1.3
95.01392	2.0
97.02900	0.6
99.00887	0.7
101.02426	3.1
107.01379	4.0
108.02174	1.8
109.02969	1.3
111.00885	1.8
113.02427	1.7
119.03498	1.0
120.08168	0.7
121.02980	0.5
123.00888	12.4
123.04507	5.0
124.01654	0.7
125.02442	15.6
126.02735	0.8
127.00386	0.8
136.98798	1.0
137.02428	3.1
138.05573	0.7
139.00375	4.4
140.01137	1.6
141.01932	1.7
146.03758	0.9
151.00368	10.2
151.04005	1.1
152.01091	1.3
153.01941	1.5
153.05544	0.8
161.04642	0.5
163.03934	0.6
164.04677	0.5
165.05595	0.7
166.02701	1.3
167.03499	15.4
167.04903	0.8
167.07112	0.7
168.00656	2.6
168.03784	0.6
169.01425	22.2
170.01804	0.8
179.07137	1.1
181.05031	1.7
182.05833	5.9
184.07251	0.5
192.93616	0.4
194.02190	0.9
195.03001	0.5
195.10294	1.0
197.08148	3.8
209.04547	7.4
210.73146	0.4
211.02463	4.7
212.02879	0.5
239.05580	1.2
269.06592	1.9
271.04544	5.3
301.37802	0.4
303.13391	0.7
311.07697	5.5
313.05756	2.3
327.10739	0.5
509.16617	100.0
510.17004	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01377	18.3
61.98828	100.0
68.00939	0.7
69.51389	0.6
71.01381	19.3
72.99316	1.5
73.02940	5.0
75.00878	5.7
82.89710	0.6
83.01408	1.2
85.02940	6.4
87.00862	1.5
87.04489	3.1
88.98827	1.1
89.02443	10.6
95.01403	1.8
98.19924	1.6
99.00916	1.7
101.02438	13.1
101.66610	0.7
107.01377	0.8
108.02167	1.0
109.02974	1.1
111.00953	0.9
113.02450	8.1
119.03500	4.2
120.01235	0.7
123.00890	1.6
123.04549	2.0
125.02445	8.6
126.02811	0.8
135.04643	0.7
137.02496	0.8
139.07622	0.8
143.03546	1.9
149.02423	0.7
151.00407	0.9
151.04027	1.9
152.01212	1.1
152.03534	1.4
152.10519	0.7
155.03539	0.7
159.03008	1.8
161.04559	11.1
161.05904	1.1
165.01962	0.7
166.02609	1.0
167.03497	4.1
167.07161	1.5
169.01442	5.0
169.12363	1.2
179.05620	5.8
180.04329	1.1
181.05042	1.4
195.06618	1.0
197.11842	1.4
209.04646	2.5
218.94312	0.6
222.24908	0.6
225.07835	0.7
227.16289	0.6
235.08270	2.1
245.04642	0.8
267.11597	0.6
269.17667	3.1
287.18719	2.2
347.14862	0.9
389.25430	1.1
449.23911	22.4
450.24384	1.9
477.20056	1.6
499.95477	0.8
509.16446	8.3
509.30093	4.0
510.17035	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	509.1303
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
51.30419	1.0
56.64796	1.0
57.03449	2.1
58.00575	1.0
59.01377	11.7
61.98829	15.7
68.99798	0.8
69.03458	1.1
71.01012	1.1
71.01376	10.4
72.99297	2.6
73.02934	3.9
75.00871	5.1
78.91862	1.5
79.01852	1.0
79.52899	1.1
80.02666	1.0
81.03420	1.3
83.01375	3.4
83.05016	1.2
85.02959	7.1
87.00867	2.6
88.98788	2.0
89.02430	3.9
93.03455	2.7
95.01347	2.0
95.05002	5.9
97.02927	2.9
98.20692	3.6
99.00877	6.9
101.02425	4.0
107.01382	4.6
107.04998	2.1
108.02172	2.0
109.02958	2.4
109.06588	2.0
111.00840	1.8
111.04484	2.1
113.02458	6.0
113.06091	3.1
119.05025	97.0
119.50535	0.9
120.01270	1.9
120.05337	2.7
121.02925	3.3
123.00899	7.5
123.04492	4.4
125.02446	33.4
126.02722	1.5
127.04031	1.4
129.01913	1.4
131.03542	1.0
133.02975	1.2
135.04523	4.7
135.54651	0.9
137.02411	6.2
137.06076	2.9
138.03174	3.0
139.00357	3.0
139.03986	3.4
140.01112	1.6
141.01973	1.2
149.02448	1.0
149.04483	2.0
150.03174	1.2
151.00316	5.1
151.03999	3.2
151.07668	1.2
152.01141	1.4
153.01891	3.1
153.05544	4.1
155.10751	1.0
159.04478	0.9
161.02339	2.3
161.04451	1.3
162.02977	1.1
163.04005	56.8
164.01059	1.2
164.04312	1.6
165.01909	11.5
165.05544	1.3
166.02335	1.8
166.05035	2.5
167.03535	2.1
168.00644	2.3
169.01422	29.8
170.01755	1.4
171.41640	0.9
177.01892	1.0
179.03453	1.2
181.05035	3.8
183.02960	2.2
191.05627	1.2
193.01340	2.5
195.06641	9.8
196.96002	2.6
199.06152	1.1
199.09732	1.9
201.03955	5.9
207.13976	1.0
210.04071	2.5
211.02513	1.9
225.03978	1.5
225.07675	1.0
236.02667	0.9
241.07106	1.3
243.05104	1.6
261.07590	1.3
271.04578	2.2
289.07220	1.2
299.01859	0.9
313.05652	6.0
314.03909	1.2
329.06702	3.6
345.08139	4.0
347.07681	9.7
371.07550	1.5
441.28937	1.0
449.16528	1.8
461.18121	3.4
491.12189	3.2
509.12903	100.0
509.21375	3.8
509.29654	4.2
509.33200	7.8
510.13168	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	509.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.9
59.01375	2.8
61.98827	3.4
63.71777	0.4
65.00317	1.2
69.86230	0.4
71.01379	1.9
71.36823	0.3
71.51479	0.6
72.49996	0.4
72.99307	0.8
73.02959	0.4
78.95914	0.4
81.03459	6.8
83.01385	4.4
85.02975	0.7
88.98819	0.4
89.02461	0.7
93.03459	0.8
95.01400	0.6
95.05025	1.1
97.02979	0.9
101.02433	1.1
105.01929	0.6
107.01407	1.5
108.02149	0.8
109.02953	1.1
119.05025	0.5
121.02954	1.4
122.06161	0.6
123.00916	0.5
123.04526	34.9
124.01654	0.8
124.04852	0.9
125.02448	17.9
126.02784	0.5
134.03709	0.9
137.02457	2.3
138.05602	1.4
139.04037	1.3
141.09181	0.8
145.02986	0.5
146.06136	0.8
146.28084	0.5
149.02470	3.0
151.00388	1.9
151.03984	0.7
153.05586	0.5
159.04533	0.4
160.01686	0.9
161.02477	0.5
163.04022	1.1
165.01971	0.7
166.02737	2.0
167.03496	100.0
168.00641	1.4
168.03828	3.2
169.01379	0.5
175.03972	0.4
179.03514	0.6
181.05078	7.0
182.02214	0.6
183.02977	1.7
183.04370	0.4
191.03526	3.7
193.05101	0.4
197.04559	1.3
205.05067	0.5
209.04553	1.6
219.02986	1.3
237.04030	0.6
245.88094	0.4
246.37291	0.4
273.07605	1.0
289.07291	0.5
299.07724	0.5
327.07257	5.4
327.13232	2.0
341.08676	2.9
509.12735	2.2
509.29871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26290	0.4
52.90707	0.4
61.92930	0.4
61.98828	100.0
69.78021	2.3
75.01620	0.5
75.63126	0.4
110.87707	0.4
125.02475	0.6
126.52541	0.4
131.96141	0.4
138.13153	0.4
140.75299	0.4
147.44843	0.5
195.90233	0.4
323.93326	0.5
346.12076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98830	100.0
67.14045	0.2
69.42883	0.4
69.43297	1.2
71.01401	0.3
72.99329	0.3
75.00866	1.4
78.91906	0.3
85.02995	0.3
87.00881	0.2
98.19923	0.5
122.03707	0.3
125.02470	0.8
135.04512	0.4
137.02444	0.3
151.03880	0.2
152.03546	2.3
161.05972	0.2
161.70537	0.2
165.01953	0.4
167.07181	0.5
169.01460	0.5
180.07901	0.6
182.05862	0.3
195.06645	0.5
225.07718	0.3
317.13998	1.1
329.13852	0.4
341.17157	0.2
347.15012	5.0
347.19098	0.4
348.15488	0.3
389.25351	0.5
415.26950	0.4
424.72406	0.2
446.13208	0.9
480.35361	0.2
509.21844	0.5
509.28799	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
65.96214	0.8
70.67534	1.4
74.78526	0.7
78.95902	26.3
96.96958	2.1
152.99588	32.5
163.42905	0.8
171.00665	1.6
227.03300	4.7
245.04424	1.4
249.87457	0.9
270.22418	0.8
279.23276	100.0
280.23526	7.0
411.66553	0.9
507.27255	53.7
508.27582	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07382	1.1
59.01394	1.6
69.03458	2.8
69.91301	1.9
69.91691	1.9
84.61272	0.9
93.35764	0.9
98.19968	1.2
99.14629	0.9
101.00689	1.0
111.08155	2.2
165.12865	10.8
167.10773	3.1
179.14482	1.3
183.13895	100.0
184.14259	4.6
195.13895	8.7
205.12367	7.7
209.11862	7.3
223.13397	54.3
223.15643	1.9
224.13777	2.7
227.12936	6.0
281.23764	1.3
283.15552	1.5
301.16531	9.4
345.53040	1.0
353.24857	1.3
361.27551	2.7
389.26932	3.7
463.30701	2.3
507.29626	12.5
508.30038	2.3
515.05469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37722	0.5
54.50067	0.5
55.01874	3.4
57.03455	4.2
58.00594	1.0
58.76284	0.5
59.01381	21.6
61.98831	4.1
67.01878	0.5
71.01383	44.8
71.51472	0.6
72.01712	0.6
72.99307	2.4
73.02949	13.3
75.00891	1.2
81.03442	0.6
82.36502	0.5
83.01395	7.2
85.02953	21.8
86.00098	0.7
87.00866	1.4
89.02445	6.9
93.03431	0.6
95.01402	3.7
96.96049	0.5
97.02971	1.3
99.00871	5.6
101.02445	28.1
102.02781	0.7
108.02168	1.8
109.02972	3.8
111.00897	3.2
111.04514	0.6
113.02453	18.2
119.03481	3.3
119.05019	0.7
119.42010	0.5
121.02959	1.0
123.04572	1.2
124.01658	0.8
125.02405	1.8
129.01932	0.8
131.03397	0.5
132.02068	0.6
132.02991	0.6
133.02962	1.2
134.03780	0.6
135.11667	0.6
137.02486	0.9
139.04008	0.7
143.03523	1.3
149.02467	0.7
150.03268	2.7
151.03998	3.9
152.01151	1.6
153.01968	0.8
155.03499	0.7
159.03006	4.0
160.01659	1.9
161.04546	14.1
162.05020	0.7
163.04021	1.0
165.01888	0.5
175.04004	1.9
177.01920	7.1
178.02451	0.5
183.13847	1.7
185.04597	1.3
193.12332	0.8
199.02400	0.6
202.06302	0.7
211.13391	24.9
212.13753	2.0
213.18549	1.2
231.05022	2.6
246.65431	0.5
253.09262	3.2
299.26004	0.9
311.05569	2.8
329.07019	1.1
339.29269	0.5
345.30115	6.4
447.22357	1.3
475.12442	2.3
477.19131	1.3
507.35364	100.0
508.35800	12.4
526.16498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58691	0.8
54.17768	0.8
57.33934	0.8
59.01107	1.4
59.01380	16.6
61.98825	8.2
66.03476	1.1
69.44347	7.3
70.53730	0.8
71.01383	9.6
73.02928	2.2
82.15900	0.8
82.95430	5.2
83.01385	1.1
85.02949	3.8
89.02440	5.0
93.03454	1.2
97.02951	1.1
101.02448	7.5
107.01384	1.1
109.02934	10.6
110.02479	4.8
111.04520	1.4
113.02431	4.2
114.35027	0.8
119.03499	1.3
119.05016	1.2
122.10660	0.8
123.00893	1.7
125.02431	1.3
127.04031	1.7
131.73860	1.0
133.02937	0.9
135.04541	4.2
135.52419	0.8
137.02420	2.5
152.01151	1.8
153.01932	16.0
155.03514	1.8
161.04517	2.0
163.04044	1.3
167.03526	1.1
176.23468	1.0
177.01929	1.9
179.03505	3.1
179.05450	1.0
183.13875	6.5
193.12334	1.7
211.13380	100.0
212.13701	4.8
223.02254	1.1
231.05093	2.6
253.09280	12.7
280.40848	0.9
286.61725	0.9
308.11224	1.2
415.87357	0.9
431.18042	3.4
447.22281	5.0
479.22900	1.1
502.49484	0.9
507.22348	37.0
507.35291	2.4
508.22748	4.7
508.34430	1.1
519.43396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61790	0.8
57.03435	0.9
59.01377	100.0
60.01706	1.0
61.98824	2.7
62.31695	0.8
69.28692	0.8
69.54301	1.6
69.54707	4.0
71.01365	5.8
72.23543	0.8
73.02956	2.1
75.00877	2.5
85.02971	2.3
89.02482	0.8
90.25257	0.8
95.01376	1.4
101.02431	2.3
105.01938	1.9
113.02451	2.0
120.01257	0.9
125.02443	3.2
128.73471	0.8
133.05029	1.8
133.93759	0.8
144.98253	0.9
151.04053	2.0
153.01962	0.8
153.05598	1.7
161.04553	5.9
165.01910	1.6
181.05055	36.5
182.05408	1.7
191.38808	0.8
196.07388	41.3
197.07764	1.5
211.09749	89.5
212.10098	4.1
235.08191	5.4
285.03983	0.8
285.16888	1.8
326.38321	1.0
434.30878	1.1
447.18628	2.9
507.11087	1.6
507.28223	2.0
522.05078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
95.82873	2.4
98.20647	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	506.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19480	1.6
61.98831	100.0
65.98662	1.8
97.11174	2.0
181.56876	2.0
198.61644	1.8
298.14795	1.8
313.67752	1.9
437.36752	1.7
447.27023	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	507.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52192	2.7
71.49637	3.6
75.00881	5.4
80.49831	2.8
87.00877	20.9
95.38960	2.6
96.21288	2.5
105.01936	25.5
116.63393	2.7
120.28977	2.5
121.02947	13.4
126.98833	4.4
147.02997	6.8
165.02017	13.8
165.04045	100.0
258.84869	3.2
279.42062	2.6
352.07559	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.55371	0.9
71.07675	0.4
79.53305	0.5
83.07897	0.4
93.07940	0.4
94.62541	0.4
101.02437	0.5
105.45269	0.4
152.80261	0.4
196.67313	0.4
199.09302	0.4
219.98308	0.4
391.51355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69317	41.3
55.74477	45.4
59.45151	41.5
60.00219	36.1
61.98809	100.0
68.12212	38.0
96.96012	64.9
102.43746	45.6
105.26028	38.8
109.10828	43.4
115.68869	38.6
251.49991	61.5
343.78720	41.6
356.17947	42.2
441.53427	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78239	0.6
53.50895	0.7
55.01874	3.7
57.03453	3.9
58.00587	1.1
59.01109	1.2
59.01381	18.6
61.98816	2.6
71.01381	39.8
72.99299	2.0
73.02946	16.1
75.00859	1.0
78.95885	1.2
83.01386	10.8
85.02950	25.4
87.00856	2.7
88.55048	0.8
89.02430	4.1
95.01369	3.5
97.02960	1.4
98.19844	1.4
99.00880	7.8
101.02441	37.6
104.88209	0.6
109.02988	1.0
111.00881	5.8
113.02438	14.7
119.03508	1.3
120.89402	0.6
121.10272	1.4
125.02434	1.5
129.01955	0.9
131.03522	0.7
137.02446	1.0
141.01947	0.8
143.03542	1.6
159.03041	3.6
161.04556	10.7
177.63428	0.7
185.15385	0.7
209.11737	2.3
247.24300	0.7
254.96390	0.7
330.26245	0.7
343.28406	7.1
347.21002	0.7
349.89587	0.8
403.74039	0.8
445.31583	1.4
469.31616	0.8
475.32700	2.1
487.32855	1.0
505.33826	100.0
506.34094	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	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.7
62.52569	1.0
69.90187	1.0
70.32092	1.0
71.01347	2.3
71.33793	2.3
72.48066	1.0
73.02952	1.4
80.28239	0.9
80.86137	0.9
89.02405	1.9
101.02440	2.2
103.04015	1.9
119.12103	1.0
123.03266	9.7
125.02404	1.8
138.01978	4.6
138.05609	100.0
139.05923	2.1
163.06134	1.8
180.06656	1.3
192.19339	1.0
278.64682	1.1
307.10440	1.6
341.70456	1.1
400.31223	1.3
403.12097	1.1
446.16632	32.2
447.16840	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	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
57.03443	3.1
57.91275	0.5
58.00597	1.4
59.01379	28.0
61.98831	3.2
67.20517	0.5
67.32303	0.5
68.99826	0.7
69.03437	0.8
71.01382	60.0
72.01705	1.0
72.99310	2.4
73.02944	18.4
74.03297	0.6
74.45995	0.5
75.00872	1.4
82.10500	0.5
83.01384	8.9
85.02950	29.0
86.00086	1.3
86.03261	0.5
87.00874	2.4
89.02444	12.7
94.76919	0.6
95.01397	6.0
97.02940	1.0
99.00872	7.3
101.02444	40.4
102.02789	0.7
105.54545	0.5
111.00881	5.4
113.02451	23.6
119.03500	4.8
121.02962	7.7
125.02448	2.7
129.01920	1.1
137.02434	1.4
143.03499	2.2
151.04059	0.7
159.02972	5.7
161.04550	20.2
165.01923	0.7
170.86264	0.5
179.76057	0.5
181.72209	0.5
185.57597	0.6
205.03531	0.8
211.60124	0.6
258.62357	0.6
291.23285	0.6
318.43839	0.6
332.37100	0.6
343.28531	5.6
344.29004	0.6
385.13098	0.9
466.40628	0.7
475.32495	0.8
487.14108	0.8
505.33850	100.0
506.34027	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	505.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
57.03444	2.6
59.01379	30.4
61.98835	6.1
69.21654	6.5
70.64973	0.8
71.01381	44.9
71.90948	0.8
72.99312	2.2
73.02943	18.2
75.00863	1.2
83.01389	8.6
85.02948	22.5
85.21266	0.8
87.00875	5.4
89.02437	14.3
95.01387	3.6
97.02956	1.5
99.00877	13.3
99.05682	0.8
101.02441	34.3
109.02943	12.3
111.00877	2.2
111.04504	1.1
112.01685	0.9
113.01717	1.3
113.02451	18.7
119.03478	2.8
123.00887	1.8
123.04504	1.8
124.01633	1.9
125.02451	3.4
131.03549	1.2
137.02452	1.9
143.03490	2.1
149.04568	2.4
151.04016	1.0
152.01105	8.4
153.01936	22.6
155.03554	1.0
159.02992	2.3
161.04547	17.4
166.02675	2.0
167.03513	0.9
181.05098	2.2
191.05592	2.7
195.02974	34.9
196.03282	1.4
200.46289	0.9
211.17033	1.0
225.04066	2.2
255.05083	63.2
256.05536	4.0
256.07721	0.9
343.11783	2.0
343.15570	1.7
364.65112	1.0
373.22299	32.5
374.22745	2.9
417.15366	1.1
505.26590	100.0
506.26910	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	505.2077
Annotation	Aviculin
Peak:m/z	Relative Intensity
57.03442	1.3
58.55281	1.0
59.01384	15.2
61.98534	1.5
61.98832	20.2
71.01383	12.7
71.51964	1.9
71.52358	1.2
72.99300	1.2
73.02930	2.6
78.40616	0.9
81.03440	1.4
83.01388	1.9
83.05019	1.4
85.02927	4.8
85.90298	1.0
88.04032	7.9
89.02448	5.9
89.04433	1.3
93.02860	1.8
93.03458	35.4
95.01385	2.5
95.42407	1.0
99.00897	2.2
101.02457	6.3
107.28989	0.9
108.02164	1.0
109.02943	2.4
111.04498	2.3
113.02476	5.2
115.00375	2.8
119.03500	1.6
121.02917	1.1
123.00892	1.1
123.04475	1.2
125.02445	2.5
127.04020	2.7
132.02086	1.8
132.03027	25.8
133.03336	4.4
135.04492	1.8
136.01668	8.2
136.05226	1.4
136.07632	1.1
137.02443	84.6
138.02763	3.2
149.02380	2.2
151.04016	2.6
151.07690	1.7
152.08403	3.0
153.09180	2.5
155.03462	2.9
161.04494	2.0
163.03934	1.4
163.11307	1.7
177.76028	1.0
179.03494	25.1
179.96449	0.9
196.97794	1.0
199.02457	1.9
202.47908	1.2
205.12332	10.1
209.04533	2.1
209.11729	1.3
210.04692	1.0
223.13446	1.0
225.11292	1.1
239.05548	12.7
261.05475	1.5
281.06653	5.3
283.09671	3.5
311.09216	9.0
325.10522	1.9
326.11511	5.3
332.49734	1.1
341.13934	12.0
342.14154	1.5
353.12625	1.1
373.22083	1.7
505.20706	100.0
506.20834	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2656
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01866	1.5
57.03435	1.8
58.00591	1.1
59.01379	39.3
60.27633	0.5
61.98816	1.9
64.93598	0.4
68.62656	0.4
69.61956	2.8
71.01382	36.8
71.05042	0.5
71.68266	0.4
72.99310	2.1
73.02551	0.9
73.02947	10.4
75.00863	0.6
76.93644	0.5
81.29260	0.4
83.01382	3.0
85.02454	0.7
85.02952	10.8
87.00874	1.3
89.02447	27.1
94.68044	0.4
95.01384	2.5
96.96001	0.5
99.00882	13.3
99.52731	0.5
101.02440	24.7
109.02972	0.5
111.00909	0.5
111.04591	0.7
111.51452	0.5
113.02449	14.9
114.02789	0.6
119.03503	8.9
125.02457	1.7
127.04037	0.9
129.01915	0.7
131.03473	2.0
132.03061	0.6
137.09712	1.1
138.22369	0.4
140.53447	0.5
143.03494	1.7
149.04538	1.5
159.02945	2.4
161.04555	13.3
161.05881	0.7
179.05650	1.1
191.05559	1.3
196.55466	0.4
199.02501	0.7
209.11797	0.5
211.17078	1.8
222.56430	0.5
373.22296	22.1
374.22665	1.9
505.26559	100.0
506.26865	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	505.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05605	0.8
52.21842	0.8
55.01880	0.9
57.03435	1.3
58.00571	1.0
59.01374	21.3
59.01651	1.6
61.98834	7.1
71.01383	12.2
71.52059	1.7
72.99298	0.9
73.02953	2.9
75.00848	1.8
83.01398	2.3
83.05027	0.9
85.02951	5.6
87.00879	1.7
88.98811	0.7
89.02446	5.6
92.02719	1.0
93.03457	44.2
94.03800	0.9
95.01392	2.5
95.05072	1.0
96.96016	1.3
99.00891	1.5
101.02448	9.6
107.01318	1.0
107.05035	2.4
108.02161	3.8
109.02951	7.6
111.00899	1.2
111.04516	1.2
113.02448	6.0
119.03537	1.0
121.02942	2.8
123.00919	1.0
123.04517	4.4
124.01661	1.5
125.02448	3.7
127.04010	2.0
132.55507	0.9
133.02965	2.1
134.02716	1.6
134.03738	24.6
135.04527	2.3
136.01654	20.9
137.02441	100.0
138.02736	1.9
139.03983	1.7
149.02472	2.9
149.06107	5.4
151.00337	1.7
151.03986	8.5
152.01157	2.4
153.01935	8.4
155.03542	2.2
161.04527	1.8
161.09715	2.5
163.03992	1.4
165.01889	1.0
167.03456	6.5
167.09027	1.4
178.02711	14.8
179.03488	74.7
179.10735	2.8
180.03838	2.7
191.03496	1.0
192.04259	4.5
193.05054	25.2
194.05418	1.3
199.02467	1.7
205.04984	0.9
207.02942	1.2
207.06679	1.7
209.04536	25.0
210.04764	1.0
211.07895	2.3
239.05597	91.6
240.06038	4.1
255.02986	2.4
256.03751	1.5
279.02759	1.0
281.06775	8.3
285.03784	1.2
297.06128	10.8
298.06500	0.9
299.07715	13.0
309.07718	1.2
311.07706	12.2
369.13486	4.6
407.07730	5.2
444.24802	0.9
461.12863	1.6
461.18234	2.6
462.18909	1.0
463.21777	1.4
505.14029	15.1
505.22433	1.1
505.30136	2.7
506.14691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01370	3.1
60.99311	15.9
61.98811	3.2
69.23147	8.7
71.01392	1.6
75.00874	1.1
79.55693	0.8
84.94639	0.9
85.96295	0.7
88.98803	100.0
89.02435	7.0
99.00881	1.8
106.17125	0.8
107.31073	0.9
113.02438	1.1
125.02429	2.2
156.42694	0.9
191.05751	1.3
288.96991	1.0
366.18961	1.0
415.15674	1.2
479.21429	1.0
490.05862	1.0
505.26575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03444	0.9
59.01105	0.5
59.01381	6.5
59.69479	0.3
59.98524	1.4
61.98841	1.7
63.99244	0.3
68.99809	0.6
69.36047	0.8
69.36472	1.6
71.01381	11.4
72.99319	2.8
73.02942	1.3
75.00870	7.3
80.30700	0.3
83.01389	1.0
85.02950	7.8
87.00893	2.3
89.02451	3.2
95.01380	1.4
97.02950	0.7
98.03747	0.5
99.00883	9.4
99.04525	1.2
101.02436	1.8
103.00391	0.9
109.02966	0.7
111.00896	0.7
113.02458	10.5
115.00379	1.6
117.01956	1.0
119.03513	0.6
125.02448	1.3
127.00366	0.4
127.03992	0.3
129.01918	0.7
131.03488	0.4
137.02394	0.4
139.00430	0.5
141.01974	0.9
143.03503	1.3
154.99872	0.4
155.03542	0.6
157.01424	5.4
159.02939	0.4
161.04561	1.2
165.01964	0.4
167.10777	100.0
168.11108	3.9
175.02493	1.8
175.03822	0.3
179.05611	0.6
188.24870	0.3
193.03490	2.9
199.02451	1.2
217.03539	4.4
218.22688	0.3
235.04562	0.8
259.04581	0.7
277.05640	6.5
278.06036	0.4
285.98648	0.3
289.07349	0.6
319.06671	1.9
337.03635	0.7
337.07730	11.4
338.08176	0.7
355.08795	1.4
369.13617	0.4
381.49637	0.3
397.06183	0.3
505.19281	5.1
505.25900	0.4
506.19571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13143	1.3
54.75601	1.3
55.01873	1.9
57.03437	2.8
57.98317	1.4
59.01379	32.3
61.98819	3.9
62.09798	1.3
69.03457	14.8
71.01379	43.6
71.50536	2.2
72.99307	10.0
73.02937	10.7
75.00873	28.4
78.95863	1.3
79.01881	8.2
83.01412	1.6
85.02947	26.0
86.00095	1.8
87.00870	15.7
87.04514	2.3
89.02435	12.6
91.01896	1.6
95.01380	7.8
96.96011	1.7
96.96987	1.4
97.02944	10.2
99.00881	21.7
101.02438	20.3
103.03976	6.9
104.36851	1.3
107.01381	15.0
108.02181	19.1
109.02942	4.7
111.00893	3.3
113.01715	2.3
113.02451	30.0
115.00391	3.9
115.03998	2.3
115.92075	3.6
116.92863	1.6
119.03478	5.8
121.02976	1.6
123.00867	5.1
123.04521	1.4
125.02455	17.5
127.04006	2.8
129.01924	2.1
131.03485	4.9
135.00885	54.4
137.02426	1.9
139.00369	1.6
143.03497	7.6
145.01460	2.5
145.05080	3.6
146.03769	3.4
151.00362	4.5
151.03990	2.8
152.01143	39.7
153.01964	8.2
157.01357	6.1
161.04663	3.3
161.06042	2.8
163.03992	2.7
163.06143	16.3
164.04817	4.1
165.01929	2.0
166.02693	9.3
167.03485	53.9
167.04932	2.6
175.02473	4.9
177.01883	1.6
179.07141	9.9
193.05011	1.5
205.07173	10.5
217.03548	3.8
233.72910	1.4
242.34164	1.5
277.05688	3.7
297.06146	2.8
315.07141	13.1
337.07764	4.0
418.40378	1.5
427.08917	2.3
429.10352	10.3
441.56232	1.4
444.44803	1.5
445.10031	1.4
473.09341	13.0
487.11023	2.0
505.12012	100.0
505.19119	10.8
506.12286	8.0
506.19296	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	503.3015
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
55.97068	0.6
57.03432	1.3
59.01366	1.0
61.98819	1.4
66.11160	0.6
67.14208	0.6
69.03459	6.3
69.47616	1.4
69.48042	2.7
71.01407	0.9
75.32523	0.5
80.92892	0.5
83.05006	1.0
101.02413	0.6
107.05026	2.4
109.06586	53.4
110.06893	0.9
113.02502	0.6
125.09718	1.6
128.88719	0.6
142.53786	0.6
187.09779	1.5
194.61665	0.6
209.11772	1.2
259.20718	0.6
289.21704	2.1
313.21591	0.6
327.23209	2.7
329.24814	22.1
330.25211	2.3
331.22672	1.1
357.23413	1.1
357.27982	18.7
358.28336	2.0
365.24918	1.1
383.25854	11.6
384.26212	1.5
401.26920	55.1
402.27328	6.8
440.90659	0.7
445.25940	20.8
446.26321	2.0
459.31143	23.1
460.31467	2.7
503.30118	100.0
504.23679	0.6
504.30554	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	503.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.74114	1.9
65.67603	1.9
70.42134	2.1
71.49834	2.4
78.70341	2.1
83.39720	2.1
84.54684	1.8
86.12104	2.0
122.61346	2.1
163.54353	1.9
228.63994	1.9
232.80750	2.1
434.49103	2.1
471.40384	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	504.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01381	3.4
61.98827	10.7
69.03448	0.9
69.17783	7.8
71.01384	1.4
81.03468	2.0
83.01406	0.9
88.98743	0.9
95.01384	0.9
95.05034	1.0
97.02958	2.6
102.97945	0.9
107.01367	1.5
109.02956	8.3
121.02979	1.6
123.00922	1.7
123.04536	5.3
125.02445	61.2
126.02734	1.6
135.04539	1.5
137.02422	6.6
139.03998	1.0
140.01112	0.9
145.02977	1.9
149.02448	2.0
151.04005	4.6
153.77658	0.8
159.04526	1.0
161.06064	2.3
165.01884	1.9
166.99828	1.9
168.00618	1.5
169.01422	100.0
170.01746	2.4
179.03464	2.7
185.06062	1.0
187.04059	1.1
188.04828	1.4
193.01410	4.5
203.07123	4.9
205.05031	2.9
227.07123	1.2
245.08199	7.4
253.05112	1.3
271.06131	5.1
289.03949	1.7
289.07190	32.7
290.07596	2.9
303.05035	1.5
331.04572	1.4
357.78619	0.9
397.09177	0.9
409.18411	0.8
441.08228	34.7
442.08655	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27131	1.3
52.88741	1.4
57.03432	1.4
58.00591	2.0
59.01379	50.5
61.98827	4.6
62.61305	1.3
69.03425	1.4
69.25932	13.0
71.01381	49.4
72.99295	2.6
73.02943	30.9
85.02938	17.5
87.00876	2.4
88.98811	1.6
89.02442	81.1
95.01414	7.5
98.19849	2.7
99.00880	100.0
100.01199	2.5
101.02432	11.4
101.85488	1.3
113.02454	37.8
113.97982	1.4
114.02823	1.5
119.03487	3.4
125.02445	1.5
128.03574	1.7
131.03499	21.8
143.03470	1.5
149.04555	79.7
150.04915	2.7
158.01155	1.3
161.04530	17.3
173.95828	1.3
190.16882	1.6
191.05606	36.7
233.06657	12.9
284.22583	1.5
293.08871	3.1
307.07956	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	503.2496
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
53.76140	0.4
55.01876	3.4
57.03448	3.7
58.00589	1.3
59.01378	27.8
59.25357	0.4
61.98797	0.5
64.35128	0.4
64.95229	0.4
68.99812	0.5
69.03452	0.9
69.28004	2.4
69.28427	1.2
71.01379	41.1
72.01732	0.7
72.99298	1.4
73.02945	13.9
75.00880	0.9
83.01387	7.3
85.02946	21.0
87.00868	1.6
88.04045	5.9
89.02442	13.2
89.04365	1.0
95.01389	2.8
97.02919	1.2
99.00876	11.8
101.02437	31.4
102.02788	0.7
111.00880	0.9
113.02445	17.1
114.01959	0.8
114.02721	0.4
115.00362	2.2
118.51926	0.4
119.03500	2.2
123.51785	0.4
125.02407	1.6
127.26852	0.5
129.01959	0.8
131.03493	1.8
132.03026	18.5
133.03394	4.4
137.02463	0.4
137.09674	0.5
143.03476	1.5
149.04514	1.3
159.02992	2.9
161.04543	15.4
168.10275	0.4
188.48105	0.4
191.05592	1.2
209.15450	7.1
210.15669	0.5
238.46243	0.4
272.85687	0.4
301.07773	0.4
311.99951	0.4
370.13663	1.0
371.20706	39.3
372.20990	4.1
503.24951	100.0
504.25369	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	503.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.6
61.98820	4.3
65.00343	1.3
65.03957	1.6
67.01870	2.2
69.03436	1.9
69.44844	2.6
69.45248	9.4
71.01380	11.6
73.02924	3.6
74.26784	1.4
83.01374	2.8
85.02951	3.3
88.04030	16.8
89.02446	6.1
89.04395	2.5
91.01888	5.2
93.03452	5.1
94.85359	1.2
95.01392	17.7
99.00854	3.2
101.02435	7.9
107.05013	2.9
108.02164	1.4
109.02950	18.6
113.02432	6.0
115.00356	5.3
116.92790	1.5
117.03449	3.2
119.01366	4.1
119.03497	1.7
119.04999	2.9
119.36324	1.3
121.02941	2.5
122.03733	1.8
123.04510	12.4
125.02419	4.1
131.59439	1.2
132.03021	62.7
133.03033	14.4
135.00890	3.2
135.04485	5.7
137.02434	11.5
137.06088	5.7
139.03973	1.3
141.28188	1.1
143.04668	1.6
147.04457	2.1
149.02454	4.2
149.04494	1.3
149.99556	4.2
150.03233	18.8
151.04001	26.6
153.01938	9.2
161.02415	6.8
161.04532	3.4
163.00381	8.0
165.05554	8.7
175.03946	4.7
177.01927	36.7
177.99190	2.0
178.02693	14.0
179.03491	12.3
187.04007	2.1
199.03961	1.7
202.99867	3.6
205.01401	100.0
206.02049	8.4
207.02953	1.4
217.05038	2.0
217.08722	1.8
233.00861	13.9
233.04393	1.5
234.01675	11.2
241.05110	1.4
243.02820	1.8
243.06772	1.4
254.07715	1.5
261.04034	2.4
267.06564	1.8
269.04553	2.4
281.06369	1.6
283.06033	1.5
295.09656	1.4
297.09872	10.1
306.07730	2.1
307.86584	1.3
311.05594	19.7
319.45639	1.5
321.04013	3.7
329.06558	5.2
339.05090	59.9
340.05362	4.4
356.05350	5.1
357.06140	40.8
358.06705	3.8
370.13669	5.4
371.20825	3.9
383.15067	8.3
443.12506	1.5
485.11179	1.8
503.11951	73.8
503.24075	13.0
503.32245	1.9
504.12451	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	502.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
69.49122	1.0
69.49524	2.5
71.01383	8.7
72.00922	0.6
73.02930	2.7
83.01400	1.7
85.02956	3.4
88.04042	30.5
89.02438	1.7
95.07547	0.5
97.02955	1.0
98.20689	1.1
99.00873	1.8
101.02457	4.5
109.02945	1.7
113.02441	2.5
114.01959	2.1
115.00383	8.8
118.87012	0.5
119.03584	0.6
123.04546	2.6
123.11774	0.5
125.02454	0.8
132.03032	100.0
133.03407	1.6
149.02519	0.8
151.04047	0.8
151.72247	0.5
159.02945	0.7
161.04567	2.4
161.05984	0.9
205.05013	1.1
209.15495	1.0
212.09279	1.7
217.08690	1.2
247.06165	0.8
302.56650	0.5
369.13412	6.5
370.13675	2.9
371.20679	5.9
503.24969	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	502.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00740	0.4
59.01371	1.4
61.98829	1.4
61.99132	0.3
64.44462	0.3
70.04513	0.8
70.04900	0.6
71.01378	4.3
72.00899	0.4
83.01379	0.8
85.02969	0.5
88.04042	27.7
89.02444	0.5
91.01889	0.7
95.01373	1.7
96.96049	0.3
97.02962	1.1
98.19964	0.4
99.00896	0.5
101.02467	0.4
109.02953	3.8
114.01978	2.4
114.99565	0.5
115.00378	10.1
116.92770	0.4
117.03446	0.7
119.01357	0.5
121.02979	0.8
122.03657	0.4
123.04511	2.5
125.02437	0.5
128.03598	0.7
132.03029	100.0
133.03078	2.1
135.00912	0.5
135.04541	0.8
137.02448	1.4
137.06140	0.5
139.04010	0.4
143.04659	1.3
145.02914	0.5
147.04408	0.4
149.02379	1.6
150.03253	2.3
151.03996	3.6
153.01945	0.4
159.04463	0.4
161.02437	1.0
161.04689	0.4
161.06094	0.7
163.00349	1.0
163.04016	0.9
165.05498	0.6
173.09622	0.4
174.03259	0.4
175.04076	0.8
176.04858	0.4
177.01901	4.5
178.02690	1.6
179.03462	1.1
185.06026	0.4
187.04034	0.5
199.03979	0.3
203.07185	0.5
205.01413	11.4
205.05101	1.3
205.08714	0.4
206.02225	0.6
212.09271	0.4
217.08655	1.0
225.05592	0.4
233.00975	1.7
234.01682	1.2
247.06116	0.5
254.07858	0.5
272.08887	0.7
283.13434	0.4
295.09567	0.5
296.10190	1.1
297.09796	1.2
306.07709	1.3
311.05652	2.2
325.14484	0.7
329.06641	0.7
339.05115	6.9
340.12729	0.4
356.05557	0.8
357.06235	4.2
369.13416	7.1
369.17651	0.6
370.13776	0.7
383.14954	0.8
411.51102	0.4
503.04495	0.5
503.11926	7.6
503.24088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.02960	0.9
59.01375	3.3
63.57568	0.7
71.01372	1.8
74.02463	1.2
84.04545	14.7
85.02939	1.2
86.06123	0.9
88.04041	36.6
89.02457	1.2
97.02940	1.2
98.03290	0.8
98.06118	3.2
101.02435	1.6
108.02198	0.9
114.05613	1.2
115.03998	1.4
116.07175	1.5
118.05104	3.5
125.02395	0.9
130.05092	13.6
131.05388	0.9
142.05066	4.1
158.04512	1.0
159.02951	3.2
160.03340	2.8
160.06146	100.0
161.04535	2.2
161.06476	2.3
169.86526	1.1
175.08731	0.9
201.04019	1.9
250.21585	1.0
341.10858	1.0
503.16037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.1
59.01379	19.6
61.98831	4.4
63.53384	0.6
69.03459	1.1
71.01377	2.9
73.02949	1.4
81.03467	2.9
83.01384	5.5
85.02957	1.1
89.02438	2.2
93.03457	3.4
95.05002	3.3
97.02944	6.9
99.00890	2.6
101.02419	0.9
108.02147	1.9
109.02954	22.8
113.02470	1.1
118.89261	0.8
121.02950	5.1
122.03747	1.1
123.04538	14.9
125.02449	17.0
126.02798	0.9
135.04514	2.5
137.02448	15.5
138.03250	1.2
139.04028	4.4
139.32922	0.7
145.02953	1.3
146.03740	2.0
149.02493	6.7
149.04532	0.9
150.03152	1.4
151.04018	10.7
159.04539	3.8
160.05185	1.9
161.02460	3.2
161.04723	1.2
161.06094	7.6
162.03261	3.4
163.03996	2.1
164.01178	3.2
165.01941	5.7
165.12784	1.1
167.03456	2.2
173.06079	0.8
173.49773	0.6
175.04013	3.0
175.07629	2.6
177.05585	1.3
179.03519	6.6
185.06058	1.4
187.03998	7.0
188.04784	4.4
199.07625	0.9
202.06367	2.2
203.03404	1.0
203.07152	17.4
204.07445	0.8
205.05055	13.6
205.06839	1.1
207.10242	2.8
213.05574	0.9
221.08188	3.0
227.07104	2.5
230.05887	0.9
231.03023	2.2
241.05057	0.7
245.08180	21.4
246.08504	1.3
247.06119	3.1
255.16016	1.5
263.16476	1.0
271.05984	1.1
289.07184	100.0
290.07495	7.4
305.13974	1.3
309.56689	0.7
349.16492	3.8
351.18353	0.7
395.18729	1.0
457.18512	9.7
458.19162	1.2
483.20245	2.5
501.21298	58.8
502.21783	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	501.2131
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
52.01175	0.7
57.03421	3.0
59.01375	6.7
61.98837	3.4
65.56277	0.6
69.03430	1.3
70.16384	2.6
71.01362	1.5
71.44052	0.7
81.03442	3.2
83.01378	5.3
83.05019	0.8
89.02432	1.1
93.03418	1.8
95.01376	1.3
95.05029	3.7
97.02953	8.2
107.04939	1.1
108.02151	1.8
109.02246	1.5
109.02951	21.1
110.72495	0.7
111.00900	3.1
119.05032	0.7
121.02960	4.3
121.68470	0.7
122.03726	1.4
123.04522	18.0
125.02452	19.1
133.53084	0.7
135.04491	3.0
137.02438	16.4
138.03214	1.1
139.03995	5.1
141.09192	0.8
145.02922	1.0
146.03719	2.0
149.02429	6.3
150.03207	0.8
151.03992	9.9
155.32095	0.7
159.04532	3.9
160.05276	1.8
161.02443	3.8
161.04791	0.9
161.06076	7.7
162.03189	2.9
163.03978	1.2
164.01120	3.0
165.01913	5.4
166.02332	0.7
167.03462	2.5
173.06052	1.5
174.03122	1.0
175.03992	3.4
175.07582	2.7
177.05492	1.4
179.03485	8.2
185.06035	1.7
187.04004	6.8
187.43767	0.6
188.04762	5.5
201.05547	1.2
202.06332	2.1
203.03407	1.0
203.05203	1.0
203.07121	18.7
204.07521	1.1
205.05049	14.0
207.08087	2.5
212.04819	1.2
215.11789	0.9
217.08711	0.9
221.08160	2.8
227.07080	3.7
230.05792	1.3
231.02910	1.9
245.08157	23.0
246.08508	0.9
247.06059	2.5
251.07094	1.8
251.12914	0.7
271.06140	1.1
279.06781	1.4
283.10843	1.7
289.07181	100.0
290.07504	5.8
305.14001	1.4
339.08762	1.1
340.30392	0.7
349.16489	3.2
371.08807	0.7
395.18884	1.5
413.19708	1.0
457.18427	10.3
483.20303	2.7
501.21326	53.0
502.21634	7.9
513.87860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
59.65271	0.3
61.98830	100.0
71.01396	0.3
96.96024	0.3
98.20719	0.4
109.02950	0.3
116.92870	0.3
125.02541	0.4
137.02469	0.4
145.39622	0.3
148.03951	0.2
169.43764	0.2
273.57361	0.2
306.07751	0.3
328.05627	0.3
445.78387	0.3
503.24496	0.3
508.70596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03882	1.2
57.03442	2.2
58.00556	1.3
59.01381	100.0
60.01707	1.2
61.98828	10.1
68.99571	5.4
69.36261	10.4
71.01378	23.0
72.99302	1.3
73.02939	10.1
73.55499	1.2
74.02448	1.3
75.21181	1.2
78.95911	1.3
83.01381	2.2
85.02963	6.3
89.02449	43.0
92.26220	1.4
93.03503	1.4
95.01367	2.4
96.96014	5.1
96.96951	1.4
99.00880	37.1
101.02435	9.0
112.98553	4.3
113.02452	21.3
114.51499	1.2
119.03558	1.4
119.05030	23.4
125.02422	3.0
128.03545	3.7
131.03487	11.9
133.02884	1.7
134.03760	2.0
137.02469	4.3
143.03542	2.0
143.04634	5.0
149.02451	3.7
149.04553	67.5
150.04890	2.4
158.03673	2.1
160.01669	4.1
161.02425	5.4
161.04539	10.9
163.04016	9.1
164.03511	1.7
164.07249	1.5
165.01949	1.3
168.00682	2.0
175.03999	5.4
177.05522	2.5
189.87335	1.5
191.03983	2.0
191.05620	19.3
193.05048	1.4
198.16975	1.4
233.06656	21.0
237.05229	1.6
272.08832	3.7
293.08862	12.9
299.08038	2.2
306.07672	10.8
311.09903	2.4
323.07648	4.9
337.09225	4.0
441.11636	1.5
501.13876	4.3
501.20605	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	501.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94371	0.3
57.03429	0.4
58.00583	0.4
59.01381	13.6
60.01702	0.3
61.98830	1.6
70.18440	0.3
70.96033	0.4
71.01382	2.6
71.51205	0.4
72.99303	0.9
75.00849	0.5
83.73940	0.3
84.00084	0.3
85.02943	0.6
87.00880	0.4
89.02430	1.9
96.96007	2.3
100.69257	0.4
101.02468	1.7
102.19720	0.3
108.02208	0.4
113.02446	0.5
116.92818	0.4
125.02416	0.8
134.03778	0.4
137.02446	0.4
142.74292	0.3
149.07196	0.6
151.03957	0.4
161.07208	0.5
163.08722	0.6
176.05899	7.7
177.06682	14.3
177.75923	0.3
178.06979	0.6
178.64182	0.3
188.05832	0.4
191.08258	24.7
192.08592	1.0
193.05046	0.7
203.08223	2.4
205.06171	37.1
206.06532	1.4
219.07738	43.1
220.08051	2.0
231.07771	0.4
245.09264	1.4
256.92285	0.3
272.22446	0.4
311.12430	1.1
321.10889	3.0
339.11942	100.0
340.12268	6.0
483.16534	0.4
501.10257	0.7
501.17230	11.2
502.17648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26163	1.1
57.03430	1.5
58.02946	1.2
59.01372	4.9
61.98836	1.3
69.24247	2.6
69.24655	8.3
70.02968	1.8
71.01379	5.0
73.02934	1.2
73.55777	1.1
83.01391	4.6
84.75105	1.3
85.02934	1.7
88.04033	13.2
89.02450	3.3
93.03445	1.3
95.01394	1.4
95.02492	1.6
97.02966	5.5
99.00867	2.8
109.02951	14.8
113.03574	4.5
114.01943	6.4
115.00365	4.2
119.08595	1.2
121.02943	3.4
122.03725	1.4
123.04507	13.8
125.02433	4.4
129.05646	1.1
131.04597	11.3
132.03023	47.4
133.02940	1.9
135.04495	2.6
137.02417	3.2
139.04010	1.9
145.02968	1.7
146.03709	2.2
149.02419	6.9
151.03990	6.0
159.04456	2.1
161.02420	3.6
161.04793	1.2
161.06049	5.8
161.09735	2.9
162.03143	3.4
163.04016	1.9
165.01852	1.9
175.03990	1.4
177.05490	1.5
187.04022	3.3
188.04814	2.2
189.05550	2.1
189.09248	1.9
202.06186	1.6
203.07202	5.7
205.05072	10.9
205.08582	5.8
207.10213	4.5
215.06647	1.2
217.08708	10.8
219.10318	2.1
245.08125	3.5
247.06053	4.9
247.09622	1.3
283.13281	1.6
289.07150	4.2
301.14398	1.7
325.14511	6.3
326.15085	1.2
369.13400	100.0
370.13693	9.2
502.18341	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	501.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40672	0.4
57.03446	0.7
59.01377	5.7
61.98830	5.4
63.92406	0.4
67.01879	0.4
69.03439	0.7
71.01376	5.4
71.52016	0.7
72.99293	1.3
73.02946	0.9
74.02446	0.5
77.49438	0.4
79.01888	0.8
81.03470	0.5
83.01393	1.3
85.02948	2.1
87.00851	0.8
88.98786	0.5
89.02441	2.5
95.01367	2.3
96.96016	2.9
96.96992	0.5
97.02946	0.9
101.02459	2.9
107.01388	4.6
108.02181	0.7
109.02901	1.1
110.00115	0.4
111.00878	2.4
113.02430	2.6
119.03501	0.9
123.00882	14.8
123.04523	0.9
124.01669	1.9
125.02446	20.8
126.02820	0.8
127.00337	1.2
136.98788	1.2
137.02435	1.3
139.00378	5.6
140.01100	2.4
141.01923	1.7
149.02437	1.1
149.99541	0.4
151.00356	11.0
151.03984	0.9
152.01097	1.4
153.01881	1.2
153.06439	0.4
161.02367	0.7
163.04028	0.7
163.86345	0.5
165.01956	0.7
165.05573	0.6
168.00627	4.6
169.01416	29.0
170.01804	0.8
171.98074	0.7
177.01816	0.8
179.03383	1.0
191.03519	1.3
193.01428	0.5
198.88257	0.5
200.98949	0.4
211.02461	4.0
253.03606	0.8
269.39154	0.5
271.04611	4.6
306.07657	0.7
313.05786	2.1
339.08420	0.4
403.19675	0.5
441.11993	1.0
501.19821	100.0
502.20172	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	500.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01393	1.9
61.52929	0.5
61.98831	100.0
62.67524	0.6
65.56055	0.5
67.28366	0.5
69.33469	4.8
71.95219	0.5
74.50853	0.6
80.30710	0.5
83.01376	0.7
98.19878	1.0
101.02440	0.6
109.02977	0.6
112.44948	0.5
119.25571	0.6
125.02475	1.4
129.23759	0.6
137.02467	1.8
155.97847	0.5
165.01962	1.8
283.11063	0.6
287.05856	0.5
288.06183	0.7
289.07178	2.7
308.09604	0.5
500.20657	0.9
500.28592	0.9
501.21219	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	501.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	9.4
59.01375	89.7
61.98831	100.0
66.99689	6.6
71.01378	59.3
71.52048	12.0
73.02957	34.6
78.31921	6.5
81.03456	7.6
83.01389	16.4
85.02953	22.9
89.02448	40.7
95.01406	9.8
96.08215	7.2
96.96009	39.9
97.02959	7.2
98.02563	6.6
98.61505	6.6
99.00887	86.2
101.02432	26.1
103.07138	6.9
108.02161	27.0
109.02929	19.5
111.00941	7.2
113.02468	33.5
114.01978	7.2
115.64591	6.6
123.04534	20.6
125.02428	31.8
131.03532	13.8
131.04532	7.8
132.03021	15.8
135.04565	11.3
135.44273	7.7
137.02461	12.2
149.02397	7.9
149.04562	42.4
151.03993	9.9
152.01141	22.8
153.01880	9.0
155.03488	8.8
156.20798	6.8
159.53709	6.8
161.04549	14.5
173.22292	6.7
177.01895	21.9
191.05571	34.9
203.05518	10.2
209.11781	18.8
265.07129	7.0
343.24600	7.6
369.13486	29.8
457.17105	18.3
465.23132	20.8
501.19937	61.9
501.26245	12.4
502.20450	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	500.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45290	0.4
57.03462	0.4
59.01382	2.1
61.98830	100.0
68.83025	0.4
68.99571	1.8
69.48267	0.4
70.94284	0.4
71.01396	0.9
71.52898	0.6
73.02946	0.5
73.39372	0.4
74.64648	0.5
83.01420	0.8
85.02979	1.6
100.11987	0.5
101.02426	0.5
111.00964	0.5
112.98585	1.4
121.02988	1.6
123.00790	0.5
123.04465	0.5
125.02470	1.4
129.01903	0.4
129.14697	0.4
137.02460	0.8
137.97333	0.7
138.70288	0.5
168.00615	0.5
204.40961	0.5
248.80342	0.5
251.92715	0.5
295.09937	1.8
307.44110	0.5
330.97812	0.5
339.12482	1.9
500.20758	1.6
500.29251	0.9
501.23865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01379	1.0
66.03506	0.8
69.28096	4.5
69.28530	2.6
71.01385	1.1
72.00874	1.0
84.04553	3.9
86.06108	6.1
96.04537	0.9
97.02948	1.6
111.05656	2.2
112.04043	10.4
113.07231	3.6
114.05614	14.6
114.07503	0.9
126.01962	1.0
128.03569	5.3
140.03561	2.6
141.01915	0.7
144.06656	2.8
151.76279	0.7
157.03670	0.7
157.06180	13.5
158.04590	100.0
158.06454	6.4
159.02969	3.1
159.04961	2.1
165.43010	0.8
198.75388	0.8
209.72795	0.8
341.10989	1.2
407.34045	0.9
466.53036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20020	0.4
53.30968	0.4
53.63308	0.4
57.03441	0.6
59.01373	2.9
61.98829	100.0
63.32096	0.5
69.52930	0.9
69.53330	2.1
71.01383	1.5
80.27551	0.4
83.01376	0.5
84.97915	0.4
85.02964	0.6
89.02460	0.7
98.20686	0.9
118.44486	0.4
121.02959	0.6
125.02462	2.5
126.02750	0.6
137.02480	0.9
165.01955	0.4
174.37724	0.4
177.65259	0.4
193.06616	1.5
345.39966	0.5
392.77802	0.4
482.19144	1.0
500.20517	0.8
500.28793	1.1
501.23267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3276
Annotation	Discarine E
Peak:m/z	Relative Intensity
59.01369	3.0
61.98825	1.4
63.33553	0.8
69.45557	5.7
76.12277	0.8
83.05044	1.0
93.06091	0.9
125.02488	1.3
134.35657	0.9
137.02460	2.2
165.04926	0.7
167.14488	0.9
177.12816	1.4
183.13902	14.2
193.12373	1.5
195.13898	39.9
196.14243	3.4
196.92911	0.8
197.31497	0.8
211.13376	50.0
212.13707	3.4
213.14954	16.1
223.13376	0.9
307.19156	0.9
309.20865	0.9
315.26874	5.4
327.27008	0.9
359.25879	4.8
371.25842	1.0
377.26886	7.7
389.26822	1.6
395.27930	2.0
407.28055	14.2
425.23212	1.8
425.29074	50.1
426.29535	5.2
499.32788	100.0
500.33017	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	499.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	15.4
59.01350	4.2
61.59872	1.3
69.03452	2.6
69.70715	1.2
70.05006	2.3
70.05421	4.9
72.56011	1.3
77.97513	1.3
81.03456	3.9
82.34525	1.6
83.01375	13.1
90.92717	1.3
93.03465	3.1
95.05014	4.8
97.02934	6.2
98.19846	1.8
109.02952	23.6
111.00874	3.5
117.03424	1.9
117.92609	1.5
121.02938	5.8
122.03764	1.8
123.04517	12.3
125.02442	95.2
126.02774	2.5
133.02896	2.1
135.04514	3.5
137.02440	100.0
138.02791	2.2
139.04033	2.7
145.02960	21.3
145.43704	1.4
146.03688	4.5
146.81523	1.4
147.04497	1.6
148.26367	1.3
149.02385	11.3
150.03229	9.2
151.04008	12.0
159.04475	14.5
160.05261	1.9
161.02408	5.9
161.04880	2.0
161.06047	11.7
164.01114	4.3
165.01907	17.1
165.12862	12.6
167.03540	3.3
173.06023	2.8
175.04025	3.4
175.07608	2.9
177.02010	1.4
177.05505	1.9
179.03497	6.3
181.06534	2.1
183.04462	3.1
183.13898	42.3
185.06029	9.1
187.03976	9.3
188.04726	4.7
194.15363	1.4
201.05547	9.1
202.06387	3.1
203.07109	18.6
205.05011	7.2
209.06004	2.4
211.03934	2.0
219.17479	3.3
221.08139	2.2
225.05469	1.9
227.07111	6.5
227.12868	50.8
228.13158	4.0
229.05031	5.3
230.02115	1.9
230.05649	1.8
243.06598	3.2
245.08130	19.9
253.05087	10.7
256.03757	1.7
271.06097	40.1
272.06497	3.6
287.05679	6.6
288.06235	4.4
289.07153	81.5
290.07370	7.0
331.15350	1.7
346.20728	1.7
349.16483	12.9
353.83197	1.6
361.16687	7.7
369.20499	10.3
386.81140	1.4
395.18506	2.8
411.21808	14.4
437.19937	10.0
449.29709	1.4
455.20703	24.3
456.21057	2.8
481.18442	1.7
499.19656	29.0
500.19962	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	498.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90590	0.8
55.01863	1.6
57.03448	3.8
57.19521	0.7
59.01109	1.2
59.01377	16.8
61.98830	8.3
68.99553	1.2
69.03462	1.4
71.01382	27.5
71.50978	0.9
72.99313	4.1
73.02937	2.5
73.30733	0.6
74.30930	0.8
75.00871	25.6
75.38623	0.8
78.95912	1.2
83.01378	2.9
83.05058	0.8
85.02459	1.7
85.02953	28.9
87.00875	6.6
89.02448	8.7
95.01371	2.2
96.96004	2.2
96.96972	0.8
97.02924	2.2
99.00886	8.1
100.49481	0.8
101.02428	8.0
103.00407	1.2
109.02975	0.9
110.98488	0.8
111.00871	3.0
112.98558	2.0
113.02447	27.9
115.00356	3.0
117.01927	1.7
119.03512	1.9
125.02428	3.4
129.01932	4.5
131.03517	3.6
135.04497	1.0
137.02519	1.0
139.04012	1.3
148.03947	0.7
152.01151	0.8
157.01399	1.2
160.07661	3.1
164.01160	0.8
165.01958	0.8
168.02994	1.3
173.04532	5.2
175.02444	3.5
179.05661	0.9
191.05591	1.6
195.37978	0.7
200.22757	0.7
205.03496	2.5
209.03000	0.9
215.05658	0.9
218.68053	0.8
223.04614	3.7
275.09021	0.8
322.13022	3.5
455.18344	0.9
480.15344	1.1
498.16177	100.0
499.16376	11.4
506.89771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58834	0.7
57.03471	0.7
57.28355	0.7
57.74439	0.8
59.01372	3.0
59.19062	0.7
71.01379	1.2
71.49189	1.0
72.00896	1.8
84.04559	2.5
86.06121	5.2
89.02448	2.8
94.02969	1.0
96.04554	4.6
97.00449	1.6
111.05653	7.2
112.04053	4.1
113.02424	1.1
113.07208	28.8
114.03082	1.3
114.05598	5.8
114.07613	0.7
118.93637	0.7
137.03552	2.5
139.05135	4.8
140.03542	2.7
157.03622	3.5
157.06183	100.0
158.04587	30.8
158.06578	2.1
179.05551	0.9
189.46696	0.7
191.70476	0.8
197.78076	0.8
209.39659	0.8
341.10941	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	498.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40523	2.3
57.03442	2.9
59.01379	2.9
60.23325	1.8
61.98831	100.0
65.00311	10.8
70.26139	6.6
83.01382	6.1
85.02969	5.2
107.01405	19.1
109.02856	1.7
109.17038	1.9
111.00897	1.8
116.84637	1.5
123.04529	5.5
124.01638	3.1
125.02459	15.2
125.87173	1.7
133.02922	2.3
135.04544	2.1
135.22725	1.8
137.02422	2.6
150.03217	11.6
151.00377	88.4
151.04007	12.4
152.01091	7.7
169.01445	1.9
171.04993	1.7
175.03983	2.1
176.01141	2.6
177.01949	2.4
178.99907	10.7
199.04022	3.2
211.31288	2.1
241.05122	2.9
283.08112	2.6
285.04059	50.0
286.04437	4.3
303.05038	17.6
309.06134	4.3
379.19934	2.0
435.09268	59.0
436.09518	5.1
499.18103	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	498.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.50478	0.3
85.02982	1.0
90.57082	0.3
105.30585	0.3
109.02946	0.4
111.00817	0.4
125.02460	1.1
129.01976	0.7
137.02437	2.9
223.04684	0.6
265.87390	0.3
271.06091	0.4
283.22922	0.3
289.07297	0.3
416.17679	0.4
435.13098	0.9
435.47406	0.3
441.40353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01371	0.3
61.98829	100.0
62.98541	0.3
69.21418	0.4
69.21815	1.7
71.01402	0.3
73.02850	0.2
81.03449	0.5
83.01406	0.5
85.02959	1.7
89.40533	0.2
93.03480	0.4
98.20702	0.4
107.01414	0.2
111.00935	0.4
119.05062	0.6
122.31333	0.2
123.04537	2.1
124.36810	0.2
125.02431	1.9
125.79443	0.2
129.01970	0.8
134.02631	0.2
136.56961	0.2
137.02428	0.3
149.02390	0.3
167.03485	6.3
168.03925	0.2
169.01393	0.2
179.03510	0.9
205.03510	0.5
238.67520	0.2
256.88428	0.2
273.07678	9.2
274.08063	0.6
409.09015	0.2
435.13181	1.4
435.18430	0.3
494.77023	0.2
498.17020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73423	1.5
54.76621	1.4
54.91372	1.3
55.01881	1.9
56.18096	1.4
57.03445	3.6
59.01380	50.3
61.98830	28.8
65.83271	1.5
69.33435	11.6
71.01381	40.4
73.02945	18.4
83.01387	17.6
85.02956	21.3
87.00839	1.7
89.02456	4.7
95.01386	2.6
97.02930	2.5
99.00890	6.6
101.02439	44.2
108.02171	4.9
109.02912	7.3
111.00926	2.4
113.02457	19.1
121.02937	1.9
123.00925	1.8
123.04505	2.2
124.01629	1.5
125.02466	12.6
137.02444	10.3
141.60291	1.6
151.03983	2.9
152.01164	4.8
153.01947	2.2
159.03009	2.9
161.04555	14.7
163.06187	1.7
164.01147	2.6
165.01920	8.9
167.03499	1.9
175.04025	2.5
175.07619	3.9
176.01070	1.8
177.01886	3.3
179.03528	3.0
183.97231	1.6
203.07150	3.1
217.08704	1.6
229.08690	3.1
243.17526	1.7
247.06081	2.6
280.09653	1.8
291.18124	78.2
292.18552	5.0
317.17358	3.6
367.11728	9.7
385.12985	3.6
437.23895	100.0
438.24121	7.6
453.15723	2.1
479.17044	5.1
497.20404	11.8
498.20557	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	497.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03451	0.7
59.01381	100.0
60.01713	0.7
61.98833	3.9
71.01389	7.4
71.52052	0.7
72.99338	0.7
73.02962	0.7
78.95892	0.7
83.01405	0.7
85.02953	1.6
89.02446	11.2
101.02448	6.7
113.02448	4.8
117.89171	0.5
119.03519	5.5
125.02493	1.1
131.03569	0.9
137.02428	2.3
143.03519	1.7
149.02472	0.9
149.04530	0.9
150.03264	1.0
161.02443	0.5
161.04605	1.9
165.01955	1.9
175.04034	0.7
176.01161	1.1
177.01968	0.5
179.05612	2.3
201.01704	0.5
238.99089	0.5
277.07193	0.7
329.23444	0.7
385.13107	1.0
437.25415	3.8
497.18600	1.9
497.27133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.166
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
57.03413	0.8
59.01367	3.4
61.98828	15.9
68.99786	0.6
69.03448	3.1
71.01363	2.7
71.52386	1.1
75.00866	1.2
76.37759	0.6
76.58833	0.7
78.95906	1.0
80.97592	0.6
81.03436	1.9
83.01380	1.5
85.02948	3.9
89.02431	0.8
95.01368	2.1
97.02929	2.2
99.00860	0.9
101.02419	2.3
101.86534	0.7
102.05615	4.3
107.01368	1.5
108.01472	1.0
108.02175	18.5
109.02248	0.7
109.02955	12.2
113.02424	0.9
121.02934	1.1
123.00892	7.6
123.04502	1.9
124.00748	0.8
124.01661	18.0
125.02449	40.8
126.02831	1.5
128.03534	4.5
129.01871	1.1
135.02905	0.7
135.04501	1.6
135.08263	0.8
136.05231	0.7
137.02455	5.1
137.09691	1.4
141.01799	0.7
143.10759	1.3
146.04631	0.8
149.02454	0.6
149.04532	1.0
149.99582	21.9
150.02992	0.7
151.00407	4.6
151.03947	0.9
152.00003	1.1
152.01155	17.6
153.01958	6.4
155.10757	2.0
160.03955	0.8
161.04514	0.8
163.03979	0.9
163.30429	0.7
165.01959	3.1
167.03467	3.5
167.10741	1.6
168.00638	43.7
169.01393	3.5
175.03775	0.8
175.07527	0.8
179.03445	1.3
179.14386	1.3
203.07185	0.9
207.13809	1.1
313.05548	2.2
315.07159	1.0
318.17023	1.1
323.12921	0.9
331.06674	1.9
352.92978	0.7
367.11707	1.4
376.13760	0.7
380.17117	3.5
453.17508	1.5
479.15723	3.5
497.16544	100.0
498.16922	12.5
510.65744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.166
Annotation	Globulusin B
Peak:m/z	Relative Intensity
53.88791	0.5
57.03423	0.6
59.01366	1.5
61.98828	15.8
65.00327	0.7
68.79906	0.6
69.03451	2.6
71.01369	1.8
71.04984	0.5
71.90001	0.5
78.95895	0.8
79.01885	1.3
81.03440	1.2
83.01386	1.7
85.02942	1.0
93.03465	0.6
95.01376	1.8
97.02927	3.1
102.05624	0.8
107.01379	2.7
108.02155	1.5
109.02921	1.7
121.02884	0.6
123.00890	6.5
123.04490	2.3
124.00757	0.7
124.01665	23.3
125.02446	48.9
126.02757	1.1
128.03557	0.6
134.71210	0.5
135.04532	0.8
136.01595	0.5
137.02452	4.9
141.84413	0.7
143.04646	0.6
149.02431	0.6
149.99583	28.3
150.03227	0.7
151.00385	5.1
151.03954	1.8
152.01134	1.0
153.01965	0.7
163.03993	0.8
165.01930	1.7
167.03436	1.7
168.00635	53.2
169.01402	5.5
177.43147	0.6
179.03464	1.1
183.02934	0.7
183.10240	0.6
190.02698	0.5
203.07140	1.3
217.05351	0.6
223.85347	0.6
244.76215	0.5
245.08344	0.9
247.06163	0.6
261.07605	2.5
289.07208	3.8
313.05600	1.7
324.70184	0.6
385.12933	0.7
479.15582	0.7
497.16589	100.0
498.16907	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	496.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31634	0.6
53.24993	0.6
57.85005	0.6
59.01379	2.0
61.98829	100.0
65.00339	1.1
66.04882	0.8
67.29707	0.7
69.02721	0.6
69.28909	2.0
69.29311	4.0
81.44018	0.6
83.01365	1.3
107.01429	2.0
108.02163	1.5
109.02991	1.4
111.00896	0.8
116.88797	0.8
124.01701	1.9
125.02491	3.4
135.04509	1.0
139.93529	0.7
140.75957	0.7
142.65015	0.7
147.65718	0.6
150.12271	0.7
151.00349	7.3
151.46425	0.6
152.01147	20.8
153.01627	1.6
174.64690	0.8
176.76108	0.7
178.99843	21.0
179.01318	1.4
180.00566	1.8
230.41924	0.7
239.82027	0.7
243.06580	0.8
259.06046	6.0
260.06461	0.8
269.04587	14.2
269.07278	1.3
270.04724	1.1
286.04675	1.2
287.05606	4.3
433.11368	36.2
434.11783	3.0
452.16635	0.8
496.15399	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	496.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35828	0.3
61.02201	0.3
61.24367	0.3
61.98829	100.0
67.26241	0.3
69.88694	1.8
70.62241	0.3
95.05197	0.3
96.96030	0.6
101.28303	0.3
127.03963	0.4
462.84741	0.4
497.09598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35710	0.3
58.09929	0.3
59.48313	0.3
61.98830	100.0
69.20216	2.3
96.96042	0.4
101.27499	0.3
111.87521	0.3
140.49547	0.3
167.84674	0.3
262.55923	0.3
416.41376	0.3
464.32141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37543	0.4
59.01367	1.9
61.98829	100.0
71.01382	0.8
71.52270	0.8
78.91875	0.5
78.95925	0.4
85.02952	0.5
89.02478	0.7
90.57251	0.3
93.43643	0.4
99.00876	0.4
99.38495	0.3
101.02441	0.6
108.02174	1.2
109.02954	1.2
110.98496	0.4
113.02480	0.5
121.02911	0.4
123.04579	1.1
124.01801	0.4
124.18359	0.4
125.02430	1.0
127.72008	0.4
136.01704	0.7
137.02455	1.5
145.03040	0.4
149.02480	0.6
151.04062	0.4
152.01111	0.7
165.01985	0.7
171.10301	0.8
172.10678	0.5
177.02014	0.4
179.03600	0.5
179.07065	0.4
204.64302	0.4
211.13423	0.4
213.39984	0.4
229.08826	0.5
229.14520	0.4
258.05197	0.4
271.09741	6.7
289.07242	0.7
318.82877	0.4
327.21848	1.4
328.22156	1.6
433.15045	1.1
437.23813	0.5
466.51102	0.4
495.23712	1.2
496.23795	1.5
497.20886	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	496.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93276	0.4
59.01379	0.9
61.04517	0.4
61.98829	100.0
63.02386	0.7
65.00331	0.5
69.17200	3.0
69.17599	1.0
83.01421	0.6
84.23664	0.3
107.01441	1.2
112.76534	0.4
118.23218	0.4
118.96986	0.4
123.00912	0.7
124.01664	1.0
125.02429	2.1
135.04515	0.6
139.00397	0.4
151.00371	4.5
152.01152	10.9
166.05070	7.8
167.05428	0.5
169.01494	0.5
178.99846	14.1
180.00626	1.1
221.19707	0.4
234.14322	0.4
259.06049	3.8
269.04565	8.7
283.43118	0.4
286.04913	1.2
287.05609	2.1
383.54776	0.4
433.11380	21.2
434.11658	2.4
450.92120	0.4
460.14365	2.1
460.48804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64888	1.0
56.54892	0.9
61.98829	100.0
65.00324	1.4
74.46583	1.0
74.70794	0.8
98.19907	3.1
107.01410	1.8
108.02142	1.6
109.03042	1.0
119.01529	0.9
124.01658	2.0
125.02448	3.0
151.00363	6.8
152.01144	18.0
153.01695	1.3
178.99852	22.5
180.00488	1.5
197.85414	0.8
201.05792	1.1
259.06061	6.2
269.04547	13.6
270.04855	1.3
286.04800	2.0
287.05682	4.0
433.11392	38.1
434.11606	2.9
496.15240	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	495.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.01388	3.9
61.98829	9.0
63.12103	0.5
64.83680	0.5
71.01382	6.4
71.51648	0.4
71.52061	0.8
72.99304	0.9
73.02947	1.0
75.00854	0.6
76.51541	0.5
76.71622	0.4
81.03439	0.7
83.01394	1.4
83.05038	0.8
85.02948	2.5
87.00855	0.8
89.02452	1.3
93.03446	1.1
95.01393	1.5
95.05021	1.0
97.02945	0.8
99.00906	0.9
101.02425	2.8
108.02152	0.9
109.02965	1.5
111.00894	1.2
113.02447	2.6
121.02951	7.2
122.03729	1.7
123.00906	3.3
123.04525	100.0
124.04822	2.3
125.02441	3.4
127.04036	0.6
135.04517	0.6
136.98820	0.7
137.02449	4.2
137.06100	0.7
138.03230	1.6
139.00363	1.7
151.04048	0.6
152.01135	1.1
152.04784	0.6
153.05574	86.2
154.05986	3.0
155.03487	1.5
163.03949	0.7
166.99840	2.3
167.03525	1.0
168.00610	0.9
169.01480	2.3
177.01906	0.9
181.01433	4.3
181.05083	0.5
182.02223	5.5
183.02910	3.6
183.06477	0.8
196.03709	0.6
197.04535	18.9
198.04904	1.1
199.02533	0.6
211.56078	0.6
212.01831	0.5
225.04070	1.2
248.02028	0.5
311.04132	0.5
311.07675	0.6
326.06430	5.4
327.07013	0.8
341.08749	76.3
342.09116	4.9
370.62335	0.7
495.15045	6.9
495.20825	0.8
495.31699	1.3
496.15698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72419	0.8
54.09989	1.0
58.93105	0.8
59.01073	1.4
59.01379	37.4
61.98832	100.0
69.29028	1.9
69.29433	7.1
71.01386	7.9
71.44077	1.0
73.02934	4.4
75.00891	1.1
78.95856	0.9
83.01383	2.5
85.02940	3.7
87.00862	1.3
89.02431	4.9
99.00871	1.3
101.02456	9.2
109.02913	1.6
113.02457	3.1
119.03481	2.5
123.04486	1.0
125.02431	2.5
127.04017	1.5
135.49390	0.8
137.02496	1.0
143.03491	1.5
149.04578	1.3
151.03987	1.3
155.03442	1.2
161.04582	4.8
167.03485	1.6
179.05545	2.1
199.02443	1.1
202.33902	1.0
215.26143	0.9
232.80658	1.3
327.18207	2.3
327.21796	1.8
345.19183	6.8
363.23859	1.2
387.20242	3.6
459.22412	1.7
494.30225	1.9
495.21243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98830	100.0
69.41010	0.4
69.48842	3.0
71.01387	0.5
72.99323	0.5
73.02943	0.5
80.85230	0.4
81.03470	0.6
83.05044	1.4
98.20675	0.4
108.02159	0.5
109.02949	0.9
111.04534	2.2
111.46198	0.4
112.04847	0.7
112.65318	0.4
123.04498	0.4
127.04035	3.8
128.04387	1.1
128.46904	0.4
148.17493	0.5
153.01974	0.4
153.05577	0.4
155.03500	3.3
156.03909	1.4
178.02348	0.4
198.10794	0.4
199.02423	2.4
200.02818	1.2
201.51274	0.4
217.03569	0.9
218.03868	0.6
226.45306	0.4
243.31308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32803	0.3
59.01372	0.4
61.98829	100.0
70.99345	0.4
71.01352	0.6
74.33453	0.3
75.00869	0.7
85.02964	0.6
113.02440	0.7
119.05022	0.4
125.02466	0.8
132.66577	0.3
137.02480	0.3
138.01971	1.9
151.31931	0.2
165.05586	0.3
167.03568	0.4
181.05055	0.3
184.46606	0.3
432.11533	0.7
437.14752	0.6
495.20959	1.2
495.32056	1.9
496.30548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1143
Annotation	tarocin A1
Peak:m/z	Relative Intensity
57.03448	0.8
59.01378	6.7
61.98833	7.9
67.01873	1.2
68.99812	0.8
69.03444	0.9
69.31779	5.0
71.01385	7.1
72.99296	0.9
73.02940	1.5
75.00872	9.1
79.01901	0.7
81.03455	2.4
81.21696	0.6
83.01389	2.7
85.02946	2.8
87.00887	3.7
88.98813	0.7
89.02427	3.4
93.03424	1.0
95.01382	2.6
97.02956	1.0
99.00868	0.9
101.02457	4.1
101.52037	0.6
107.01396	3.8
108.02178	71.5
109.02975	28.7
110.03281	1.1
111.00855	1.9
113.02448	2.5
119.03484	1.2
119.30891	0.6
121.02950	4.8
123.00897	6.6
123.04549	0.6
124.01640	2.4
125.02449	2.2
127.00357	2.4
134.03732	0.8
135.00887	1.5
135.04556	1.0
136.98801	1.8
137.02446	5.0
138.03232	1.5
139.00374	2.3
139.04004	4.8
141.01981	0.8
149.02434	0.8
150.03229	0.7
151.00363	1.3
151.03928	1.5
152.01158	65.4
153.01958	24.4
153.05540	3.3
154.02620	0.7
155.03499	0.7
163.03998	1.7
164.24165	0.6
165.01944	3.7
166.02762	0.8
166.99817	3.0
167.03404	1.5
168.00627	3.2
169.01381	1.3
179.03400	1.3
180.04311	2.0
181.01457	2.7
182.02240	4.7
183.02991	16.7
184.03317	1.0
195.03040	1.0
195.06628	5.2
197.04590	8.7
201.20868	0.6
225.04033	1.9
225.07674	4.3
248.52547	0.7
296.05411	0.6
297.06183	1.6
311.07666	0.8
312.04843	1.1
315.07208	4.6
315.12430	1.6
326.06561	1.3
327.07239	12.5
328.07404	0.8
329.10242	0.6
333.13385	0.8
341.08691	3.4
359.14978	1.3
407.16696	0.8
436.10144	1.4
451.12552	5.9
463.08875	5.2
478.57477	0.8
495.11450	100.0
495.31302	10.8
496.11823	11.0
496.32092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67419	11.2
59.01373	21.3
61.98828	78.6
69.37698	100.0
95.23478	14.5
98.19916	28.0
148.47571	14.1
194.48524	12.0
201.56644	12.3
213.57083	12.4
254.92458	13.9
307.63943	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	492.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	41.2
61.98823	100.0
73.79543	11.6
98.19907	41.9
111.82689	12.4
113.85345	12.7
162.79854	13.8
187.79395	12.3
201.21567	14.5
246.39662	12.5
334.28842	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06924	0.7
59.01378	100.0
60.01712	1.2
61.98827	12.9
69.41627	1.7
69.42043	3.7
70.04763	0.9
71.01382	6.4
72.99310	3.6
73.02941	1.4
74.07648	0.7
76.61242	0.6
81.03462	3.0
83.01391	1.5
83.05024	6.3
85.02953	2.5
86.83926	0.8
87.00914	0.8
88.98779	3.5
89.02436	5.6
93.03478	1.3
95.01366	1.0
96.96005	0.7
97.10847	0.7
99.00886	0.9
101.02441	4.6
107.01411	1.2
109.02955	1.2
111.04505	9.4
113.02483	3.1
115.04018	2.2
118.36543	0.8
119.03513	3.2
121.02920	1.4
123.00902	1.3
124.01675	1.0
125.02445	11.0
127.04008	21.2
129.05602	1.4
132.15297	0.7
134.03764	1.1
135.04575	1.0
137.02435	1.7
143.03459	1.1
151.00441	0.9
155.03499	17.4
161.04579	2.3
169.01407	12.8
177.01884	0.8
177.37802	0.7
179.05568	1.9
180.85419	0.8
182.26675	0.7
183.03070	0.9
199.02472	12.6
217.03514	8.8
235.04625	3.0
285.06049	1.1
285.92792	0.8
289.07019	0.9
313.05643	10.2
314.06305	1.0
331.17365	0.6
375.27594	1.0
433.24475	4.6
493.09863	1.8
493.16995	1.0
493.29929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27325	59.6
58.73621	58.8
76.58002	48.5
83.10078	57.6
85.74796	56.5
96.95975	67.1
101.81324	62.6
192.46478	52.4
229.08595	100.0
294.22815	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
61.26651	0.4
61.98829	100.0
65.60948	0.4
71.01374	0.6
76.76974	0.4
83.05025	0.6
85.02969	0.4
87.08571	0.4
101.02425	0.5
111.04549	0.6
112.04880	0.7
127.04053	1.4
128.04385	0.5
142.55608	0.4
155.03571	1.2
156.03857	0.6
187.03937	0.4
191.03510	0.6
199.02463	0.9
200.02861	0.7
212.05009	0.5
226.66698	0.5
227.03459	5.4
229.05116	0.7
241.05142	0.5
255.02986	9.2
256.03610	1.0
284.03268	10.1
285.04007	8.6
286.04568	0.9
301.03976	0.4
301.97873	0.4
431.09802	17.9
432.10208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.5
59.01378	100.0
61.62599	1.0
61.98820	1.5
69.03461	1.2
69.66147	2.3
69.66550	3.5
71.01379	39.7
71.05014	2.2
72.99298	1.0
73.02949	12.4
75.00864	4.0
83.01392	4.9
83.05024	1.8
85.02946	17.1
87.00891	2.3
87.04501	5.4
88.98750	1.4
89.02445	5.8
90.00242	1.3
95.01379	2.9
97.02913	1.2
99.00893	5.4
99.62078	1.0
101.02438	24.8
107.01383	1.5
111.08141	2.8
113.01722	1.5
113.02452	19.8
113.09715	1.2
119.03486	2.9
119.05022	2.3
122.02490	1.3
123.00843	1.7
123.04527	1.6
123.08160	2.6
125.02450	3.0
134.03697	1.0
135.03502	1.7
135.04529	32.5
137.09723	5.8
141.09203	1.1
143.03484	3.2
145.84314	1.1
151.00342	3.8
152.00940	1.2
153.01781	1.1
159.02939	4.4
161.04546	47.3
161.05898	2.5
162.04851	2.5
163.03923	1.2
163.11293	1.9
165.01826	1.3
166.75748	1.2
167.03520	4.9
168.00529	1.2
178.99820	1.1
179.03474	11.7
179.05606	2.4
181.12340	11.1
184.80617	1.1
193.22134	1.1
197.11804	1.4
199.13383	15.0
200.13492	1.1
205.03493	1.7
208.27867	1.1
227.16484	1.7
227.74359	1.1
251.16437	6.2
262.03915	1.2
269.17548	17.2
270.17819	1.4
297.10129	1.0
311.07709	14.3
334.97488	1.2
339.38217	1.0
340.63181	1.2
361.18427	2.7
431.22879	6.8
491.08044	2.7
491.28372	5.9
493.06149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25364	2.1
55.01878	2.8
57.03447	6.7
59.01377	100.0
59.85722	2.2
61.98830	59.8
68.89593	1.9
69.03454	4.4
69.49570	14.9
71.01378	78.3
72.17423	2.1
72.99310	3.3
73.02940	27.0
74.02457	3.1
75.00877	16.6
81.03445	3.6
83.01376	14.1
85.02952	43.0
87.00869	8.8
87.04510	27.7
89.02444	24.4
93.03465	4.1
95.01392	6.7
96.96044	3.7
97.02953	7.2
99.00888	12.8
99.04525	3.9
101.02441	60.3
103.04030	18.5
105.01950	3.9
108.02194	3.3
109.02943	4.5
113.02453	24.8
119.03526	12.2
123.04517	5.1
125.02429	22.9
127.04010	5.1
131.03506	2.0
137.02429	10.1
143.03474	6.0
151.00365	4.2
152.01198	3.2
153.01971	2.1
155.03488	3.2
159.03023	3.1
161.04541	16.9
162.04878	2.0
163.06120	20.1
182.02296	2.9
205.07191	3.9
207.17676	2.2
219.08736	13.8
247.08186	5.9
269.17563	64.9
270.17865	3.0
279.77896	2.1
293.17572	2.6
307.10556	3.8
327.07239	3.5
345.19180	10.2
365.14365	8.7
369.13727	3.5
370.13724	9.4
373.26196	3.1
431.22818	8.5
491.14841	4.9
491.20926	33.8
492.23288	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2663
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.29855	0.4
52.01899	0.5
52.36655	0.5
54.08280	0.4
59.01361	0.5
59.38012	0.5
66.03486	1.5
67.16046	0.4
71.02498	4.0
77.51692	0.4
83.02482	0.4
87.92007	0.4
90.61110	0.5
96.04456	0.5
96.96064	0.5
97.00422	0.7
98.01226	0.5
110.03596	1.8
111.02003	0.5
113.07214	0.7
115.08775	11.6
116.05048	1.6
118.06616	3.9
125.07210	3.7
126.05611	1.6
131.05048	0.7
141.06700	4.1
146.06128	10.0
152.08270	0.9
153.06683	1.4
154.07513	0.6
163.08763	1.0
167.11861	0.8
168.07774	0.7
169.13472	0.6
170.09335	3.0
173.07143	1.1
174.05623	1.4
179.11900	5.1
189.06635	0.6
194.12994	0.7
196.14534	1.0
197.12874	1.2
200.10855	1.6
202.12318	0.7
202.72224	0.5
214.15607	4.7
217.13425	1.6
227.11877	3.0
228.10336	2.5
240.07785	1.4
241.08070	0.6
245.12926	3.3
248.10785	1.0
262.15479	3.4
269.16177	1.2
271.05176	0.5
276.10394	0.7
293.12949	0.6
299.17606	0.8
326.18683	5.4
327.18945	0.8
344.19696	2.7
473.25342	0.7
491.26620	100.0
492.26926	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	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70057	1.0
54.81014	1.0
55.01859	1.2
57.03437	4.4
58.00551	1.4
59.01381	32.7
60.99310	1.2
61.98825	10.6
70.93617	1.6
70.93941	1.7
71.01382	26.8
72.99299	6.1
73.02930	2.1
75.00874	29.0
75.99942	1.1
77.37114	0.9
83.01363	3.0
83.05036	1.0
85.02949	29.1
87.00879	10.1
88.98808	5.0
89.02450	10.8
95.01384	3.1
96.96002	0.9
97.02919	1.1
97.53532	1.0
99.00866	9.2
101.02443	8.0
113.01721	1.9
113.02454	27.9
114.02782	1.0
115.00332	2.5
119.03475	4.0
125.02463	1.4
129.01953	1.5
131.03532	2.6
155.03581	1.4
161.04536	1.2
163.04019	1.9
173.04535	1.5
175.02449	4.4
175.03799	0.9
179.05670	1.2
183.04556	1.4
196.91505	1.5
199.02548	1.2
243.02783	1.3
251.16876	1.2
269.17654	1.6
271.02365	1.6
273.07681	1.0
365.90134	1.1
431.22839	2.6
491.21292	100.0
491.27872	4.9
492.21719	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	491.2283
Annotation	Scupolin J
Peak:m/z	Relative Intensity
54.85320	0.5
55.01868	1.0
57.03441	1.6
58.00581	0.6
59.01376	7.7
61.98835	1.9
68.76461	0.5
68.99835	0.9
69.28759	1.5
69.29181	2.9
71.01381	9.5
72.99332	0.6
73.02936	2.7
75.00906	0.6
77.48795	0.5
78.88775	0.5
83.01395	1.5
83.46343	0.5
85.02950	6.4
87.00874	1.0
89.02448	2.8
93.03455	31.8
94.03798	1.0
95.01369	2.4
99.00894	1.3
101.02446	8.9
108.02168	1.2
113.02444	3.7
121.02976	1.4
125.02432	0.9
126.53418	0.5
132.03032	0.6
136.01660	2.2
137.02443	85.3
137.09726	0.8
138.02791	2.3
143.03464	0.6
161.04561	0.7
179.03537	1.1
191.03432	0.5
197.09715	1.4
209.15457	1.6
221.04556	0.9
281.06760	0.8
491.22849	100.0
492.23236	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	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58508	0.6
55.66701	0.7
59.01371	3.7
61.36066	0.6
63.92188	0.7
69.35083	5.5
69.35426	1.0
70.23174	0.6
71.01368	3.7
73.02946	5.6
75.00861	1.1
76.11339	0.7
87.00866	1.8
88.92934	0.7
89.02444	23.1
90.15081	0.8
98.20665	1.5
99.00993	0.5
99.31171	0.6
101.46875	0.6
103.04010	1.6
103.61124	0.7
130.99895	1.2
131.03490	5.8
149.04556	100.0
150.04886	2.5
498.88181	0.8
503.84363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
52.67437	0.6
55.01869	1.7
55.85452	0.6
57.03447	5.8
58.00579	0.8
59.01376	33.4
61.98823	11.5
68.99827	0.9
69.03421	0.7
69.18333	6.9
71.01380	31.9
72.99307	4.7
73.02941	3.9
75.00871	31.8
83.01380	2.9
85.02948	30.4
85.03465	1.6
86.03294	1.1
87.00878	8.3
87.04539	0.8
88.98820	0.9
89.02442	12.9
92.18858	0.7
95.01392	3.4
97.02914	1.2
98.20667	1.3
99.00876	10.3
100.47886	0.7
101.02439	9.8
103.00367	0.8
105.01901	0.8
108.02250	0.8
108.16459	0.7
112.01665	1.4
113.02448	27.5
113.75990	0.7
115.00381	3.8
117.01910	1.5
119.03483	3.1
120.26128	0.7
125.02404	2.5
131.03456	1.7
137.02478	0.7
143.03459	1.1
149.04535	2.3
153.12827	1.2
157.01437	1.4
161.04558	1.9
166.26620	0.7
173.04529	2.2
175.02501	3.4
179.05710	0.7
179.10818	1.1
191.05566	0.9
197.11784	1.7
269.17670	1.3
431.22882	9.2
432.23276	1.1
491.21280	100.0
492.21683	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	489.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13436	0.6
59.01381	100.0
60.01713	1.0
69.37935	3.8
75.73294	0.5
91.04034	1.4
94.12489	0.5
150.64081	0.5
168.43486	0.4
172.34843	0.5
185.34088	0.4
210.22858	0.5
282.84036	0.6
347.33496	0.5
355.32040	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	489.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	1.0
63.38160	0.7
83.67845	0.6
91.04001	1.2
95.86762	0.6
101.72946	0.7
110.05257	0.6
172.25638	0.7
290.55508	0.7
355.32285	2.1
394.61771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53024	0.3
55.83606	0.3
57.03458	0.8
59.01382	3.7
60.17394	0.3
61.98829	100.0
63.46653	0.4
69.37267	1.9
69.37672	0.6
71.01387	1.5
83.05042	0.4
85.02962	2.7
87.00884	0.6
88.98785	0.4
89.02486	0.5
99.00884	0.4
105.01923	0.4
108.10999	0.4
113.02476	0.4
121.02975	0.9
122.03280	0.4
123.04527	3.6
125.02489	0.7
127.04004	0.5
129.01938	2.4
130.02332	0.7
132.02171	0.4
132.03117	0.4
134.03781	1.2
137.02449	0.5
147.03032	0.6
149.02444	0.4
151.04070	0.3
153.05577	3.8
155.03593	0.6
160.01665	1.2
166.83073	0.3
173.00946	0.4
175.03949	2.0
182.04559	2.3
191.01974	0.4
193.05095	1.1
210.62129	0.4
217.03416	0.4
229.08751	0.8
252.05966	0.4
269.04849	0.4
269.17886	0.5
273.07782	0.4
299.09280	0.4
301.47141	0.4
337.09213	2.4
342.28244	0.4
358.10583	0.4
369.13553	1.4
370.10519	0.6
373.13120	1.7
385.12973	1.2
491.15170	0.6
491.21463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03444	0.8
59.01094	0.4
59.01376	11.4
61.98833	2.3
63.33506	0.5
67.99876	0.7
69.03439	0.5
69.42021	1.3
69.42449	3.2
70.47344	0.6
71.01377	8.1
72.99310	0.8
73.02956	1.3
83.01389	1.4
83.05030	0.9
85.02945	4.3
88.13587	0.7
89.02447	3.0
92.02690	0.8
93.03460	39.1
94.03802	0.7
95.01398	2.5
98.20638	1.1
99.00931	1.1
101.02437	4.4
107.05019	1.5
108.02218	1.2
113.02427	3.4
121.02969	1.1
121.06586	0.9
125.02454	1.1
127.13821	0.6
135.04514	2.1
135.35666	0.5
136.01666	12.9
137.02443	100.0
137.09720	8.6
138.02776	3.1
138.10017	0.7
149.02446	2.5
151.04028	4.8
161.04532	0.7
179.03494	67.5
180.03833	2.5
209.04539	28.0
210.04849	1.0
233.04681	0.8
239.05597	82.0
240.06033	3.5
281.06628	1.1
299.07727	11.4
300.07977	0.8
474.17014	0.8
489.20987	4.9
490.21643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23513	0.6
51.66911	0.6
55.01881	3.5
56.18409	0.5
57.03434	2.7
58.00595	0.8
59.01380	22.8
61.98820	0.9
63.73983	0.6
70.82619	1.9
71.01380	36.6
72.99301	1.8
73.02943	18.3
77.46645	0.6
83.01385	8.9
85.02951	20.4
86.00094	1.3
87.00871	1.8
89.02444	9.1
95.01384	3.7
97.02941	1.7
99.00885	10.6
101.02443	33.1
102.02753	0.8
111.00857	0.8
112.01627	0.9
113.02452	17.2
119.03518	1.1
125.02395	1.4
129.01920	0.8
131.03525	1.6
138.07874	0.6
143.03465	1.9
159.02977	2.7
161.04541	14.5
357.22812	36.7
358.23108	3.5
489.27048	100.0
490.27325	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	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
57.03447	17.2
57.06332	0.9
59.01379	15.6
61.98822	6.9
64.51969	0.9
65.34865	1.0
67.01854	1.0
68.99810	1.1
69.18330	2.2
69.18746	7.0
71.01376	11.6
72.99001	0.8
72.99319	9.2
73.02943	1.9
75.00877	6.2
77.30404	0.9
83.01371	2.6
84.02200	1.4
85.02947	100.0
86.03286	1.4
87.00854	4.2
89.02428	1.7
95.01351	1.6
99.00866	2.1
99.78131	0.9
101.02432	2.7
103.00288	1.2
109.02904	1.4
111.00863	5.6
113.02421	4.7
115.00388	1.2
117.03423	1.7
121.02954	45.1
122.03275	1.0
123.04507	1.7
125.02407	3.2
127.04020	1.7
129.01938	63.1
130.02280	2.6
133.02881	1.4
133.06555	2.7
134.03732	19.5
135.04565	4.7
137.02425	2.1
147.02972	21.3
149.06126	2.2
151.03885	1.7
155.03470	1.5
160.01653	6.5
161.02417	1.6
161.04703	1.6
161.06038	3.5
173.00899	13.7
175.03998	4.9
177.05618	1.3
178.02600	1.8
189.05557	4.8
191.01958	18.0
193.05046	15.6
204.31563	1.0
209.11894	1.5
217.03500	1.6
233.04477	1.2
251.05592	25.3
261.07675	3.2
295.04517	3.8
313.05695	7.3
323.07700	3.8
367.06540	1.6
488.38135	1.2
489.20242	10.9
489.27066	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	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
57.03447	17.2
57.06332	0.9
59.01379	15.6
61.98822	6.9
64.51969	0.9
65.34865	1.0
67.01854	1.0
68.99810	1.1
69.18330	2.2
69.18746	7.0
71.01376	11.6
72.99001	0.8
72.99319	9.2
73.02943	1.9
75.00877	6.2
77.30404	0.9
83.01371	2.6
84.02200	1.4
85.02947	100.0
86.03286	1.4
87.00854	4.2
89.02428	1.7
95.01351	1.6
99.00866	2.1
99.78131	0.9
101.02432	2.7
103.00288	1.2
109.02904	1.4
111.00863	5.6
113.02421	4.7
115.00388	1.2
117.03423	1.7
121.02954	45.1
122.03275	1.0
123.04507	1.7
125.02407	3.2
127.04020	1.7
129.01938	63.1
130.02280	2.6
133.02881	1.4
133.06555	2.7
134.03732	19.5
135.04565	4.7
137.02425	2.1
147.02972	21.3
149.06126	2.2
151.03885	1.7
155.03470	1.5
160.01653	6.5
161.02417	1.6
161.04703	1.6
161.06038	3.5
173.00899	13.7
175.03998	4.9
177.05618	1.3
178.02600	1.8
189.05557	4.8
191.01958	18.0
193.05046	15.6
204.31563	1.0
209.11894	1.5
217.03500	1.6
233.04477	1.2
251.05592	25.3
261.07675	3.2
295.04517	3.8
313.05695	7.3
323.07700	3.8
367.06540	1.6
488.38135	1.2
489.20242	10.9
489.27066	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	487.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
57.03437	2.0
58.00580	1.6
59.01381	29.1
70.94527	1.8
71.01378	41.0
72.47651	0.6
72.99315	2.1
73.02945	18.7
75.00861	0.7
83.01381	6.7
85.02943	19.8
86.00111	1.2
87.00876	2.1
89.02444	16.2
95.01405	3.6
97.02937	1.8
99.00883	9.5
101.02441	35.5
111.00892	1.5
112.01708	0.7
113.02450	21.1
119.03543	5.0
121.52463	0.7
125.02430	1.2
125.09629	0.7
131.03484	2.6
143.03500	2.3
149.04543	2.2
159.02962	2.7
161.04556	12.6
179.05608	2.5
280.79840	0.6
355.21246	31.4
356.21317	3.2
451.25348	2.9
487.25455	100.0
488.25900	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.91022	8.8
74.95158	1.9
77.37850	2.6
98.20643	2.9
125.52160	1.8
125.77872	2.1
155.52895	1.8
213.78329	1.9
253.21809	3.9
484.78555	2.0
488.34891	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75882	1.0
55.01873	2.6
57.03444	15.0
59.01376	16.9
61.98833	5.3
68.99849	1.2
71.01379	14.6
72.99307	7.5
73.02941	2.6
75.00881	8.0
83.01385	3.7
84.02179	2.4
85.02945	100.0
86.03287	1.3
87.00879	2.9
89.02477	1.1
89.07803	1.1
99.00880	1.8
101.02441	3.8
111.00864	6.2
113.02452	3.7
115.00419	1.5
117.03506	1.6
121.02951	39.9
122.03265	1.5
125.02453	3.7
129.01941	56.9
130.02330	1.4
133.06578	3.2
134.03741	17.7
135.04503	4.0
137.02426	1.2
147.02980	19.8
149.06035	1.1
151.03996	1.5
153.01935	1.4
159.04459	1.1
160.01659	5.8
161.02386	1.9
161.06018	1.4
173.00925	10.1
175.04007	6.8
177.01912	1.4
177.05540	5.5
189.05545	3.6
191.01981	24.4
193.05040	12.1
251.05594	26.5
252.05898	1.6
261.05325	1.0
261.07703	1.2
267.16022	2.0
295.04590	5.9
313.05597	11.0
314.06104	1.2
323.07639	4.0
489.19699	14.0
489.26907	3.9
490.19275	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	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45831	1.0
59.01373	2.1
61.98830	100.0
66.47665	0.7
71.01365	1.1
74.67291	0.7
83.73820	0.8
99.00922	0.8
113.02452	0.9
125.02383	0.9
128.03520	1.7
131.09549	0.9
143.04649	1.9
151.00400	1.0
193.06570	44.1
210.08818	0.9
215.89966	0.9
229.41232	0.8
272.08893	1.1
288.14404	1.5
308.07617	2.2
487.16251	3.2
487.22357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.268
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35799	0.5
69.49269	3.7
85.50523	0.5
88.04038	56.2
89.04370	0.7
96.28806	0.5
96.96000	1.7
102.43239	0.5
147.08163	2.7
149.09671	1.5
152.64581	0.6
161.09671	0.7
163.11298	2.4
187.11269	2.1
206.90762	0.6
218.60072	0.6
279.13641	0.8
280.14871	0.8
307.17017	0.8
309.22131	2.1
315.15836	0.5
337.21716	100.0
338.22015	9.9
338.25723	1.0
382.27521	0.8
486.27005	12.7
487.27301	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83440	0.6
59.01382	3.6
59.91099	0.5
61.98808	0.8
71.01378	3.9
71.51320	0.8
73.02934	1.8
82.23766	0.6
84.19837	0.6
85.02956	1.6
87.00877	0.9
89.02431	1.5
93.03435	0.8
99.00864	2.8
99.92580	3.6
101.02440	2.2
105.86131	0.6
108.02161	1.5
109.02998	1.2
110.16138	0.6
115.92055	2.8
116.92847	6.6
119.05014	1.6
120.01244	0.7
121.02934	1.6
123.00859	0.6
123.04494	0.6
124.29299	0.6
125.02410	1.5
133.02942	2.3
134.03738	76.1
135.04187	1.9
137.02446	10.1
139.03998	2.1
145.02916	0.9
149.06076	35.3
150.03203	1.2
150.06386	1.9
151.03908	0.8
152.01097	1.3
163.04005	0.7
165.01866	0.7
175.04028	0.9
176.04877	1.0
178.02704	37.2
179.03200	1.5
191.05473	0.7
191.07092	1.5
193.05049	63.2
194.05365	2.7
200.64696	0.6
203.07021	0.7
235.06097	1.8
259.06100	0.8
268.51718	0.7
287.05627	1.0
451.07126	2.3
487.14603	100.0
487.64499	0.7
488.08481	0.9
488.14948	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	486.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48925	0.4
59.01376	9.8
61.98809	0.4
64.26372	0.4
69.03448	0.7
69.84675	2.0
71.01379	7.8
78.16698	0.4
81.21509	0.4
85.02971	0.8
89.02444	10.9
98.06116	2.7
100.07655	0.8
101.02455	4.1
104.18369	0.4
113.02447	3.6
119.03539	4.0
126.05646	0.5
127.05125	1.0
142.05118	0.9
143.03477	0.9
144.06662	100.0
145.06047	3.7
145.07040	1.8
161.04564	1.3
179.05594	5.6
179.94661	0.5
239.52068	0.4
341.10873	28.7
342.11160	1.8
410.65677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.2
66.63280	0.3
69.03465	0.9
69.54893	1.9
71.01377	8.7
72.64169	0.3
80.05025	0.4
82.02995	0.6
85.02927	0.8
87.00861	0.4
89.02438	11.1
95.01370	0.4
98.06122	2.1
100.07690	0.5
101.02425	3.8
106.99854	0.3
113.02436	3.5
114.02740	0.4
119.03502	4.4
126.01981	0.6
126.05598	0.7
127.05120	0.7
131.03493	0.6
142.05089	0.5
143.03488	1.1
144.06657	100.0
145.06055	3.4
145.07208	2.2
161.04579	1.4
179.05629	6.7
187.51616	0.4
247.26878	0.4
341.10867	32.1
342.11194	2.2
380.79358	0.4
481.14142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98829	100.0
63.90192	0.3
69.61992	1.8
71.01407	0.4
80.18633	0.3
92.12728	0.3
96.96018	0.6
97.33477	0.3
125.02480	0.5
135.08185	0.6
149.11566	0.3
177.01936	0.5
205.01462	1.2
242.30696	0.3
289.07236	0.5
295.06335	0.3
323.05798	0.7
486.20862	0.5
487.12695	2.4
487.19656	0.5
513.47662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98829	100.0
63.90192	0.3
69.61992	1.8
71.01407	0.4
80.18633	0.3
92.12728	0.3
96.96018	0.6
97.33477	0.3
125.02480	0.5
135.08185	0.6
149.11566	0.3
177.01936	0.5
205.01462	1.2
242.30696	0.3
289.07236	0.5
295.06335	0.3
323.05798	0.7
486.20862	0.5
487.12695	2.4
487.19656	0.5
513.47662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42451	1.2
52.62693	1.1
57.03444	2.5
59.01380	20.7
61.98823	1.9
67.38181	1.1
71.01377	21.7
71.51060	2.4
73.02931	6.0
85.02954	10.2
87.00885	5.8
89.02438	10.3
93.29100	1.1
96.96014	1.9
97.41689	1.2
99.00873	2.3
101.02442	18.3
108.02158	1.3
109.01541	1.1
109.02917	1.4
112.13415	1.2
113.02441	7.2
119.03490	5.1
131.03477	4.1
134.03745	2.6
143.03464	1.3
145.07709	1.5
146.04793	1.4
149.06020	2.2
159.02924	1.6
160.06427	7.6
161.04579	7.7
161.07191	62.1
162.07536	2.9
175.08745	22.7
175.10178	2.4
187.08846	3.7
189.06686	100.0
190.06975	3.8
193.05054	5.8
203.08260	23.4
204.08658	1.4
209.03075	1.4
221.06612	5.5
229.09836	1.7
263.39627	1.3
305.11423	12.9
306.11829	1.7
314.98447	1.3
323.12415	1.7
355.10318	2.0
457.18802	1.5
467.16745	2.1
485.17746	90.8
486.18149	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	485.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09629	1.9
55.01880	2.1
55.34094	2.2
57.03439	4.2
58.00586	4.8
59.01380	87.7
61.98836	18.0
69.03453	8.2
71.01379	58.2
71.51397	2.8
72.99297	5.8
73.02934	25.7
78.37826	2.0
78.95912	2.2
81.03460	6.1
83.01375	8.1
83.05022	8.0
85.02950	32.5
87.00868	5.5
88.98801	2.1
89.02444	39.2
93.03435	2.7
95.01369	4.2
96.95992	4.5
96.96987	4.5
97.02955	12.1
99.00853	3.8
99.04520	9.7
101.01795	3.9
101.02444	57.9
103.04012	40.6
103.14596	1.8
108.02168	8.7
109.02942	8.9
111.00887	2.2
111.04517	7.2
113.02431	6.5
116.92805	2.3
119.03499	16.8
125.02448	55.4
127.04042	3.1
128.48593	2.0
129.74593	1.9
131.03496	2.2
136.01678	2.8
136.05206	2.0
137.02438	4.8
137.06071	4.0
137.56056	2.0
143.03476	5.2
145.05101	6.5
147.08095	2.3
149.06046	5.1
151.07574	1.9
152.01123	7.5
153.01971	4.6
162.06873	34.1
163.04021	2.7
163.06113	20.8
167.03529	2.6
169.01413	4.1
173.06062	3.9
175.07568	2.9
176.08430	61.5
177.01790	2.3
177.09216	100.0
178.09503	5.0
191.01923	2.6
191.07063	7.7
205.06978	2.4
205.38083	2.0
209.03021	2.3
241.89401	2.0
245.15421	2.6
247.08276	16.1
304.01450	2.3
307.10333	14.0
327.04431	2.4
391.12335	2.1
464.82428	2.1
476.31494	2.1
485.21341	28.5
486.21033	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	484.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07400	1.6
58.02973	12.2
59.01381	7.9
59.18341	2.1
61.98827	21.4
71.01363	2.5
74.02470	28.2
78.95885	1.9
81.04559	2.5
81.52072	2.0
83.23344	2.0
86.02477	9.5
86.36099	1.8
86.99146	2.2
87.05642	7.4
90.00169	3.2
90.77893	1.9
96.96018	2.1
97.04044	1.9
98.19885	5.3
99.05647	27.0
102.05582	3.8
109.04091	4.6
111.05667	2.1
112.04037	3.0
121.02936	2.2
123.04482	2.0
123.05656	2.9
123.08147	2.7
125.02445	5.6
125.03495	2.4
127.05112	4.9
128.03539	67.1
135.05646	7.7
137.02438	7.9
137.07188	2.0
138.02820	1.9
141.06706	6.9
143.04620	87.6
143.05763	4.6
145.06187	2.2
146.04597	8.3
150.03174	2.9
151.04004	4.7
153.06718	6.8
160.00726	27.3
165.01952	3.6
166.09869	2.1
167.04617	6.2
167.08270	5.6
169.12248	1.7
171.07742	2.2
173.05954	2.1
175.07501	2.2
175.57025	2.1
177.03377	8.3
179.03244	2.2
179.04646	21.4
185.05676	4.3
192.07722	1.9
197.05634	3.2
203.07184	2.2
210.08884	17.5
243.06633	4.6
254.07820	30.2
272.08856	39.6
272.11600	3.4
273.09082	2.3
288.06543	14.5
297.09534	3.1
306.07632	100.0
307.07974	6.3
330.70557	1.9
346.06802	2.0
368.12302	6.0
386.13245	3.2
416.72873	2.1
422.16910	2.6
424.21109	3.4
478.95731	2.0
484.21426	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	484.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48126	1.6
58.02977	10.9
61.98819	8.4
70.02966	2.0
71.18755	2.1
71.29168	3.0
71.29523	2.1
74.02469	28.5
82.02984	4.8
83.28925	1.7
86.02477	12.6
87.05643	10.2
88.04042	2.7
95.38254	1.8
96.04537	2.7
97.04080	4.0
99.05641	23.1
101.07190	2.3
102.05599	4.6
109.04045	2.7
112.04021	2.9
113.03589	2.5
116.01746	2.6
123.05676	2.8
125.78860	1.7
127.05151	4.8
128.03543	76.2
135.05653	4.2
135.08121	6.1
137.07222	3.5
141.06673	5.9
143.04619	96.1
145.06152	3.4
146.04611	8.2
153.06700	6.9
160.00743	32.0
166.09810	2.7
167.04553	6.6
167.08226	4.1
168.86392	1.7
171.07674	2.3
177.03380	9.8
179.04625	21.9
181.06093	3.5
185.05525	2.6
192.07758	1.9
197.05637	3.8
198.08717	2.0
202.68176	2.1
210.08839	20.8
242.07809	2.3
254.07838	33.8
272.08844	51.8
273.08771	2.5
288.06598	16.9
306.07642	100.0
307.07870	8.1
484.20709	5.8
501.50952	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06522	0.2
52.29103	0.2
56.54520	0.3
58.74908	0.2
61.84451	0.3
70.24622	0.2
78.95905	6.2
94.38042	0.2
94.94391	0.2
96.96917	0.4
97.92744	0.2
128.92873	0.2
152.99571	13.5
171.00613	1.0
202.98199	0.3
227.03255	3.4
236.89540	0.2
245.04300	1.2
255.23274	100.0
256.23611	7.2
483.27261	24.3
484.27539	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	484.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98830	100.0
62.76007	0.5
62.87484	0.5
71.01394	0.6
85.02966	1.4
89.02404	0.5
95.07214	0.4
97.16856	0.4
98.20764	0.9
108.02206	0.7
125.02441	2.1
137.02454	0.5
149.99609	0.7
168.00647	1.4
180.03822	0.4
381.38345	0.5
398.64102	0.5
421.11569	0.6
484.15454	1.5
485.13425	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	484.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84080	1.5
58.02980	13.4
61.98816	2.8
70.02988	1.6
71.01363	2.3
71.29011	2.6
74.02477	24.8
77.50859	1.4
82.02969	3.3
86.02481	8.7
86.99083	2.5
87.05624	4.7
90.00195	2.8
96.04472	1.4
97.04057	3.7
99.05637	20.5
100.04035	1.6
101.07219	3.4
102.05611	3.6
107.06144	1.5
109.04073	3.7
111.05634	2.0
116.92462	1.5
123.05615	2.6
123.08159	3.6
125.03575	4.7
127.05115	4.4
128.03545	60.9
135.05640	6.0
135.08095	3.1
137.07077	1.4
141.06673	6.5
143.04623	91.2
144.04942	1.9
145.06155	4.0
146.04568	8.4
153.06676	6.7
155.08325	2.0
160.00720	28.2
166.09778	4.3
167.04594	5.2
167.08192	3.0
170.03241	2.6
171.04155	2.1
177.03395	10.9
178.41634	1.6
179.04620	21.8
181.06177	2.2
185.05632	4.1
192.07733	2.4
197.05698	4.6
210.08812	15.8
219.69234	1.5
254.05443	2.5
254.07837	31.4
255.08261	2.0
272.08878	43.5
273.09192	1.8
288.06625	14.2
306.07651	100.0
307.07870	5.5
413.15253	1.6
484.21124	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	483.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81908	0.3
57.03445	0.4
59.01376	4.7
60.97423	0.4
61.98817	1.4
67.01888	0.7
69.03458	0.7
70.93582	0.4
71.01376	4.0
72.99301	1.1
73.02949	0.7
75.00852	0.6
76.21143	0.4
78.95900	0.5
79.01881	0.9
83.01382	1.2
85.02953	2.4
87.00856	0.4
89.02454	1.3
95.01387	1.7
96.96002	1.0
96.96964	0.7
97.02956	0.8
101.02428	2.7
107.01392	3.8
108.02201	2.1
109.02950	1.2
111.00885	3.0
113.02435	1.2
123.00887	14.7
124.01730	1.7
125.01524	0.9
125.02449	16.9
126.02804	0.5
127.00352	1.0
136.98819	1.7
137.02414	0.9
139.00383	6.7
140.01164	3.7
141.01988	1.8
142.78400	0.3
150.99185	0.7
151.00369	10.6
151.03909	0.3
152.01080	1.6
153.01932	1.2
163.04036	0.4
165.01918	0.5
165.05569	0.6
168.00636	4.5
169.01422	20.1
170.01759	0.9
177.04091	0.7
181.05035	0.5
211.02454	2.2
270.72293	0.4
271.04547	1.0
313.05695	1.3
365.17007	0.5
386.08487	0.5
483.18729	100.0
484.19037	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	483.1881
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01853	0.5
57.03436	0.4
59.01384	2.8
61.98832	3.7
67.01898	0.7
69.03455	0.6
71.01367	3.1
73.02950	0.9
78.95915	1.9
79.01884	0.7
80.64668	0.3
81.03432	0.6
83.01373	1.0
85.02950	3.7
86.00076	0.3
87.00817	0.4
89.02461	0.8
93.03446	0.4
95.01382	1.5
96.96010	7.0
96.96954	3.7
97.02954	0.8
98.19944	1.1
99.00895	0.5
101.02427	2.7
103.03965	0.5
107.01388	2.2
108.02171	22.3
109.02958	9.7
110.03270	0.3
111.00871	2.2
113.02444	1.1
119.03525	0.4
121.02944	0.9
123.00890	9.3
123.04540	0.6
124.01646	0.5
125.02451	10.2
127.00356	0.8
129.01944	0.8
135.04523	0.6
136.98804	0.9
137.02440	1.5
139.00363	4.2
140.01181	3.2
140.93294	0.3
141.01904	1.2
149.02510	0.4
151.00365	7.6
151.03952	0.4
152.01147	16.4
153.01932	5.2
153.96257	0.3
155.03430	0.6
161.04663	0.5
161.06064	0.5
163.03999	0.9
165.01874	0.5
167.03523	0.5
168.00656	3.2
169.01421	12.3
175.07664	0.9
185.11787	2.2
205.03433	0.6
211.02440	1.6
240.48096	0.3
271.04529	0.7
296.32568	0.4
313.05634	0.5
483.18689	100.0
484.18967	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	483.1141
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
55.55720	0.9
59.01386	2.9
61.98827	1.7
67.01883	2.0
68.43779	0.9
69.03457	1.8
69.49935	6.7
69.68279	1.0
71.01374	7.6
72.99265	1.2
73.02926	1.5
79.01900	1.6
81.03480	1.5
82.00624	0.9
83.01415	2.3
85.02950	6.0
85.25006	1.0
85.76211	0.9
87.00877	4.2
93.03316	1.0
95.01381	3.5
96.23795	0.8
96.26110	1.0
96.76039	0.9
96.96005	1.3
97.02949	1.0
101.02431	2.6
107.01389	10.3
109.02934	1.9
110.00116	1.9
111.00880	8.1
113.02463	2.7
115.00370	1.5
123.00879	12.1
124.01675	4.1
125.02449	76.0
126.02766	1.5
127.00389	2.8
129.01923	1.6
133.02965	2.4
135.04573	1.8
136.98767	4.6
137.02448	2.0
138.98700	1.2
139.00377	19.0
139.04002	1.1
140.01175	11.8
141.01913	1.9
143.01151	1.0
149.02426	1.4
151.00394	9.1
151.03920	1.1
153.01945	8.6
154.02745	5.4
154.99879	1.1
155.03506	4.1
157.01425	2.4
161.02428	6.1
167.03448	2.3
168.00636	16.6
168.04211	1.0
169.01419	100.0
169.04985	2.3
170.01761	2.7
175.02470	2.3
179.03374	1.4
183.02989	3.3
193.01428	2.1
203.03438	1.6
211.02480	13.8
229.05040	1.2
241.03499	2.5
271.04590	13.2
297.06110	4.6
313.05646	47.3
314.05972	2.7
327.07239	2.3
331.06680	3.1
379.06586	1.2
439.08948	1.1
480.63202	1.0
483.07431	24.6
483.11261	75.0
484.12790	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	483.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98823	1.2
65.00286	0.7
67.01882	1.3
69.03451	1.2
69.32409	5.8
71.01377	6.8
73.02944	1.1
75.00851	0.8
79.01880	1.0
81.03444	1.0
83.01413	1.3
85.02953	3.5
87.00871	2.9
89.02483	0.9
95.01412	1.4
96.96003	0.8
97.02930	1.8
101.02435	2.3
107.01391	9.5
109.02969	0.7
110.00109	0.8
111.00900	4.8
111.04572	0.8
113.02449	2.5
117.68274	0.7
123.00884	8.9
124.01704	2.9
125.02446	71.0
126.02785	1.9
127.40145	0.6
133.02953	1.3
134.19835	0.7
135.04552	1.1
136.98819	2.3
137.02443	1.8
139.00380	8.3
139.03983	1.4
140.01207	6.7
151.00377	9.4
151.04044	0.9
153.01910	3.6
154.02721	2.8
155.03444	1.3
157.01421	1.1
161.02419	3.7
167.03490	2.1
168.00638	10.7
169.01419	100.0
170.01782	2.9
175.02531	1.2
179.03517	1.0
183.02953	1.6
193.01421	3.7
203.03491	1.4
209.04405	0.6
211.02480	23.1
212.02715	0.7
229.04884	0.8
239.05405	0.6
241.03558	2.3
253.03406	0.9
271.04550	18.5
272.04730	0.8
297.06119	2.0
313.05661	38.0
314.06036	2.7
331.06796	3.3
425.94873	0.8
433.98236	0.8
483.07971	64.9
484.08215	7.4
484.13525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.114
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
52.93265	0.5
59.01370	2.2
67.01888	0.9
68.99806	0.5
69.03441	0.5
70.02994	2.2
71.01385	5.9
72.99304	0.6
73.02947	1.0
75.00485	0.6
75.00871	3.3
77.80760	0.6
79.01894	0.8
83.01392	1.8
85.02951	4.9
87.00880	2.1
95.01379	2.2
96.95977	0.6
97.02975	0.9
98.20027	0.8
99.00880	1.4
101.02449	2.2
107.01396	6.7
109.02977	1.0
111.00869	5.3
113.02470	3.5
115.00372	0.9
123.00883	12.0
124.01682	3.0
125.02447	31.8
126.02810	1.2
127.00388	1.5
133.02896	0.9
135.04472	1.0
136.98828	2.6
137.02448	1.3
139.00375	23.3
139.04022	2.1
140.01158	12.7
141.01953	3.4
149.99619	1.1
150.33720	0.6
151.00368	6.7
151.04053	1.2
153.01917	3.8
154.02711	13.9
155.03517	4.2
156.18701	0.6
161.02487	2.9
165.01961	0.8
168.00636	9.7
169.01418	33.4
169.05075	6.5
170.01776	1.3
175.02448	0.8
179.03442	1.0
182.02165	0.9
183.02980	9.8
203.03328	0.8
211.02483	1.4
225.04138	1.5
229.05008	1.3
250.18445	0.6
285.06177	2.6
297.06143	2.3
313.05646	7.8
327.07291	5.0
331.06802	1.9
339.76013	0.7
483.11493	100.0
483.20752	6.9
484.11880	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	483.078
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01404	2.3
61.98856	0.6
67.01891	1.1
69.03459	1.6
69.86176	1.2
69.86532	3.2
71.01396	2.5
73.01904	0.7
73.02966	0.6
75.51062	0.6
79.01910	1.0
81.03445	1.7
83.01398	1.0
85.02949	1.0
87.00885	0.7
89.02441	0.9
93.94917	0.5
95.01385	1.9
97.02969	1.8
101.02457	1.7
105.65722	0.7
107.01384	8.0
110.00104	0.6
111.00877	3.8
113.02441	1.5
116.55255	0.7
121.02969	0.7
123.00892	6.5
123.04527	4.5
124.01644	4.1
125.02450	100.0
126.02782	2.2
136.98836	1.4
137.02455	2.0
139.00394	5.2
139.04031	1.1
140.01176	5.8
149.02448	0.9
151.00354	2.8
153.05588	5.2
153.36955	0.7
154.02623	0.8
155.03568	0.9
165.01900	1.6
167.03476	2.0
168.00653	16.0
169.01428	99.8
170.01759	3.6
179.03380	0.7
181.01337	1.5
183.02898	2.1
193.01404	18.3
194.01825	1.0
210.48479	0.6
211.02480	49.0
212.02766	2.4
241.03458	2.4
271.04587	37.2
272.04788	2.7
287.07700	9.5
313.02292	1.3
313.05667	18.0
314.06036	1.4
331.06680	19.6
332.06964	0.9
333.42972	0.7
339.87457	0.6
439.03101	1.1
439.08783	22.6
440.08813	2.4
447.15024	4.1
448.15256	0.7
465.06555	3.2
483.07507	44.2
484.07861	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44950	0.8
52.35457	0.8
59.01374	2.9
61.98818	2.1
63.10967	0.8
67.01889	1.0
69.03424	1.6
69.06213	0.8
69.30973	4.9
69.31398	2.6
71.01398	4.0
72.99314	1.6
75.09270	0.8
81.03391	0.8
83.01382	1.4
85.02946	1.3
87.00851	0.9
89.02431	1.6
95.01385	2.0
96.95998	2.6
97.02914	1.7
101.02421	2.9
107.01411	8.6
111.00854	3.8
112.98273	0.8
113.02459	2.3
123.00890	9.1
123.04527	1.4
124.01633	3.3
125.02447	78.7
126.02766	2.5
136.98766	1.6
137.02402	2.6
139.00356	6.3
140.01198	5.6
141.01918	1.1
151.00331	5.5
153.05510	1.6
165.01869	1.9
166.99792	1.7
167.03490	1.8
168.00645	15.8
169.01421	99.9
170.01735	3.3
181.01418	4.7
183.02946	2.6
193.01418	13.0
211.02472	50.0
212.02802	1.2
235.02296	1.6
241.03532	1.9
253.03391	2.4
258.60251	0.9
271.04572	27.6
272.04861	1.1
287.07675	1.1
295.04156	1.2
313.05606	7.4
331.06732	8.3
405.04697	1.3
423.05679	39.2
424.05887	3.6
426.23776	0.9
439.08795	3.0
447.14636	1.6
483.07687	100.0
484.08121	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	483.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15527	1.2
54.20572	1.1
54.27418	1.0
59.01362	2.8
61.98779	1.4
67.74144	1.0
68.02038	1.5
69.03423	2.6
70.00188	4.6
71.01351	3.7
73.02921	1.6
75.00853	1.9
79.01848	1.4
81.03441	2.0
83.01350	1.6
85.02950	6.1
87.00829	3.8
90.84930	1.0
95.01354	3.6
96.95975	1.8
97.02907	3.0
98.20660	1.2
101.02406	2.6
105.38206	1.1
107.01416	6.1
109.02910	1.9
111.00838	3.1
113.02372	3.9
115.00328	1.2
123.00873	14.7
124.01665	23.7
125.02452	87.4
126.02703	3.5
133.02890	2.1
135.04491	2.0
137.02362	1.8
139.00378	7.7
140.01057	4.6
149.99585	29.6
151.00356	6.8
153.01810	2.1
154.02614	4.0
155.03392	2.1
155.51546	1.1
157.01390	1.2
161.02444	5.6
167.03372	2.6
168.00641	75.0
169.01428	36.2
169.05014	1.5
170.01671	1.1
172.22415	1.0
173.33353	1.0
175.02449	1.6
183.02835	3.0
193.01245	1.6
194.99214	3.1
203.03412	2.3
211.02359	2.8
229.04976	2.6
229.40550	1.0
237.94743	1.3
313.05591	14.5
327.06824	2.3
331.06693	75.6
332.06702	4.6
345.94882	1.2
439.08774	12.1
440.08792	2.0
473.02209	1.2
483.07300	100.0
483.20657	6.9
484.07581	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.223
Annotation	Withaphysalin M
Peak:m/z	Relative Intensity
55.81747	0.8
56.68557	0.8
57.03459	1.2
61.98832	1.2
66.93341	0.7
68.18282	0.7
68.91451	0.8
69.03462	0.9
71.01406	0.9
78.95913	1.6
79.43591	0.7
81.03484	0.9
83.01395	3.2
86.34740	0.7
91.72449	0.7
92.04518	0.9
93.03455	1.5
95.05034	1.4
97.02966	4.4
98.20618	2.4
108.02161	0.9
109.02955	12.4
121.02964	4.0
122.03738	10.4
123.04559	8.2
124.01665	3.5
125.02451	2.8
128.22498	0.7
135.04524	1.6
136.01682	1.3
137.02440	32.3
138.03217	1.9
139.03992	2.0
145.03012	1.0
146.03714	2.0
148.62231	0.7
149.02429	2.8
150.03180	1.5
151.03992	4.0
154.02745	2.6
159.04544	3.1
160.05312	1.1
161.02460	1.7
161.06128	3.8
162.03194	1.5
163.03976	1.1
164.01160	6.6
165.01918	50.7
165.05624	1.3
166.02325	2.3
167.03517	1.9
175.03954	1.2
175.07571	1.1
177.01892	1.2
177.05725	1.0
179.03470	6.7
187.04037	2.9
188.04741	1.8
189.05566	1.1
201.05545	2.4
202.06259	0.9
203.07120	8.6
205.05020	4.8
229.04951	1.1
229.08598	1.0
244.07368	1.9
247.09792	1.0
261.07642	1.1
288.06418	4.3
290.21674	0.8
317.17734	2.2
329.17578	2.3
331.19159	1.4
369.20850	0.9
393.20645	1.6
403.23856	0.9
419.22186	1.2
437.23358	7.2
438.23816	1.0
463.17450	1.5
481.22385	100.0
482.22742	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41593	0.8
54.82476	0.8
69.62952	0.7
78.95901	47.1
79.18909	0.9
96.96965	4.1
98.20757	1.5
109.67708	0.7
141.80307	0.7
150.98015	0.9
152.99583	63.1
153.99934	1.3
171.00645	20.2
227.03287	4.0
245.04309	100.0
246.04625	3.1
253.21719	56.8
254.22154	3.4
256.04382	0.8
337.04706	0.8
481.25732	34.5
482.26288	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	482.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30726	0.4
55.01863	0.5
57.03447	1.8
58.03771	0.5
59.01388	2.0
61.98829	100.0
63.99265	0.5
69.76505	0.3
71.01395	2.0
71.52631	0.4
72.99335	0.5
73.02961	0.6
75.00884	0.6
76.61672	0.4
78.95882	0.6
81.03447	0.4
83.01379	1.2
85.02952	5.7
86.03307	1.3
89.02440	0.5
96.96048	1.3
96.96960	1.0
99.00857	0.6
100.90817	0.4
101.02467	0.6
108.02246	0.5
109.02969	1.7
111.00906	1.7
113.02441	0.5
123.00902	1.3
123.04523	1.5
125.02443	6.7
126.02693	0.6
129.01965	2.6
130.02254	0.5
135.04529	0.8
137.02417	1.4
146.04660	0.5
151.00377	0.7
151.04027	1.9
152.01213	0.8
153.01949	0.6
161.02431	1.0
161.04578	0.4
167.03555	0.8
168.00656	0.8
169.01456	1.4
176.86816	0.4
179.03438	0.6
193.68983	0.5
205.03453	2.1
206.03964	0.8
213.25726	0.4
289.07135	0.9
296.72815	0.4
321.11365	0.9
350.18869	0.5
482.17569	0.7
482.23798	0.6
483.18918	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30071	0.5
50.30320	0.4
56.22974	0.5
56.33548	0.4
57.03447	0.6
58.35208	0.6
59.01370	1.8
61.98821	2.1
67.01888	0.8
69.03440	0.7
69.25575	0.5
71.01381	4.2
71.51287	0.6
71.51736	0.8
73.02935	1.0
78.95927	0.8
79.01843	0.8
83.01398	1.2
85.02942	3.3
87.00871	0.8
89.02467	0.7
91.07714	0.5
93.03461	0.9
95.01388	1.7
97.02977	0.7
99.00886	0.8
101.02440	2.5
107.01391	3.8
109.02953	1.2
109.79866	0.6
111.00882	3.6
113.02445	2.9
121.02922	0.8
123.00885	10.6
123.08228	0.6
124.01671	1.2
125.02446	24.0
126.02834	0.6
127.00393	1.2
128.03572	0.6
136.98824	2.3
137.02435	4.3
138.03136	0.6
139.00371	5.6
139.03947	0.7
140.01149	4.3
141.01936	1.4
143.04655	0.6
149.02449	1.1
150.03221	1.1
151.00374	8.3
151.04001	0.9
151.07565	0.8
152.99550	1.1
153.01953	0.7
161.02428	0.6
164.01176	1.1
165.01891	4.2
166.02635	0.6
167.03477	2.1
167.10779	1.5
168.00647	6.1
169.01421	26.3
170.01837	0.7
175.07680	1.5
179.03484	0.9
183.13821	1.5
203.07088	0.8
209.00734	0.5
211.02444	0.9
211.13470	0.6
229.08798	0.8
233.08118	0.9
246.08936	0.7
247.09669	0.7
259.05975	0.6
260.40665	0.5
261.07675	0.9
289.07117	0.6
306.07104	0.5
313.05643	100.0
314.05975	7.1
463.17514	1.8
481.18069	4.9
482.19052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.223
Annotation	Withaphysalin M
Peak:m/z	Relative Intensity
57.03450	1.3
59.01386	1.3
61.98809	2.6
69.03447	1.1
71.01379	1.3
78.95901	2.6
81.03447	1.3
83.01387	2.0
84.68414	1.0
86.28803	1.2
89.02462	1.1
93.03471	2.0
95.01403	1.4
95.05050	1.5
97.02954	4.5
99.04550	1.1
109.02951	11.7
121.02953	5.6
122.03756	9.3
123.04543	8.7
124.01680	4.9
125.02438	5.9
135.04535	2.3
137.02441	41.1
138.03247	1.9
139.04008	1.6
146.03728	1.9
149.02467	4.1
149.09698	1.2
150.03275	3.2
151.04015	4.7
152.99617	1.7
154.02731	2.4
159.04492	2.6
161.02461	1.8
161.06096	3.2
164.01169	5.7
165.01924	51.9
167.03473	4.5
173.06110	2.2
174.03156	1.3
175.04060	1.4
175.07635	1.4
177.05687	1.6
179.03468	7.8
186.07014	1.2
187.04013	2.2
188.04790	1.3
189.05661	1.7
201.05528	1.7
201.73491	1.0
202.06371	2.7
203.07126	9.4
205.05074	5.8
215.07265	1.1
229.08752	1.2
231.02972	1.4
233.08218	3.9
241.89763	1.1
244.07240	1.4
247.09734	2.6
261.07654	3.1
288.06476	3.6
317.17493	1.2
329.17453	1.9
356.52283	1.1
371.18585	1.4
384.12219	1.4
393.20898	1.4
437.23233	8.8
463.17804	4.6
481.22482	100.0
482.22986	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60255	0.7
51.08877	0.6
55.01886	1.6
56.96854	0.6
57.03448	6.8
58.79467	0.7
59.01361	2.0
61.98578	0.7
61.98834	7.8
62.53876	0.6
67.01886	0.8
69.03444	1.3
69.22786	0.7
71.01389	6.8
72.01739	0.8
72.99285	1.1
73.02939	1.9
73.55936	0.7
81.03440	2.0
83.01407	4.1
84.02171	1.7
85.02952	35.2
93.03452	0.7
94.98067	1.0
95.01380	2.7
98.20703	1.1
99.00881	1.5
101.02432	3.2
106.22021	0.7
108.02176	70.9
109.02959	49.1
109.03604	0.7
110.03280	0.9
111.00878	8.7
111.18572	0.7
113.02467	1.6
121.02917	0.8
122.86973	0.8
123.00849	2.4
123.04561	0.8
125.02434	3.1
129.01947	18.6
133.02959	1.8
134.03711	2.0
135.00980	0.8
135.04504	1.5
135.32079	0.7
137.02399	1.3
139.11324	2.0
151.03981	1.4
152.01154	71.6
153.01950	19.7
161.02449	0.9
161.04573	2.4
161.34648	0.7
162.80228	0.6
163.03961	1.7
165.01932	1.3
177.01976	1.0
178.02716	1.4
183.10278	2.0
189.05641	0.9
205.03510	11.6
223.04547	5.2
277.47250	0.7
315.07187	2.8
481.17142	100.0
482.17395	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18365	0.6
55.18100	0.5
57.03436	0.6
59.01371	0.9
61.98829	0.7
69.03454	3.6
71.01372	0.9
71.04976	0.5
71.51156	0.7
78.95895	1.0
79.01894	0.7
79.11600	0.5
79.31416	0.6
81.03455	2.3
83.01391	3.7
93.03431	0.6
95.01397	2.2
97.02935	4.1
99.04513	1.0
107.01430	1.3
107.03009	0.6
108.02226	0.6
109.02946	1.9
121.02977	1.0
123.00893	8.5
123.04536	0.8
124.01669	21.3
125.02453	62.9
126.02785	2.1
129.83609	0.5
137.02448	15.3
146.03728	0.7
149.02454	0.8
149.99590	38.2
151.00296	2.5
151.03990	1.3
159.04478	1.1
164.01120	1.2
165.01942	6.8
166.99826	0.7
167.03503	7.3
167.10724	1.3
168.00647	63.8
169.01366	4.7
173.06070	1.5
174.03209	0.6
174.06871	1.2
175.07657	2.1
177.01903	0.7
179.03581	0.8
187.07594	0.8
200.08298	0.6
203.07123	1.2
215.07092	1.3
217.08629	1.1
218.09491	0.5
218.33511	0.6
233.08147	0.7
239.07126	0.7
246.08855	0.8
261.07602	0.7
287.07855	0.9
313.05618	1.4
331.06680	1.9
331.76392	0.5
337.10852	0.7
359.41394	0.5
365.10217	0.8
366.11359	0.9
384.11877	1.2
457.78015	0.5
463.16400	2.3
477.04703	0.7
481.17133	100.0
482.17471	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60255	0.7
51.08877	0.6
55.01886	1.6
56.96854	0.6
57.03448	6.8
58.79467	0.7
59.01361	2.0
61.98578	0.7
61.98834	7.8
62.53876	0.6
67.01886	0.8
69.03444	1.3
69.22786	0.7
71.01389	6.8
72.01739	0.8
72.99285	1.1
73.02939	1.9
73.55936	0.7
81.03440	2.0
83.01407	4.1
84.02171	1.7
85.02952	35.2
93.03452	0.7
94.98067	1.0
95.01380	2.7
98.20703	1.1
99.00881	1.5
101.02432	3.2
106.22021	0.7
108.02176	70.9
109.02959	49.1
109.03604	0.7
110.03280	0.9
111.00878	8.7
111.18572	0.7
113.02467	1.6
121.02917	0.8
122.86973	0.8
123.00849	2.4
123.04561	0.8
125.02434	3.1
129.01947	18.6
133.02959	1.8
134.03711	2.0
135.00980	0.8
135.04504	1.5
135.32079	0.7
137.02399	1.3
139.11324	2.0
151.03981	1.4
152.01154	71.6
153.01950	19.7
161.02449	0.9
161.04573	2.4
161.34648	0.7
162.80228	0.6
163.03961	1.7
165.01932	1.3
177.01976	1.0
178.02716	1.4
183.10278	2.0
189.05641	0.9
205.03510	11.6
223.04547	5.2
277.47250	0.7
315.07187	2.8
481.17142	100.0
482.17395	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	481.1349
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
53.45783	10.8
55.01871	3.6
57.03440	3.9
59.01396	4.1
61.98822	5.7
62.95875	2.4
65.00301	2.7
67.49883	2.4
68.99779	3.2
69.03452	5.7
69.31493	5.8
69.31911	21.6
71.01380	20.4
73.02934	6.9
79.01880	2.8
79.61817	3.3
81.03439	4.7
83.01384	10.6
85.02946	17.2
91.01894	5.6
95.01383	9.4
97.02946	6.3
101.02439	8.3
107.01400	13.3
108.02171	9.9
109.02934	13.1
110.00082	6.8
111.00874	16.1
113.02438	6.9
121.02976	6.6
122.99996	5.4
123.00884	91.9
123.04500	21.8
124.01667	83.7
125.02446	80.8
127.00374	5.7
129.01945	4.1
136.98759	5.5
137.02431	13.9
137.99577	5.9
138.03226	29.4
139.00377	51.5
139.04004	26.4
140.00879	3.1
146.05632	2.9
149.99588	50.7
151.00291	10.8
151.03984	3.2
152.01147	17.2
153.01941	55.2
153.05544	8.3
153.69479	2.6
154.02716	45.9
155.03447	5.1
165.01855	5.1
166.02602	3.6
166.99863	4.2
167.03500	64.4
168.00639	93.7
168.04257	16.7
169.01292	11.2
169.05063	27.0
181.01410	4.9
182.02179	15.6
183.02963	13.1
197.04578	23.1
204.19785	3.0
205.03511	5.9
222.32088	3.0
223.04565	8.4
296.05313	4.8
297.06018	5.5
311.07736	87.3
312.07965	5.5
313.05692	8.5
326.06314	4.6
327.07117	11.1
331.06555	10.4
341.08728	52.4
463.09030	3.2
466.11530	4.3
481.09521	100.0
481.13968	70.5
482.10205	16.6
482.15048	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	481.0989
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.72113	0.6
57.03459	5.1
59.01375	6.7
61.98829	56.6
65.00323	1.6
69.03442	1.2
70.32520	2.2
70.32867	1.1
71.01385	6.9
72.99301	2.2
73.02948	0.9
81.03451	7.0
83.01389	6.8
85.02950	12.7
88.98792	4.4
89.02416	1.4
92.99802	0.9
93.03452	1.8
95.01367	2.6
95.05006	1.0
97.02944	1.6
98.20593	0.8
99.00871	1.4
99.04473	1.1
101.02441	2.5
107.01390	7.0
108.02177	1.1
109.02947	2.6
110.00080	1.9
111.00893	6.0
113.02451	3.0
119.05033	3.6
121.02961	1.1
122.06151	1.4
123.00885	6.2
123.04523	38.5
124.01666	2.8
124.04834	1.2
125.02448	71.8
126.02750	1.7
129.01961	7.2
135.04378	1.0
137.02411	3.6
139.00407	4.3
140.01155	2.7
145.02908	1.0
149.02408	2.4
150.05582	1.1
151.00375	8.2
151.04015	1.8
152.01169	1.3
152.03494	1.1
152.07120	1.0
153.01949	7.4
155.03493	1.1
161.02397	0.9
161.04474	1.9
163.02728	1.2
163.03963	4.8
165.01862	1.6
166.06396	1.7
167.03502	82.3
168.00595	2.6
168.03873	3.8
169.01431	68.7
170.01750	2.4
178.05074	8.1
179.03532	1.0
179.05406	2.4
180.06767	1.1
181.05112	1.7
181.08711	1.4
190.05058	1.3
191.03433	2.5
191.05174	0.9
192.06660	1.9
193.01399	0.9
193.07413	5.6
194.07753	1.9
196.07355	1.2
205.03474	5.1
208.06172	7.4
209.04561	2.5
209.06468	2.7
211.02428	5.7
223.04599	12.0
223.08470	10.9
224.08777	5.3
238.10847	23.9
239.11186	14.2
241.03546	2.9
253.03256	1.1
268.11935	8.4
269.12207	7.0
271.04623	4.2
275.09290	2.5
289.07184	0.9
301.20172	1.5
303.08722	18.1
304.09222	1.8
313.05652	52.5
314.06049	4.5
318.11053	11.0
319.08026	3.8
319.11801	3.3
319.21249	1.4
439.08768	21.6
440.08984	2.5
481.09814	100.0
481.25949	8.7
482.10120	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	481.099
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.21989	0.7
55.01865	1.1
57.03445	4.2
59.01380	6.5
61.98832	9.1
65.00340	0.7
65.92872	0.7
68.99791	0.9
69.03445	0.7
71.01373	6.9
71.52097	0.8
72.99310	2.0
73.02935	1.1
75.00870	1.9
81.03455	1.0
83.01385	2.6
85.02946	23.0
87.00864	2.0
89.02425	1.3
93.03445	1.3
95.01402	2.0
96.96001	0.9
97.02946	1.2
99.00883	1.3
101.02415	4.5
107.01394	8.8
108.02171	37.9
109.02962	16.0
111.00877	10.6
113.02415	2.6
120.01218	2.1
121.02921	1.6
123.00886	6.2
123.04503	3.5
124.01665	4.4
125.02448	10.1
127.00381	1.1
129.01939	9.4
133.02975	0.9
135.04491	1.1
136.98769	1.9
137.02429	2.5
139.00360	4.9
139.04004	10.6
140.01132	2.3
140.04202	0.9
142.10382	0.7
143.04955	1.1
149.02383	0.8
150.03160	0.7
151.00356	2.5
151.04015	3.4
151.57594	0.8
152.01147	43.1
153.01950	10.9
153.05559	2.0
155.03456	0.8
159.04494	0.8
161.02417	1.2
161.04523	1.5
163.04001	1.4
165.01926	1.7
165.05469	1.4
166.99791	1.4
167.03452	2.0
167.07401	0.7
168.00633	9.7
169.01407	9.0
169.04979	1.4
173.05946	0.7
175.00313	0.7
179.03394	0.9
181.01587	0.7
181.05013	0.7
182.02121	1.3
183.02966	28.0
184.03311	1.8
192.97630	0.7
193.01373	4.7
193.98589	1.8
201.11293	1.5
205.03519	10.0
209.11813	2.0
211.02287	1.0
215.07100	1.7
223.02518	1.2
223.04567	16.2
224.04965	0.9
225.04004	2.1
253.09241	1.4
255.05147	0.8
289.07272	1.0
297.06174	2.1
301.03534	1.0
312.04861	0.9
313.05527	2.9
315.07135	7.4
319.04416	1.4
327.07211	8.2
422.08337	1.3
437.10794	14.1
438.10818	1.2
449.06952	1.4
481.09766	100.0
481.26242	6.7
482.10013	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	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39159	0.4
57.03447	1.0
59.01372	0.9
60.25566	0.5
61.98827	100.0
64.72344	0.4
69.16636	4.3
83.01383	0.5
85.02952	3.8
98.19852	0.9
101.02414	0.7
111.00906	1.3
125.02470	1.8
127.11158	0.4
129.01959	2.4
133.03032	0.4
137.02481	0.5
144.46875	0.4
148.66669	0.4
154.01434	0.5
161.02386	0.4
162.83144	0.4
170.36421	0.4
205.03513	1.4
223.04561	2.2
356.45517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0987
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.03470	1.9
57.47680	1.2
59.01368	3.7
61.98819	2.2
69.03462	1.9
69.29323	9.2
71.01385	6.7
83.01383	2.6
85.02948	6.9
86.38628	1.2
91.01897	2.4
93.92959	1.5
95.01389	3.9
97.02930	2.0
101.02450	3.5
107.01388	4.6
108.02179	4.1
109.02956	3.2
110.00091	2.3
111.00877	5.8
113.02459	2.9
121.02972	2.2
123.00883	27.8
123.04540	8.6
124.01688	31.9
125.02453	43.0
127.00376	1.7
129.01932	3.2
137.02458	6.1
137.99553	2.2
138.03267	6.5
139.00380	10.4
139.04002	6.4
147.89233	1.2
149.99579	34.0
151.00348	6.1
152.01138	5.8
153.01958	18.0
154.02710	10.9
155.03461	1.7
165.37318	1.3
166.02713	1.4
167.03496	26.3
168.00642	64.5
168.04323	2.4
169.01431	9.9
169.05064	7.4
182.02216	5.2
183.02957	4.4
197.04555	6.4
205.03511	2.6
223.04559	4.3
232.85136	1.5
269.11978	1.4
284.45242	1.4
296.05453	1.7
297.05917	1.8
311.07709	25.0
312.08456	1.9
313.05661	3.8
327.07202	3.7
331.06650	4.4
341.08685	13.4
348.60663	1.5
463.08774	2.7
471.64627	1.3
481.09088	100.0
482.09439	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	480.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49252	0.6
56.92714	0.9
57.03442	1.1
59.01374	1.1
61.98826	26.0
63.99238	1.3
69.86186	1.1
69.86600	2.3
71.01400	1.3
81.03454	2.7
83.01394	2.7
85.02958	1.4
87.19244	0.7
101.02457	1.4
107.01386	2.6
108.02285	0.8
109.02951	1.2
118.68118	0.7
123.00859	2.0
123.04529	14.1
125.02444	25.0
129.01930	1.0
136.04005	1.0
137.02443	2.2
139.00371	1.2
145.35567	0.7
150.05602	2.7
151.00301	2.3
151.03952	1.3
152.07210	4.6
153.01932	4.4
159.03258	0.9
160.04034	5.8
162.01909	0.9
163.02747	2.7
163.03954	0.8
165.01935	0.8
165.05539	2.1
167.03490	33.6
168.00645	1.0
168.04213	1.1
169.01436	22.1
169.05171	0.7
177.02005	0.9
177.04337	2.2
178.05090	30.8
179.05486	1.3
180.06651	2.2
181.05083	5.0
190.05086	5.0
191.03578	1.1
192.06693	7.5
193.07445	20.0
196.07362	2.7
206.04437	1.1
208.06142	30.2
209.06490	1.5
211.02493	2.3
211.09746	3.4
211.91080	0.7
222.07533	1.1
223.04659	2.4
223.08504	46.5
224.08882	2.2
238.10844	100.0
239.11208	6.4
241.03679	0.7
253.09473	3.4
268.11893	50.4
269.12366	3.4
271.04669	1.6
313.05624	17.7
410.42075	0.8
434.49402	0.9
439.08673	5.7
481.09692	30.0
481.26028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01373	1.9
61.98829	24.8
63.99250	1.5
65.51501	0.6
69.19009	6.4
70.42128	0.5
71.01376	1.7
71.45229	0.7
78.68534	0.6
81.03450	2.7
83.01395	2.0
85.02953	2.0
87.00919	0.7
98.20667	1.1
107.01399	3.2
109.02972	0.8
111.00874	1.6
123.00868	2.0
123.04530	15.6
125.02441	26.3
132.04572	1.0
134.06110	0.7
136.04021	0.9
137.02451	1.1
139.00359	1.9
149.02431	1.1
150.05609	3.6
151.00372	3.0
151.03993	1.6
152.01183	0.7
152.07202	3.5
153.01961	5.3
160.04045	7.2
161.59950	0.6
162.01965	1.6
163.02733	2.6
163.03955	0.9
165.01979	0.9
165.05537	2.2
167.03491	37.9
168.00529	0.9
168.04236	1.2
169.01427	25.4
172.04169	0.8
177.04301	1.0
178.05089	33.1
179.03496	0.7
179.05391	1.1
180.06679	3.2
181.05077	4.1
190.05077	5.3
191.03572	1.5
192.06647	7.5
193.01424	0.9
193.07431	21.4
194.07803	0.7
196.07359	2.0
205.03508	0.9
206.04572	1.2
208.06140	28.9
209.06451	1.9
211.02501	2.3
211.09805	3.7
222.07651	1.6
223.04599	3.1
223.08490	45.9
224.08835	2.4
238.10835	100.0
239.11177	7.6
253.09512	3.8
268.11884	48.3
269.12115	3.0
269.45352	0.7
271.04691	1.0
289.07047	0.6
313.05634	19.8
313.09332	1.0
378.33987	0.7
439.08752	9.4
480.22180	1.2
481.09747	41.1
481.25916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72971	0.3
57.03446	1.3
59.01379	0.7
61.86084	0.3
61.98828	100.0
67.31248	0.2
69.38050	2.1
71.01384	0.7
75.00875	0.4
78.95899	0.5
83.01406	0.8
84.02168	0.4
85.02950	6.6
89.02425	0.3
101.02426	0.3
107.28059	0.3
109.03012	0.5
111.00844	1.7
123.04522	0.7
125.02453	2.2
129.01924	3.5
134.03743	0.3
135.04514	0.4
137.02457	0.7
150.03256	0.4
151.03981	0.4
153.05588	0.6
161.02426	0.5
161.04590	0.6
163.19096	0.2
165.01892	0.3
187.02446	0.3
205.03523	2.3
214.29771	0.2
223.04581	0.7
287.25549	0.3
289.07333	0.8
418.02292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.4
58.00607	3.9
58.70909	2.2
59.01385	13.4
61.98829	14.5
69.43978	17.4
71.01396	3.2
72.44594	2.5
79.64922	2.3
83.05031	4.7
85.02967	3.7
85.27390	2.6
88.98824	5.0
89.02431	8.9
95.45839	2.5
96.96003	5.4
98.20618	5.3
107.12498	2.7
110.06073	3.5
111.00891	2.7
123.08152	10.6
146.06088	2.4
171.11781	7.0
176.07309	2.7
183.06575	6.2
183.94157	2.7
187.06427	4.5
189.12871	3.2
201.12846	4.7
204.06715	16.6
205.07231	5.2
216.06522	3.2
237.06424	5.0
237.15030	14.3
251.57848	2.8
264.93921	2.8
269.13019	3.4
281.13937	100.0
282.14285	6.8
282.53708	2.9
296.66461	2.5
315.13480	11.7
327.13400	26.7
345.14566	34.3
346.14935	3.5
479.16843	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	479.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79494	1.1
57.03452	1.3
57.60371	1.1
59.01374	3.3
61.98819	2.1
62.65316	1.1
64.16575	0.9
70.98978	2.8
71.01398	2.5
72.44493	1.0
78.95899	17.7
79.11395	0.9
83.05035	1.3
93.72322	1.0
96.96041	1.2
99.08167	1.3
110.98528	13.0
113.09734	2.0
125.09710	1.1
129.09207	3.2
135.49008	1.0
139.11261	2.9
152.99516	1.3
165.12816	1.3
167.01097	8.4
169.12294	2.1
171.10258	9.5
181.12341	2.1
183.13872	1.4
184.78682	1.0
185.02223	8.0
193.12329	3.6
197.11803	7.4
199.13382	3.8
201.11310	1.6
207.10275	1.2
209.11827	1.0
211.13393	12.8
212.13770	1.3
222.45256	1.2
225.11301	2.0
249.22209	1.9
293.21265	19.6
294.21545	2.4
311.22253	100.0
312.22650	8.3
397.44815	1.3
479.24155	43.8
480.24585	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	480.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98322	0.4
55.01881	0.7
57.03449	3.6
59.01373	1.7
61.98829	100.0
71.01376	2.4
71.52473	0.5
72.99319	0.6
73.02942	0.8
75.00877	0.7
83.01390	1.5
84.02194	0.4
85.02950	12.3
87.00886	0.5
89.02450	0.7
93.03449	0.4
97.02975	0.6
98.00062	0.4
99.00898	0.9
101.02438	1.9
108.02186	0.8
109.02989	1.6
111.00906	3.2
113.02488	0.9
123.00933	0.4
123.04511	1.7
124.01591	0.4
125.02443	9.2
129.01942	7.2
129.02837	0.5
130.02286	0.4
133.02930	0.6
134.69307	0.4
136.79732	0.4
137.02417	2.3
149.02469	0.5
149.06102	0.6
151.04002	2.4
152.01147	0.9
153.01962	0.5
161.02455	1.4
161.04562	1.5
163.00394	0.4
164.01268	0.5
165.01909	0.9
167.03485	0.4
175.03987	0.6
177.01894	0.5
179.03392	0.7
187.02348	0.5
203.03421	0.5
205.03464	4.5
215.38989	0.3
223.04591	3.0
223.09801	0.6
229.08769	1.7
230.08936	1.7
243.02983	0.7
245.08160	0.5
255.06508	0.6
269.24036	0.4
274.08008	0.5
289.07285	1.3
340.08405	0.4
349.18863	0.5
459.78354	0.4
480.32742	1.1
481.23157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42442	0.7
56.15344	0.6
57.03453	2.3
59.01379	14.1
61.98829	100.0
71.01387	2.3
71.51550	0.8
71.96023	0.5
75.18781	0.6
83.01404	1.7
84.02190	0.8
85.02948	10.0
88.98843	0.6
93.74970	0.6
96.73936	0.5
101.02472	1.4
106.86457	0.6
109.02949	1.0
110.55193	0.6
111.00891	2.9
113.02464	0.8
114.28167	0.6
123.04536	1.4
125.02438	6.1
129.01945	4.4
129.02690	0.5
131.69740	0.6
137.02464	2.2
143.03505	0.7
151.00391	1.0
151.04031	1.3
161.02483	1.3
161.04561	1.5
181.14204	0.7
190.03412	0.6
205.03468	3.5
216.77812	0.7
223.04588	2.5
289.07193	0.7
331.17697	1.8
373.18835	1.1
464.14972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83468	0.2
56.18452	0.2
57.40368	0.2
61.02742	0.2
61.98829	100.0
69.43369	1.9
76.74814	0.2
479.21246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.6
57.03237	1.1
57.03452	11.1
59.01381	11.6
61.98831	96.9
68.99810	1.1
69.29276	8.0
70.33000	1.0
71.01383	11.7
72.99315	2.5
73.02943	3.0
74.58693	1.0
75.00881	4.5
83.01390	6.8
83.45391	1.0
84.02157	1.7
85.02954	59.9
87.00874	7.2
89.02444	1.9
95.01405	1.0
99.00921	1.1
101.02435	11.5
103.03962	1.2
108.02145	1.9
109.02950	2.1
111.00880	32.8
112.01208	1.0
113.02416	2.0
117.59167	1.0
118.93016	1.0
119.04968	1.1
121.02982	1.7
123.04530	2.2
125.02458	8.6
129.01945	63.1
130.02280	2.7
134.06099	3.4
137.02454	1.9
138.05559	2.1
143.03484	1.1
147.02942	1.6
151.00375	2.2
151.03986	1.5
153.05560	1.9
156.94191	0.9
161.02423	1.1
161.04564	3.0
166.04118	1.0
166.06332	6.2
171.04671	1.3
178.05075	2.8
178.99849	1.2
179.05667	1.2
181.08774	6.1
186.06938	1.3
187.02534	2.2
201.09229	1.0
205.03519	36.7
205.05434	1.8
214.06316	12.6
223.04585	59.0
224.04912	1.8
225.11351	1.3
227.07118	3.7
229.08687	100.0
230.09093	8.1
240.04268	2.9
246.05338	8.4
255.06615	30.7
255.19492	1.2
256.06915	1.9
269.08286	1.1
272.03082	1.5
273.07687	21.3
274.08017	1.8
299.11255	1.4
300.02792	2.3
301.03168	2.5
301.82108	1.1
302.03284	4.4
315.05081	2.2
316.05350	3.2
317.05670	5.7
347.20770	1.4
391.17746	1.4
443.09763	2.8
461.10883	1.6
479.11691	11.6
479.21475	1.9
479.26132	1.4
479.32343	4.3
480.12024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58221	0.5
56.35869	0.4
57.03447	2.5
59.01379	11.0
61.98831	18.6
69.03466	0.8
71.01381	2.5
71.52071	0.6
73.02950	0.5
75.00857	0.9
81.03460	2.1
83.01385	4.3
85.02944	5.0
87.00869	0.5
93.03455	1.7
95.01383	1.1
95.05025	1.8
97.02960	6.1
99.00903	0.6
101.02453	1.7
104.16157	0.5
108.02179	1.7
109.02956	15.6
111.00868	2.4
111.04444	0.6
115.15683	0.5
116.05062	4.6
119.04997	1.0
120.78690	0.5
121.02934	3.2
122.03736	1.5
123.04527	13.1
125.02451	14.9
126.02751	0.6
129.01939	10.4
135.04495	1.7
137.02441	9.7
139.04030	3.5
145.02954	0.6
146.03781	1.0
147.04422	0.7
149.02434	5.4
149.06099	0.8
150.03192	0.6
151.04019	7.7
152.01123	1.6
156.08215	1.3
159.04517	2.5
160.05244	1.1
161.02414	2.3
161.04613	1.4
161.06081	5.3
162.03197	2.0
163.04031	1.9
164.01161	2.7
165.01883	4.6
165.05553	1.0
167.03465	4.1
168.08167	2.4
173.06102	0.6
173.88255	0.6
175.03969	2.0
175.07602	1.6
177.01952	1.4
177.05580	1.0
179.03479	4.7
185.06003	0.9
187.04030	3.5
188.04753	2.8
189.05473	0.5
199.07642	0.8
201.05484	0.6
202.06322	1.7
203.07162	11.5
205.03442	2.3
205.05066	8.7
206.05463	0.7
214.06335	2.4
215.07106	0.9
217.08643	0.7
221.08148	1.9
223.04568	3.6
227.07135	2.1
229.05089	1.0
229.08691	10.8
231.02951	0.8
231.08955	0.5
240.04439	0.7
245.08170	14.4
245.11923	0.6
246.05347	1.1
246.08517	1.6
247.06149	1.8
255.06624	2.4
271.06082	0.9
273.07709	2.0
289.07175	100.0
290.07526	10.7
325.06979	0.6
331.08301	5.9
343.08444	0.8
361.09293	6.2
362.09705	0.7
418.25180	1.2
442.13086	0.8
478.14996	5.3
479.15414	2.3
479.22394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48139	0.5
57.03450	0.5
59.01380	100.0
60.01725	1.0
61.98835	6.7
69.36878	4.1
70.19153	0.4
71.01384	7.2
72.99311	0.9
73.02955	1.8
75.00880	0.7
80.09924	0.5
83.01385	1.0
85.02937	3.5
87.00874	0.5
87.76207	0.5
89.02444	3.9
95.01390	0.7
96.50345	0.4
96.96541	0.4
99.00918	1.4
101.02444	5.0
108.02209	0.6
109.02988	1.3
113.02453	2.6
115.99668	0.5
119.03508	0.9
125.02460	5.1
133.02998	0.7
135.04544	0.9
137.02440	0.6
145.02979	0.5
150.03259	0.6
152.01253	0.6
153.01923	0.5
161.04565	6.0
163.04129	0.5
163.06129	0.8
169.01440	5.8
175.02480	1.0
179.10796	0.7
193.05098	0.5
197.11835	6.9
211.02542	0.9
241.10834	0.7
271.02155	2.9
271.04880	1.8
289.07193	0.9
299.02039	2.5
300.02719	2.2
309.55270	0.5
313.05832	1.7
315.04944	3.8
331.07028	0.6
359.12585	0.7
417.25012	9.6
418.25580	1.5
441.08560	0.8
462.08340	0.8
477.10638	7.1
477.20081	6.5
478.10782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2872
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
57.03447	2.2
59.01390	4.6
62.09430	1.0
65.03962	1.1
69.03451	1.0
74.31440	1.1
81.03487	1.2
83.05036	9.6
85.06586	1.1
86.07462	1.1
93.03469	1.3
95.05013	2.5
97.06612	3.9
97.79186	1.1
100.20464	1.0
106.04195	1.2
107.08657	1.1
108.81851	0.9
109.06594	3.6
111.04557	2.2
111.08152	8.9
115.96890	1.0
119.05080	1.8
121.06634	1.1
123.08209	1.9
125.09731	8.7
127.11271	1.7
133.06578	1.8
133.10243	1.1
135.08212	2.3
137.09715	3.5
161.02406	1.0
163.11183	1.0
171.10269	100.0
172.10635	4.4
185.11836	2.0
187.14999	2.2
193.12286	1.2
203.14417	2.5
205.15933	5.2
209.11807	10.4
211.13388	13.2
213.12953	1.7
215.14404	3.8
221.15529	4.2
231.13943	9.3
233.15475	14.2
234.16129	1.3
235.13440	1.3
235.86525	1.0
239.16454	1.6
247.17027	1.1
249.14944	54.5
250.15388	3.6
251.16476	1.3
265.18204	1.7
271.17059	1.4
283.19098	1.5
305.17654	3.6
308.16385	1.4
323.18744	1.4
331.26346	1.9
339.23230	1.2
341.24921	3.5
342.25381	1.3
350.22479	1.0
357.24609	1.9
359.25931	2.4
364.67108	1.1
367.22687	3.4
375.25519	4.0
385.23859	15.8
386.24127	2.0
403.24887	18.2
404.25449	1.7
441.26608	3.6
449.29324	2.4
459.27505	39.2
460.27655	5.4
477.28699	45.0
478.29114	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	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73459	1.1
55.01864	3.0
57.03440	3.2
59.01379	100.0
61.98814	4.0
69.43501	4.7
69.43929	4.5
71.01383	36.0
73.02944	7.8
83.01363	4.3
85.02944	12.9
87.00900	1.4
88.98808	5.9
89.02436	22.0
89.83623	1.3
95.01395	2.0
99.00877	4.1
101.02447	28.3
113.02436	15.6
119.03502	12.3
131.03484	1.2
135.71260	1.3
143.03459	5.6
159.02969	3.5
161.04552	23.0
179.05611	7.1
187.76140	1.3
242.29402	1.3
255.19606	2.1
417.24918	47.9
418.25165	5.2
477.23294	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
57.03445	0.9
59.01378	100.0
60.01709	1.4
61.98832	9.9
62.13643	0.8
68.94520	0.7
71.01382	26.6
71.27805	1.0
71.28148	1.6
71.84566	1.0
72.77930	0.7
73.02953	5.9
75.00835	0.8
83.01392	3.7
85.02951	11.0
86.50380	1.0
87.00850	1.4
87.04548	0.9
88.98820	1.1
89.02442	16.7
91.26451	0.7
93.03443	1.5
93.22371	0.9
95.01385	1.5
99.00158	0.7
99.00856	2.1
101.02443	25.3
106.07769	0.9
111.04481	1.0
113.02448	11.9
119.03507	8.4
125.02396	1.0
126.04068	0.8
127.03943	0.9
128.04398	1.2
137.02412	2.9
143.03513	2.5
153.30296	0.9
159.02954	2.3
161.04549	18.8
179.05600	6.2
187.15120	0.8
211.60107	0.8
239.99747	0.8
255.19679	2.5
301.09052	0.9
417.24893	34.2
418.25302	3.7
439.44604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98831	29.2
69.37086	4.5
69.37514	7.7
71.01385	36.4
72.99326	3.6
73.02954	5.1
74.33292	1.5
81.21358	1.5
83.01405	3.9
85.02949	8.3
87.00871	2.4
89.02438	40.1
92.51519	1.5
92.64175	1.7
95.01443	1.5
98.19910	2.5
98.78797	1.5
99.00889	2.9
101.02442	25.0
105.57473	1.4
109.02970	2.1
110.05061	1.5
111.04490	1.4
113.02442	19.1
119.03502	19.8
131.03435	2.0
135.35188	1.5
137.02550	1.6
143.03487	5.5
149.04541	3.3
153.01947	2.3
159.02980	3.2
161.04558	19.3
175.03813	1.6
178.99817	4.5
179.05608	16.0
180.00636	1.8
183.08131	4.3
183.13951	1.5
255.19641	6.2
308.25058	1.7
313.03482	3.9
331.04593	2.7
331.24969	3.6
417.19812	3.0
417.24976	38.3
418.25214	5.1
440.39081	1.6
477.17227	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09255	0.6
57.03460	1.6
59.01378	100.0
59.18798	0.5
60.01709	1.2
61.98829	38.2
69.23446	1.8
69.23857	3.9
70.16476	0.6
71.01378	9.1
72.99318	1.0
73.02956	2.8
75.00877	0.7
81.03448	0.8
83.01396	2.6
85.02944	5.4
87.00900	0.9
88.98815	1.4
89.02435	2.8
92.31776	0.5
93.03418	0.7
95.01396	1.1
95.05003	0.9
97.02988	1.2
98.20697	1.3
99.00884	1.6
101.02438	7.3
108.02176	0.7
109.02939	6.3
111.04525	1.0
113.02445	4.6
116.05075	1.0
119.03519	1.0
119.05039	0.8
121.02975	1.4
123.04528	5.4
124.74449	0.6
125.02452	6.5
135.00941	1.0
135.04515	2.4
137.02438	4.8
139.04015	1.3
144.81792	0.6
145.02985	1.2
149.02478	1.9
151.04065	2.2
155.03587	0.7
159.03056	1.3
159.04558	0.9
161.02475	1.3
161.04590	8.5
161.06090	2.0
162.03249	0.8
163.00320	2.9
163.03992	1.3
164.01149	1.0
165.01942	1.0
167.03586	1.2
175.03999	1.1
179.03535	1.7
185.06032	0.7
187.04013	1.4
188.04767	1.1
196.52254	0.6
203.07150	3.2
205.05125	2.4
215.07126	0.9
216.88217	0.5
221.08287	0.7
245.08115	4.6
256.43826	0.6
271.06192	1.7
273.06799	0.8
281.04584	0.7
289.07169	33.4
290.07745	0.7
291.07703	0.6
300.02792	1.7
301.04114	0.7
301.07077	3.2
304.43610	0.6
315.05112	2.2
315.08585	0.8
315.13416	1.6
331.08209	1.4
361.09500	2.1
417.24887	21.5
418.25372	2.5
445.11591	2.6
461.24017	1.1
477.23175	1.1
478.15228	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31366	0.6
55.01870	1.6
57.03446	4.1
57.39543	0.5
58.00600	0.8
59.01381	18.5
61.98830	16.1
67.01851	0.6
68.81988	0.5
68.99791	0.7
69.03456	0.8
69.48732	2.9
69.49139	1.1
71.01380	18.4
72.99314	3.5
73.02940	3.6
74.02458	0.5
74.11761	0.4
74.41869	0.5
74.87776	0.4
75.00874	21.7
79.79172	0.4
83.01389	3.0
85.02951	25.1
87.00877	6.6
89.02451	3.0
90.20329	0.5
95.01382	3.3
97.02959	1.1
99.00873	8.3
101.02441	9.3
103.00380	0.8
104.56436	0.5
106.63239	0.5
109.02993	1.0
111.00863	1.0
113.02448	24.6
114.81232	0.6
115.00371	1.8
117.01932	2.0
119.03526	1.1
125.02438	3.3
127.04044	0.5
129.01935	1.2
131.03523	0.7
157.01433	0.8
159.03020	0.8
161.04575	3.1
167.56929	0.5
173.04567	0.5
175.02454	3.2
177.82306	0.6
191.03316	0.8
197.11815	1.4
209.11873	0.5
289.07117	3.2
299.98676	0.5
301.16483	1.6
359.17029	1.0
387.88068	0.5
414.95737	0.5
415.19958	0.7
417.17636	1.0
417.24860	4.0
477.19751	100.0
478.20087	10.6
478.26682	0.4
485.42191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87524	1.2
59.01378	3.0
61.98800	1.4
66.40486	0.9
69.03443	1.5
71.50252	1.3
71.50612	1.8
78.95895	15.1
83.05019	1.3
95.05040	1.8
97.06577	1.2
100.73326	1.1
109.06581	1.8
110.98527	17.2
111.08163	10.0
122.74536	1.2
125.09711	1.5
128.09669	1.3
149.09590	1.2
152.99539	1.5
167.01158	6.7
167.10793	4.8
177.12865	2.1
179.10742	3.3
179.14404	1.5
185.02180	10.4
185.11966	1.8
195.13889	13.5
205.12334	4.6
207.13873	3.6
209.11725	3.1
211.13496	1.6
223.13388	19.8
247.20680	2.8
251.67981	1.4
273.18439	3.5
291.19650	100.0
292.19980	7.7
309.20514	2.0
385.23746	2.3
391.15125	7.4
403.24930	1.5
433.25864	1.5
459.27466	2.8
477.22504	3.5
477.28525	2.7
489.64166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
59.01380	16.1
61.98822	1.9
67.01904	0.7
69.03455	0.7
69.68874	3.7
71.01376	4.9
73.02972	0.7
75.79898	0.6
83.01387	0.9
85.02956	2.3
87.00871	1.5
89.02447	2.2
95.01374	0.9
97.02949	1.1
98.19985	1.2
98.55078	0.5
99.00874	0.7
101.02413	2.1
107.01391	7.3
111.00923	1.4
113.02446	2.1
115.45493	0.6
117.76921	0.6
119.05025	65.0
120.05366	3.1
123.00896	7.5
124.01683	0.8
125.02444	43.5
126.02835	0.9
133.56358	0.6
134.03693	1.3
135.04553	0.6
136.67435	0.5
137.02441	0.7
139.00331	3.2
140.01112	1.7
141.01982	1.0
146.31471	0.7
149.02512	0.9
150.03239	1.1
151.00357	5.8
161.04579	1.3
163.04007	30.8
164.04420	1.4
165.05537	1.7
168.00583	3.3
169.01418	60.4
170.01785	1.6
179.03552	1.3
193.01370	0.7
193.05052	1.9
196.85336	0.6
211.02504	1.5
241.03510	1.1
253.03435	1.3
297.17044	0.9
311.69104	0.6
313.05658	36.8
314.05954	2.6
322.01813	0.7
417.24826	1.0
433.11517	2.2
453.06723	0.6
477.10336	100.0
478.10654	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	477.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30674	0.8
59.01378	3.8
71.01382	1.6
71.50825	1.3
72.99314	3.3
74.56606	0.7
75.00870	29.1
87.00862	2.0
89.02441	5.2
117.01962	2.5
119.49300	0.9
119.69169	0.8
135.02997	100.0
135.80696	0.7
136.03342	2.1
162.66702	0.8
199.47487	0.8
232.03363	0.7
236.24281	0.7
341.10965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19377	1.2
59.01379	86.5
60.01708	1.3
65.35635	1.1
68.40667	1.0
71.01379	19.3
73.02946	5.2
84.58058	1.2
85.02946	3.5
87.00857	1.5
88.98799	2.6
89.02454	10.0
99.00857	3.0
101.02432	9.2
102.12262	1.1
113.02467	6.1
115.03959	1.1
119.03519	2.0
119.05009	4.6
121.02954	12.3
124.52918	1.3
125.02409	6.9
131.03481	1.1
133.05067	5.4
146.36891	1.1
147.13829	1.0
149.04576	1.4
153.01897	4.0
161.04562	15.3
163.03984	2.3
166.06349	81.2
167.06673	4.4
168.04251	2.5
169.01382	4.8
178.99857	1.3
181.08701	100.0
182.09085	5.8
183.06622	1.8
220.46300	1.0
230.30444	1.8
233.06631	2.7
235.08212	9.8
293.08716	2.6
313.05542	2.9
344.96274	1.0
395.85046	1.2
395.91837	1.2
417.17557	7.4
477.10208	7.4
502.30261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64760	0.4
70.89384	1.0
78.95903	35.4
96.96959	1.8
122.00113	1.0
140.01187	5.0
150.34341	0.5
152.99619	4.2
171.00668	2.4
196.03795	10.1
214.04871	2.5
261.22235	0.8
262.97131	0.4
279.23276	100.0
280.23587	8.4
356.07089	0.5
476.27802	33.3
477.28278	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.1
67.05091	0.4
71.49622	0.5
73.92292	0.4
78.95903	100.0
86.70364	0.4
86.80336	0.4
96.96967	8.6
112.20219	0.4
149.88982	0.4
152.99597	16.9
154.57536	0.5
171.00642	18.5
214.04665	0.6
279.23346	0.6
402.24213	1.6
436.99799	0.6
476.27802	57.5
477.28122	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	477.104
Annotation	Rumejaposide C
Peak:m/z	Relative Intensity
54.82552	0.5
55.01844	0.5
57.28191	0.4
59.01380	8.1
61.98830	4.2
63.16866	0.5
67.01881	0.7
68.01539	0.5
68.99802	0.5
69.03426	0.6
70.63516	1.8
71.01394	3.6
72.99303	0.6
73.02940	0.9
79.01897	1.0
81.03433	0.6
83.01377	0.7
85.02945	2.0
87.00859	0.6
88.98829	0.9
89.02452	1.1
93.03452	1.1
95.01382	1.8
95.65170	0.5
97.02930	0.8
99.00899	0.5
101.02444	2.0
104.17662	0.4
105.57936	0.5
107.00840	0.5
107.01402	6.7
110.37600	0.5
111.00873	1.2
113.02442	1.5
119.05029	67.4
120.05354	3.0
123.00888	10.1
124.01646	1.1
125.02448	51.1
126.02807	0.9
133.06552	0.6
136.98714	0.7
137.02463	0.8
139.00349	4.3
140.01106	1.9
141.01932	1.2
149.02481	0.5
151.00369	6.3
151.04068	1.0
152.00873	0.6
153.01968	0.8
161.02423	0.6
161.04601	0.9
163.04008	25.8
164.04353	0.9
167.03445	1.1
168.00656	2.8
169.01422	61.9
170.01758	2.1
178.05099	0.8
179.03506	1.0
193.07378	0.8
209.08141	1.3
211.02420	2.0
238.10777	1.9
241.03592	0.9
268.11887	1.3
313.05627	26.5
314.05832	1.8
338.76569	0.5
433.11337	9.4
434.11789	0.9
439.21475	0.7
459.09323	2.5
477.10342	100.0
478.10669	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23163	0.6
51.65310	0.6
57.41412	0.5
59.01378	100.0
60.01723	1.0
60.99305	2.1
61.98830	7.8
69.33850	4.7
71.01379	11.6
72.99328	1.6
73.02970	0.7
75.00912	0.6
81.03455	4.0
83.01388	0.9
83.05029	3.5
85.02947	2.6
87.00889	0.7
88.04043	0.6
88.98811	17.3
89.02447	16.4
93.03468	2.5
95.01394	0.6
99.00886	0.7
101.02439	6.2
109.02968	3.0
111.04523	17.5
113.02436	5.1
117.03440	0.8
119.03506	5.6
123.04568	0.8
125.02493	0.9
127.04012	29.5
128.04323	1.3
133.03029	1.3
134.03761	2.0
137.02467	4.2
143.03523	1.5
145.02971	3.7
149.02492	0.8
149.04610	0.8
155.03497	28.0
156.03831	1.0
160.01723	2.0
161.04565	2.6
175.04057	2.2
177.02013	1.7
179.05618	4.1
180.06763	3.1
181.07047	2.5
187.07663	1.0
199.02461	17.2
200.02922	0.9
217.03531	2.7
237.11452	0.6
253.18065	1.3
275.09274	1.1
313.13129	0.7
343.11957	1.3
415.23322	5.5
475.16425	4.2
475.29385	1.2
476.25262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01363	2.4
69.49077	3.1
71.01381	9.2
71.14429	0.6
72.99302	1.4
87.00869	7.6
87.04517	1.2
89.02444	2.5
111.04480	0.9
113.03570	1.0
114.01979	0.9
115.00385	0.8
127.03992	1.5
131.04623	2.7
132.02986	0.9
132.05025	0.8
133.01414	2.1
133.05066	100.0
134.05423	2.5
155.03491	1.3
173.00555	0.6
173.01990	0.6
225.98119	0.7
440.73907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95514	1.4
59.01380	13.5
60.99311	16.4
61.98829	5.2
69.39207	12.3
71.01369	6.3
73.02942	4.0
82.81197	1.5
87.00892	8.9
88.00386	3.4
88.98804	100.0
89.02440	29.3
89.99136	1.8
98.19903	2.7
100.17841	1.7
101.02429	2.8
111.04520	3.3
113.02502	2.0
123.00885	1.5
125.02455	2.9
127.03999	6.1
137.02356	1.7
150.03210	1.7
151.04041	2.3
155.03479	5.4
159.48117	1.5
161.04549	1.5
166.06389	2.4
169.01422	1.6
177.01866	3.0
181.08656	3.0
187.04237	1.6
199.02477	5.0
220.26752	1.5
225.07736	2.1
267.08701	2.0
269.08124	1.6
280.81573	1.6
313.09482	3.7
334.82907	1.7
336.98340	1.5
343.13837	3.5
355.10260	1.7
415.12292	2.8
420.89090	1.6
472.03595	1.5
475.19086	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23753	0.4
55.01864	0.4
57.03447	0.6
59.01378	100.0
60.01719	0.8
60.99303	0.5
61.98830	3.3
67.22520	0.4
69.03465	0.8
70.99026	0.6
70.99365	0.7
71.01377	9.9
72.99306	1.0
73.02953	1.8
81.03480	1.5
83.01392	1.0
83.05045	0.9
85.02950	3.9
87.00903	1.5
88.98814	4.4
89.02444	11.1
91.01894	6.8
91.02438	0.6
95.01410	1.0
96.96022	0.8
97.02978	0.6
99.00898	1.1
101.02439	7.3
103.04014	0.7
107.05048	0.7
109.02990	1.4
111.00886	0.5
111.04513	5.0
113.02454	4.0
119.03484	5.8
119.05009	0.6
121.02991	0.4
123.00922	0.8
123.04514	0.7
125.02438	4.3
127.04025	9.1
127.76146	0.4
131.03529	0.9
135.00888	7.7
137.02492	1.2
143.03549	1.1
149.04550	0.9
149.99567	0.9
150.03169	0.4
151.00352	0.6
151.04008	0.8
155.03499	8.3
160.03983	0.4
161.02449	0.4
161.04527	3.7
163.04102	0.6
163.06213	0.9
165.01942	0.5
167.03488	27.6
168.00647	1.5
168.03853	1.1
169.01427	0.7
177.01997	0.6
179.05605	2.9
179.06981	0.6
179.10820	0.5
181.05035	0.5
187.07674	1.7
199.02461	6.5
214.32349	0.4
217.03502	2.9
231.10280	0.8
244.79921	0.4
247.08392	0.4
250.38449	0.4
256.19110	0.4
275.09338	0.9
289.07413	0.5
296.59235	0.4
298.08649	0.8
307.10431	0.8
313.05850	0.7
313.10892	1.0
415.23276	6.8
419.12756	0.4
439.21661	2.3
459.22366	0.8
475.09003	0.6
475.14789	3.1
475.21872	1.6
476.24759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03461	0.7
57.29162	0.6
58.00591	2.1
58.14723	0.6
59.01377	100.0
60.01730	1.3
61.98825	6.2
69.03453	14.2
71.01379	38.0
71.50764	0.7
72.99316	3.4
73.02943	14.0
79.01887	6.4
81.03471	3.5
83.01394	2.7
83.05005	1.0
85.02946	15.8
87.00888	2.3
88.98818	2.6
89.02439	21.3
94.55832	0.7
95.01382	4.1
97.02950	12.6
99.00871	2.7
99.04531	2.1
101.02442	28.5
103.04007	16.3
103.04646	1.3
107.01386	13.3
108.02206	3.5
109.02948	3.6
111.04520	2.8
113.02461	4.8
115.04026	2.5
117.05579	1.0
119.03493	8.8
119.57495	0.6
121.02984	0.9
123.00879	4.5
123.04536	1.2
124.01702	5.2
125.02443	43.6
126.02768	1.4
127.04012	7.0
134.47798	0.6
135.00880	34.9
136.01245	0.9
137.02428	3.1
143.03520	3.3
145.05046	2.9
148.24745	0.7
149.04489	0.8
149.99600	5.9
151.00357	2.2
151.04025	0.9
152.01117	3.4
153.01921	2.4
155.03467	4.3
161.02507	0.8
161.04559	3.2
161.08215	1.9
163.06125	8.2
166.02721	1.7
167.03490	29.3
168.00632	15.9
168.03851	1.2
169.01349	3.1
179.03505	1.6
179.05620	1.2
182.04565	0.8
199.02510	3.0
217.03496	1.4
247.08119	5.3
275.09344	0.9
307.10306	3.3
313.05588	3.5
329.14212	0.7
354.95187	0.8
367.19388	0.7
373.43338	0.7
415.23642	3.7
443.11841	9.5
444.11996	1.5
475.14456	25.0
475.25247	1.2
476.14923	2.4
491.45108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
58.15475	0.3
59.01394	1.1
65.00334	0.4
69.03436	0.2
70.70383	0.3
70.70727	0.6
71.01382	0.6
80.74298	0.2
81.03448	4.2
81.03848	0.4
83.01381	2.1
85.02953	0.4
89.02452	0.3
93.68295	0.2
95.05020	0.5
96.96029	0.6
98.20602	0.3
99.00859	0.3
101.02481	0.4
103.56944	0.2
107.01398	0.3
113.02476	0.3
120.99226	0.2
121.02950	0.5
123.04524	28.8
124.04864	1.0
125.02436	5.1
126.02750	0.3
135.00893	0.9
139.04025	0.3
140.22499	0.3
149.02464	0.7
151.00357	1.4
161.04602	0.6
161.81247	0.3
163.04039	0.3
166.06360	2.0
167.03490	100.0
168.03828	3.8
179.07098	0.6
181.05072	0.3
181.08723	2.1
191.03471	0.7
209.04510	1.0
256.89209	0.2
258.24722	0.3
448.68564	0.2
462.16330	0.2
475.14246	10.0
476.14505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
59.01379	50.0
60.99314	1.3
61.98827	14.2
64.89916	1.0
65.03950	1.2
71.01376	10.2
72.99301	8.8
73.02939	3.3
81.03458	9.4
83.01437	1.5
83.05023	21.8
85.02940	7.6
87.00858	1.7
88.98824	5.4
89.02448	8.3
93.03458	5.6
95.01341	1.4
96.96006	2.9
98.19854	2.4
99.00848	2.0
101.02433	7.6
106.53007	1.1
109.02972	7.7
110.90968	1.0
111.04525	50.8
112.04797	2.0
113.02424	5.0
115.04028	6.8
119.03484	2.6
119.04996	1.3
121.02943	1.3
123.04477	1.4
123.11474	1.1
123.29786	0.9
125.02447	3.9
127.04013	100.0
128.04320	3.4
129.05556	2.9
136.05272	4.2
137.02451	7.8
137.31277	0.9
146.03618	1.1
151.03986	2.5
151.07582	3.1
153.01888	3.3
155.03499	99.9
156.03835	2.8
159.04471	2.0
161.04585	5.1
167.03442	2.4
169.01378	1.5
172.05269	3.0
173.06027	2.3
177.01909	8.0
177.16733	1.2
179.05635	1.8
179.10738	1.5
187.03954	3.2
187.07640	35.8
188.07941	2.5
191.01917	2.3
191.03471	8.0
199.02470	88.2
200.02783	2.8
201.05707	2.6
202.06314	6.3
205.05000	1.8
213.09146	5.9
215.07088	2.2
217.03516	80.1
218.03926	2.1
221.11835	1.9
231.10265	20.3
232.10406	1.4
235.09691	2.5
257.08203	2.1
268.03833	1.1
275.09253	12.4
295.15457	1.4
297.06155	5.6
313.07065	2.0
415.23273	4.7
439.21979	1.7
475.08347	2.3
475.29105	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	475.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50478	13.1
59.01385	16.9
59.38381	12.9
68.33585	11.6
71.01372	19.1
71.49789	20.0
72.99300	55.0
88.04026	20.7
89.02413	19.4
93.59345	11.9
114.01971	29.1
115.00362	42.2
131.04605	42.5
132.02994	54.9
133.01427	100.0
133.03374	16.2
174.36763	15.0
177.12733	12.7
248.32977	15.9
296.65170	14.8
329.22391	14.8
379.89642	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	473.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19209	0.7
52.02634	0.8
69.41334	3.6
69.41763	2.4
73.60329	0.9
75.24919	0.7
121.06592	10.2
133.06660	1.6
149.09717	100.0
150.10019	4.4
157.13971	0.9
163.11392	3.1
205.15991	8.0
213.16476	0.8
297.18607	7.9
298.19162	1.1
311.20184	26.0
311.23566	1.5
312.20715	2.3
323.20151	21.2
324.20694	2.4
457.25232	4.4
458.26025	0.9
473.30545	98.2
474.30923	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	474.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
61.98829	100.0
62.98526	0.3
65.24664	0.2
69.20155	2.3
71.01381	1.2
72.21271	0.2
73.02971	0.2
78.82922	0.3
78.91148	0.2
81.03470	0.3
83.05020	0.3
85.02966	0.8
87.00890	0.5
88.98822	0.3
89.02448	1.6
98.20621	0.4
99.00893	0.8
100.59460	0.2
101.02450	0.9
109.02990	0.4
111.04543	1.0
113.02438	0.6
113.69234	0.2
114.41042	0.2
119.03521	0.4
125.02525	0.3
127.04031	2.0
131.03514	0.3
138.02023	0.3
149.04582	0.9
155.03522	1.3
161.04619	0.3
164.04851	0.5
177.01947	0.4
179.05734	0.3
179.07214	0.8
187.07661	0.6
199.02472	1.5
202.06395	0.5
217.03497	0.4
231.10307	0.6
411.16693	1.5
415.16330	0.3
475.18634	0.3
489.19153	0.3
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
55.47031	1.6
55.55643	1.3
57.06827	1.7
57.80373	1.3
59.01366	4.0
60.39861	1.6
71.20432	1.3
71.50220	1.7
78.95905	78.2
84.20369	1.3
96.96994	3.9
140.01178	5.5
152.99577	11.4
154.88367	1.4
171.00612	9.0
196.03824	12.2
214.04840	2.5
277.21719	100.0
278.22116	7.8
337.21542	2.7
392.91183	1.5
457.25662	2.0
474.26199	58.0
475.26886	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	475.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38421	1.6
51.63219	1.3
52.46406	1.3
58.16085	1.1
59.01377	19.7
60.99303	14.0
61.98820	7.2
64.13223	1.3
66.47885	1.2
69.43837	8.5
71.01373	4.0
81.03450	4.4
83.01421	1.9
83.05057	1.6
84.86697	1.3
85.02930	2.8
88.98801	100.0
89.02441	3.9
93.03492	1.4
100.70953	1.4
101.02445	4.3
111.04503	8.3
119.03479	1.3
125.02484	2.3
127.04021	16.0
130.57129	1.3
137.02444	4.1
150.08937	1.2
151.00249	1.5
155.03491	13.3
160.75873	1.4
177.01895	1.6
199.02521	7.5
221.11729	1.6
255.02852	1.3
271.06100	4.3
313.15463	1.8
387.23798	1.6
415.23389	4.2
466.23248	1.5
475.29352	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	473.162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24887	0.5
58.02965	0.7
59.01373	1.5
60.23536	0.6
70.02983	7.9
71.01387	2.4
71.02499	2.7
71.49858	1.2
72.00912	3.3
75.00890	0.8
87.70526	0.6
88.04031	3.5
89.02431	1.2
95.02507	7.2
101.02438	0.7
111.02004	2.4
113.03573	33.6
114.01973	26.3
115.00380	1.1
130.99884	3.2
131.04622	100.0
132.03026	8.7
132.04968	2.4
132.06686	1.0
179.05574	0.9
214.46767	0.7
227.80215	0.6
275.33679	0.6
341.10745	2.5
345.33243	0.9
369.74164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05254	1.1
59.01381	100.0
61.98820	1.4
80.96539	1.1
86.04301	1.2
124.08208	1.2
185.11842	1.2
185.28065	1.1
194.92625	1.1
409.58603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	2alpha,3beta-Dihydroxyolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
98.19875	3.1
119.68192	1.2
329.78452	1.4
334.46265	1.3
372.90439	1.4
377.28415	3.5
393.31699	14.2
394.31711	2.2
409.34796	23.8
410.35077	2.9
427.35794	7.6
453.33405	3.6
471.34787	100.0
472.35159	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	471.3687
Annotation	oscr#38
Peak:m/z	Relative Intensity
57.03423	0.7
59.01367	1.6
60.73413	0.6
61.51961	0.6
65.31023	0.6
69.46201	0.6
69.51022	4.0
71.01368	0.8
89.88014	0.7
91.03990	0.9
106.02186	0.6
135.17039	0.7
137.83739	0.6
139.47414	0.6
333.31442	1.9
335.33173	92.6
336.33524	12.3
353.34210	2.1
379.32126	41.4
380.32541	4.8
396.89337	0.6
397.33191	100.0
398.33551	11.4
411.39722	0.7
471.36880	60.2
472.37271	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	471.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01357	2.0
59.90189	0.6
63.01932	0.5
91.04017	1.2
93.03427	0.5
94.67511	0.6
97.46468	0.6
98.19862	1.5
132.47502	0.6
195.07288	0.7
195.44395	0.6
221.45442	0.7
307.30054	0.8
333.31720	0.8
335.33170	97.5
336.33533	11.8
353.34341	1.7
367.76807	0.6
379.32162	44.7
380.32526	5.8
397.33203	100.0
398.33539	12.7
438.70746	0.6
471.36899	52.6
472.37219	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	472.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.76294	0.4
59.01375	2.5
61.98829	100.0
69.42091	2.4
69.42495	0.6
71.01403	0.8
81.03467	1.0
83.01403	0.4
85.02946	0.5
89.02430	0.5
93.03482	0.5
93.45177	0.4
108.02177	9.2
109.03088	3.0
109.75859	0.4
110.03324	0.5
111.04524	0.9
113.02456	0.8
119.05083	0.4
123.04537	1.6
125.02454	3.3
127.04021	1.8
137.02455	2.1
149.02434	0.4
149.44479	0.4
151.04050	0.6
152.01138	4.1
153.01770	2.2
154.02303	1.0
155.03540	1.6
163.04010	0.5
164.04828	0.7
167.03477	3.5
168.03897	1.2
173.11884	0.6
174.12219	0.5
179.03526	0.5
179.07172	0.6
191.03447	0.5
199.02509	0.9
201.09186	0.4
214.06384	2.4
217.03554	0.8
229.08673	19.0
245.08127	0.6
246.05380	1.7
267.15967	3.2
271.06244	0.6
273.07684	8.7
274.07999	3.0
289.07211	3.7
311.01901	0.5
311.14969	4.8
328.07111	0.4
405.75983	0.4
436.13708	0.6
471.18692	1.2
472.19131	10.1
472.25510	0.8
473.18942	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	468.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49070	0.8
57.01918	0.8
59.01384	4.9
59.78354	0.9
61.98831	100.0
71.01389	1.2
78.52697	1.0
85.02947	1.0
89.02456	1.1
93.63100	1.0
101.02409	1.0
125.02435	1.4
137.02414	2.7
150.03212	0.9
179.03572	0.9
229.02440	1.1
247.13373	2.1
289.06866	1.5
405.21082	1.4
469.25180	1.1
477.48883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1139
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
53.36188	1.0
57.03447	5.8
59.01378	4.8
61.98827	12.2
66.62851	1.0
71.01366	2.0
74.98242	0.9
81.03441	2.6
82.95442	1.1
83.01392	7.2
85.02967	1.3
87.00839	0.9
89.02447	2.3
93.03455	3.2
95.01409	2.0
95.05027	1.9
96.96031	1.3
97.02960	6.6
101.02440	2.2
106.91238	1.0
108.02110	2.2
109.02950	21.5
110.03295	1.5
111.00864	1.6
121.02959	6.6
122.03732	1.3
123.00881	3.1
123.04534	16.7
124.01649	1.7
125.02441	38.5
126.02820	1.4
135.04515	2.8
137.02435	29.3
138.03175	2.1
139.04005	5.3
145.02945	8.5
146.03745	1.3
149.02448	7.8
150.03200	1.5
151.03972	5.8
152.01128	2.2
153.05577	7.5
159.04483	5.7
160.05237	1.7
161.02528	1.9
161.06053	6.6
162.03116	1.2
163.03993	1.6
164.01128	2.8
165.01938	15.3
166.99892	1.0
167.03526	1.6
173.06093	1.0
175.03983	2.4
179.03464	5.1
182.02252	3.3
183.04413	1.2
185.06050	2.3
187.03996	4.1
188.04793	2.8
197.04541	6.7
199.07652	1.0
201.05579	2.1
202.06317	1.8
203.07112	13.1
204.07477	1.1
205.05034	5.6
221.08093	2.0
227.07127	3.6
245.08179	17.0
247.06097	1.3
253.05046	4.3
271.06125	9.4
289.07153	100.0
290.07562	8.7
301.07227	1.7
303.08780	4.7
319.08063	7.0
425.12384	1.2
433.11450	1.7
469.16266	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	469.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50861	2.1
57.03445	4.9
59.01380	71.8
61.98831	63.6
62.96160	2.1
71.01383	18.2
72.99274	4.4
73.02937	3.1
78.17299	2.2
81.03474	2.2
83.01368	4.4
83.78457	2.1
85.02933	11.9
89.02448	8.5
95.01406	3.3
99.00903	3.2
99.04546	2.1
100.01646	4.2
101.02415	11.7
108.02176	7.2
109.02935	10.7
113.02425	14.2
119.03466	4.5
121.06585	2.9
123.00906	3.4
123.04539	3.7
124.01656	2.5
125.02461	5.8
129.01923	3.1
137.02452	5.0
137.09738	31.6
139.04025	2.7
147.08141	11.9
152.01172	10.1
153.01945	5.1
161.04539	5.5
169.01451	2.5
171.08115	3.3
175.07654	3.1
179.05576	3.1
185.11795	2.6
187.11292	26.8
203.14400	43.0
204.14825	3.1
229.12372	14.1
236.52220	2.8
245.15404	5.3
247.13368	100.0
248.13725	6.5
257.15359	2.6
271.10083	4.2
271.13321	25.6
271.19131	6.7
289.07156	5.8
289.14487	7.7
400.10065	7.8
469.16339	12.3
469.25308	9.2
479.20712	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	471.1146
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01369	0.4
61.98832	0.5
63.02413	0.3
65.00321	0.5
67.01900	0.2
69.36604	1.3
71.01381	0.3
72.99326	0.2
73.02955	0.2
83.01393	0.2
87.00892	0.3
89.02448	0.2
89.03953	0.9
91.01900	0.7
99.00884	0.3
105.03471	0.2
107.01382	0.4
108.02195	0.6
109.02945	1.5
113.02454	0.2
114.65574	0.2
119.05033	2.1
121.02982	0.3
122.28376	0.2
123.04501	0.4
125.02457	1.0
133.02950	1.8
135.00890	0.7
137.02449	3.4
149.02425	0.6
150.03210	0.4
151.04083	0.5
152.01199	0.7
153.01964	0.4
163.03979	1.4
177.01924	100.0
178.02264	4.8
191.03455	0.2
219.02997	1.2
385.07178	0.3
435.12946	1.3
441.84015	0.2
445.48453	0.2
471.11121	4.3
472.12000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94753	0.6
59.01378	6.7
59.15096	0.5
60.01712	0.9
61.01805	0.8
61.98830	100.0
64.30727	0.5
65.29222	0.5
69.37569	1.3
69.37986	3.6
88.72523	0.6
127.73328	0.5
134.61887	0.5
159.02643	0.6
195.06589	1.0
201.52821	0.6
277.14276	0.6
277.23654	0.6
455.45767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59735	0.4
59.01377	1.6
61.98830	100.0
69.47451	2.9
71.01382	1.0
72.99319	1.7
78.89760	0.4
85.02948	0.7
89.02441	0.8
95.35964	0.4
96.96004	3.6
98.95641	0.5
99.00903	0.4
99.92620	1.7
101.02464	0.7
108.02219	0.5
109.02988	0.5
113.02462	0.5
115.92105	1.8
116.92902	1.0
119.05066	1.1
125.02433	2.3
126.02799	0.8
153.01898	0.6
153.05585	0.7
159.43799	0.4
163.04062	1.2
163.86362	0.4
165.01947	1.3
169.01419	1.1
170.01726	0.6
180.04335	1.0
186.62938	0.5
195.06660	1.8
208.42398	0.4
225.07797	0.8
242.95987	4.5
314.06036	0.7
325.97409	0.5
424.10022	0.5
432.16818	0.4
468.08298	1.0
468.13181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82716	0.3
59.00892	0.3
59.01379	5.0
60.01701	0.6
61.01808	0.9
61.39119	0.3
61.98827	100.0
62.59651	0.3
66.59598	0.3
71.01384	0.6
71.51876	0.6
85.02943	0.3
87.59489	0.3
108.02143	0.8
125.02457	0.9
149.26314	0.3
152.01154	0.5
153.01929	0.5
169.01421	0.9
170.01709	0.4
180.04372	0.5
180.05894	0.3
195.06595	0.6
271.72943	0.4
282.38022	0.4
432.16000	0.4
451.40222	0.4
459.25327	0.4
468.08151	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
57.03452	5.4
59.01378	38.3
61.98828	46.5
69.03426	1.0
71.01379	52.4
71.01781	2.5
71.05009	1.4
71.52077	2.0
71.52469	1.2
72.01701	1.1
72.70982	1.0
72.99289	2.6
73.02937	16.6
74.34727	1.0
80.96503	1.1
83.01389	12.2
83.94854	1.0
85.02946	37.3
86.03291	1.6
87.00862	2.3
89.02438	15.9
93.03453	1.9
95.01389	3.7
96.95988	1.7
97.02933	1.4
99.00875	13.6
101.01794	2.2
101.02444	39.1
108.02196	2.8
109.02946	3.0
111.00873	6.0
113.01714	1.8
113.02447	23.0
119.03497	4.6
123.04495	2.0
125.02448	9.0
127.31670	1.0
129.01947	2.3
131.03516	1.8
134.03612	1.0
135.04416	1.4
137.02426	4.6
143.03488	2.6
149.02489	1.1
149.04614	2.0
151.03999	1.9
159.03017	3.1
161.02434	3.5
161.04550	21.0
162.03014	1.1
163.03976	3.0
169.01294	1.3
173.00865	1.4
173.15431	4.2
175.02440	2.4
179.03427	1.1
183.13869	1.2
191.01953	3.3
191.05560	1.4
225.40250	1.1
289.07260	1.2
335.20721	50.1
336.21051	5.0
445.81384	1.1
467.24939	100.0
468.25253	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	468.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23700	0.8
54.64434	0.8
55.01881	1.4
56.99836	1.0
57.03458	1.9
58.00599	4.1
59.01378	100.0
60.01707	1.9
61.98831	20.8
69.03440	2.6
69.59341	5.5
71.01380	52.9
72.99313	5.5
73.02946	44.4
75.00867	1.1
81.03503	1.3
83.01395	5.6
85.02946	22.4
86.00087	2.8
86.03262	1.1
87.00875	21.0
87.04514	7.6
89.02441	43.1
95.01364	1.3
97.02927	2.3
99.04510	1.7
101.02442	61.2
102.02735	1.1
103.04008	23.3
108.02122	2.5
109.02946	1.3
113.02442	12.2
113.99561	1.7
115.04016	12.1
119.03493	19.3
125.02448	4.9
127.04024	1.2
130.06624	1.6
131.03505	16.7
142.06633	6.8
143.03487	24.6
145.05057	8.9
152.01129	2.2
160.07712	4.4
161.04547	1.8
163.06119	50.4
164.06424	1.2
179.05591	3.1
205.07167	33.3
206.07436	1.4
209.03027	1.0
265.09235	3.3
285.89722	1.0
322.12927	32.2
323.13193	3.0
419.90015	1.1
468.18698	92.2
469.13525	1.0
469.19119	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	468.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01381	11.0
59.70614	0.5
61.98830	30.6
69.74981	0.6
71.01381	14.3
71.50436	0.7
72.42170	0.8
72.99314	1.6
73.02943	4.8
74.99086	1.1
75.00884	0.8
83.01392	2.2
85.02955	6.3
86.02480	10.4
87.00905	0.8
89.02454	5.4
95.01391	0.9
96.96003	2.0
97.02952	1.0
99.00877	2.0
99.92585	1.3
101.02436	11.1
104.32917	0.6
106.55629	0.7
113.02444	4.7
115.92095	1.5
119.03507	2.3
119.05009	0.7
123.04519	1.0
125.02457	1.2
137.02483	0.6
143.03496	0.9
147.80061	0.7
153.01817	1.0
161.04543	1.8
165.01964	1.3
169.01379	1.5
174.40326	0.6
180.04266	1.0
185.11987	0.8
195.06604	2.1
201.09537	1.8
217.09062	1.0
219.10582	56.0
220.10959	3.5
230.33144	0.7
242.96031	2.2
314.06754	0.8
381.15875	24.3
382.16357	2.3
468.19049	100.0
469.19342	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	467.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82791	0.6
55.01868	2.8
57.03442	5.6
58.00599	0.7
59.01382	15.7
61.98829	24.7
67.32513	0.6
69.11622	0.8
71.01384	24.6
71.52276	0.9
72.99310	4.3
73.02946	4.4
75.00873	28.7
80.91694	3.5
83.01382	4.5
84.80870	0.7
85.02951	45.7
86.03305	0.8
87.00871	8.6
89.02445	2.8
93.03442	1.1
95.01385	3.2
97.02922	1.6
99.00880	10.3
101.02457	9.5
103.00364	1.0
108.02179	1.1
109.02937	2.4
111.00878	1.4
112.01734	0.9
113.02454	29.8
114.02708	0.9
115.00347	2.6
117.01925	1.8
123.04488	0.7
125.02443	2.6
129.01903	2.0
137.02469	4.2
139.04019	1.0
147.02969	1.8
151.03966	1.1
152.01207	0.7
153.01962	1.0
157.01393	1.3
161.04597	1.7
167.03534	1.3
169.08734	0.7
173.04552	0.8
173.06010	0.9
175.02464	2.4
177.01988	0.7
191.01964	4.0
209.02994	0.7
209.21083	0.7
217.08806	1.0
227.03490	0.9
291.18103	2.1
315.58786	0.8
380.07474	0.7
385.12881	0.7
407.11246	0.9
407.19101	1.2
450.16559	0.9
467.21255	100.0
468.21793	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	467.1194
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
57.03457	7.3
59.01375	7.2
61.98834	16.2
71.01388	3.5
71.26554	2.6
72.05479	1.1
81.03447	1.6
83.01378	7.0
85.02962	5.2
85.53952	1.4
86.63230	1.2
89.44279	1.1
93.03474	3.5
96.96009	12.7
99.04447	1.4
101.02453	1.2
107.01402	2.4
108.02160	4.6
109.02950	23.0
111.00845	1.6
113.02419	1.4
121.02962	13.6
123.00901	2.1
123.04486	3.0
125.02448	100.0
125.63778	1.2
126.02805	3.7
133.02937	3.8
137.02443	17.9
139.03987	3.4
149.02432	6.1
151.04002	5.2
152.01134	4.3
152.04453	1.4
153.01892	2.6
153.05598	1.5
161.02444	63.8
162.02829	2.0
163.00330	2.2
164.01122	6.0
165.01932	12.6
167.03520	6.8
167.08481	1.3
169.01410	8.0
175.03989	2.0
176.03526	1.3
177.01898	3.3
179.03485	3.5
183.04488	1.9
189.38297	1.4
195.02989	16.2
219.06599	1.3
225.05518	2.2
243.06618	2.2
259.06213	1.5
269.04587	7.7
287.05615	31.3
305.06644	49.0
306.06967	3.5
313.05798	1.8
315.07108	1.7
357.08148	3.5
423.09210	3.7
449.10840	8.0
467.12631	34.1
468.12079	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	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.3
55.01876	2.0
57.03194	0.4
57.03448	4.9
58.00600	0.3
59.01380	11.6
59.94165	0.2
61.98825	1.5
67.01891	0.5
68.99821	0.7
69.03453	0.6
69.44375	1.5
71.01382	21.1
72.01708	0.3
72.99310	3.7
73.02943	3.9
75.00871	24.9
76.01241	0.2
78.95901	0.4
83.01385	3.7
84.02167	0.6
85.02948	34.3
86.00116	0.5
86.03290	0.4
87.00873	7.2
87.46452	0.3
89.02434	2.1
93.03395	0.3
95.01384	3.3
96.83846	0.3
96.96957	0.4
97.02949	0.8
99.00882	9.1
101.02435	7.2
103.00368	0.5
109.02962	0.4
111.00885	0.9
112.01665	0.9
113.02448	25.8
114.02760	0.5
115.00361	2.8
116.01144	0.3
117.01945	1.5
123.04549	0.4
125.02434	0.9
129.01933	1.0
131.03462	0.4
137.02443	0.4
147.03008	0.7
153.05507	0.4
157.01413	1.1
159.02974	0.4
161.04535	1.6
173.04543	0.4
175.02461	3.0
191.01950	1.4
203.05975	0.3
209.02994	0.4
272.79315	0.3
291.18146	1.7
349.18658	0.6
371.03595	0.2
376.92096	0.3
384.60425	0.2
407.19199	0.7
447.71951	0.3
449.20157	0.5
450.20499	0.6
467.21286	100.0
468.21640	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	467.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24283	0.9
59.01353	1.4
65.00337	1.1
69.03445	1.6
69.56390	2.7
69.56792	3.7
69.87154	0.9
71.01350	3.7
72.99258	1.0
73.02916	1.5
74.58295	0.9
79.01864	1.2
85.02927	2.5
88.15936	0.9
95.01352	1.8
97.02929	1.3
98.20602	1.9
100.13846	1.0
101.02412	1.6
105.24249	0.9
105.94730	0.9
107.01379	6.7
108.02172	29.2
109.02975	13.6
111.00841	1.6
113.02403	2.1
123.00142	0.9
123.00880	11.6
123.04519	8.7
124.01608	1.3
125.02445	33.6
126.02711	1.2
129.55258	0.9
138.01859	1.5
139.00310	4.0
140.01080	2.7
141.01927	1.0
151.00381	8.2
151.03923	1.2
152.01152	36.8
153.01945	10.5
153.05574	8.2
160.45050	0.8
168.00545	3.9
169.01419	44.9
170.01718	1.9
193.98546	4.9
194.99139	1.0
196.43442	0.8
211.02367	1.7
313.02286	1.1
313.05591	14.0
314.06021	1.3
315.07233	14.9
423.09390	24.8
424.09415	2.2
449.06870	1.8
467.07898	100.0
468.08264	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	466.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60370	0.3
61.98829	100.0
69.83231	1.9
81.62016	0.5
90.13187	0.3
91.47109	0.4
96.95977	0.5
103.91022	0.4
117.19248	0.4
136.07736	0.4
180.36107	0.4
288.61041	0.3
312.14703	0.4
467.08408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79852	0.7
57.03430	2.8
59.01374	6.3
59.22518	0.7
61.49674	0.8
61.89643	0.7
61.98526	1.3
61.98824	15.7
65.00346	0.8
69.93755	3.6
71.01372	4.1
83.01385	2.0
85.02943	3.0
87.00840	2.1
89.00665	1.5
89.02448	1.6
89.07253	0.7
95.01384	2.7
96.96010	2.3
97.02933	2.0
98.19947	0.8
101.02445	1.8
102.08203	0.7
107.01373	4.4
107.67248	0.7
108.02197	0.8
109.02969	4.1
111.00893	1.3
113.02431	2.3
121.02981	1.4
123.00883	7.9
123.04516	3.1
124.01667	8.8
125.02451	16.0
126.02757	4.6
127.00367	1.1
137.02440	22.0
138.03154	3.2
139.00395	2.7
139.04021	8.5
140.01164	0.9
149.02452	5.6
150.03154	2.8
151.00328	2.8
151.04024	9.7
152.01147	4.2
152.04454	1.1
153.01936	4.5
153.05554	4.6
155.03493	0.9
155.10747	1.1
161.02438	11.3
161.04526	0.8
164.04778	8.2
165.05524	2.5
168.00630	4.0
169.01398	2.4
169.27679	0.7
171.10213	1.1
175.03947	1.5
176.04781	12.5
177.01942	3.2
178.02408	1.0
178.05107	2.6
178.99905	1.4
179.03494	19.2
179.07103	18.8
180.03813	1.0
181.05060	32.4
182.05829	76.6
183.02956	12.7
183.06142	3.2
190.05077	1.0
191.01894	0.8
191.07155	7.7
193.07379	2.0
194.05826	24.1
195.06570	7.0
196.07381	8.8
197.08173	50.8
198.08519	2.7
200.04379	1.0
201.12799	1.1
206.54649	0.7
208.06148	2.8
209.08179	100.0
210.08467	5.3
211.02487	1.0
217.05060	1.0
218.05446	0.9
223.08420	4.4
235.08502	1.0
238.10832	8.6
245.11783	1.2
250.10944	3.2
257.35977	0.9
268.11948	2.9
276.06036	1.2
285.03925	3.6
286.04391	7.6
297.06110	1.4
303.05142	2.6
304.05396	7.1
313.05609	0.9
327.07239	4.8
331.06738	0.9
375.14389	0.8
379.12195	1.0
387.14285	4.5
403.14172	1.2
444.09692	1.0
466.09644	7.0
466.15665	3.2
467.11874	24.2
467.17288	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	465.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03773	17.6
60.73550	16.4
69.31686	48.2
69.32105	100.0
79.97665	15.3
100.35954	15.9
161.67700	20.1
203.71161	16.1
237.95097	15.7
273.80920	18.8
395.62805	16.7
425.84784	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	465.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38200	25.2
59.01366	43.1
60.73637	30.8
70.24221	31.2
70.24576	100.0
73.51792	25.5
75.83494	26.7
79.05923	30.8
96.57625	26.4
100.33212	28.6
101.83441	28.4
132.04681	35.8
159.55939	29.0
228.99748	27.2
274.73584	32.1
440.25803	37.2
450.13794	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	465.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43579	0.9
56.65700	0.9
57.03437	6.0
59.01372	2.9
61.98817	2.8
69.03442	2.2
70.01066	0.8
71.00386	2.1
71.05030	0.9
77.03968	1.6
78.95901	3.2
79.72001	0.8
81.03460	4.3
83.01382	7.7
89.02422	1.0
93.03452	4.7
95.01391	1.6
95.05017	6.4
97.02939	5.3
97.06586	2.7
99.04472	1.8
105.07073	2.1
107.05016	2.2
109.02969	5.1
121.02950	5.7
121.06573	1.5
122.03730	5.8
123.00870	1.3
123.04510	3.4
123.08160	18.2
124.01674	2.3
125.02445	33.5
126.02782	1.1
126.28783	0.9
134.03691	1.0
135.04510	3.9
135.08162	4.3
136.05280	1.4
137.02440	70.5
138.02950	1.8
139.03964	2.2
140.61778	1.0
146.03725	9.6
149.06075	3.6
151.00342	1.0
151.03993	2.6
151.07645	1.8
152.99562	6.7
159.04474	4.3
161.02440	1.4
161.06056	2.2
163.07591	1.9
164.01146	12.6
165.01918	100.0
165.09166	1.4
166.02226	4.2
167.03493	21.0
172.05284	3.1
173.06032	8.5
174.03236	3.3
174.06749	3.7
175.04031	0.9
175.06111	1.3
175.07640	22.5
176.08112	1.2
177.01930	1.3
179.03488	14.5
185.06116	2.1
186.06927	1.0
187.03969	1.0
187.07596	6.4
188.08315	1.3
189.09171	2.1
199.04037	2.2
199.07635	1.8
200.08347	1.3
201.05536	2.7
201.09161	7.1
202.06323	2.3
203.07118	5.3
204.04253	2.9
209.06000	1.1
211.07545	1.6
213.05508	1.7
213.09206	1.8
215.06975	1.2
217.08864	1.1
225.05650	2.6
226.06252	1.1
227.07176	1.3
227.10634	1.4
229.08650	2.2
239.07065	1.5
239.10742	1.7
240.07974	1.1
241.08765	1.3
242.09334	1.1
243.10260	1.3
244.07509	1.9
244.10913	1.4
250.06114	1.4
251.10634	1.6
254.09441	1.9
255.10237	2.2
257.08194	1.5
268.07355	1.6
279.10165	1.2
281.11786	1.3
281.15195	1.2
283.09579	1.1
285.03976	3.0
285.14825	1.5
288.06329	5.0
289.06851	1.1
297.11310	2.6
297.14938	6.6
299.16495	3.4
309.11505	1.6
309.14932	10.7
323.12820	3.4
327.15848	1.2
337.18326	1.3
341.10287	15.0
342.10712	2.1
367.11798	13.7
368.12241	2.1
381.17184	1.5
403.19058	1.1
421.20181	3.6
447.17987	1.9
465.19113	49.4
465.35925	2.6
466.19565	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.7
58.00616	2.2
59.01380	100.0
60.01729	1.5
60.15788	1.0
61.80476	1.2
61.98832	5.0
71.01379	34.8
72.99313	2.4
73.02942	2.1
73.26145	1.3
75.00860	1.8
83.01396	1.5
84.00769	1.1
85.02950	10.0
87.00878	3.9
89.02443	44.2
95.01406	2.6
96.95978	1.6
101.02435	23.1
113.02451	18.2
119.03492	23.2
125.02444	6.9
131.03511	2.1
143.03493	4.8
149.02429	1.4
149.04568	1.8
151.00343	2.2
153.01970	1.8
159.37061	1.3
161.02451	1.5
161.04536	5.7
163.11351	1.8
166.69643	1.1
175.03915	1.6
178.49939	1.1
178.99567	1.5
179.05605	9.4
181.01445	1.3
181.12325	3.3
208.30640	1.2
217.24524	1.2
229.05304	1.3
243.15962	4.5
249.06134	2.4
275.05560	1.3
285.04041	3.7
303.05103	3.8
401.43408	1.4
405.21283	66.0
406.21536	5.8
447.09045	1.9
465.16049	9.6
466.16397	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	465.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85890	1.4
54.13241	1.6
57.03450	8.3
59.01382	9.2
61.98833	9.0
69.03448	2.3
71.51410	1.9
78.95902	20.6
81.03445	5.2
83.01392	7.4
93.03452	2.9
95.01372	1.7
95.05013	3.2
96.05444	1.7
96.73961	1.6
96.96021	2.1
97.02956	5.3
97.06564	2.3
99.00972	1.5
99.04491	2.7
108.02170	8.7
109.02965	11.0
121.02949	7.0
122.03719	6.2
123.04530	2.0
123.08153	23.7
124.01669	2.9
125.02443	34.2
135.04503	4.7
136.05296	20.1
137.02446	86.0
138.02859	2.7
139.03998	3.8
144.38911	1.7
146.03737	11.3
149.02467	1.5
149.06058	5.8
150.06850	1.6
151.04013	5.0
152.01097	6.6
152.99579	21.2
153.01816	2.5
158.63693	2.0
159.04491	3.3
161.04631	1.7
163.07622	2.2
164.01155	13.3
164.08276	1.9
165.01927	100.0
165.09163	5.2
166.02196	4.9
167.03473	26.4
172.05307	2.2
173.06067	7.2
174.03181	2.5
174.06895	3.7
175.07652	21.9
177.01917	2.1
179.03551	8.8
185.06035	2.2
187.07631	6.0
198.90092	1.6
199.07655	1.7
200.08444	2.2
201.05577	2.4
201.09152	3.7
203.07111	4.6
204.04243	2.4
209.06052	1.8
212.08426	1.9
213.09140	1.8
225.05490	2.6
225.09460	2.1
227.07178	2.3
237.09126	2.6
241.08498	2.5
241.12360	2.4
243.08023	2.3
244.07155	2.0
251.07101	2.8
251.10706	1.8
252.07889	2.3
254.09407	1.9
255.10284	2.4
265.12234	2.2
268.07474	2.6
280.11160	2.3
288.06305	6.4
297.11356	4.5
297.15002	6.5
299.16458	3.6
309.14896	17.4
315.07202	2.6
323.12796	3.8
327.15991	2.2
341.10190	16.5
367.11777	15.1
368.11868	2.1
421.20337	3.3
424.32697	2.0
447.18118	5.4
450.33200	2.0
465.18884	47.4
465.35739	27.6
466.19370	7.0
466.36151	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	465.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.9
58.33210	0.9
59.01371	3.6
61.98830	28.0
65.32716	0.9
69.03453	2.3
69.56819	1.0
77.03958	1.6
78.12690	1.1
81.03449	3.0
83.01374	6.6
93.03454	5.5
95.01392	1.6
95.05016	5.0
97.02984	4.9
97.06567	2.1
99.04513	2.2
101.02419	1.2
105.07102	2.6
107.04995	1.2
109.02935	4.3
109.82950	0.9
117.07080	2.5
121.02974	5.6
122.03751	6.7
122.04517	1.2
123.04481	2.6
123.08165	17.8
124.01664	1.3
124.08467	1.0
125.02438	30.2
135.04559	1.9
135.08105	5.4
137.02440	72.6
138.02867	1.6
139.04004	2.5
146.03737	9.5
149.06071	3.0
151.03999	1.8
154.02753	1.2
159.04474	4.9
161.06079	1.5
162.03235	1.4
163.07567	1.6
164.01160	12.9
165.01926	100.0
166.02278	4.0
167.02164	1.4
167.03491	21.4
168.03867	1.1
172.05228	2.3
173.06085	7.2
174.03209	4.6
174.06830	3.5
175.03897	1.5
175.07628	24.9
176.07979	1.5
177.01956	1.6
179.03502	12.2
180.03801	1.1
187.04062	1.3
187.07655	8.0
188.08226	1.2
189.09222	2.9
194.84183	1.1
197.06009	2.1
201.05614	2.1
201.09209	2.3
202.06400	2.1
203.07097	3.7
204.04219	3.1
211.07597	1.9
212.04826	1.4
213.05559	1.5
215.06960	2.0
225.05431	2.8
225.09094	1.4
227.07196	1.2
227.10689	1.2
229.08670	1.9
229.35910	1.0
239.07147	2.3
239.10811	1.9
240.07793	1.9
241.08647	1.7
251.07048	1.5
253.08525	2.5
254.09282	1.2
255.10068	2.4
267.10291	1.8
269.08127	1.0
279.10388	2.0
281.11874	2.0
283.09888	1.4
285.14969	1.6
288.06372	3.4
297.11240	3.8
297.14923	6.8
299.16525	2.6
309.14954	9.3
319.21246	1.6
323.12848	3.9
327.16058	2.6
341.10217	17.6
342.10501	2.1
367.11871	18.9
368.11887	1.7
388.49423	1.1
421.20288	5.0
447.18106	1.9
465.19119	45.1
466.19556	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	465.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48581	1.4
53.13276	1.3
57.03450	2.1
59.01361	3.9
64.74683	1.2
69.03441	1.6
71.49942	1.5
78.95927	6.5
83.01392	7.7
93.03442	3.3
95.01389	2.3
95.04998	3.2
97.02959	8.1
101.73869	1.3
109.02943	10.3
121.02968	7.8
122.03758	12.3
123.04500	6.0
124.01681	1.9
125.02454	14.7
137.02452	81.2
138.03189	4.4
139.04027	2.6
149.02451	5.5
150.03212	15.5
151.04036	3.1
152.99599	8.2
154.02722	5.1
159.04538	2.9
160.05237	1.5
161.02394	4.5
161.06110	1.7
164.01173	10.8
165.01938	100.0
166.02341	5.0
173.06133	2.5
174.03178	1.7
175.03963	2.7
175.07593	2.0
177.12857	2.5
179.03503	8.3
200.04776	1.9
201.05521	2.3
202.06279	3.2
203.03532	1.7
203.07152	3.6
217.08681	8.3
225.05724	1.2
243.06606	2.0
244.07291	2.0
245.08127	5.5
245.10355	1.6
247.09732	1.8
254.20062	1.4
259.05911	1.8
272.07007	1.2
287.05612	5.0
288.06369	31.3
289.06985	8.4
297.23334	3.2
335.77524	1.3
359.63455	1.3
392.02811	1.3
447.17819	1.8
465.19110	23.8
466.19324	6.2
466.25168	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	465.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05408	1.3
57.03443	3.2
59.01380	75.5
59.84057	1.5
61.98829	53.7
65.00313	4.0
71.01383	16.4
71.50870	1.3
73.02940	3.0
78.91875	1.7
79.66051	1.3
83.01393	3.4
83.45829	1.3
85.02940	7.1
87.00879	99.5
88.92071	1.7
89.02449	14.9
93.03452	5.6
94.81704	1.4
95.01363	4.3
99.00872	1.6
101.02462	10.6
105.03429	1.8
107.01369	5.1
108.02187	9.6
109.02962	7.9
109.48242	1.5
111.04559	1.4
113.02492	7.6
119.03525	6.6
119.05009	1.6
121.02984	8.8
122.03735	6.5
123.00874	1.8
123.04539	7.1
124.01662	5.0
125.01531	2.3
125.02450	37.4
133.02939	2.0
135.04506	2.8
136.01636	1.5
137.02434	9.4
139.00383	1.5
143.03445	2.4
149.02437	34.8
150.03229	75.1
151.00372	23.8
151.04041	9.1
152.01155	16.3
153.01917	10.9
161.02420	1.9
161.04553	4.0
163.03963	2.0
164.04796	9.8
165.01863	2.9
165.05573	100.0
166.02657	5.2
166.06357	19.9
167.03470	5.1
167.07091	4.6
168.00630	5.9
169.01462	2.5
175.03973	5.6
176.04762	1.6
177.01915	7.2
178.99869	11.2
179.03439	3.7
179.05635	3.7
179.07123	3.3
180.04311	8.0
181.05037	5.7
181.08746	13.0
182.05850	9.1
182.08827	1.4
183.03003	3.4
188.04805	1.6
189.05403	1.4
191.07130	1.7
193.01491	1.7
194.05786	4.1
195.06622	71.4
196.07225	2.9
197.08199	6.5
199.03905	3.7
209.08154	12.2
215.03496	2.3
217.04994	3.5
240.43073	1.3
241.05130	3.8
243.16003	19.5
253.88214	1.7
257.04715	1.5
259.06027	2.7
275.05646	2.9
281.06696	6.4
285.04004	25.2
286.04410	3.9
301.03641	7.3
303.05066	19.3
304.05609	1.6
314.11581	9.6
329.13928	23.5
330.14294	1.9
343.11902	1.5
377.16034	10.9
405.21219	4.6
421.11212	1.5
459.30820	1.5
465.10309	32.2
465.17618	41.3
465.31735	2.4
466.10486	2.9
466.17917	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	465.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.0
61.98539	1.7
61.98830	28.0
69.33629	1.0
69.33921	9.7
70.43144	1.2
71.01373	2.8
74.22356	1.2
80.58327	1.0
80.96526	1.3
83.01398	1.3
89.02468	1.3
89.03963	1.4
93.03461	1.4
101.02420	2.0
108.02168	11.3
108.96804	0.9
109.02953	17.7
117.03448	1.4
121.02932	1.7
123.04521	19.4
124.01637	1.9
125.02425	4.5
133.02945	2.9
136.02512	1.1
137.02419	5.0
147.04515	3.7
149.02385	1.8
150.03226	2.1
151.03984	10.8
159.04465	2.4
160.01659	3.2
161.02385	4.8
161.04556	1.1
165.01939	1.9
175.04065	5.5
177.01907	23.3
182.84789	1.2
187.03943	1.5
189.01915	48.7
190.02647	10.9
191.03505	11.4
203.03510	3.7
203.07153	1.3
216.00589	8.0
217.01398	34.2
217.08640	3.4
218.01924	3.6
219.02965	10.8
231.02940	10.0
245.08076	1.5
259.09775	1.4
271.06113	3.5
281.04529	2.3
283.02817	1.2
289.07208	8.3
313.07120	2.2
323.05737	1.9
341.06638	100.0
342.07016	9.9
355.08261	7.7
463.30173	1.2
465.11850	40.3
465.17493	2.0
466.12201	7.1
466.18115	1.5
479.22836	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	465.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05408	1.3
57.03443	3.2
59.01380	75.5
59.84057	1.5
61.98829	53.7
65.00313	4.0
71.01383	16.4
71.50870	1.3
73.02940	3.0
78.91875	1.7
79.66051	1.3
83.01393	3.4
83.45829	1.3
85.02940	7.1
87.00879	99.5
88.92071	1.7
89.02449	14.9
93.03452	5.6
94.81704	1.4
95.01363	4.3
99.00872	1.6
101.02462	10.6
105.03429	1.8
107.01369	5.1
108.02187	9.6
109.02962	7.9
109.48242	1.5
111.04559	1.4
113.02492	7.6
119.03525	6.6
119.05009	1.6
121.02984	8.8
122.03735	6.5
123.00874	1.8
123.04539	7.1
124.01662	5.0
125.01531	2.3
125.02450	37.4
133.02939	2.0
135.04506	2.8
136.01636	1.5
137.02434	9.4
139.00383	1.5
143.03445	2.4
149.02437	34.8
150.03229	75.1
151.00372	23.8
151.04041	9.1
152.01155	16.3
153.01917	10.9
161.02420	1.9
161.04553	4.0
163.03963	2.0
164.04796	9.8
165.01863	2.9
165.05573	100.0
166.02657	5.2
166.06357	19.9
167.03470	5.1
167.07091	4.6
168.00630	5.9
169.01462	2.5
175.03973	5.6
176.04762	1.6
177.01915	7.2
178.99869	11.2
179.03439	3.7
179.05635	3.7
179.07123	3.3
180.04311	8.0
181.05037	5.7
181.08746	13.0
182.05850	9.1
182.08827	1.4
183.03003	3.4
188.04805	1.6
189.05403	1.4
191.07130	1.7
193.01491	1.7
194.05786	4.1
195.06622	71.4
196.07225	2.9
197.08199	6.5
199.03905	3.7
209.08154	12.2
215.03496	2.3
217.04994	3.5
240.43073	1.3
241.05130	3.8
243.16003	19.5
253.88214	1.7
257.04715	1.5
259.06027	2.7
275.05646	2.9
281.06696	6.4
285.04004	25.2
286.04410	3.9
301.03641	7.3
303.05066	19.3
304.05609	1.6
314.11581	9.6
329.13928	23.5
330.14294	1.9
343.11902	1.5
377.16034	10.9
405.21219	4.6
421.11212	1.5
459.30820	1.5
465.10309	32.2
465.17618	41.3
465.31735	2.4
466.10486	2.9
466.17917	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	465.1035
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03437	0.9
59.01380	5.9
61.98831	9.6
63.02386	1.1
65.00319	17.4
68.23476	0.7
69.50881	1.4
69.51294	2.8
71.01372	2.8
73.02944	0.8
73.49522	0.6
81.00941	0.8
81.03465	0.8
83.01382	8.2
85.02962	1.1
87.00871	0.8
89.02454	2.1
101.02451	1.8
105.75841	0.7
106.34149	0.8
107.01389	23.1
108.01657	0.8
109.02946	1.9
111.90761	0.7
113.02418	0.8
121.02978	0.9
123.04511	11.5
124.01638	1.5
125.02453	10.7
131.36166	0.8
133.02994	5.3
134.74037	0.7
135.04539	2.5
147.04567	1.1
149.02429	2.0
150.03229	9.6
151.00365	100.0
151.03998	23.9
152.01082	6.4
152.04343	0.9
153.01881	1.1
160.19057	0.6
161.04588	0.9
165.05617	0.9
169.01402	1.2
171.04501	1.0
175.04019	1.8
176.01144	1.0
177.01944	1.7
177.15608	0.8
178.99852	5.9
185.06122	0.9
199.04001	2.4
213.05586	0.9
215.03444	0.7
217.05017	1.7
217.75426	0.8
229.05014	0.9
241.05104	1.7
285.04028	58.2
286.04465	4.4
303.05121	3.3
313.09195	2.5
339.07202	3.8
447.09238	0.9
465.10321	14.7
465.23761	1.4
466.10852	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
59.01382	2.0
61.98826	5.9
69.03448	0.5
71.01390	4.7
73.02951	1.2
77.43057	0.6
79.01880	0.9
81.03473	1.6
83.01413	1.1
85.02962	3.7
85.25130	0.6
89.02433	0.8
91.01912	1.2
93.03424	0.6
95.01397	2.6
101.02438	3.5
107.01398	3.6
108.02173	66.4
109.02966	36.6
109.62521	0.5
110.03304	1.1
111.00909	1.3
112.47906	0.5
113.02438	1.7
121.02982	0.6
123.00900	3.8
123.04527	6.6
124.01665	1.1
125.02436	2.3
135.00911	2.6
135.04532	1.0
151.00346	3.7
151.03999	1.5
151.07622	0.6
152.01149	75.8
153.01942	35.7
154.02261	0.6
163.03973	1.5
166.02690	1.1
167.02150	1.0
167.03499	15.2
168.04028	0.6
169.01385	0.7
178.99765	1.0
181.05026	0.8
195.02896	0.7
195.15663	0.6
207.03015	1.3
209.04623	0.6
251.80869	0.6
281.06662	1.0
296.05350	1.2
297.06134	8.4
298.06433	0.6
302.03394	0.6
311.07748	5.6
315.07184	6.3
421.11398	5.5
433.07672	4.8
446.01904	0.6
465.10287	100.0
466.10632	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	465.1036
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.42717	0.5
57.03445	11.0
59.01376	4.5
61.98829	19.7
63.02383	0.6
65.00332	3.5
69.26707	3.9
71.01370	1.4
75.00851	0.6
83.01390	4.9
85.02941	0.8
89.02465	0.7
95.01389	3.5
98.19936	1.0
101.02470	0.9
106.24371	0.6
107.01393	3.8
108.02223	1.2
109.02959	3.3
111.00872	1.3
113.02415	0.6
119.03532	0.6
121.02953	1.3
123.00914	2.5
123.04503	4.3
124.01663	7.3
125.02445	100.0
126.02799	2.7
133.02914	1.3
135.04509	0.5
137.02435	2.9
139.00409	1.3
139.04010	1.2
147.04494	1.1
149.02422	3.7
150.03239	4.3
151.00371	17.4
151.04008	7.1
152.01157	15.7
153.01921	7.6
160.05231	0.6
161.02428	0.6
161.04529	0.7
161.06024	1.0
163.00389	1.2
163.03975	1.1
165.05600	0.8
169.01379	1.4
172.05263	0.8
173.02461	0.6
173.06067	1.5
174.03192	2.2
175.03986	5.8
176.01154	1.9
177.01898	3.7
178.99849	8.6
180.00343	0.7
181.01433	1.4
185.11905	0.7
187.04008	0.6
188.04768	1.9
188.83960	0.6
189.05550	4.2
191.03525	2.3
193.05061	3.2
195.06589	3.1
199.04005	1.8
201.01830	0.7
203.07190	1.1
213.05630	1.0
215.03517	0.7
215.07141	1.0
216.04134	0.8
217.05045	9.0
218.05415	0.9
219.02855	0.8
231.06659	2.1
233.04543	0.8
235.05969	1.0
238.47141	0.6
241.05115	1.9
257.04498	1.0
259.06097	13.8
260.06540	0.7
274.04776	1.9
275.05588	8.1
276.05832	0.6
284.03256	1.4
285.04034	30.7
286.04285	2.4
303.05081	9.2
304.05508	0.8
311.07376	0.6
313.05496	0.6
339.07254	0.6
343.11771	0.7
421.11411	1.6
437.10858	16.9
438.11121	1.8
447.09299	8.4
448.09805	1.2
465.10364	73.2
466.10745	8.7
482.15585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Ampelopsin 3-rhamnoside
Peak:m/z	Relative Intensity
56.73069	1.5
56.87736	1.3
57.03443	3.9
59.01377	18.0
61.98829	8.8
63.02399	5.5
65.00319	15.2
69.63161	7.6
71.01378	5.7
73.02954	1.4
77.92781	1.3
80.65602	1.4
81.03466	2.2
83.01388	9.8
85.02974	3.3
86.03347	1.6
89.02468	2.3
93.03461	4.0
94.48845	1.2
95.01405	1.5
101.02457	3.5
105.03491	1.5
107.01391	21.4
109.02944	2.4
113.02446	2.1
117.03410	2.0
119.01427	1.6
119.05049	4.5
121.02952	12.7
123.00861	2.3
123.04525	17.2
124.01687	5.6
125.02444	40.0
125.03312	2.3
133.02968	1.7
135.04524	2.0
137.02449	5.8
139.00346	2.2
143.05034	4.6
145.02966	4.5
145.06616	1.8
147.00865	2.2
147.04523	6.1
149.02429	11.1
151.00363	50.3
151.04008	3.0
152.01163	15.1
153.02019	2.0
153.05585	12.6
159.04535	3.9
161.06157	3.7
163.00420	2.8
164.01128	9.5
166.02702	1.9
166.99948	1.9
167.03508	7.1
167.04868	3.1
168.00775	3.2
169.01442	5.9
169.06647	3.2
171.04585	4.2
175.00375	2.1
177.02043	2.3
178.99844	31.0
183.04533	5.0
185.06108	5.1
187.04041	5.9
189.05583	3.6
191.03543	3.0
192.00650	17.4
193.01335	4.2
195.04596	1.9
211.03940	6.8
213.01944	2.4
213.05566	5.5
214.02780	2.0
215.03491	9.0
227.03552	5.4
229.05032	6.9
233.04530	1.6
239.03534	6.1
255.02972	73.6
256.03360	6.6
257.04526	50.3
258.04935	4.7
273.04111	5.0
274.04974	2.4
283.02469	100.0
284.02756	10.4
285.04031	2.7
301.03528	50.8
302.03903	3.0
311.07697	12.0
313.05862	3.5
319.04581	2.9
339.07251	7.6
447.09528	6.4
465.10516	69.0
466.10843	8.0
469.51547	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	464.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14994	0.7
59.01372	3.2
61.98829	100.0
63.94898	0.8
64.57137	0.8
65.14283	1.0
69.84573	4.7
71.01383	1.1
73.02941	1.0
78.95889	1.7
82.49921	1.0
85.02952	0.9
98.20007	0.9
101.02420	1.1
137.02431	2.3
165.01949	2.2
209.11877	1.1
210.12233	0.9
249.36494	0.8
252.66615	0.9
369.13678	1.1
432.61667	0.8
465.19119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98830	100.0
62.10895	0.6
63.02126	0.5
67.15145	0.6
71.51639	0.9
78.95933	1.7
96.96021	0.8
104.79574	0.6
105.69640	0.6
118.01421	0.6
122.02483	0.7
125.02464	1.4
137.02454	1.7
157.82358	0.6
165.01886	1.5
464.08844	0.7
465.18939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17969	0.5
59.01385	1.2
60.27454	0.4
61.98829	100.0
70.46282	1.1
70.46635	0.8
78.95916	2.7
84.91364	0.5
96.96990	0.5
97.06599	0.5
97.81013	0.4
103.97012	0.5
137.02464	2.4
152.99632	2.8
159.04498	0.5
165.01918	1.2
169.06612	0.4
179.03444	0.6
180.40686	0.5
209.09801	0.5
464.24741	0.5
465.18399	0.6
465.23230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.2
57.93451	1.0
59.01377	8.7
61.25921	1.1
61.98829	100.0
68.73363	1.1
71.01379	3.8
71.51920	1.8
73.02937	1.4
80.84494	1.0
80.96474	1.1
83.01402	1.4
85.02982	1.6
86.25031	1.2
89.02478	1.2
101.02434	1.6
109.98443	1.3
113.02440	1.6
125.02438	3.3
134.67838	1.1
135.04512	3.4
136.04852	1.5
137.02383	1.4
137.18448	1.1
140.65010	1.1
151.00308	1.3
161.04526	1.4
165.01863	1.0
166.93790	1.1
168.75606	1.1
169.01382	2.2
180.97418	1.1
201.09229	1.1
201.78627	1.1
210.12086	1.9
229.08545	1.1
259.09671	1.2
300.02664	1.4
302.07452	1.4
316.74460	1.3
420.28055	1.5
464.26620	2.0
465.18304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01369	1.1
61.01258	0.5
61.98830	100.0
64.63335	0.4
69.03454	0.6
69.95006	2.1
71.01408	0.5
72.74265	0.4
73.22073	0.5
78.77832	0.4
78.95933	0.6
81.03459	0.8
83.01398	1.8
89.79746	0.4
90.02243	0.4
93.03446	1.2
95.01387	0.7
95.05037	1.6
97.02962	1.4
97.06599	0.9
98.19926	0.7
99.04551	0.5
105.07104	1.2
106.51433	0.4
109.02984	1.4
117.07126	0.8
119.05032	0.5
121.02979	2.0
122.03764	1.9
123.04539	1.0
123.08172	4.5
124.01680	0.7
125.02454	8.6
135.04524	0.7
135.08195	1.9
137.02443	20.5
138.03308	0.6
139.04001	0.9
144.56961	0.4
146.03714	3.3
149.06100	1.1
151.04031	0.9
152.99594	1.1
159.04570	1.8
164.01108	4.1
165.01929	28.5
167.03494	6.6
168.08746	0.6
168.35864	0.5
173.06105	2.1
174.03293	0.7
174.06877	1.7
175.03981	0.6
175.07646	6.6
177.01976	0.5
179.03484	3.3
187.07715	2.0
189.05635	0.6
189.09224	0.8
199.07610	0.6
201.09209	0.9
203.07184	1.3
204.04347	0.6
209.11896	0.6
211.04103	0.6
214.91605	0.6
224.04834	0.5
225.05574	0.8
227.07214	0.6
239.07054	0.7
253.09116	0.6
255.10413	0.9
267.10272	0.6
281.12097	0.5
281.15628	0.5
285.15131	0.9
288.06479	1.0
295.09924	0.6
297.11389	0.9
297.14993	1.7
299.16647	0.8
309.14890	2.6
327.15787	0.5
341.10278	6.5
367.11874	5.4
369.13480	0.8
421.20392	1.3
465.19159	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	464.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19304	0.3
59.01376	3.0
61.98828	100.0
69.30127	0.9
69.30544	1.6
71.01382	0.7
75.00880	0.5
84.35690	0.3
89.02475	1.0
98.19936	0.6
107.01391	0.4
119.03484	0.4
119.67732	0.4
121.29248	0.3
121.42776	0.3
125.02459	0.6
127.01645	0.3
137.02440	0.4
151.00418	0.8
165.01883	0.3
167.97717	0.3
179.05771	0.4
193.18298	0.4
199.98807	0.3
284.11398	0.7
285.04086	0.7
339.07263	0.4
374.14233	0.3
470.02090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01379	3.5
61.98829	100.0
63.17627	0.2
65.00333	0.6
71.01365	0.6
75.00879	0.4
77.08653	0.3
83.01402	0.5
85.02935	0.3
89.02443	0.5
95.01395	0.5
98.20689	0.6
101.02492	0.4
107.01408	0.6
108.02190	0.6
109.02937	0.3
111.00916	0.3
121.02996	0.3
123.04561	1.2
124.01674	1.1
125.01525	0.7
125.02444	14.1
137.02490	1.2
139.00398	0.4
147.04530	0.3
149.02417	0.7
150.03291	0.5
151.00394	2.2
151.04054	1.3
152.01147	2.3
153.01965	1.3
161.04536	0.4
165.05608	0.5
167.03491	0.7
169.01505	0.6
174.03157	0.4
175.04095	0.9
176.01126	0.3
177.01985	0.6
178.99911	0.9
181.77101	0.3
189.05626	0.8
193.05138	0.6
195.06686	0.5
217.05106	1.0
259.06119	2.2
275.05737	1.3
281.06738	0.7
285.04028	3.6
303.05185	1.3
421.11426	0.5
437.10709	2.3
447.09589	1.3
464.21933	0.4
465.10370	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	464.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01377	6.2
61.98826	100.0
71.01375	3.3
71.28492	0.4
71.52454	0.7
73.02945	1.2
78.91874	0.8
85.02947	1.2
87.00908	0.7
89.02448	2.7
96.96033	0.7
101.02437	1.7
104.39605	0.5
108.02180	0.9
109.02950	1.5
113.02436	1.3
119.03526	0.5
123.04539	1.9
124.01659	0.8
125.02438	2.7
135.08173	0.6
137.02457	2.3
139.00453	0.5
148.30789	0.4
150.03125	0.6
151.04012	1.3
152.01114	0.7
160.04092	1.4
161.02490	2.1
161.04463	0.8
167.03593	0.6
169.01434	0.9
189.01936	0.8
203.07249	0.6
209.11781	0.7
214.18980	0.5
217.01410	0.7
217.08783	0.6
255.06718	1.4
289.07224	1.9
303.21991	1.3
341.06702	2.5
401.12286	0.6
463.25589	1.3
464.09451	0.8
464.15833	0.8
464.25806	0.7
465.12598	0.8
465.27103	4.0
479.22852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
58.00602	0.4
59.01382	7.8
61.98829	100.0
69.59369	0.4
71.00077	1.0
71.01376	6.1
73.02945	1.6
78.09308	0.5
78.91916	0.6
80.73528	0.4
83.01397	1.0
85.02966	1.5
87.00877	1.0
89.02441	3.7
92.08443	0.4
99.00853	0.7
101.02440	5.4
102.02806	0.7
111.08144	0.5
113.02451	2.2
114.02763	0.7
119.03511	1.1
123.04540	0.6
125.02475	1.5
126.20261	0.5
131.07310	0.5
137.02321	0.5
152.99445	0.5
161.04567	2.3
165.12837	5.3
166.13174	2.9
180.29492	0.5
183.13887	58.8
184.14229	28.8
185.14471	0.8
203.85989	0.4
209.11797	1.5
210.12138	1.1
227.12894	7.0
228.13202	4.1
235.08263	0.6
253.09203	4.6
254.09665	1.5
289.07202	1.2
463.21796	17.3
464.22162	37.5
465.22348	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	463.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
59.01377	1.6
59.39690	0.5
61.98823	1.0
63.49079	0.4
71.50744	0.6
78.95907	26.1
104.97469	1.1
106.81611	0.4
109.19569	0.5
110.98537	17.7
113.09706	2.5
120.45382	0.4
122.93240	0.4
137.00125	0.6
149.00084	1.3
152.99579	0.5
167.01143	16.6
171.10229	1.0
179.14392	1.5
181.12280	0.8
185.02187	4.6
194.98843	4.2
195.13908	18.9
196.14172	1.1
209.11819	2.2
227.12767	1.2
253.09279	0.5
271.02588	0.7
277.21732	16.9
277.24783	0.9
278.21933	1.5
295.22775	100.0
296.23108	9.7
300.02661	0.7
316.02158	1.0
367.01932	0.5
445.14703	0.5
463.11212	3.1
463.24661	44.4
464.24973	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59209	0.3
57.03462	0.8
57.96456	0.3
59.01367	1.4
70.51113	1.0
70.51441	0.4
78.44379	0.4
78.95475	0.6
78.95907	8.0
85.39867	0.4
93.26907	0.4
93.51716	0.3
110.97817	0.6
110.98541	6.1
113.09727	1.8
114.10052	0.5
128.09071	0.4
152.99481	0.5
167.01161	2.7
177.12854	0.8
179.14420	1.3
185.02203	5.0
195.13893	14.0
196.14217	1.4
209.11775	0.7
277.21704	15.2
278.21976	1.2
293.21045	0.5
295.22769	100.0
296.23120	9.4
333.96436	0.4
431.82352	0.4
463.08762	0.6
463.24664	17.9
464.25040	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54871	0.5
55.01878	0.8
57.03457	0.8
58.00595	0.5
59.01379	11.1
61.98830	23.9
62.28947	0.5
69.30388	4.2
71.01377	13.8
72.99326	0.7
73.02939	5.4
73.03301	0.6
75.00878	0.5
80.02698	0.7
81.03479	1.8
83.01401	2.3
83.05018	4.9
84.02178	1.3
85.02942	5.6
87.00873	0.6
89.02444	4.6
91.34472	0.5
95.01427	1.3
95.05042	0.6
97.02940	0.8
99.00903	2.0
101.02448	8.4
107.01375	0.6
111.00903	1.2
113.02450	5.9
119.03484	1.3
125.02459	1.2
125.06143	0.6
129.01904	0.5
135.08261	0.6
137.02466	0.5
143.03561	0.7
151.00429	1.5
152.01158	2.2
159.02968	1.5
161.02512	0.8
161.04552	6.4
163.11288	3.4
165.01909	0.8
165.12877	2.7
178.99875	1.5
179.05678	0.5
191.10776	0.9
194.33432	0.5
201.01883	0.7
205.03247	0.6
209.11821	100.0
210.12160	7.0
227.12865	16.9
228.13170	1.2
231.02974	0.8
235.08034	0.6
236.27097	0.5
253.09286	13.0
254.09685	0.5
257.08316	0.6
271.02557	2.6
283.11777	0.7
287.95905	0.5
297.81284	0.5
297.85641	0.5
299.01913	1.8
299.05453	0.7
300.02570	1.1
301.03510	1.4
331.17593	3.5
371.23511	0.5
428.75079	0.5
453.03192	0.5
463.07813	1.2
463.21716	18.8
464.21704	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24512	0.4
58.00562	0.4
59.01378	7.1
61.98824	3.1
70.18716	1.5
71.01385	3.7
72.99284	0.4
73.02937	0.7
80.02664	1.1
81.03443	1.3
83.01389	0.9
83.05032	4.7
84.02156	1.0
85.02953	1.3
86.11234	0.4
87.00905	0.5
89.02452	3.0
95.05026	0.5
97.06574	0.4
99.00883	0.7
101.00454	0.4
101.02431	3.9
113.02416	1.8
119.03464	0.8
125.02435	0.9
125.06064	0.4
135.08159	0.5
142.63243	0.4
147.47258	0.4
155.10815	0.5
160.84137	0.4
161.04523	1.5
163.11287	3.6
165.12849	2.0
179.05602	0.5
191.10669	0.9
194.28781	0.3
199.13348	0.5
200.83073	0.3
209.11815	100.0
210.12180	6.8
227.12865	16.4
228.13243	1.6
235.08200	0.5
242.11507	0.4
253.09262	12.8
254.09663	0.5
295.11606	0.4
301.07178	0.5
331.17783	0.5
345.23029	0.4
383.55038	0.4
450.91800	0.4
463.21497	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03456	0.4
58.00589	0.3
59.01377	8.7
59.20579	0.2
59.68507	0.2
61.98829	0.6
62.87411	0.2
65.83184	0.2
69.03471	0.3
71.01379	6.0
72.99295	0.4
73.02946	2.0
73.88331	0.2
83.01387	0.9
85.02950	1.5
87.00893	0.8
89.02444	4.5
95.01395	0.6
97.02974	0.3
97.06617	0.2
99.00874	0.5
101.02441	6.1
103.04018	0.3
111.08147	0.6
113.02454	2.9
114.28437	0.2
115.04035	0.3
119.03493	1.1
131.03496	0.3
133.05026	0.5
143.03513	0.4
151.77969	0.2
160.94908	0.2
161.04561	1.9
165.12836	8.1
166.13185	0.4
179.05600	0.4
183.13889	100.0
184.14232	5.6
184.15872	0.2
198.93034	0.2
209.11824	2.2
227.12875	9.1
228.13162	0.7
235.08279	1.2
253.09283	9.3
254.09520	0.4
301.16412	0.3
445.20758	0.9
463.21829	58.8
464.22183	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
56.20401	0.2
57.03456	0.2
59.01106	0.4
59.01379	4.3
61.98817	0.4
65.47202	0.2
68.83802	0.2
69.03474	0.2
70.06287	0.5
70.06684	0.3
71.01376	3.9
72.99300	0.2
73.02946	0.9
83.01388	0.4
85.02930	1.3
87.00867	0.6
89.02444	2.3
90.35836	0.2
95.01387	0.2
97.06583	0.3
101.02438	3.5
102.21576	0.2
103.04027	0.3
111.08151	0.8
112.92931	0.2
113.02440	1.5
119.03505	1.0
125.02457	0.3
133.05046	0.4
143.03503	0.3
156.45581	0.2
161.04582	1.1
165.12837	8.2
166.13158	0.5
169.06561	0.4
179.05576	0.3
183.13890	100.0
184.14233	6.1
191.10771	0.2
209.11803	1.8
227.12868	12.0
228.13210	0.7
235.08267	1.2
239.17773	0.2
248.29674	0.2
253.09306	5.6
254.09540	0.2
301.16614	0.3
365.17358	0.2
445.21143	0.9
463.21844	56.4
464.22147	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86269	0.7
55.01870	3.5
57.03437	4.1
58.00578	3.1
59.01381	24.9
60.14345	0.8
61.98572	0.8
61.98832	7.7
65.00322	1.3
65.08664	0.8
69.03441	2.3
71.01383	59.4
72.99283	2.2
73.02950	21.7
75.00871	4.0
81.03439	1.1
83.01388	7.8
85.02454	1.7
85.02952	29.4
87.00860	3.2
89.01936	1.3
89.02451	17.4
90.49091	0.8
95.01390	4.8
97.02950	3.9
99.00876	14.3
101.02444	42.6
106.63961	0.7
107.01403	2.5
107.94847	0.8
108.02173	1.7
109.02930	2.7
111.00867	1.2
113.02449	21.5
115.04026	2.5
119.03500	1.7
121.02976	1.7
123.00879	1.5
124.01638	2.2
125.02466	5.6
129.01950	1.9
131.03496	2.9
133.02927	3.2
135.04506	2.0
143.03474	3.2
148.01689	1.7
149.04515	4.4
151.00363	10.9
152.66260	0.8
159.03026	5.1
161.02483	11.7
161.04544	30.0
161.05898	1.7
162.04868	1.7
163.00334	2.9
169.01396	1.8
178.99831	6.1
179.03482	0.9
191.05624	2.5
201.05637	1.2
204.06656	1.5
209.11864	4.7
211.04004	0.9
226.02599	1.2
227.03429	3.5
227.12865	5.4
229.04921	1.2
233.06648	2.9
243.02954	10.9
244.03638	0.9
245.04546	1.8
253.09254	0.8
254.02129	2.1
255.02975	23.9
256.03293	1.6
271.02475	52.4
272.02988	4.6
273.03925	1.6
293.08939	1.3
299.01794	1.1
300.02728	87.9
301.03461	49.0
302.03812	3.1
325.02856	0.9
329.15045	6.9
330.15488	1.1
331.17603	35.2
332.18082	3.7
375.17383	0.8
394.42792	0.9
463.08511	58.5
463.21826	100.0
464.08719	6.6
464.22131	13.1
468.50696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1093
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
52.31794	0.5
59.01371	1.3
61.98829	1.5
68.85619	0.6
69.03445	0.8
69.46303	1.6
69.46721	2.8
71.01398	1.1
80.61771	0.6
89.02426	0.7
95.01363	0.9
107.01366	0.7
123.00896	8.1
124.01668	25.1
125.02451	25.8
126.02814	1.0
142.15459	0.7
149.02428	1.2
149.99583	36.7
151.00211	1.9
153.76657	0.6
161.02452	0.8
165.01936	1.4
167.03481	1.7
168.00639	97.5
169.01292	6.4
170.96486	0.7
177.02019	1.5
179.03448	1.1
225.14868	0.6
264.55731	0.7
287.07669	0.8
327.05133	1.0
331.06702	3.1
356.82303	0.6
445.09775	1.7
463.10913	100.0
464.11285	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01387	8.1
61.98824	1.5
63.02393	3.9
65.00307	5.0
69.30029	4.8
69.30440	1.3
71.01373	5.7
73.02937	2.1
83.01378	4.8
83.50741	0.7
85.02943	3.5
87.00879	1.5
89.02447	2.3
95.01382	2.3
96.02148	0.7
99.00858	1.9
99.40909	0.7
101.02441	4.4
107.01373	7.6
108.02197	0.8
111.00880	3.2
113.02450	2.6
123.00858	3.0
124.01663	15.0
125.02443	11.0
139.00401	3.8
141.01958	1.6
149.02492	2.2
150.03210	2.4
151.00368	28.7
151.01576	1.7
152.01144	100.0
153.01587	2.4
161.04555	2.2
164.04774	1.0
165.01872	1.5
165.05650	1.4
169.01425	2.6
174.20645	0.7
178.99850	91.9
180.00313	5.6
199.13402	2.4
207.06633	0.9
209.11813	4.8
227.12856	7.8
253.09232	1.7
255.02829	0.7
256.03714	3.2
272.07056	1.0
273.07690	1.9
274.04669	1.8
283.11865	1.1
284.03220	13.8
285.03693	1.6
289.07159	20.3
290.07504	2.0
299.05597	49.9
300.05936	4.4
316.05890	8.9
317.06607	20.1
317.10312	1.3
331.17630	1.6
463.12427	63.3
463.21582	5.8
463.26050	4.4
464.12802	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17959	0.6
59.01365	2.2
61.98829	1.5
65.00335	1.2
69.72372	0.5
70.81181	1.4
70.81543	0.6
71.01367	1.1
75.14359	0.6
80.41840	0.6
83.01432	1.0
85.02937	1.1
98.20007	0.7
99.00880	1.0
101.02454	0.7
107.01427	2.8
108.02157	1.7
109.02952	1.7
113.02401	0.7
121.02951	1.7
124.01659	0.7
125.02441	0.9
135.00883	0.7
139.03992	0.6
148.01689	1.5
150.99193	0.8
151.00372	11.5
161.04584	0.8
163.00336	2.5
169.01363	0.7
178.99843	6.6
199.03984	1.3
209.11736	0.7
211.03967	1.6
215.03510	1.1
216.04314	0.7
226.02740	2.2
227.03612	2.7
232.43996	0.7
243.02960	11.4
244.03444	0.7
245.04417	1.2
254.02127	2.6
255.00264	0.9
255.02965	25.0
256.03345	3.0
271.02457	60.9
272.02884	7.1
273.03864	1.2
283.02481	1.1
299.01859	1.6
300.02737	100.0
301.03458	55.2
302.03867	4.4
312.59854	0.7
381.63052	0.6
410.63193	0.7
463.08783	70.4
463.22055	2.0
464.09033	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
61.98837	1.9
65.00339	1.2
70.81985	0.7
70.82311	0.9
82.51914	0.5
83.01394	0.6
85.02935	0.7
89.02473	0.8
93.69823	0.5
101.61206	0.6
107.01394	1.7
109.02939	1.3
113.02507	0.6
124.01676	2.8
125.02452	1.5
136.01659	1.0
137.02408	3.8
151.00368	9.3
152.01096	1.5
163.00386	1.2
164.01140	1.7
169.01425	1.0
178.99840	8.7
188.04726	0.6
192.00685	0.7
203.03531	0.8
205.99101	0.5
209.11891	0.7
214.02696	5.4
215.03391	0.9
227.03448	1.4
227.12933	1.4
232.03673	0.7
242.02156	4.2
243.02988	3.9
259.02390	6.6
260.02802	0.7
270.01642	7.0
271.02432	41.5
272.02802	3.0
287.01956	22.7
288.02536	2.8
299.01944	1.0
300.02734	1.7
301.03387	1.1
316.02216	100.0
317.02875	24.3
318.03369	2.0
463.08786	72.7
464.09146	8.0
469.40942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83080	0.5
55.74334	0.6
59.01378	6.4
61.98831	100.0
71.01383	3.4
71.22038	0.9
73.02955	1.7
78.95908	1.2
82.06422	0.6
83.01416	1.0
85.02966	1.7
89.02478	1.2
92.11875	0.6
96.95992	0.6
99.00896	0.9
101.02416	3.5
102.64803	0.5
103.04021	0.7
113.02444	1.9
130.50920	0.6
143.03571	0.7
144.82564	0.6
149.06113	0.6
152.99626	1.0
161.04602	2.0
183.13963	0.7
184.14279	0.6
209.11876	1.7
215.71368	0.6
227.12796	0.8
317.19681	2.1
329.23453	1.9
462.25266	0.8
463.09207	1.1
463.25745	1.2
467.49606	0.6
472.28152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.6
61.98830	100.0
70.52625	2.1
71.01374	3.1
73.02946	1.0
78.95905	2.4
83.01362	1.2
85.02960	0.9
101.02467	2.1
125.02466	1.0
152.99544	3.3
171.00467	0.8
187.72159	0.8
209.11794	1.9
227.13040	1.2
301.03619	0.7
317.19739	2.1
329.23367	1.8
402.25632	0.9
426.93353	0.8
434.02261	0.7
450.07407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76459	0.4
59.01377	100.0
60.01715	1.6
61.98827	8.3
64.97512	0.5
71.01376	3.3
73.02950	1.1
74.70113	0.5
78.95895	2.9
83.01380	0.6
85.02948	1.1
89.02448	1.3
96.96961	0.5
98.19836	0.9
99.00896	0.7
101.02429	2.7
113.02468	1.8
152.99579	4.4
161.04512	3.2
195.80081	0.4
207.10332	1.7
225.11453	1.4
325.53119	0.5
336.38907	0.5
346.75519	0.4
401.25443	5.6
404.35104	0.5
461.19180	0.7
461.28250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.5
61.01800	1.1
61.98830	100.0
70.53304	3.3
71.01380	7.5
73.02961	2.4
74.26666	1.0
75.00875	1.4
81.65924	1.1
83.01397	1.2
83.05044	2.3
85.02956	3.4
89.02431	2.9
95.10179	1.1
101.02443	4.3
104.42921	1.0
113.02438	2.5
119.03534	1.5
123.04544	1.8
124.01627	1.1
125.02460	1.8
127.24084	1.1
128.03606	1.2
132.37794	1.1
154.01408	2.2
157.32957	1.2
161.04579	1.8
162.04895	1.9
178.05145	1.3
183.13878	6.2
195.68977	1.3
208.06117	1.3
209.11867	1.9
210.18651	1.3
227.12964	2.0
301.15308	2.0
316.18286	2.0
363.57190	1.1
399.10513	1.4
438.32199	1.1
462.23962	2.0
463.22009	3.3
463.32690	3.6
482.47440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04585	1.0
52.21270	1.0
54.63204	0.9
55.01880	1.7
57.03441	2.6
58.00586	2.5
59.01379	62.8
61.98820	1.1
62.50793	0.9
69.69866	5.7
71.01381	40.0
71.04903	1.0
72.01690	1.1
72.99303	3.4
73.02945	24.8
82.58104	0.9
83.01373	2.1
85.02948	11.0
85.49120	0.9
87.00868	2.7
89.02445	45.8
90.02771	1.3
95.01400	1.9
97.02950	1.0
99.00880	3.2
99.04517	22.8
101.02441	18.7
109.06596	2.1
113.02451	14.1
119.02665	1.3
119.03506	19.8
119.82578	0.9
123.04552	1.9
125.02447	1.5
129.01987	1.5
131.03484	1.5
138.45860	1.1
143.03473	3.5
145.02875	1.1
149.04518	1.6
150.03236	1.3
151.03976	1.8
153.05614	1.2
161.04552	3.2
163.00389	5.8
163.11238	1.6
163.14954	2.0
179.05553	7.6
181.12355	2.4
191.01917	2.0
207.10255	15.2
207.13791	1.2
209.52336	0.9
225.09232	1.7
225.11307	19.6
243.12364	1.9
253.09404	1.5
281.17572	100.0
282.17883	8.6
299.14783	1.3
308.46960	1.1
336.13794	0.9
461.10632	1.8
461.19211	3.5
461.23886	11.4
462.24985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98821	4.3
67.56824	1.0
71.01379	16.6
72.99300	1.8
73.02950	3.2
85.02949	7.3
87.00880	1.4
89.02451	8.9
97.03007	1.5
99.00896	3.3
101.02451	14.4
109.06607	4.7
113.02448	7.9
113.71290	1.0
117.03441	1.4
119.03493	4.8
119.05033	6.6
145.02963	2.6
149.02318	1.6
150.03221	4.8
159.03036	1.5
161.04544	8.6
163.04013	6.3
163.11282	2.5
165.05571	2.9
207.10265	18.9
208.10643	1.6
225.11325	13.6
253.09230	2.2
401.25421	43.9
402.25781	4.9
461.20239	11.3
461.30869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85602	0.4
59.01366	0.7
59.47848	0.4
66.56870	0.5
70.82903	0.9
71.34029	0.5
78.95498	0.5
78.95901	8.6
110.97839	0.6
110.98541	7.3
119.04958	0.9
136.98706	0.5
150.03204	0.6
152.99571	0.8
163.03926	0.9
164.53839	0.6
167.01160	2.8
177.12764	0.5
179.14362	0.7
185.02177	6.3
195.12280	0.7
195.13901	8.3
196.14406	1.2
205.12282	1.1
207.10204	0.9
211.13332	0.6
223.13368	7.7
224.13867	0.8
225.11266	1.2
228.13519	0.7
231.21175	0.5
256.13135	2.3
275.20068	4.0
276.20401	0.7
293.21219	100.0
294.21515	10.5
370.55383	0.5
461.23145	19.1
462.23306	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	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95245	0.6
57.03424	0.8
59.01340	2.3
61.98819	1.4
64.90416	0.6
70.99657	1.6
72.36629	0.7
78.95903	32.1
89.46420	0.6
101.48706	0.7
101.64261	0.6
104.97430	1.6
109.06564	1.4
110.98527	21.7
113.09726	1.0
117.03432	1.0
119.05029	6.6
121.02939	1.5
122.03773	0.6
145.02866	2.2
149.02402	1.4
150.03230	4.1
152.99503	0.8
163.03999	4.9
164.04268	0.6
165.05569	3.4
165.33920	0.6
167.01143	23.2
167.10645	0.9
177.12827	0.7
179.14366	0.8
185.02193	6.0
195.13898	11.5
196.14540	0.9
205.12257	1.0
205.15735	0.8
207.10313	3.2
223.13364	9.5
224.13895	1.0
225.11353	3.3
228.13618	1.3
256.13107	2.4
265.21732	0.8
275.20093	5.0
293.21225	100.0
294.21573	8.6
343.22076	0.6
392.16089	2.2
461.23145	48.5
462.23492	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
58.00580	3.3
59.01379	94.9
61.98823	5.4
63.79351	1.3
69.03458	1.8
69.33421	12.0
71.01380	69.0
72.56242	1.5
72.99310	5.2
73.02945	30.1
83.01393	4.4
85.02953	20.6
87.00874	3.1
89.02442	100.0
95.01379	5.9
99.00876	56.7
101.02444	37.9
103.04005	7.3
113.02446	35.3
114.48264	1.3
115.04005	2.7
119.03503	10.6
125.02443	2.2
131.03502	19.8
137.51460	1.2
143.03514	7.8
145.05136	2.4
149.04550	78.1
158.00804	1.4
161.04546	13.9
163.06136	14.2
167.10788	25.9
179.05652	2.4
184.87228	1.5
191.05627	20.3
191.10822	3.1
205.07173	8.7
207.10164	1.9
209.11880	2.3
221.11729	2.4
225.11412	1.3
233.06659	18.2
251.12878	2.4
293.08798	7.2
327.21707	2.5
330.83557	1.4
366.44827	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	461.1664
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
52.97074	0.5
57.03439	1.0
58.00588	0.8
58.38371	0.5
58.62074	0.6
59.01378	29.8
60.25391	0.7
61.98823	1.7
69.03455	1.4
71.01378	17.5
71.13423	1.5
72.99304	2.1
73.02946	17.1
74.24856	0.7
75.00854	1.0
81.03458	1.0
83.01385	1.9
85.02953	7.1
86.00087	2.0
87.00882	10.0
87.04498	3.1
89.02448	10.0
93.03436	0.6
96.95982	2.0
97.02968	1.2
99.00900	0.7
100.03538	0.6
101.02441	13.7
103.04015	4.2
107.05032	0.6
109.02959	1.4
109.37791	0.6
111.00877	1.6
111.04601	0.6
113.02435	3.3
115.04002	5.6
119.03497	4.0
123.04541	4.3
125.02432	2.1
127.03983	1.1
131.03491	10.0
135.02983	1.3
135.04523	32.0
136.04848	1.6
137.02454	0.7
138.05632	2.8
143.03494	12.5
145.05069	2.0
153.05566	2.2
153.72571	0.6
155.03337	0.6
163.06071	4.5
167.07033	0.6
205.07184	10.0
221.11436	0.6
253.01921	0.6
315.10825	2.3
425.70383	0.7
426.76315	0.6
461.16656	100.0
462.17093	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	461.1663
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
56.70378	0.2
59.01380	0.9
70.25349	0.2
70.49567	0.5
70.49895	0.4
71.01389	0.6
73.02942	0.3
84.93006	0.3
87.96507	0.2
93.03470	0.6
95.05028	0.7
95.30746	0.2
98.19931	0.3
101.02454	0.4
103.04058	0.3
108.02214	0.3
118.92313	0.3
122.03746	0.8
123.04522	73.7
124.04834	3.1
125.02419	0.4
135.04500	0.3
137.02409	0.5
142.43585	0.3
150.96342	0.3
153.05569	100.0
154.05896	4.2
207.63571	0.3
362.22015	0.3
394.30536	0.3
461.16797	2.6
462.16843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20912	1.9
55.05936	2.3
57.84751	2.0
59.01106	2.6
59.01378	33.5
60.99291	5.8
61.98835	3.2
63.68493	1.9
69.21059	8.7
69.21478	10.2
71.01382	12.2
73.02937	3.1
85.02961	4.8
87.00871	4.0
88.00406	6.3
88.04018	4.0
88.98803	32.2
89.02441	94.1
93.03482	3.5
95.01386	2.0
101.02435	7.3
109.15380	1.8
113.02433	4.0
115.79713	2.1
115.96156	1.9
119.03487	2.1
125.02423	4.5
126.24171	1.8
128.03609	2.1
131.70744	1.8
135.04459	2.4
137.02397	3.4
161.02396	2.9
220.03806	2.3
223.06139	2.8
227.89404	2.0
253.07144	3.9
255.02974	85.9
256.03448	9.9
268.03668	5.5
269.04532	22.3
275.35831	2.1
283.02481	60.6
283.05573	2.3
284.03192	39.8
285.03683	5.2
297.04037	55.2
298.04797	62.7
299.05579	100.0
300.05905	10.6
341.06628	4.9
428.97964	2.1
446.08487	4.8
461.10837	94.6
461.24005	34.9
462.11365	14.0
462.23981	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	461.1301
Annotation	saccharumoside D
Peak:m/z	Relative Intensity
50.55856	1.7
54.57724	1.7
57.81464	1.7
57.86612	1.9
59.01373	12.1
61.98819	5.5
69.03455	12.3
71.01375	14.2
71.05196	2.7
72.25899	2.0
72.66264	1.6
73.02946	5.9
75.00882	2.5
79.01900	9.4
81.03476	2.2
83.01357	2.5
85.02930	6.3
89.02448	10.8
95.01385	2.0
96.96023	13.0
97.02953	9.8
99.00886	15.8
101.02448	12.2
107.01392	19.8
108.02171	6.6
109.02955	8.3
113.02450	8.0
121.02950	8.6
123.00853	6.2
123.04475	4.4
125.02441	17.0
131.03505	2.6
135.00854	13.2
137.02441	8.9
143.03485	2.6
149.02385	2.6
151.00389	14.4
152.01140	1.8
153.01903	9.9
153.05609	3.6
155.03471	4.4
161.04514	3.3
162.03252	1.8
163.03992	3.3
166.02711	82.4
167.03496	100.0
168.03729	4.1
168.06633	2.4
177.01845	6.1
181.04971	2.2
191.03488	6.2
191.05533	2.3
193.03519	4.1
195.68228	1.7
199.02357	2.3
209.04546	7.2
221.04539	4.0
297.06082	5.4
311.07672	5.9
329.08755	17.8
336.64267	1.8
345.53595	1.8
355.08813	2.1
429.10321	16.4
461.12769	43.6
462.13434	5.5
478.22845	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	461.1302
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
50.38778	0.5
51.13341	0.5
53.91206	0.5
55.01872	1.3
59.01376	8.2
61.42497	0.5
61.98831	6.9
62.41930	0.6
69.03450	12.0
69.86946	1.6
69.87357	1.4
71.01380	17.5
73.02948	5.8
75.00877	1.5
79.01885	9.9
79.02317	0.8
81.03436	0.8
83.01387	1.5
85.02943	6.1
89.02444	5.8
95.01395	4.1
96.76682	0.7
97.02962	7.0
98.19930	0.6
99.00885	12.0
101.02444	7.8
107.01384	24.3
108.02178	12.0
109.02959	3.8
113.02456	7.7
121.02959	1.1
122.03727	0.8
123.00873	4.0
125.02438	13.6
131.03535	1.1
133.59863	0.6
135.00880	68.5
136.01215	2.8
137.02388	1.1
143.03505	1.4
145.02995	0.6
151.00340	3.5
152.01151	23.9
153.01891	2.9
159.02965	1.2
161.04549	10.2
163.04022	1.7
165.01863	0.7
165.05711	0.7
166.02707	16.3
167.03485	100.0
168.03911	3.5
177.01936	1.3
188.27251	0.6
191.05594	2.0
207.10236	1.1
209.04593	1.5
225.11348	1.4
293.08740	0.9
311.07712	1.0
315.07184	2.8
329.08765	18.5
330.08969	0.9
429.10330	27.3
430.10648	2.5
461.12961	44.2
462.13495	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	460.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75777	2.3
56.00210	1.9
56.08098	2.2
61.98829	100.0
70.64001	6.3
72.49354	2.2
89.42860	2.1
96.95992	2.9
106.92909	2.4
108.24123	2.2
226.79179	2.7
267.10809	2.1
318.77319	2.4
349.49368	2.6
409.65747	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57260	0.9
53.32343	0.8
57.03445	1.5
59.01377	8.8
60.01712	1.3
60.24296	0.8
61.98820	3.7
71.01368	3.1
72.99295	1.1
73.02932	0.9
83.01375	1.1
85.02948	2.6
89.02424	2.1
95.01408	0.8
101.02404	2.0
113.02492	0.9
125.02454	2.5
129.01888	1.5
137.02426	1.8
151.00349	3.9
153.01949	1.1
157.68471	0.9
164.65840	1.1
171.04431	1.2
175.04031	1.2
179.03531	1.0
183.04512	1.0
191.03465	1.1
192.03854	1.1
193.03847	1.0
199.04010	6.0
201.01764	1.1
203.03419	1.1
215.03545	4.8
222.23122	0.9
225.01863	0.9
225.11424	1.3
226.02731	1.0
227.03528	7.9
230.41772	0.9
241.05093	1.5
242.02222	9.7
243.02963	47.6
244.03314	3.4
255.02983	4.0
256.03360	1.0
257.04559	14.3
257.07291	1.5
257.08231	1.3
258.04953	1.9
261.68173	1.0
270.01675	12.3
271.02460	55.9
272.02917	3.6
281.17465	1.5
285.04019	26.4
285.76550	0.9
286.04697	8.0
299.01999	18.8
299.05264	1.3
300.02652	13.7
301.03107	1.8
314.04294	55.6
315.05023	36.2
316.05356	2.7
338.62677	0.9
357.06253	1.1
417.76123	1.1
453.00479	0.9
461.10855	100.0
461.24005	4.3
462.11151	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	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
52.10379	0.2
67.63113	0.2
69.12245	2.3
98.19834	0.5
105.37603	0.2
107.05028	30.6
108.05353	1.1
133.72998	0.2
147.08134	0.5
163.11284	100.0
164.11601	5.3
238.09943	0.3
265.12512	0.3
280.14716	0.6
283.17029	24.9
284.17389	2.6
295.17010	14.0
296.17358	1.5
398.11728	0.2
416.89990	0.2
459.29025	69.1
460.29391	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	459.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63299	1.1
59.01384	1.8
61.98854	1.3
70.67828	3.4
72.99295	11.6
73.02943	4.7
75.00872	72.9
82.79575	1.0
97.17939	1.0
121.08212	1.2
125.02456	1.2
139.05704	1.2
152.79378	1.2
152.99609	2.0
167.17072	1.0
212.64375	1.1
326.63260	1.2
336.76062	1.3
435.50931	1.5
459.36890	100.0
460.37366	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	460.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99960	0.1
57.03431	0.2
58.89679	0.1
59.01379	7.8
60.01723	0.4
61.98828	1.4
69.15120	1.4
71.01390	1.0
72.99296	0.3
73.02984	0.3
85.02959	1.2
86.03246	0.1
87.00881	0.3
89.02442	1.0
97.03004	0.2
99.00883	0.2
101.02456	0.7
104.73066	0.1
108.02199	0.4
109.02961	0.3
109.98699	0.1
113.02447	0.3
117.03502	0.2
119.03473	0.3
119.05033	0.3
121.02959	2.3
123.04546	0.2
125.02409	0.2
129.01981	0.3
131.03470	0.2
133.02971	0.8
135.04515	0.8
136.05299	3.0
137.02446	0.3
145.02951	0.5
147.02975	0.3
151.02744	6.1
151.03996	0.3
152.01158	0.4
152.03070	0.3
153.01917	0.2
161.02432	2.1
161.04507	0.3
166.05087	100.0
167.05453	4.3
179.03467	0.6
179.05717	0.2
183.01689	2.3
191.01906	0.2
208.06219	0.2
225.11279	0.3
259.57993	0.1
277.37170	0.1
281.06656	0.2
281.17639	0.2
291.59070	0.1
315.07217	0.3
460.14548	5.1
461.15436	1.5
461.24176	0.3
463.21478	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	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01724	1.1
60.67539	0.4
61.98831	4.6
69.03457	0.5
71.01381	5.9
72.99313	3.0
73.02936	0.5
85.02925	2.1
89.02445	7.6
93.47315	0.4
97.66080	0.4
98.19893	1.4
101.02435	2.8
109.02951	0.6
113.02436	2.3
119.03489	3.9
121.02989	0.9
123.04527	0.5
125.02467	0.9
135.04575	1.0
137.02388	0.6
143.03485	1.1
151.00420	0.6
151.04044	0.5
159.04518	0.5
161.02486	0.5
161.04558	1.4
165.01926	0.7
169.01482	0.5
179.05589	2.4
209.37715	0.4
223.13280	0.7
261.12195	0.5
336.13040	0.9
371.15417	0.7
385.13269	0.6
386.70111	0.5
399.24097	0.8
459.19128	3.4
459.25766	0.6
473.41251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06615	0.4
58.00574	0.6
59.01377	100.0
60.01707	1.3
61.98829	5.4
69.40517	3.0
71.01382	7.0
72.99325	0.8
73.02937	1.4
83.01395	1.0
83.90611	0.4
85.02942	2.7
89.02446	6.5
90.04020	0.4
93.38794	0.5
95.01395	0.5
97.02997	0.5
99.00917	0.6
101.02442	5.9
101.06135	0.4
107.01446	0.6
109.02959	0.6
113.02470	3.8
119.03524	2.3
120.21982	0.4
125.02422	2.0
137.02448	0.7
151.00378	1.0
154.51070	0.4
159.02977	0.4
161.04530	2.8
168.00769	0.4
169.01408	1.7
178.99821	0.7
179.05643	1.4
187.68105	0.4
198.84900	0.5
223.13470	0.7
234.75316	0.4
258.63327	0.5
317.03101	2.8
318.03351	0.4
341.38785	0.4
371.66367	0.4
399.23813	2.3
417.25052	1.9
423.22260	5.8
424.22800	0.7
449.07504	0.5
459.20901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36452	0.3
59.01378	100.0
60.01716	0.8
61.98832	2.5
69.44910	2.1
71.01382	7.4
73.02956	1.3
83.01367	0.6
85.02971	1.2
87.00893	0.7
89.02441	7.1
89.02949	0.6
95.01434	0.6
99.00893	1.0
101.02439	4.6
113.02458	2.8
119.03504	4.0
125.02474	0.6
128.99826	0.3
141.59975	0.3
143.03513	1.0
149.04543	0.8
161.04558	2.6
179.05608	2.4
201.11339	0.4
399.23856	3.3
400.24463	0.6
417.24664	0.5
459.21649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
57.03441	0.4
58.00600	0.4
59.01380	100.0
60.01721	0.8
61.98837	3.1
64.92002	0.2
65.00323	0.3
67.01937	0.4
71.00735	0.7
71.01377	4.8
72.99320	0.6
73.02943	1.1
81.03471	0.3
83.01403	1.1
85.02964	2.6
87.00901	0.4
89.02445	4.1
95.01393	0.7
97.02947	0.3
99.00880	0.4
101.02439	3.6
107.01389	0.7
109.02967	0.9
111.00867	0.4
113.02468	2.7
115.34581	0.2
119.03524	1.5
119.05046	0.3
121.02919	0.3
123.00871	0.9
125.02442	4.6
125.03321	0.4
127.04046	0.3
129.01917	0.6
131.03526	0.3
137.02464	2.1
139.00320	0.3
143.03528	0.3
145.02965	0.3
151.00368	2.6
153.02075	0.3
159.03012	0.4
159.04655	0.3
161.04556	2.8
163.00388	0.3
165.01932	0.4
167.03542	0.2
168.00623	0.2
168.04286	0.3
169.01405	3.4
178.99873	1.1
179.05632	0.9
183.04500	0.4
187.09825	0.4
199.74982	0.3
223.13559	0.5
271.02585	0.7
271.05997	0.4
279.05182	0.5
289.07077	0.3
291.18274	0.6
307.04605	0.3
317.03058	5.2
318.03421	1.0
334.60666	0.3
351.59610	0.3
399.23892	3.2
423.22293	2.6
449.07388	0.8
459.16330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03430	0.7
59.01378	19.5
61.98827	3.7
63.75884	0.4
66.60887	0.4
69.03451	2.0
69.21879	0.8
69.22298	2.3
71.01378	5.2
71.05019	0.8
71.14362	0.4
73.02921	1.0
79.59861	0.3
80.33916	0.3
83.01381	0.6
83.05019	0.6
85.02942	1.3
85.06589	0.6
87.00890	0.6
89.02435	4.9
90.02808	0.4
95.05017	0.7
99.00809	0.6
101.02440	6.1
109.02956	0.5
109.06588	0.6
111.08204	0.3
113.02457	2.9
119.03509	1.6
122.55453	0.3
125.02434	0.6
125.09747	0.5
135.11601	0.4
141.09157	0.5
143.03415	0.4
146.11398	0.3
149.04469	0.5
149.09688	0.3
153.09212	0.5
160.66422	0.4
161.04539	2.3
167.10770	3.3
169.01373	0.6
176.46968	0.3
179.05563	0.7
179.10753	1.4
179.14400	2.9
180.14828	0.3
191.13889	0.4
195.13901	10.5
196.14232	0.4
205.12320	9.2
206.12735	0.7
223.13379	100.0
224.13727	6.4
235.08257	1.0
253.09265	16.8
254.09622	0.9
317.02951	0.4
325.09668	0.9
383.05066	0.3
459.22406	3.3
475.86456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03448	0.3
58.00581	0.3
59.01379	11.5
61.98825	1.7
69.03455	2.1
69.04084	0.2
69.28349	2.0
71.01376	4.3
71.05018	0.7
73.02937	1.1
78.47990	0.2
83.01376	0.3
83.05016	0.5
85.02943	1.0
85.06580	0.6
87.00864	0.6
89.02444	4.4
93.03429	0.3
95.01412	0.3
95.04987	0.6
97.06582	0.3
99.00869	0.7
101.02444	4.8
103.20428	0.2
109.06580	0.4
110.38815	0.2
111.09581	0.2
113.02444	2.2
119.03495	1.1
123.08130	0.2
125.02390	0.4
125.09681	0.3
132.15715	0.2
133.05045	0.3
135.11739	0.3
141.09241	0.3
143.03502	0.3
149.04512	0.3
149.09769	0.7
161.04565	2.1
165.12808	0.3
167.10783	3.3
177.12839	0.4
179.05621	0.5
179.10808	1.1
179.14391	3.2
180.14857	0.2
181.16389	0.2
195.12061	0.3
195.13892	9.5
196.14178	0.8
205.12321	9.6
206.12634	0.9
223.13380	100.0
224.13710	6.7
235.08200	0.8
253.09279	15.2
254.09621	1.0
317.02939	0.2
399.23840	0.5
401.08731	0.2
459.22275	3.3
459.28345	0.3
460.22345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.7
60.90014	1.0
61.98822	7.2
71.01379	2.2
71.50181	1.5
73.02949	43.6
74.03294	1.1
92.95953	1.1
98.90923	1.4
99.00858	5.5
115.04026	6.0
116.92858	7.3
117.01943	100.0
118.02269	4.3
131.01997	2.2
140.54919	1.4
158.04578	3.6
159.02948	9.1
165.05598	2.4
201.02473	1.5
203.02328	1.4
203.99844	1.7
236.77122	1.4
238.06668	1.3
241.02080	4.2
273.03046	1.3
287.04520	1.7
371.03119	2.0
373.30298	1.3
399.09961	1.6
423.04099	2.8
459.14996	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	459.1506
Annotation	Paeonolide
Peak:m/z	Relative Intensity
50.99006	0.7
51.52958	0.7
55.01871	1.8
57.03442	3.9
58.00569	0.7
59.01382	20.6
60.87313	0.6
68.64915	0.6
69.03454	1.4
71.01382	25.8
71.27184	1.1
72.99310	4.4
73.02956	1.2
75.00871	29.3
80.86393	0.6
83.01387	2.8
84.02166	0.6
85.02945	28.4
86.03316	0.8
87.00876	9.1
89.02455	8.3
95.01392	3.6
97.02946	1.0
99.00872	10.1
101.02449	5.3
103.00382	0.7
111.00822	0.8
112.01672	0.8
113.02445	29.7
115.00356	2.5
117.01929	1.4
119.03510	2.5
129.01927	0.9
131.03542	1.7
157.01363	1.3
164.42723	0.6
173.04538	4.1
175.02438	3.0
191.05478	0.6
193.03513	0.7
352.45157	0.7
399.13379	0.8
441.14053	1.3
459.15048	100.0
460.15402	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03446	4.5
59.01382	22.6
69.03440	0.9
70.12148	0.7
71.01380	24.3
71.01781	1.2
71.10522	0.7
72.99308	4.6
73.02941	1.9
75.00871	27.5
83.01390	2.7
85.02948	30.8
87.00874	8.6
89.02438	9.2
89.67724	0.7
95.01379	3.0
97.02914	0.8
98.19874	2.0
99.00880	10.7
101.02445	6.0
103.00336	0.8
113.02448	28.2
114.02840	1.1
115.00361	3.1
117.01944	0.9
117.79415	0.9
119.03490	2.9
129.01959	1.1
131.03485	2.3
173.04541	3.5
175.02452	3.0
191.05562	0.8
231.03819	0.7
399.12878	1.2
441.14078	1.0
459.15057	100.0
460.15451	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03439	3.5
59.01376	18.8
60.21984	0.9
61.98833	5.8
66.23482	0.8
67.73121	0.7
71.01395	4.5
71.01745	0.8
71.52370	1.1
72.99304	6.0
83.01379	1.1
85.02949	22.9
89.02419	1.4
101.02423	1.9
103.05572	1.0
107.01376	1.3
109.02914	0.9
109.20139	0.7
119.05015	2.4
121.02950	6.3
123.04483	1.3
125.02404	1.1
129.01962	6.9
137.02443	1.6
138.71419	0.8
145.02931	1.4
147.03064	4.4
147.04475	4.0
149.02403	2.8
151.00351	5.8
151.04048	0.8
163.03978	1.6
165.01959	1.4
167.03542	1.1
173.00899	1.4
177.01930	7.7
190.02751	2.4
191.01997	6.7
191.03493	100.0
192.03818	6.3
209.51453	0.8
224.22363	0.9
251.05525	1.6
297.07663	41.1
298.07947	4.5
304.30603	0.8
313.05658	4.9
366.87930	0.8
459.12936	1.1
459.18808	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	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03702	0.3
57.03440	0.8
58.02989	0.3
59.01381	9.1
61.98834	3.6
65.00320	0.5
69.50805	0.9
69.51211	1.0
71.01379	2.1
72.99312	1.4
73.02952	0.4
81.03442	0.5
83.01391	1.1
84.02173	0.4
85.02956	8.0
89.02448	0.6
97.02993	0.4
98.19854	0.5
101.02442	1.0
103.05543	0.8
105.03458	0.9
107.01395	1.7
109.02955	1.3
110.03286	0.3
111.00886	0.8
113.02444	0.4
116.92879	0.5
119.05041	1.3
121.02947	1.7
123.00882	0.9
123.04525	2.2
125.02441	1.5
129.01974	2.1
133.02972	0.8
134.03717	0.5
135.04527	1.2
137.02422	0.6
139.00345	0.4
145.02945	0.5
147.03018	1.4
147.04520	5.4
149.02441	3.4
150.54718	0.3
151.00368	7.2
151.03995	0.4
152.00861	0.4
155.23837	0.3
161.02440	2.4
161.04535	0.6
161.05951	0.5
162.94405	0.3
163.04001	0.8
163.07617	0.4
168.00633	0.4
169.01416	1.6
173.01022	0.4
174.01755	0.8
177.05589	0.3
179.03561	0.4
187.04022	0.4
189.05611	0.5
190.02734	0.9
191.03500	100.0
192.03848	5.9
199.79230	0.3
205.05022	0.6
216.79895	0.3
217.15988	0.9
251.05644	1.0
261.15024	0.9
289.07053	0.4
297.07681	28.7
298.08072	2.3
313.05560	1.4
353.08658	0.6
369.13474	0.8
370.13724	4.1
385.12714	0.3
459.12903	15.1
459.18829	6.5
460.13293	2.1
460.18695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.48158	0.9
64.73326	1.0
69.38107	1.0
70.79465	1.9
72.00904	1.2
73.02946	41.9
77.40005	1.0
89.02444	1.2
99.00887	5.4
117.01945	100.0
118.02271	1.4
118.05141	5.0
159.02969	1.2
233.77596	1.0
308.60333	1.2
324.55450	1.0
341.10843	1.1
403.24612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03445	13.9
59.01379	33.8
61.98833	7.3
62.39726	1.1
63.21865	1.0
68.99821	1.3
69.47887	8.4
69.48219	1.1
71.01385	8.5
72.12022	1.1
72.99310	18.1
75.00865	2.6
79.87000	1.1
83.01397	3.5
84.02169	2.5
85.02950	100.0
85.43102	1.1
85.51125	1.2
86.03302	2.1
87.00898	2.8
89.02454	2.6
93.03473	3.1
97.02948	1.6
101.02456	3.6
103.00394	2.3
109.02975	1.7
111.00877	2.2
113.02460	2.0
119.05012	5.6
121.02961	20.1
122.03245	1.6
123.00871	1.3
123.96956	1.2
125.02428	5.7
125.47387	1.2
127.04017	1.5
129.01942	26.8
133.06682	1.4
135.02954	1.4
135.04507	1.7
137.02441	7.1
137.80779	1.5
145.03021	5.5
147.03000	17.2
147.04471	3.0
149.02431	1.9
151.00371	2.5
151.07680	1.7
161.06088	1.4
163.03958	4.2
165.01897	3.3
167.03482	2.5
173.00943	5.1
177.01935	36.0
178.02258	1.9
179.03435	1.4
189.05615	2.8
189.71266	1.2
191.01950	33.6
191.03522	31.5
192.02316	1.9
199.02554	1.5
217.08669	1.8
229.08673	1.3
241.39061	1.1
251.05600	10.5
279.15845	1.7
281.06656	3.3
295.04544	3.8
297.07675	14.4
313.05643	23.7
314.05777	1.6
347.99142	1.1
367.11844	2.7
370.14041	1.7
385.12894	2.7
459.09201	2.3
459.18527	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	458.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
94.89548	18.4
102.55276	18.1
170.75659	18.0
229.57094	23.3
315.13440	19.4
401.07935	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	459.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01066	0.7
59.01377	13.4
61.98828	1.9
69.99209	0.5
71.01361	1.7
75.00865	2.3
89.02432	0.9
98.19907	1.6
110.95199	0.6
113.02506	0.6
121.02953	100.0
122.03277	3.7
151.00426	0.6
161.04572	0.7
169.01308	0.7
170.93040	0.5
179.05527	0.7
180.05859	1.2
181.06566	5.7
209.04512	1.1
225.05580	6.9
226.05797	0.7
313.07169	19.5
314.07495	2.0
317.03094	0.6
354.55954	0.5
357.06070	4.4
401.08746	62.1
402.09061	6.6
404.38589	0.6
461.90433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03447	17.5
59.01377	15.4
61.98816	4.2
65.74052	1.4
70.63315	1.3
70.87354	1.3
71.01373	9.7
71.52241	2.4
72.99326	8.2
73.02944	1.5
73.17397	1.3
75.00878	1.7
83.01382	3.2
84.02143	1.3
85.02949	100.0
86.03283	2.1
87.00861	2.0
93.03423	1.7
96.96003	1.3
98.20701	1.5
101.02444	1.5
105.08905	1.4
109.02940	1.9
111.00861	6.1
114.05981	1.2
115.00359	1.4
117.03439	3.1
119.05010	15.5
121.02953	38.0
122.03322	2.1
125.02492	1.3
129.01942	56.5
133.06622	3.7
135.04485	3.0
137.02322	1.5
145.02939	10.8
147.02995	20.7
161.06046	3.7
163.04019	19.3
166.05113	10.3
173.00903	11.8
189.05562	3.1
191.01971	20.5
216.43210	1.4
231.06564	1.6
251.05579	22.1
313.05679	16.4
334.53799	1.4
337.05594	2.4
365.53214	1.4
432.60764	1.4
459.17563	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	458.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60750	0.6
57.03426	1.2
59.01374	2.8
60.25626	0.6
61.98830	12.9
69.03451	0.8
71.01390	6.8
71.50805	1.3
73.02952	2.2
75.00874	2.8
81.03464	0.7
83.01350	0.9
84.04569	1.1
85.02964	5.8
88.04041	17.3
89.02458	0.9
89.37377	0.7
93.03469	0.9
95.01392	2.6
96.96001	0.9
99.00876	1.8
101.02447	1.4
108.02177	42.2
109.02968	33.1
112.04047	7.2
113.02451	3.8
119.05025	16.7
120.05357	9.8
121.02959	2.0
123.00882	1.7
123.04509	1.2
125.02420	1.1
130.05099	9.8
135.00854	0.8
151.03992	2.7
152.01154	58.9
153.01949	23.8
160.06131	1.1
161.04546	1.7
163.04012	10.2
164.04393	5.6
165.01939	2.2
165.05563	1.3
175.02487	0.9
259.97903	0.9
297.06143	4.5
315.07205	20.9
316.07568	1.7
428.11963	25.4
429.12415	3.1
458.13132	100.0
459.14050	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03432	1.1
59.01380	100.0
60.01718	0.8
61.98833	7.4
62.90285	0.4
69.39400	3.6
71.01379	14.6
73.02950	3.9
73.04062	0.6
83.01396	1.2
85.02949	6.4
89.02448	5.1
95.01408	1.6
96.95998	0.5
99.00903	2.0
101.02438	10.0
108.02203	1.7
109.02985	1.5
111.00867	0.5
113.02459	7.0
113.03166	0.7
115.05191	1.3
119.03518	1.7
125.02470	2.0
130.08717	2.5
137.02402	0.7
143.03497	1.0
148.05339	1.0
152.01183	2.2
153.01973	1.2
157.13461	1.1
159.03006	1.9
161.04552	18.9
161.05896	0.9
162.04997	0.5
179.05656	1.1
182.55225	0.5
205.03505	0.7
222.37570	0.4
235.17078	1.2
235.76950	0.5
241.05145	1.8
242.05843	0.8
257.08197	2.7
270.21942	0.8
283.31857	0.5
295.09854	2.2
397.22275	8.5
398.22681	1.0
413.24020	4.4
457.16544	1.9
457.25574	1.1
458.10956	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	457.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60400	0.1
56.87202	0.1
57.02138	0.1
60.51251	0.1
69.97808	0.1
74.67436	0.1
99.92580	5.6
100.92671	0.3
100.93365	4.3
101.93386	0.3
115.92077	100.0
116.92083	5.2
116.92866	7.0
117.92635	0.3
132.92358	1.1
142.94408	0.3
155.95239	0.3
172.95462	5.4
173.95529	0.3
182.77386	0.1
192.72379	0.1
202.47128	0.1
203.51521	0.1
237.76285	0.1
283.23795	0.2
283.26401	0.8
305.08713	0.1
383.18915	0.6
399.18530	0.3
409.20517	0.8
410.20801	0.2
439.21606	0.2
457.22592	3.9
458.22824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	(-)-Tetrazomine
Peak:m/z	Relative Intensity
52.06582	0.4
56.79279	0.5
58.00580	0.7
59.01379	41.6
61.98837	1.0
69.03457	1.0
69.31462	4.6
71.01382	18.1
72.99302	1.0
73.02945	23.5
75.86948	0.4
83.01382	5.6
85.02940	2.3
87.00871	0.8
89.02438	8.2
89.06077	0.5
98.19917	1.0
99.00896	0.8
101.02440	20.1
101.99636	0.5
113.02439	4.6
119.03497	2.2
125.02455	3.7
137.60652	0.6
143.03470	0.9
149.04404	0.6
149.99603	1.1
161.04543	1.7
168.00624	2.0
169.01353	0.9
191.14322	0.7
207.17531	2.4
235.16975	4.4
248.79967	0.5
253.18085	8.4
254.18439	0.6
359.97617	0.5
397.22330	1.5
415.23328	20.6
416.23483	2.4
457.24390	100.0
458.18167	1.1
458.24710	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60107	0.6
55.01871	1.3
57.03441	1.1
58.00582	0.9
59.01378	75.1
60.01711	0.9
61.98833	1.9
69.03457	0.9
69.61687	3.5
70.57549	0.5
71.01381	35.9
72.01699	0.5
72.99305	2.1
73.02946	36.8
74.03303	0.9
74.99847	0.6
75.00856	0.7
81.03461	0.8
83.01377	6.3
83.01739	0.5
85.02950	6.5
87.00891	2.1
89.02441	37.9
90.02789	0.8
95.01404	2.4
95.97955	0.6
97.02931	1.6
98.19922	1.3
99.00880	100.0
100.01243	1.6
101.01790	1.3
101.02445	24.5
102.02802	0.8
108.02180	7.6
109.02982	3.6
111.00896	0.9
113.02453	16.4
114.02846	0.6
119.03516	3.9
123.00902	0.8
123.04542	0.6
125.02438	5.8
127.03963	1.2
131.03510	11.5
131.44009	0.6
137.02443	2.1
143.03481	4.2
149.04555	31.1
152.01151	5.2
153.01918	1.9
155.03529	3.2
161.02467	0.7
161.04547	10.4
162.02350	0.8
163.03987	2.7
164.03522	1.6
168.00623	1.3
191.05611	39.4
192.05933	1.8
203.05602	15.6
230.14989	0.7
233.06664	4.6
251.30045	0.6
257.08401	0.7
289.07071	0.7
308.16852	0.6
415.16113	7.7
416.16586	1.3
457.17334	17.0
458.17627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03452	5.8
59.01378	15.4
61.98826	1.4
63.75916	0.6
67.01884	1.2
68.99803	0.9
69.03457	1.0
71.01381	29.7
71.51053	0.8
72.99306	6.2
73.02949	5.4
75.00871	30.7
81.03455	2.0
83.01388	5.0
83.04983	0.8
85.02947	35.5
86.03275	0.9
87.00880	11.2
89.02463	3.5
93.03458	1.1
95.00023	0.6
95.01376	3.5
97.02934	3.2
99.00878	13.7
101.02439	8.8
103.00376	0.7
108.02176	2.9
109.02943	5.7
111.00992	0.7
111.04517	2.9
112.01711	0.8
113.02448	31.8
114.02734	1.3
115.00390	3.1
117.01915	2.1
119.03516	0.6
121.02999	0.8
123.04475	0.7
124.01610	0.9
125.02438	2.5
127.04024	1.1
129.01952	1.6
137.02391	1.0
141.05569	0.7
149.02408	1.6
152.01134	2.6
153.01898	0.9
154.08704	0.6
155.03468	2.5
157.01476	0.9
159.02994	0.6
161.02452	12.8
161.04558	2.1
162.02838	0.7
164.04668	0.6
170.01816	0.8
173.04536	0.9
175.02444	3.5
179.05632	0.7
185.04570	3.3
187.06068	1.8
187.61559	0.6
199.02470	1.2
203.05588	1.0
223.06120	1.6
231.05092	9.0
258.88278	0.6
263.55975	0.7
279.14426	3.2
315.06973	0.9
395.15475	1.4
455.11880	6.8
455.17648	100.0
456.12164	0.8
456.18033	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	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68933	0.3
51.02353	0.4
57.66520	0.3
58.62846	0.3
59.01368	1.0
61.44324	0.3
61.98829	100.0
70.49081	0.8
70.49438	0.5
71.01398	0.5
73.02948	0.3
83.49954	0.3
89.39243	0.3
97.02946	0.3
105.64930	0.4
107.68433	0.3
108.02155	0.5
109.02951	1.0
125.02448	0.9
137.02469	0.4
145.76984	0.3
152.01154	0.8
153.01942	0.7
155.03545	0.3
169.01451	0.7
231.05045	1.0
232.05417	0.8
277.61795	0.3
394.29156	0.4
456.12314	1.2
457.17294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	1.4
59.01381	17.0
61.98827	29.7
71.01369	5.1
71.52508	2.0
73.02917	1.5
78.95905	49.3
89.02431	2.2
96.96941	3.5
100.42168	1.5
101.02426	2.4
101.67643	1.2
103.03989	3.5
109.02974	2.1
123.04512	2.3
125.02431	3.3
151.04027	1.8
152.99582	53.6
161.04588	1.6
165.12827	23.8
171.00624	9.5
178.02702	2.6
183.13887	93.8
183.41547	1.1
184.14197	5.0
209.11821	2.3
213.28845	1.4
227.03310	3.8
227.12881	39.8
227.15132	2.0
228.13286	2.0
245.04344	1.7
249.56625	1.4
289.07077	1.3
293.14166	1.4
363.12399	2.9
437.15674	3.9
455.16821	100.0
456.17215	10.6
463.19614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.9
59.01381	8.0
61.98828	4.7
69.03448	2.1
71.01389	1.3
72.33914	1.2
81.03456	4.9
83.01382	10.8
85.02971	1.3
89.02433	1.6
93.03452	3.6
95.05029	3.9
97.02952	6.4
98.19884	3.5
100.35277	1.2
109.02940	26.4
111.00879	2.1
117.03481	1.5
119.54617	1.3
121.02955	3.7
122.03719	2.7
123.04523	16.5
125.02445	100.0
126.02792	2.5
135.04509	3.0
137.02443	69.8
138.02791	2.4
139.03999	3.5
145.02960	24.3
146.03690	4.4
149.02440	14.0
150.03178	5.2
151.04004	15.5
157.06569	1.7
159.04512	11.8
161.02457	4.4
161.06079	9.3
162.03180	1.8
164.01207	1.6
165.01944	4.8
165.44621	1.1
167.03502	2.1
173.06145	1.3
175.03993	2.6
177.05518	1.5
179.03517	4.5
183.04425	2.1
185.06062	7.5
187.03969	7.1
188.04729	3.7
197.06206	1.2
199.07585	1.9
201.05511	5.0
203.07112	16.7
205.05032	6.6
211.04016	1.5
221.08185	2.6
221.49954	1.5
227.07123	5.3
229.05084	2.2
229.08659	1.6
245.08130	13.0
253.05089	9.4
271.06116	35.5
272.06430	4.0
289.07184	88.7
290.07565	8.0
305.13986	3.3
313.07050	4.8
346.84818	1.2
369.17111	1.6
393.13403	2.4
411.18185	3.0
455.16971	6.5
483.35526	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42566	0.9
55.01870	2.8
57.03444	6.0
59.01381	13.8
67.01854	0.8
69.03449	1.1
70.95972	2.4
71.01004	1.7
71.01379	29.2
72.99311	7.4
73.02938	5.0
75.00872	33.2
81.03450	2.0
83.01404	5.7
83.05035	1.0
84.61608	0.8
85.02950	36.4
85.56130	0.8
86.03288	1.6
87.00862	8.7
89.02462	4.9
91.55307	0.9
93.03465	1.1
95.01373	3.8
96.96944	1.4
97.02930	3.9
99.00871	10.6
101.02431	8.4
103.00323	0.9
108.02153	3.7
109.02969	6.1
111.00875	1.5
111.04503	2.7
112.01659	1.9
113.02444	30.8
114.02773	1.0
115.00360	3.2
116.52975	0.9
117.01987	1.4
124.01605	1.0
125.02460	1.2
128.61559	0.9
129.01962	1.2
141.05544	1.3
149.02411	1.9
152.01134	2.6
153.01755	1.1
155.03448	1.7
157.01466	1.4
159.02960	1.0
161.02428	12.8
161.04486	1.7
164.04733	1.2
173.04628	1.3
175.02461	2.8
185.04541	5.3
187.06136	1.7
199.02466	1.8
203.05429	1.7
213.11215	0.9
223.06049	3.0
231.05066	12.3
279.14340	2.0
437.16864	1.1
455.11884	6.4
455.17648	100.0
456.12326	1.8
456.18033	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01379	3.8
61.98828	3.6
66.20930	0.5
69.03468	0.6
69.71387	0.4
70.70151	1.4
71.01386	4.0
73.02938	1.4
75.00874	0.8
75.56233	0.5
78.95901	2.6
81.03460	2.1
83.01387	0.8
85.02950	4.6
87.00859	1.1
88.80695	0.4
89.02438	0.5
89.31771	0.5
93.03467	0.8
95.01353	2.8
96.96044	0.5
96.96938	0.6
97.02983	0.5
98.46277	0.5
99.00859	0.8
101.02451	2.0
108.02172	72.2
109.02962	50.7
109.04031	0.7
110.03288	1.7
111.00894	0.6
113.02445	2.1
121.02912	0.8
123.00868	2.9
123.04537	1.4
125.02391	1.2
135.00885	0.6
137.02463	1.2
151.04060	1.6
152.01151	65.8
153.01941	26.8
154.02261	1.1
157.08717	3.0
161.04610	1.1
163.03983	1.3
165.01877	1.7
165.04050	3.0
165.05244	0.6
174.03242	0.5
175.79617	0.4
187.07619	0.8
202.06375	0.5
209.11778	0.9
231.04974	0.5
231.10307	0.7
291.32632	0.5
302.76642	0.5
315.07108	2.1
321.53482	0.5
357.08850	1.8
455.15567	100.0
456.15970	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	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03436	1.7
59.01374	4.5
60.29716	0.6
61.98826	4.8
66.09401	0.5
69.03448	1.1
71.01392	3.6
71.50866	0.9
73.02938	1.7
75.00867	1.9
78.95906	5.0
79.01876	0.7
81.03480	1.7
83.01382	1.3
85.02958	4.6
87.00909	1.0
89.02435	1.0
93.03477	1.0
95.01372	3.0
96.96984	0.7
97.02940	0.9
99.00874	0.8
101.02437	2.3
108.02174	69.9
109.02962	50.0
109.03585	0.6
110.03294	1.7
113.02443	2.1
116.00784	0.6
121.02966	1.3
123.00860	2.6
124.36400	0.7
125.02444	1.8
127.04092	0.7
133.02908	0.7
135.04472	0.8
137.02480	2.0
139.04002	0.8
147.04504	0.7
149.02438	0.9
151.04041	2.1
152.01147	62.0
153.01955	24.7
157.08714	3.3
161.02402	0.8
161.04509	1.1
163.04012	1.5
165.01927	1.8
165.04027	5.9
175.03970	1.0
179.12044	0.6
187.07634	1.9
202.06250	0.9
209.11778	1.3
228.79086	0.7
258.12567	0.8
289.07132	0.6
307.11798	1.8
315.07217	2.6
332.52750	0.7
357.08853	2.0
417.15146	0.7
448.94916	0.7
455.15591	100.0
456.15833	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	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	9.4
59.01379	100.0
61.98818	29.3
69.44526	41.2
69.44949	31.7
71.01370	45.0
73.02943	17.5
85.02950	20.7
87.04525	38.7
88.09193	10.8
89.02444	30.1
92.05054	22.1
96.96008	10.7
101.02454	21.9
103.04024	65.1
109.02928	15.0
119.03463	14.6
161.04532	17.2
194.53711	10.4
313.69864	10.3
346.88727	10.6
404.63135	11.2
453.22891	46.8
454.23178	13.3
479.18021	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	453.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28772	12.9
59.01369	41.5
59.32524	10.8
59.61755	11.7
61.98834	100.0
63.99245	14.4
65.84447	11.0
69.52548	70.0
71.01411	13.9
82.44536	11.7
98.19865	14.0
101.02436	20.8
125.02463	15.0
127.04022	14.1
137.02449	21.5
250.03900	13.7
277.99741	14.9
329.11972	12.4
337.67877	13.7
453.22394	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
57.15823	0.5
59.01374	3.7
59.63629	0.6
60.15096	0.6
61.98829	100.0
65.34386	0.6
65.34774	0.5
71.00361	1.7
71.04987	0.6
76.60736	0.6
76.97502	0.6
78.95888	0.7
81.03468	1.0
83.01399	2.0
85.02954	0.6
93.03474	1.0
94.61770	0.6
95.05037	0.6
96.96009	6.9
97.02967	2.6
98.95622	1.1
101.02477	1.2
107.01416	0.7
108.02176	1.7
109.02946	9.5
111.04497	0.9
115.04008	1.3
121.02977	2.2
121.05315	0.7
121.38562	0.6
122.06199	0.6
123.04533	9.9
123.05378	0.9
124.01665	3.0
125.02434	6.7
127.03996	1.0
135.04533	1.6
137.02473	4.5
139.04024	2.6
145.02989	2.0
146.03705	1.2
146.06108	1.5
149.02463	2.9
151.04019	2.9
152.01195	2.0
153.01955	1.5
155.03534	1.8
159.04538	1.3
161.02496	1.1
161.04779	0.7
161.06039	3.1
162.03262	0.8
162.09299	0.6
163.04042	1.4
165.01955	2.1
167.03490	1.0
168.00652	4.1
175.04105	0.8
179.03563	1.3
183.02980	12.1
187.04037	1.6
188.04857	1.1
200.97977	1.1
203.07150	4.1
205.05042	5.5
210.93440	0.7
226.11668	1.1
245.08255	2.2
246.11398	1.0
247.06088	0.9
258.11517	0.9
271.06223	1.1
272.15024	0.6
286.10956	1.8
289.07172	13.6
335.44940	0.7
366.17108	3.2
392.19931	1.0
402.82437	0.7
410.16132	8.6
410.20947	1.0
411.16577	1.2
420.99585	0.7
454.05804	1.4
454.15002	7.9
454.19522	6.9
455.15292	1.7
455.20309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
82.44961	0.6
98.73484	0.6
144.31219	0.6
179.82722	0.5
213.17183	0.6
262.41888	0.6
309.46030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98828	100.0
80.96529	1.0
84.18510	0.4
85.35098	0.4
120.55694	0.4
171.10358	0.6
219.45155	0.3
229.02249	0.4
328.12451	0.5
359.43307	0.4
407.12720	0.4
420.79105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0983
Annotation	CHEMBL158521
Peak:m/z	Relative Intensity
57.03443	7.8
59.01390	5.4
61.98831	25.6
69.02736	0.7
69.03458	1.2
71.01373	1.6
71.51379	0.8
71.51777	0.9
72.99277	1.1
75.00851	1.3
78.95883	0.9
81.03455	4.2
83.01377	4.5
85.02948	2.5
88.70073	0.7
88.84750	0.7
89.02478	0.7
93.03448	3.2
95.01431	1.0
95.05023	3.7
97.02952	6.5
101.02419	1.0
107.01406	3.6
108.02204	2.5
109.02950	24.1
110.03265	1.1
111.00874	1.8
111.04546	1.4
121.02970	4.9
123.00868	1.8
123.04516	15.0
124.01669	24.2
125.02448	39.9
126.02798	1.0
133.02867	1.4
135.04527	3.7
137.02449	21.2
138.03003	0.8
139.00386	2.4
139.04015	15.6
140.01198	1.4
145.02962	7.6
146.03687	1.6
147.03001	2.6
147.04399	0.8
149.02435	5.1
150.03247	1.0
151.04012	12.0
152.01152	1.9
153.01949	2.6
155.03529	1.4
159.04494	5.0
160.05272	1.2
160.95654	1.5
161.02429	2.1
161.06053	6.8
162.03194	2.3
163.03973	1.5
164.01183	3.7
165.01939	10.3
165.04039	2.3
166.02440	0.9
167.03522	2.5
168.00639	33.8
169.01050	1.4
173.06062	1.6
175.04015	2.2
175.07635	1.8
177.05492	1.2
179.03508	7.7
183.02975	88.3
184.03311	3.0
185.06024	1.6
187.03984	6.1
187.07698	1.2
188.04819	3.5
190.02820	1.0
192.00586	1.3
201.05597	1.2
202.06360	3.0
203.03613	1.1
203.07138	11.3
203.63330	0.8
204.04134	0.9
204.07452	1.3
205.05048	7.6
207.02983	1.1
212.04750	0.8
221.08228	2.6
227.07068	2.6
229.05058	1.2
231.03081	1.3
231.10190	0.9
245.08157	17.6
246.08403	1.2
247.06042	0.9
253.05049	2.5
271.06113	9.1
273.07574	1.3
275.09033	0.9
289.07166	100.0
290.07532	7.8
305.06595	4.1
341.84415	0.9
381.06079	2.6
417.15652	1.0
455.09680	4.0
455.15518	4.9
456.09842	1.6
456.15894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77505	9.4
52.46642	10.4
59.01377	100.0
60.51488	9.5
61.98824	53.2
69.99780	9.2
86.59433	11.4
95.76587	10.1
98.20669	20.4
109.02988	11.7
125.02452	28.8
136.05357	10.4
137.02428	30.6
150.03181	23.0
151.03967	17.9
165.01884	22.4
171.10318	11.8
185.72450	10.4
229.17136	11.6
238.15297	13.0
238.39270	10.6
276.05600	12.3
287.05649	30.4
288.06110	15.8
289.07080	19.4
385.12967	23.3
392.29202	22.8
393.29535	14.1
453.21384	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.161
Annotation	CHEBI:79045
Peak:m/z	Relative Intensity
55.01866	0.8
57.03432	3.6
58.00581	1.5
59.01379	19.0
61.98806	2.4
68.99837	0.8
69.03453	1.1
70.98148	1.6
71.01009	1.7
71.01379	24.5
72.99311	4.3
73.02940	2.1
75.00871	27.1
78.95887	2.5
83.01379	2.4
85.02946	26.0
87.00870	8.0
89.02453	9.6
95.01390	3.9
96.95986	3.5
97.02938	1.3
99.00871	8.5
101.02444	5.7
107.01374	1.1
110.98501	1.5
111.00885	1.3
113.02447	25.6
115.00362	1.8
117.01913	2.1
119.03486	3.4
123.00858	3.3
124.01675	3.8
125.02457	6.5
127.03949	1.3
129.01923	1.0
131.03464	3.4
137.02486	2.0
139.00316	1.1
139.03972	1.5
145.01530	0.8
155.99681	0.8
157.01346	2.0
168.00520	1.0
169.01421	7.0
173.04507	3.4
175.02441	3.2
191.05492	1.4
313.05533	2.4
453.10281	15.6
453.16040	100.0
454.10718	1.7
454.16379	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
61.98811	0.3
71.49570	0.3
73.36576	0.3
77.62140	0.3
78.95904	20.3
85.91755	0.3
102.21560	0.3
115.10958	0.3
122.00106	0.7
129.13406	0.3
130.84087	0.3
140.01173	5.0
152.99593	1.9
158.47023	0.3
168.25423	0.4
196.03792	9.4
214.04822	2.0
222.13359	0.4
255.23289	100.0
256.23645	8.0
256.26321	0.5
288.84769	0.3
293.66058	0.3
336.50052	0.3
451.36163	0.3
452.27805	23.6
453.27966	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	453.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.01968	0.4
59.01363	1.6
60.71575	0.3
65.00320	0.5
67.01878	1.1
68.99809	0.5
69.03452	0.9
70.51035	1.2
71.01386	4.4
72.99307	0.5
73.02946	0.9
75.35433	0.3
79.01888	0.9
81.03449	0.6
83.01383	1.2
85.02958	1.8
87.00892	0.6
87.57315	0.4
95.01377	2.3
95.70509	0.4
97.02950	1.2
99.00871	0.7
101.02459	1.8
107.01397	7.9
109.02947	0.5
110.00082	0.5
111.00873	3.5
113.02441	1.5
123.00884	18.8
124.01669	20.2
125.02450	39.6
126.02767	1.1
127.00369	1.1
136.98836	2.1
137.02475	1.1
138.03197	1.3
139.00368	6.3
139.04012	7.8
140.01180	5.6
141.01894	1.0
149.02509	0.4
151.00356	8.2
151.04015	0.6
152.00964	0.3
153.01900	0.5
154.99918	0.5
161.02390	0.4
165.01990	0.4
167.03500	0.6
168.00642	7.3
169.01421	45.4
170.01733	1.9
179.03494	0.8
181.05115	0.6
183.02969	3.8
187.49191	0.3
195.02875	0.4
211.02444	1.0
214.52063	0.3
225.04050	0.4
241.03500	0.6
253.03555	0.5
271.04556	0.6
285.06131	0.7
297.06137	2.6
313.05637	9.7
314.05862	0.5
327.07193	1.7
453.10352	100.0
454.10690	12.6
454.15671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	99.4
61.98825	100.0
71.01350	23.5
71.51756	27.5
72.65169	17.5
73.71384	15.6
83.01345	27.5
96.95984	26.0
101.00813	17.9
109.02982	28.5
114.01845	17.9
125.02404	56.1
137.02420	51.1
138.02945	17.4
145.02998	18.1
165.01907	24.2
213.45869	18.5
287.05618	28.4
289.07111	23.3
347.25854	20.6
421.39825	21.3
430.77905	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12432	0.7
59.01380	4.6
61.01805	0.8
61.98830	100.0
63.55559	0.6
71.01405	1.0
71.50784	1.0
85.02975	0.8
86.80505	0.8
93.03427	0.7
98.85899	0.6
101.02426	0.9
106.20550	0.7
108.02186	1.5
109.02982	0.9
113.02512	0.7
123.00919	1.6
124.01676	1.8
125.02454	9.2
125.77654	0.7
126.02837	0.8
137.02472	1.4
139.00392	0.8
139.04059	2.5
151.00417	2.1
152.01123	1.4
153.01923	1.6
167.54114	0.7
168.00632	1.1
169.01418	10.0
181.96584	0.7
296.43622	0.8
313.05634	4.1
389.18124	2.1
452.09671	2.8
453.10269	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	452.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01376	2.3
61.98827	100.0
65.00320	1.7
66.00655	1.1
69.03434	0.4
71.01379	2.1
71.52238	0.5
72.99301	0.5
73.02959	0.4
75.00879	2.1
78.95921	0.4
81.03455	0.4
83.01408	1.3
85.02960	2.3
87.00865	0.5
89.02423	0.7
89.66458	0.3
95.01400	0.7
97.02962	0.4
99.00865	2.1
101.02449	1.1
107.01393	2.5
108.01720	1.0
109.01797	0.4
109.02939	0.8
113.02473	2.1
119.04996	0.6
122.06025	0.4
123.04525	1.0
124.01690	0.4
125.02480	2.7
126.02809	0.9
126.40252	0.3
127.02910	0.8
128.03229	0.5
131.50145	0.4
133.02931	0.4
137.02458	1.2
149.02338	0.4
150.03212	1.4
151.00369	8.3
151.03987	1.6
152.00662	5.7
152.04340	0.8
153.00751	3.2
153.02040	0.4
153.04410	0.4
154.01192	1.8
163.04037	0.7
165.01944	0.8
167.03532	0.7
175.02504	0.3
175.03938	0.5
177.01903	0.9
178.99843	0.9
179.03387	0.3
180.00209	1.0
181.00333	0.9
182.00626	0.4
285.04031	0.8
286.04340	2.8
287.04462	1.8
288.04871	3.4
299.10339	0.5
303.04947	0.5
304.05490	0.7
305.05627	1.1
306.05930	1.1
317.05316	0.6
359.24429	0.4
389.25308	6.4
390.25803	1.3
452.11786	2.1
452.17249	0.7
453.19534	6.8
453.24857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.98830	100.0
71.01387	1.0
71.50585	0.9
74.20665	0.5
83.01418	0.7
96.96037	1.1
97.02972	0.7
98.03263	0.5
109.02979	1.5
110.03293	0.9
114.15058	0.5
121.02979	0.8
123.00887	1.8
123.04526	1.7
124.01700	1.8
125.02449	3.7
137.02444	2.6
138.02827	0.9
139.00389	1.1
139.04015	1.2
149.02397	0.8
151.00400	1.0
151.03960	1.1
152.04359	0.8
153.01990	0.7
160.04951	0.6
169.01414	4.2
175.03935	0.7
176.04330	0.7
179.03493	0.7
183.02968	0.6
183.94029	0.5
203.07114	1.1
205.05095	0.7
229.42564	0.5
245.08043	1.0
246.08607	1.6
289.07114	3.9
290.07504	7.4
313.05743	1.7
329.63507	0.5
452.13086	2.5
453.10419	9.2
453.16534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98830	100.0
71.01397	1.0
71.50498	0.7
72.99352	0.5
84.21529	0.5
96.96013	0.7
109.02975	1.3
111.02014	1.0
123.00900	1.5
123.04544	2.4
124.01669	1.0
125.02444	4.3
137.02466	1.4
138.02794	0.7
139.00375	1.1
139.04048	0.9
151.00455	0.7
153.02005	0.7
168.00725	0.7
169.01405	4.3
174.09288	0.8
183.02931	0.6
214.17175	0.6
243.11545	0.7
246.08546	1.1
289.07336	1.9
290.07617	4.1
313.05487	3.6
370.57242	0.6
388.49908	0.6
417.14200	0.9
453.10352	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	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01381	2.0
60.73295	0.4
61.98828	100.0
62.98534	0.6
63.99276	0.7
69.03455	2.4
71.01390	0.8
73.63752	0.4
79.95755	0.8
81.03419	0.6
83.01386	0.7
85.02956	0.8
87.54728	0.5
89.02444	0.6
96.96011	12.6
97.02945	0.6
98.95611	0.8
99.00855	0.6
100.21544	0.5
101.02419	0.7
109.02957	3.5
110.03279	1.6
123.04533	1.1
124.04848	0.5
125.02458	3.9
126.02827	1.1
133.02986	1.0
135.04549	3.7
136.04886	2.0
137.02431	6.8
137.03392	0.6
138.02774	2.6
151.00401	0.4
151.04070	0.8
153.16814	0.5
159.04539	1.5
160.04883	0.8
161.02417	2.8
161.04680	0.5
161.06029	0.6
162.02843	1.2
165.01982	0.8
175.04057	0.6
179.03497	4.1
180.03984	1.1
185.00970	0.7
203.07161	0.6
204.03912	0.8
223.04741	0.6
269.08215	0.7
270.08557	1.9
289.07224	2.0
290.07431	3.0
387.93198	0.5
405.34805	0.5
452.06586	2.7
453.07913	0.7
453.76227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43675	1.1
59.01379	100.0
60.01695	2.4
61.98532	1.9
61.98830	24.8
65.00320	1.9
65.03382	1.3
69.39357	5.4
69.39782	3.7
71.01378	20.0
72.99307	1.3
73.02939	5.3
73.05029	1.1
77.56943	0.9
78.95894	1.3
79.95740	2.3
83.01402	3.0
85.02947	7.8
89.02438	7.5
95.01405	1.9
96.31388	1.2
96.96003	22.4
99.00882	3.3
101.02436	16.0
107.01370	3.0
109.02949	3.7
112.07378	1.1
113.02473	8.0
119.03503	2.4
119.05088	1.2
123.04488	3.4
124.01735	1.2
124.04884	1.2
125.02463	6.0
135.04495	1.4
137.02454	1.6
150.03145	2.2
151.00388	12.2
151.03889	3.3
152.00710	5.0
152.03511	1.2
152.18652	1.1
153.00827	4.1
153.01968	2.2
159.03059	1.5
161.04541	8.7
167.03505	4.5
229.18111	2.1
285.04056	1.5
286.04391	3.4
287.04581	4.8
289.07016	5.3
289.10681	1.3
341.10089	1.3
353.10147	1.4
361.21445	1.7
377.05801	1.4
382.08005	1.4
391.23346	52.8
392.23639	6.5
451.06638	1.5
451.16486	35.9
451.23203	1.7
451.25781	3.0
452.16693	4.2
472.48306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34885	0.1
58.02962	0.2
59.01370	0.2
61.98831	0.1
69.03438	0.2
69.23866	1.1
72.04523	0.1
80.05064	0.3
81.03456	9.1
82.03809	0.2
82.06622	0.2
83.01431	0.1
83.05025	24.6
84.05368	0.7
89.02396	0.1
93.03452	0.4
95.01408	0.1
98.19839	0.2
100.07662	0.2
101.02411	0.2
107.06132	0.9
108.02214	0.1
108.04559	0.8
109.02955	0.3
120.13139	0.1
123.00880	0.3
123.04543	0.2
124.01650	0.5
125.02457	1.3
125.07214	2.8
126.05604	0.4
135.04523	0.1
137.02454	1.2
139.00325	0.2
143.08273	1.4
149.99582	0.8
150.49883	0.1
154.02693	0.3
157.13495	0.2
161.02440	0.3
168.00641	1.5
169.01303	0.2
169.05104	0.2
175.03937	0.1
179.03474	0.1
203.07153	0.2
207.15019	3.2
208.13405	0.3
208.15329	0.2
224.17676	4.6
225.16074	11.8
226.16422	0.7
242.18755	1.6
243.19165	0.1
245.08228	0.2
250.15579	0.3
265.04965	0.1
268.16666	0.2
281.06747	0.5
289.07126	1.1
290.22314	0.4
307.24008	0.2
309.21829	0.4
324.26569	1.5
325.11945	0.1
331.06747	0.3
333.22937	4.4
334.23318	0.2
339.27597	0.3
341.29410	0.2
351.24008	1.0
367.27173	1.1
385.28088	0.2
406.30597	0.2
433.31818	5.1
434.32056	1.0
451.08640	2.4
451.32874	100.0
452.09717	0.3
452.33185	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	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52056	1.0
53.19882	0.9
55.01871	2.4
57.03441	3.1
58.00599	4.8
59.01380	100.0
60.01700	1.5
61.98830	68.1
62.64426	1.0
70.12122	1.0
71.01381	74.8
71.05007	1.1
71.33694	2.0
72.01696	1.8
72.99294	5.5
73.02949	23.8
75.00867	3.6
81.03442	1.0
81.47529	0.9
83.01385	7.8
85.02955	19.7
87.00883	4.8
87.04513	2.7
87.49393	0.9
89.02445	73.7
90.02759	1.0
93.03459	2.5
95.01397	6.2
97.02950	1.9
99.00878	13.0
101.02444	49.8
103.03991	4.1
107.01388	1.9
107.05000	2.2
108.02194	1.8
109.02950	3.0
111.00835	1.1
113.02451	31.9
114.02773	1.4
119.03510	32.4
119.04973	2.4
123.00865	4.5
123.04527	3.0
125.02446	17.2
126.02762	1.3
131.03485	4.6
137.02454	7.1
137.06151	1.9
138.05576	5.1
139.00357	1.4
143.03503	6.1
147.11781	2.1
148.04059	3.6
149.04527	10.1
151.00365	4.8
151.04033	2.5
152.01065	2.2
153.01945	9.6
155.03490	1.1
159.03008	2.0
161.04570	17.8
163.06395	3.1
164.06743	2.9
167.03452	1.5
168.00665	2.4
168.04297	2.4
169.01408	13.4
169.05078	1.4
172.87750	1.1
179.03784	1.3
179.05605	21.2
191.05545	5.2
193.07446	2.6
194.07753	1.8
201.15056	1.5
203.07074	1.4
205.05162	2.0
208.09839	6.9
209.10144	5.5
219.82219	1.0
233.06720	2.1
238.10818	2.8
239.11089	3.2
245.08095	5.7
269.04572	1.7
270.04871	1.9
271.05014	2.4
272.00610	1.1
281.06610	2.4
289.07297	6.8
289.10495	1.0
289.20218	44.8
290.20581	3.3
295.20773	1.0
313.05753	2.4
415.16098	11.4
416.16504	1.8
451.12173	24.4
451.18674	1.5
451.25470	47.9
452.12253	13.8
452.25693	5.9
470.67648	1.1
472.95374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52056	1.0
53.19882	0.9
55.01871	2.4
57.03441	3.1
58.00599	4.8
59.01380	100.0
60.01700	1.5
61.98830	68.1
62.64426	1.0
70.12122	1.0
71.01381	74.8
71.05007	1.1
71.33694	2.0
72.01696	1.8
72.99294	5.5
73.02949	23.8
75.00867	3.6
81.03442	1.0
81.47529	0.9
83.01385	7.8
85.02955	19.7
87.00883	4.8
87.04513	2.7
87.49393	0.9
89.02445	73.7
90.02759	1.0
93.03459	2.5
95.01397	6.2
97.02950	1.9
99.00878	13.0
101.02444	49.8
103.03991	4.1
107.01388	1.9
107.05000	2.2
108.02194	1.8
109.02950	3.0
111.00835	1.1
113.02451	31.9
114.02773	1.4
119.03510	32.4
119.04973	2.4
123.00865	4.5
123.04527	3.0
125.02446	17.2
126.02762	1.3
131.03485	4.6
137.02454	7.1
137.06151	1.9
138.05576	5.1
139.00357	1.4
143.03503	6.1
147.11781	2.1
148.04059	3.6
149.04527	10.1
151.00365	4.8
151.04033	2.5
152.01065	2.2
153.01945	9.6
155.03490	1.1
159.03008	2.0
161.04570	17.8
163.06395	3.1
164.06743	2.9
167.03452	1.5
168.00665	2.4
168.04297	2.4
169.01408	13.4
169.05078	1.4
172.87750	1.1
179.03784	1.3
179.05605	21.2
191.05545	5.2
193.07446	2.6
194.07753	1.8
201.15056	1.5
203.07074	1.4
205.05162	2.0
208.09839	6.9
209.10144	5.5
219.82219	1.0
233.06720	2.1
238.10818	2.8
239.11089	3.2
245.08095	5.7
269.04572	1.7
270.04871	1.9
271.05014	2.4
272.00610	1.1
281.06610	2.4
289.07297	6.8
289.10495	1.0
289.20218	44.8
290.20581	3.3
295.20773	1.0
313.05753	2.4
415.16098	11.4
416.16504	1.8
451.12173	24.4
451.18674	1.5
451.25470	47.9
452.12253	13.8
452.25693	5.9
470.67648	1.1
472.95374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.03452	1.4
59.01377	100.0
60.01725	1.1
60.99319	1.6
61.98829	29.4
63.99286	0.8
69.03472	1.3
69.79838	1.5
69.80255	2.3
71.01385	15.2
72.99319	2.0
73.02939	5.1
79.01911	1.5
81.03475	1.3
81.07143	0.6
83.01425	2.8
85.02950	5.8
87.00906	0.9
88.98803	10.0
89.02444	13.0
89.02934	0.9
93.03459	5.6
95.01399	3.8
96.91747	0.6
97.02975	0.7
99.00912	1.8
101.02442	12.2
105.44144	0.6
107.01380	5.2
107.75100	0.6
108.02174	12.4
109.02956	14.6
110.00137	0.8
111.00282	0.9
111.00875	3.8
113.02450	6.6
119.03510	5.0
119.05097	1.9
121.03003	0.7
123.00880	17.6
123.04574	0.9
124.01720	2.3
125.02437	21.9
126.02821	0.8
127.00418	1.0
135.00970	0.7
135.04572	0.7
136.98863	1.6
137.02455	9.0
137.03339	0.7
137.06116	1.0
139.00385	6.7
140.01167	4.2
141.02029	1.9
143.03575	0.7
151.00365	10.5
151.04120	1.1
152.01160	14.8
153.01926	20.5
161.02478	1.4
161.04660	2.7
167.03557	1.6
168.00568	3.1
169.01413	25.0
171.06656	0.9
174.68904	0.6
175.68298	0.7
178.04729	0.6
179.03615	1.3
179.05759	1.8
187.13428	3.2
195.03146	1.0
203.07268	0.7
211.02464	3.9
271.05002	2.5
273.00638	0.9
289.07315	3.6
290.07932	0.8
297.06131	3.6
313.05658	8.6
315.07657	2.8
331.17700	4.9
349.18628	13.2
350.19128	0.8
391.19543	4.3
407.09729	5.5
408.11200	0.7
451.13232	71.7
452.13391	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86373	0.4
57.03453	2.4
59.01379	4.0
59.10820	0.5
61.98830	1.2
69.03441	0.5
70.94444	0.7
70.94762	0.5
71.01375	2.3
72.99312	0.6
75.00878	0.9
81.03454	2.1
83.01380	3.0
85.02942	0.9
89.02448	3.0
89.91775	0.5
93.03442	1.2
95.01382	1.6
95.05035	2.5
96.09595	0.5
96.96007	0.7
97.02944	5.5
99.04523	0.9
101.02469	1.3
103.00402	1.1
104.13039	0.5
107.05021	1.5
108.02193	1.6
109.02950	21.5
113.02469	1.3
117.03447	0.5
119.03548	0.6
121.02949	2.8
122.03716	0.9
123.04520	16.1
125.02445	17.2
126.06170	0.6
133.02948	0.8
135.04517	1.9
137.02441	19.7
137.06122	0.5
138.03134	0.9
139.04034	3.4
145.02942	1.1
146.03743	0.5
147.04411	0.7
149.02454	5.7
151.04005	9.9
152.01178	1.3
153.01959	1.4
153.05565	0.5
157.06662	0.6
159.04497	1.7
160.05276	1.3
161.01028	1.1
161.02414	5.9
161.04820	0.7
161.06064	3.8
162.03098	1.3
163.03964	2.1
164.01140	3.4
165.01923	8.3
166.02391	0.5
167.03477	2.0
169.01442	0.8
173.06018	0.9
175.03981	1.9
175.07582	2.0
179.03534	6.6
179.05083	0.9
179.05592	0.8
180.04155	0.8
185.06050	0.7
187.04013	4.0
188.04745	4.0
189.01907	1.8
191.03525	0.7
195.06654	0.6
201.05582	0.8
202.06369	2.1
203.03406	0.8
203.07120	12.8
204.07542	0.6
205.05031	7.0
217.08807	0.9
221.08174	2.9
227.07080	1.7
230.05907	0.6
231.02866	0.9
245.08160	17.2
246.08482	1.8
247.06036	1.0
267.07346	1.2
271.06006	1.1
287.05591	1.2
289.07169	100.0
290.07474	9.1
313.07159	1.5
331.08267	0.6
405.21478	1.8
451.12933	7.6
452.12250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
58.06012	0.5
59.01380	3.6
61.57507	0.5
61.98832	1.1
64.21639	0.5
65.42548	0.4
67.02200	0.5
69.03471	0.6
69.61584	3.4
71.01382	2.3
75.00878	1.2
81.01235	0.6
81.03432	2.4
83.01391	2.3
85.02961	1.0
86.82732	0.5
89.02426	2.5
93.03439	1.6
95.05035	2.0
97.02946	5.4
98.19907	0.8
101.02442	0.8
103.00381	1.7
108.02170	1.2
109.02946	18.0
110.03303	0.7
113.02412	1.1
119.03504	0.7
121.02962	2.7
122.03719	0.8
123.00874	1.1
123.04528	11.2
125.02443	13.5
126.02837	0.7
133.02975	0.6
135.04498	1.7
137.02437	12.1
138.03273	0.6
139.04019	2.7
145.02908	0.8
146.03664	0.6
147.04544	0.5
149.02470	6.5
150.03249	0.6
151.03993	7.0
152.01123	1.2
152.04349	0.6
153.01952	1.7
159.04492	2.3
160.05205	0.7
161.00946	1.4
161.02460	2.6
161.06068	4.5
162.03171	1.7
163.03986	1.3
164.01169	2.9
165.01956	4.0
167.03506	2.3
169.01385	1.4
173.90536	0.6
174.03261	0.5
175.03992	1.9
175.07654	1.7
179.03511	5.7
185.06046	1.0
187.04010	3.2
188.04759	3.1
199.07741	0.7
201.05553	1.0
202.06377	2.6
203.03522	0.8
203.07137	11.1
204.07445	1.1
205.05075	7.4
206.01202	0.6
212.04800	0.7
217.05069	0.5
221.08163	2.2
227.07108	1.6
230.05844	0.8
241.05115	0.8
245.08177	16.0
245.10709	1.0
247.06006	1.2
271.06250	1.3
271.09811	0.8
289.07178	100.0
290.07477	8.5
313.07156	2.1
355.08090	0.6
375.76132	0.6
451.09189	2.7
451.22559	0.7
452.12158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98828	20.8
63.99268	0.9
69.20172	3.3
69.20592	1.0
71.01376	0.8
79.95740	0.7
83.01379	0.8
85.02944	0.8
89.02438	0.6
93.03472	0.7
95.05014	0.8
96.96016	20.6
98.20719	0.6
100.01164	0.6
100.89742	0.5
101.02460	0.7
101.52410	0.6
105.03506	0.7
108.02189	0.9
109.02953	25.6
113.02443	0.7
117.03496	0.8
118.96112	0.5
119.04990	0.9
121.02949	1.5
123.04525	10.8
124.04892	0.6
125.02461	2.5
133.02975	4.4
135.04533	2.3
137.02426	3.7
145.02943	2.3
147.04535	3.9
149.02444	0.8
150.03191	1.4
151.04008	6.5
152.00960	0.7
159.04507	1.9
159.05835	0.4
161.02444	7.9
162.03209	1.0
175.04063	1.2
176.01088	0.9
177.01933	21.4
178.02246	0.9
179.03476	1.6
187.03970	1.9
189.01929	51.1
190.02673	11.0
191.03484	11.0
197.11954	0.6
203.03490	6.9
215.12923	0.8
216.00635	7.6
217.01410	33.6
218.02071	3.1
219.02954	11.9
220.03244	0.9
231.02965	10.6
232.03601	1.4
233.04471	1.1
239.07236	0.7
241.94148	0.5
245.08217	0.6
247.19897	0.5
281.04550	0.7
289.07190	4.8
323.05554	1.3
341.06644	100.0
342.07037	11.7
451.10803	19.4
451.20364	1.0
452.10486	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	451.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.1
59.01369	6.2
61.98830	40.2
61.99159	2.0
63.99231	1.1
69.03452	1.8
69.47375	4.6
71.01379	2.4
79.95741	3.6
81.03455	2.8
83.01379	10.8
85.02954	1.4
87.67188	0.8
89.02435	2.2
93.03452	3.7
95.01417	1.1
95.05029	3.2
96.96008	79.7
97.02939	3.7
98.20640	1.1
101.02433	2.0
107.05050	1.7
108.02171	2.4
109.02948	51.0
110.03266	1.5
119.05020	1.1
121.02959	3.2
122.03742	1.3
123.04524	13.2
125.02442	52.6
126.02748	2.1
129.03435	1.3
132.02197	0.8
133.02957	16.4
134.03702	1.8
135.04523	56.3
136.04826	3.2
137.02438	100.0
138.02748	4.8
138.05658	1.4
139.04054	3.9
145.02922	6.6
146.03680	1.8
147.04524	8.0
149.02429	2.9
150.03143	1.4
151.00365	1.4
151.04036	9.6
159.04515	14.9
160.05051	2.0
161.02440	49.3
161.06033	4.9
162.02879	3.4
164.01126	3.9
165.01901	5.0
167.03447	1.6
171.04483	0.8
173.06033	1.2
175.02621	1.2
175.03987	6.1
175.07620	1.4
179.03490	50.4
180.03824	3.0
183.04515	0.9
185.06038	2.4
187.03993	5.2
188.04759	3.1
199.07718	0.9
201.05510	1.1
202.06396	1.9
203.03482	14.2
203.07066	9.5
205.05061	6.2
209.06129	0.8
211.90126	0.8
215.03575	1.1
221.08153	2.4
227.07063	2.3
229.05142	0.9
235.06346	0.9
245.08113	9.1
253.05157	1.4
267.06760	1.3
269.08179	27.7
270.08472	2.0
271.06073	3.9
281.08228	2.8
285.07883	1.1
289.07162	45.7
290.07480	4.3
297.07724	1.6
313.07071	1.2
315.11865	0.9
325.07178	1.4
341.06689	3.8
363.12302	1.2
391.22363	1.2
407.11246	2.2
451.06949	11.9
451.10831	5.1
452.06958	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
57.25014	0.5
58.00611	0.6
59.01377	56.1
60.01707	1.9
60.04173	0.5
61.98828	100.0
63.99252	0.9
68.99825	0.6
69.81167	1.3
69.81584	2.0
71.01384	9.6
72.99319	0.8
73.02928	2.8
75.38115	0.6
81.03449	0.6
83.01389	2.2
85.02940	3.8
87.00884	1.0
88.98795	4.4
89.02433	7.5
93.03465	2.0
95.01399	2.0
96.95966	0.6
99.00937	0.9
101.02437	7.9
107.01389	1.4
108.02176	7.6
109.02954	12.2
113.02442	3.7
119.03508	2.6
123.00895	3.2
123.04534	0.7
125.02445	6.9
135.04539	1.9
136.04887	0.6
137.02429	3.6
139.00385	1.5
143.03528	0.8
151.00388	4.5
151.03972	0.8
152.01160	9.5
153.01933	13.3
154.01465	5.7
155.01811	2.6
156.01976	1.7
161.02478	1.1
161.04572	2.7
165.01923	1.0
168.00633	1.0
169.01410	6.4
172.77448	0.6
176.88611	0.5
178.05147	1.0
179.05730	0.9
187.13470	1.4
193.05194	0.7
211.02573	0.8
227.16522	0.6
238.10919	2.3
268.11914	1.2
288.06067	1.3
289.07321	2.6
297.06244	2.1
313.05603	3.0
315.07346	2.5
331.13766	0.6
331.17581	3.0
349.18643	4.6
356.64075	0.6
387.12885	1.6
387.16837	1.6
390.22018	1.7
391.19580	3.4
407.09729	4.2
450.11261	4.0
450.17606	0.7
450.23959	1.2
451.09009	21.9
451.13541	7.6
451.22092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
56.19530	0.7
56.19815	0.7
57.03424	0.9
59.01378	72.1
61.98832	7.6
69.89225	0.7
69.96531	3.2
71.01382	12.2
73.02953	3.8
83.01369	1.9
85.02934	6.3
89.02440	7.0
93.03446	4.2
93.28441	0.7
95.01372	2.5
97.02923	1.2
100.37647	0.7
101.02442	8.7
107.01350	3.2
108.02169	37.5
109.02958	51.3
110.03303	1.2
111.00872	2.0
113.02444	5.8
119.03465	3.4
123.00906	4.8
123.04517	2.2
124.01651	1.6
125.02445	7.1
129.63773	0.7
135.00865	2.0
137.02454	8.8
139.00354	1.0
143.03421	0.9
151.00363	2.2
151.04007	1.8
152.01147	49.5
153.01935	61.5
153.05510	2.0
154.02280	1.6
161.04477	3.7
163.03949	0.9
165.01926	1.8
165.05470	0.9
168.00546	1.1
169.01428	7.0
177.01831	0.9
179.05522	2.2
187.13315	1.3
195.02925	1.9
207.02951	0.9
211.02414	0.9
237.03940	1.0
261.28036	0.7
289.07111	2.3
297.06067	9.9
313.05750	5.3
315.07175	11.8
331.17416	2.4
346.09088	0.7
349.18600	5.1
391.19272	2.2
391.23703	6.3
407.09790	17.2
408.10236	1.6
433.07721	0.8
451.08603	100.0
452.08884	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03433	1.7
59.01377	24.5
60.01702	1.6
61.98830	100.0
65.00336	1.0
69.03473	1.2
71.01380	21.0
71.50749	0.9
71.51111	1.1
72.01715	2.2
72.99310	1.9
73.02946	5.5
81.03473	2.1
83.01398	5.1
85.02948	8.7
87.00871	2.2
87.04516	2.9
89.02441	13.1
90.02783	2.7
91.50063	0.7
93.03443	2.5
95.01382	3.2
97.02948	3.0
99.00882	3.0
101.02438	10.6
102.00314	0.9
102.02773	1.9
107.01379	2.8
108.02181	22.7
109.02960	17.7
111.00868	1.8
112.98862	1.0
113.02440	8.1
114.02723	1.1
119.03506	3.9
119.05052	0.9
120.03851	1.6
121.02954	4.3
123.00890	6.3
123.04501	4.5
124.01665	4.2
125.02451	12.6
126.02788	1.1
127.00333	1.7
131.03537	1.9
133.02934	2.2
135.04527	3.8
136.04871	1.3
136.98801	1.4
137.02441	14.9
138.03224	1.6
139.00374	3.0
139.03996	2.6
143.03519	1.7
147.04526	0.9
148.03967	1.4
149.02495	1.5
149.04556	1.1
149.99605	4.2
151.00349	4.4
151.03987	4.6
152.01068	1.8
153.01917	3.7
153.05576	2.9
155.03500	0.9
159.02968	1.3
159.04544	1.6
160.03337	1.1
161.02480	7.2
161.04559	9.7
161.05981	1.3
162.04944	2.7
163.03966	1.2
163.06323	1.7
164.01155	1.4
165.01874	1.3
166.99895	1.1
168.00644	9.3
169.01399	2.4
175.03979	2.4
177.01913	1.3
179.03452	1.8
179.05568	2.6
180.05997	1.0
180.07928	1.3
181.01422	1.7
182.02145	5.2
183.02979	6.0
187.03963	1.3
188.04697	0.9
189.01865	2.3
193.07426	1.7
197.04550	10.0
199.07475	0.8
203.07101	3.4
205.01431	1.2
205.05016	2.5
208.09734	3.1
217.01447	1.2
221.08127	1.3
227.07198	1.3
228.07497	1.0
235.08252	0.9
238.10847	1.7
245.04597	1.0
245.08217	4.9
269.04486	1.4
270.04861	2.7
270.17960	2.3
284.06851	1.4
288.18961	1.0
289.07178	22.1
299.05670	1.6
299.09113	1.4
300.09683	2.6
307.94946	1.0
311.07852	1.4
312.09769	1.0
315.08316	1.8
316.09143	1.1
326.06458	1.6
327.07266	2.8
328.09015	1.5
329.06412	0.9
330.10748	3.2
331.06824	1.7
331.11478	2.2
341.08969	13.1
343.11783	1.1
345.13165	4.9
346.13678	9.7
358.13687	3.6
390.21884	1.9
391.23499	0.9
420.17551	3.5
436.10071	1.6
450.11472	3.9
450.18274	3.1
450.23819	5.0
451.12311	24.3
451.25562	1.0
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
57.03457	0.6
59.01379	8.4
60.01729	0.5
61.98829	100.0
63.17031	0.5
69.03488	0.4
69.47611	2.7
71.01368	2.6
72.99310	0.5
73.02966	0.4
75.00861	0.9
83.01399	1.1
85.02972	1.5
88.98815	0.6
89.02455	1.5
93.03458	7.7
95.01379	0.5
98.20561	0.9
101.02470	1.0
107.01407	2.2
109.02990	1.1
111.00957	0.6
113.02469	1.4
119.03516	0.7
123.00890	1.6
123.04519	1.6
124.01688	0.8
125.02446	7.5
130.06311	0.4
132.05551	0.4
135.04535	0.6
137.02451	11.9
139.00392	1.3
140.01215	0.7
145.20834	0.5
151.00351	2.9
152.01080	1.2
153.01892	1.8
153.05615	1.6
160.04059	0.5
161.04533	0.7
165.01936	0.4
168.00714	0.6
169.01425	8.8
172.35947	0.4
178.05110	1.1
179.05656	0.8
193.07471	1.3
205.05148	0.5
208.06216	1.4
222.33453	0.4
223.08473	2.3
238.10866	5.6
239.11311	0.4
241.86865	0.4
254.08116	0.4
259.68649	0.4
260.06473	0.8
268.11926	2.9
269.04498	3.8
270.04880	8.0
271.04892	0.5
274.59796	0.4
288.06198	0.6
289.07324	1.4
297.06204	1.5
299.07867	0.6
313.05606	9.5
382.75519	0.5
390.22324	0.8
407.09940	1.2
450.11020	3.7
451.09195	5.6
451.13541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97396	0.3
57.03462	0.5
59.01376	7.3
60.01721	0.6
61.08408	0.4
61.98829	100.0
69.34245	3.6
71.01379	3.5
72.99284	0.4
73.02953	1.3
83.01399	1.3
85.02970	1.7
87.00869	0.6
89.02433	3.1
90.87923	0.4
93.03483	0.5
95.01395	0.6
97.02921	0.9
99.00864	2.0
100.06872	0.4
101.02453	2.6
107.01421	0.6
108.02171	3.7
109.02962	4.0
111.00891	0.7
113.02443	2.1
119.03487	0.6
121.02959	0.7
123.00878	0.9
123.04505	1.0
124.01675	0.7
125.02430	3.1
131.03467	0.5
137.02466	3.0
139.00366	0.6
148.04025	0.6
149.02478	0.5
149.04591	0.9
149.99602	0.9
151.04013	1.1
152.01114	0.6
153.01906	0.9
153.05614	0.7
161.02444	1.4
161.04642	1.9
161.05945	0.6
165.01961	0.6
166.99995	0.4
168.00670	1.9
175.04053	0.4
182.02200	1.0
183.03041	1.4
188.04724	0.4
191.05566	1.0
197.04578	2.0
203.07121	0.7
205.05064	0.7
208.09811	1.2
226.04292	0.5
233.06531	0.8
238.10809	0.6
245.08324	0.7
289.07178	6.0
341.08948	3.7
345.12805	0.5
346.13950	1.2
358.13550	0.5
390.21735	0.6
415.16138	2.6
429.51227	0.4
446.09900	0.5
450.18774	0.7
450.24667	0.5
451.13391	5.2
451.21872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97396	0.3
57.03462	0.5
59.01376	7.3
60.01721	0.6
61.08408	0.4
61.98829	100.0
69.34245	3.6
71.01379	3.5
72.99284	0.4
73.02953	1.3
83.01399	1.3
85.02970	1.7
87.00869	0.6
89.02433	3.1
90.87923	0.4
93.03483	0.5
95.01395	0.6
97.02921	0.9
99.00864	2.0
100.06872	0.4
101.02453	2.6
107.01421	0.6
108.02171	3.7
109.02962	4.0
111.00891	0.7
113.02443	2.1
119.03487	0.6
121.02959	0.7
123.00878	0.9
123.04505	1.0
124.01675	0.7
125.02430	3.1
131.03467	0.5
137.02466	3.0
139.00366	0.6
148.04025	0.6
149.02478	0.5
149.04591	0.9
149.99602	0.9
151.04013	1.1
152.01114	0.6
153.01906	0.9
153.05614	0.7
161.02444	1.4
161.04642	1.9
161.05945	0.6
165.01961	0.6
166.99995	0.4
168.00670	1.9
175.04053	0.4
182.02200	1.0
183.03041	1.4
188.04724	0.4
191.05566	1.0
197.04578	2.0
203.07121	0.7
205.05064	0.7
208.09811	1.2
226.04292	0.5
233.06531	0.8
238.10809	0.6
245.08324	0.7
289.07178	6.0
341.08948	3.7
345.12805	0.5
346.13950	1.2
358.13550	0.5
390.21735	0.6
415.16138	2.6
429.51227	0.4
446.09900	0.5
450.18774	0.7
450.24667	0.5
451.13391	5.2
451.21872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97021	1.5
55.56432	1.8
57.03461	1.8
57.14419	1.8
57.14691	1.5
59.01382	24.7
61.98830	100.0
71.01376	6.6
83.01391	2.2
85.02946	2.6
89.02445	7.1
93.03476	3.4
101.02439	5.3
103.86614	1.8
108.02180	26.4
108.04568	3.9
109.02959	14.1
113.02463	3.4
119.03520	2.4
121.02922	2.4
123.04558	2.1
125.02471	10.3
135.04578	2.0
137.02437	8.5
151.00351	2.5
151.03984	1.8
152.01164	19.0
152.03539	6.8
153.01967	13.3
153.05559	3.5
163.04051	2.1
163.11288	12.8
165.01923	9.1
169.01427	4.8
170.98563	1.5
172.04124	1.8
179.03551	2.0
180.04236	3.9
187.03944	2.0
195.06631	6.8
225.04076	2.4
225.07565	3.2
259.06198	3.8
260.06265	10.1
283.05942	2.1
287.05688	4.3
288.05908	4.4
289.06985	2.6
302.07529	2.3
313.05630	3.4
327.86789	1.9
387.16595	52.2
388.16931	4.7
422.11652	2.9
443.55289	2.1
450.10486	34.8
451.09479	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68305	0.8
57.03445	1.2
58.00613	1.6
59.01378	47.3
61.98828	10.9
62.74515	0.8
69.03455	1.0
70.67958	2.0
71.01382	29.2
72.99304	3.6
73.02922	1.5
81.03469	2.4
83.01385	3.6
85.02948	6.1
87.00867	2.6
89.02442	50.4
90.02773	1.3
93.03418	1.3
95.01389	3.2
95.05000	2.7
96.95987	1.8
97.02939	4.4
101.02441	16.5
108.02182	1.8
109.02953	19.2
113.02456	13.8
114.02718	1.0
116.92862	1.2
119.03496	18.7
119.90788	1.0
121.02956	4.5
123.04535	11.6
125.02454	14.9
125.86211	1.0
131.03505	2.8
135.04526	2.2
137.02428	11.9
138.03183	1.1
139.04010	3.1
143.03532	4.5
149.02481	6.3
149.04610	1.9
150.03185	3.5
151.04013	8.7
159.04547	1.4
161.02415	4.5
161.04536	5.1
161.06033	2.9
163.03967	1.1
164.01149	3.0
165.01985	5.0
167.03459	2.2
169.01347	1.9
175.04013	2.4
175.07689	1.6
179.03473	4.9
179.05615	20.8
180.05812	1.0
185.06064	1.4
187.03996	3.4
188.04752	3.4
192.10321	1.4
202.06407	1.2
203.03549	1.5
203.07158	11.7
205.05054	7.1
214.75471	1.1
217.05162	0.9
221.08244	2.6
227.07149	1.7
230.05936	1.1
239.05629	1.5
245.08177	15.3
247.05907	1.0
260.06439	1.1
271.06305	1.1
274.27725	1.0
288.05811	1.8
289.07178	100.0
292.12808	1.1
313.07498	1.1
325.91803	1.1
361.14038	1.3
387.09470	2.6
450.15146	1.6
451.12442	3.0
458.29044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07093	0.3
53.68159	0.3
56.58146	0.3
59.01376	4.2
61.98829	100.0
65.00328	0.7
71.01390	0.9
71.52395	0.4
85.02938	0.6
101.02444	0.7
107.01376	0.4
110.46790	0.3
111.00873	0.4
111.37144	0.3
111.90995	0.3
113.02518	0.5
122.06133	0.8
125.02446	0.7
149.02434	0.3
150.03239	0.5
151.00423	1.7
151.01558	0.3
152.00793	0.9
164.07164	0.7
177.29335	0.3
223.13402	2.2
244.15257	0.4
278.38226	0.3
285.04239	0.5
286.04248	0.6
287.14072	1.0
288.14352	2.9
289.07425	0.4
330.15311	0.3
450.28177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.47030	0.4
61.98830	100.0
69.25745	0.5
70.70466	1.2
70.70828	0.7
71.01402	0.6
93.03459	2.9
96.96047	0.6
109.02966	1.0
112.60120	0.5
123.04577	0.9
124.01683	1.4
125.02418	3.2
137.02446	5.1
142.46104	0.5
149.99603	2.1
151.00372	1.1
151.03952	0.5
155.02716	2.0
156.03076	1.4
157.02431	1.4
161.04521	0.5
165.53029	0.6
167.26836	0.5
168.00627	5.9
183.08122	0.4
193.84721	0.5
205.05165	0.6
250.33194	0.5
251.63756	0.5
263.25226	0.6
268.63885	0.5
289.07309	1.4
313.05753	1.8
331.06726	2.7
391.12021	0.7
428.04675	0.5
451.08640	8.1
472.58960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24605	0.5
52.66651	0.4
53.45627	0.4
59.01374	0.5
61.98828	100.0
63.99244	0.9
72.59460	0.4
96.96008	1.5
108.01736	0.4
109.02981	1.1
123.04559	0.5
151.22810	0.5
165.09962	0.4
175.47533	0.5
177.01910	0.9
180.62415	0.4
189.01956	1.7
190.02734	0.5
196.78963	0.4
217.01479	1.5
258.47028	0.5
341.06589	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	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66193	0.3
62.18516	0.3
78.95906	6.0
110.97817	0.5
110.98538	5.0
118.86053	0.3
167.01170	3.4
185.02232	3.7
281.24838	100.0
282.25192	10.9
384.69870	0.4
449.26675	7.1
450.27026	1.3
455.54770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
59.02341	0.4
73.49755	0.4
78.95905	14.1
98.19896	1.4
103.07150	0.4
110.98532	9.6
126.37153	0.4
127.15639	0.4
136.06700	0.4
137.00195	0.5
152.99634	0.5
167.01140	11.3
185.02234	2.9
198.24631	0.4
280.15823	0.4
281.24844	100.0
282.25204	10.0
449.26706	18.9
450.27084	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	450.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33559	0.5
61.95105	0.4
61.98831	100.0
62.34495	0.5
70.26537	1.9
73.39137	0.4
83.63496	0.5
90.81148	0.5
162.90727	0.5
185.49077	0.6
339.65500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01379	100.0
60.01713	1.3
61.09349	0.6
61.98837	1.0
69.30429	2.7
69.30853	2.4
71.01381	7.1
71.05012	1.2
73.02960	1.9
73.08050	0.5
83.01395	1.5
85.02944	3.7
89.02428	3.0
98.82920	0.6
99.00893	1.3
101.02444	4.8
105.83818	0.6
110.40739	0.7
113.02449	4.0
119.03493	0.9
121.02969	0.8
125.02455	13.1
131.86273	0.6
139.07732	1.2
143.03516	1.1
144.72563	0.6
149.02415	1.1
151.00383	3.9
153.01959	1.0
155.10791	3.7
159.03065	1.1
161.04564	8.8
161.05743	0.9
165.01891	1.5
173.06241	0.9
178.99907	1.5
179.03479	0.8
180.15511	0.6
215.07158	1.5
227.16510	7.5
243.06839	0.7
259.06082	10.2
269.04529	11.1
269.07172	0.8
270.04916	1.0
287.05637	6.3
314.73697	0.6
361.41101	0.6
370.56284	0.6
389.21768	11.9
389.26505	0.9
390.22427	1.1
416.34445	0.7
449.10916	7.0
449.24222	1.1
450.12039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01889	3.6
57.03447	3.7
59.01380	28.5
61.98824	7.2
65.00335	3.8
71.00050	1.9
71.01382	45.2
72.99313	2.2
73.02945	18.8
74.62540	0.9
75.00867	1.5
76.90260	0.7
79.19734	0.7
83.01383	9.3
85.02952	25.9
85.49459	0.8
86.03267	1.0
87.00880	3.1
89.02451	8.0
93.03442	1.0
95.01385	4.0
95.63754	0.8
97.02956	1.1
99.00882	11.2
101.02442	38.5
102.02803	1.0
107.01411	5.7
110.70244	0.7
111.00887	3.0
112.01697	1.1
113.02452	17.6
114.02731	0.9
121.52301	0.8
123.04533	1.2
125.02467	6.3
129.01883	1.5
131.03479	1.7
135.04480	1.2
137.02452	1.6
143.03455	1.4
150.03241	3.0
151.00383	19.7
151.03963	3.2
152.01073	3.1
159.02921	4.1
161.03253	1.2
161.04547	20.5
162.04858	1.1
166.02713	5.3
175.03912	1.0
178.99852	3.4
205.03563	0.8
213.15012	2.2
215.00650	0.7
217.04973	1.0
260.05286	0.8
285.04010	7.6
287.09305	8.9
297.09677	1.4
303.05157	3.3
309.17117	0.7
317.19678	43.2
318.20016	3.8
449.23877	100.0
450.24176	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	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
58.00610	1.2
59.01379	70.7
61.98829	100.0
62.98534	1.8
63.99271	1.0
65.00327	6.2
66.63940	0.8
69.15752	6.2
69.16173	2.2
71.01381	20.2
72.99300	1.4
73.02945	2.2
74.77489	0.8
83.01373	4.6
85.02956	6.1
87.00880	2.0
89.02443	28.4
93.03448	1.3
96.95978	1.0
98.19851	1.4
101.02454	13.2
107.01384	10.3
108.39201	0.9
109.02952	2.4
109.97828	0.9
111.08203	0.9
113.02456	10.2
114.26470	0.9
119.03506	14.5
123.04545	5.6
124.01686	1.6
125.02451	10.7
131.03522	0.9
133.02956	1.3
137.02446	1.9
137.06042	1.1
138.05600	3.1
143.03481	2.1
149.02446	1.6
149.04582	0.9
150.03217	7.0
151.00366	39.8
151.03989	7.8
151.11287	1.8
152.01118	5.4
153.01866	1.0
153.05603	1.7
153.09204	2.8
159.03073	1.0
161.04558	3.5
167.03468	3.9
169.12338	12.0
172.44873	0.9
175.03983	1.1
176.18010	1.0
177.01930	1.9
177.95299	0.8
178.99855	6.7
179.05615	11.8
199.03967	0.9
209.15414	4.1
213.11383	1.8
227.16438	1.2
241.04979	1.9
285.04080	16.1
286.04391	1.7
287.05661	1.0
287.09259	1.5
297.09735	2.0
302.04471	1.0
302.10220	1.0
303.05072	6.5
305.87549	1.0
311.07901	1.5
389.21799	19.2
390.22067	3.4
449.10464	3.0
449.15146	1.2
449.19904	9.3
450.14313	1.2
450.20206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
55.06692	0.4
58.36126	0.4
59.01370	1.2
61.98827	0.6
62.96409	27.6
65.00321	1.0
69.27224	3.7
78.95905	65.2
80.97469	33.9
83.01378	0.5
107.01392	0.8
123.04478	0.5
125.02457	1.0
143.61635	0.4
149.00090	16.1
150.03262	0.5
151.00360	3.4
151.01584	0.9
151.04002	1.0
152.99577	0.4
179.01183	1.5
179.47107	0.4
205.15962	8.8
206.16289	0.7
242.98277	4.8
285.03983	1.7
285.12607	1.8
303.05231	0.6
321.25146	0.4
355.16788	18.4
356.17053	2.1
385.17850	24.3
386.18192	2.3
449.14984	100.0
450.15326	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	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92120	0.2
59.01375	0.8
60.98602	0.3
63.28868	0.3
65.00325	0.4
65.44165	0.3
65.48570	0.2
65.82198	0.3
71.18634	0.3
71.40552	0.4
76.64744	0.3
78.95902	51.9
80.96527	0.3
93.03457	1.0
96.96029	0.3
96.96961	5.9
107.01421	0.5
113.48687	0.3
113.59422	0.3
125.02438	0.5
150.03232	0.4
150.97997	1.6
151.00407	2.0
152.01080	0.3
152.99582	100.0
153.99960	1.9
162.06642	0.3
165.01947	1.0
166.17792	0.3
171.00630	3.9
178.99754	0.3
285.04187	0.7
295.22745	0.8
346.09027	0.3
447.89084	0.3
449.23080	10.7
449.29343	0.5
450.23245	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	449.1085
Annotation	3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside
Peak:m/z	Relative Intensity
57.03436	1.3
58.27684	0.5
59.01369	0.5
60.90295	0.6
63.02391	1.1
65.00324	18.2
66.00648	0.6
69.43871	3.5
78.23122	0.5
80.45124	0.5
81.03481	0.6
83.01392	7.0
87.60947	0.5
105.03462	0.7
107.01388	20.4
108.99331	0.5
109.02920	1.3
111.00893	0.6
121.02930	0.8
123.00902	0.5
123.04518	7.8
124.01656	2.3
125.02448	23.2
126.02790	1.0
133.02939	2.5
135.04514	1.4
137.02470	0.6
149.02440	1.9
150.03224	16.6
151.00365	100.0
151.03983	17.4
152.01154	11.8
152.04335	0.7
153.01865	1.4
169.01431	0.9
174.03246	0.7
175.04013	3.6
176.01135	0.9
177.01915	4.3
178.99860	17.8
180.00264	1.0
185.06033	0.7
187.04039	0.7
188.04781	0.5
189.05539	0.7
199.03941	2.4
201.01915	0.9
213.05602	0.7
217.05127	2.6
217.07014	0.5
229.05127	0.6
241.05000	2.5
243.02849	0.7
257.04538	0.9
258.05096	0.6
259.06094	1.3
270.01630	0.5
275.05521	1.4
285.04037	46.2
286.04367	4.6
297.09760	5.9
302.04367	2.6
303.05078	19.5
304.05344	2.5
323.07849	2.7
385.58493	0.6
431.09888	1.2
436.03458	0.6
449.10950	10.1
450.11316	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	449.1088
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
54.45443	0.7
57.03446	11.2
59.01379	89.6
60.01704	1.6
61.98822	1.9
63.02389	1.3
65.00319	4.4
69.03433	0.8
70.42614	1.3
70.42984	1.3
71.01376	7.0
73.02949	1.6
75.00863	1.2
81.03445	2.0
82.40792	0.7
83.01385	9.3
85.02938	3.8
87.00888	0.8
89.02428	3.4
93.03468	4.9
96.41472	0.7
97.02938	2.9
99.00891	1.1
101.02431	4.6
107.01376	7.2
107.05055	1.2
108.02151	0.9
109.02982	1.9
111.00898	1.5
111.04552	0.7
113.02464	3.1
117.03476	2.4
119.03464	0.8
121.02957	4.6
123.00896	1.8
123.04526	2.0
124.01655	1.5
125.02447	100.0
126.02795	3.4
131.05019	1.5
133.01889	0.7
133.02956	2.4
135.04518	3.1
137.02441	3.2
139.04004	2.6
145.02837	0.8
149.02441	9.3
150.03224	1.1
151.00363	26.0
152.01178	4.6
153.01917	7.8
155.10777	2.2
157.06587	1.5
159.02974	1.2
159.04463	1.9
161.04567	6.9
163.00337	0.9
165.01932	10.0
167.03484	1.2
169.01396	2.1
169.06596	1.7
171.04475	1.0
172.05232	1.8
173.06064	6.3
175.04082	1.7
176.01213	1.4
177.01872	0.7
177.05553	3.2
178.99863	14.6
179.03482	6.3
180.00272	1.0
180.61053	0.7
181.06589	0.8
183.04454	0.9
186.25336	0.7
191.03487	1.1
196.05312	1.2
197.06035	3.1
199.04034	1.6
199.07637	1.7
201.05582	4.0
209.00691	0.7
213.05510	1.3
215.07057	5.5
216.07523	0.7
219.06520	1.3
225.05608	4.8
227.16553	3.5
241.05000	4.1
243.06587	5.6
259.06091	81.6
260.06406	7.9
269.04535	80.1
270.04892	7.4
283.06134	1.7
285.04016	0.8
287.05606	49.2
288.05927	4.5
311.05707	2.1
313.05597	1.7
342.05899	2.2
364.89014	0.7
389.21640	6.4
390.21915	0.9
421.11337	1.7
431.09808	1.4
449.10861	62.2
449.24298	1.9
450.11121	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	448.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.98830	100.0
62.98545	0.5
63.99247	0.9
69.81686	2.2
98.20007	0.6
119.96379	0.5
121.02985	1.0
148.20518	0.5
160.01709	0.6
161.01280	0.7
161.98961	5.7
162.99147	2.3
163.98633	2.9
164.96387	40.9
165.01917	0.6
165.96521	2.6
166.29138	0.5
178.97844	0.7
204.00009	1.1
205.00111	0.5
205.99814	1.2
206.97449	21.0
207.97620	2.0
264.96426	0.5
270.70374	0.4
282.28601	0.5
304.00092	1.0
304.99933	5.3
305.99918	9.9
306.03296	0.5
306.97403	40.9
307.97385	6.0
379.89194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
50.73181	0.4
56.41541	0.4
57.03459	1.0
59.01382	6.6
61.98832	3.8
63.02401	1.3
65.00323	13.2
69.55519	2.1
71.01376	2.2
73.02963	0.9
75.00882	1.6
78.91893	0.5
83.01378	6.2
85.02970	1.7
87.00895	0.4
89.02456	1.0
89.89703	0.4
92.05085	0.4
95.01393	0.9
96.96009	1.5
97.01701	0.8
99.00888	0.4
101.02456	1.2
107.01389	19.5
108.02199	0.8
108.99341	0.5
109.02963	3.1
113.02444	1.0
119.03515	0.4
120.08208	0.8
123.00883	0.8
123.04523	1.9
124.01662	1.4
124.07681	8.2
125.02453	11.1
133.02962	1.2
134.03613	0.8
135.04521	53.0
136.04884	2.3
137.02437	0.8
146.71069	0.4
149.02428	0.5
149.99547	1.1
150.03249	3.9
151.00363	100.0
151.03925	3.7
152.00864	4.3
153.01897	1.4
159.02979	0.3
161.02423	1.2
161.04591	1.4
164.01103	0.9
165.01962	1.2
168.00659	1.9
169.01418	1.3
175.03972	1.2
177.01918	1.5
178.99876	3.1
199.04128	0.8
217.05110	0.4
226.06500	0.5
241.05089	0.6
241.08760	0.5
243.15041	0.7
249.92682	0.4
259.05942	0.5
259.90155	0.4
260.34332	0.4
269.04443	0.6
269.08087	0.5
285.04022	11.0
286.04495	1.0
287.05606	54.5
287.13980	14.1
288.05920	6.0
288.14313	1.2
297.09717	2.2
301.15625	0.9
301.60977	0.4
302.04068	0.9
303.05042	4.7
304.05292	0.4
329.14944	1.3
389.21768	0.9
449.10587	17.6
449.23996	0.6
450.10672	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	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45950	0.7
54.92374	0.6
54.98023	0.7
55.61007	0.6
57.03452	3.2
59.01378	1.4
62.83065	0.7
63.02420	0.6
65.00324	22.2
69.62199	3.8
69.62607	1.6
81.03448	0.8
83.01389	9.8
105.03481	0.8
107.01390	27.6
108.01714	0.9
109.02940	1.5
119.85796	0.7
121.02991	0.8
122.03760	1.2
123.04530	11.2
124.01653	3.8
125.01534	1.2
125.02451	23.9
133.02946	4.0
135.04555	1.9
137.02469	0.9
147.04506	1.1
149.02441	2.5
150.03217	16.7
151.00368	100.0
151.03993	19.4
152.01166	16.1
153.01933	1.3
155.05028	0.9
169.01482	0.8
174.03300	1.1
175.04022	3.9
176.01151	0.8
177.01920	5.3
178.99855	17.0
180.00232	0.8
188.04639	0.8
193.05099	0.8
199.04082	3.1
201.01874	1.0
204.45674	0.7
213.05608	0.9
215.03581	0.9
216.04134	0.7
217.05096	2.3
241.05019	2.3
243.02827	0.9
257.04462	1.0
259.06195	1.0
272.02585	1.1
273.02554	0.7
275.05756	1.1
276.19696	0.7
285.04062	45.6
286.04318	4.1
297.09760	5.5
302.04028	3.5
303.05072	16.4
323.07663	1.3
368.55872	0.8
431.09479	0.8
449.10712	9.6
450.11362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
57.98438	0.3
59.01104	0.6
59.01381	6.8
60.01696	0.4
61.98829	100.0
65.00331	0.5
69.03441	0.3
69.53114	1.1
69.53544	1.2
69.74197	0.3
71.01365	0.8
71.64642	0.3
75.57216	0.4
77.86365	0.3
78.35608	0.3
83.01423	0.6
89.02408	0.8
98.19902	0.7
101.02463	0.6
107.01431	0.8
110.80008	0.4
113.02431	0.7
117.03438	0.5
121.02943	0.7
125.01535	0.8
125.02445	10.2
125.03322	0.7
133.03032	0.4
146.04591	0.4
149.02438	1.0
151.00375	3.2
152.01207	0.8
153.02005	0.9
161.04605	0.6
165.01958	1.4
167.03535	0.4
173.06175	0.4
178.99907	1.6
179.03540	0.6
195.46127	0.3
197.06171	0.4
201.05550	0.5
213.05533	0.4
215.07146	0.6
225.00214	0.4
225.05716	0.4
243.06689	0.8
259.06119	9.5
269.04514	9.0
269.07217	0.6
272.61557	0.4
287.05624	6.3
287.08557	0.5
314.18677	0.3
389.21732	0.9
449.10782	7.9
450.09595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01377	26.9
60.01712	1.4
61.01821	0.5
61.98828	100.0
65.00323	1.1
69.36387	0.5
71.01387	7.2
71.51762	0.6
73.02949	1.5
75.10827	0.4
83.01394	1.4
85.02938	2.8
87.00867	0.5
89.02438	4.7
93.03474	0.6
95.01382	0.8
101.02437	4.8
104.89359	0.5
107.01417	1.0
109.02971	0.9
113.02416	2.6
117.03506	0.5
119.03497	2.1
121.02976	0.5
121.80660	0.4
123.04571	0.5
125.02443	2.5
129.01968	0.6
133.03062	0.5
134.03668	0.5
135.04565	1.3
137.02461	1.4
150.03268	0.6
151.00386	3.9
152.01173	1.8
159.03015	0.8
159.04480	0.5
161.04524	2.3
163.04103	0.5
165.01945	0.6
165.05527	0.5
165.07700	0.4
169.01414	0.5
178.99805	1.0
179.05708	1.3
201.05580	0.8
225.05681	0.8
243.06644	3.3
259.06210	1.3
269.04529	17.3
286.00827	0.6
286.04373	0.5
287.05646	2.3
287.18719	1.0
316.56943	0.4
328.05612	1.1
331.95139	0.5
358.06589	0.5
366.72260	0.5
388.20633	1.2
389.21710	2.5
448.09448	0.8
449.10709	6.7
449.15768	0.5
449.24042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68855	0.4
57.03450	0.5
58.35994	0.4
59.01377	7.9
61.98829	100.0
63.14540	0.5
65.00322	1.4
69.48408	1.9
69.48811	0.8
71.01380	3.3
73.02966	0.6
83.01389	0.9
85.02966	0.7
89.02445	1.3
98.20598	1.0
99.00885	0.6
101.02451	1.9
107.01404	1.7
108.02102	0.4
109.58873	0.4
111.00892	0.5
113.02465	1.0
119.03510	0.7
123.04552	1.1
125.02460	3.5
135.04512	0.5
137.02457	1.1
139.73383	0.4
150.03217	1.2
151.00359	7.9
151.04025	1.2
152.01122	1.0
161.04614	1.7
178.99915	1.8
179.03535	0.5
179.05762	0.5
183.13960	3.1
195.13962	1.8
211.13406	4.7
212.13719	5.4
213.14954	21.8
253.09322	4.0
285.04083	4.1
301.03082	1.0
303.05151	1.4
303.18152	0.5
385.13083	2.1
448.09845	1.3
449.10730	0.9
449.24033	0.6
467.22665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.2
60.01731	2.0
68.37605	0.8
71.01368	5.0
71.51308	1.1
73.02943	1.7
85.02947	2.5
88.87186	0.9
89.02442	4.6
93.03510	0.8
97.02937	1.1
99.00879	0.9
101.02435	3.1
102.04930	1.7
102.05608	33.6
103.03993	1.8
106.27827	0.8
109.02947	12.8
113.02462	1.7
119.03505	1.6
121.02931	1.6
122.76454	0.8
123.04522	4.4
125.02434	3.5
128.03545	30.1
129.03932	0.9
133.02942	1.2
135.04555	1.2
137.02452	8.3
139.04008	3.0
140.07179	96.9
141.01923	1.0
141.07506	3.6
146.04594	100.0
147.04778	2.6
149.02431	11.7
150.03224	1.6
151.04050	6.3
153.01883	1.0
161.02441	3.3
163.06134	2.1
176.01143	2.1
177.01901	2.0
178.02681	1.7
179.03491	1.2
180.05919	0.9
183.40681	0.8
191.03508	2.2
213.05542	3.6
215.07123	14.9
241.05026	0.8
247.50545	0.9
257.08209	2.3
259.06100	1.8
285.03925	0.9
301.07132	31.9
301.96835	1.0
302.07477	3.3
430.11456	1.1
448.22189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65804	0.4
59.01371	1.0
61.98829	100.0
70.79160	1.0
73.26009	0.4
81.88460	0.4
89.02460	0.5
98.20691	0.3
106.71136	0.4
125.02406	0.6
137.02568	0.4
151.00418	0.6
217.08743	0.4
264.57245	0.3
367.12018	0.5
367.35593	0.3
430.65881	0.5
434.92944	0.4
471.04904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64532	0.3
59.01423	0.5
59.28840	0.3
61.98829	100.0
79.95387	0.4
98.19794	0.7
121.03023	0.4
125.02446	0.8
137.02444	0.5
148.01584	0.4
151.00409	1.3
165.01881	0.4
189.40016	0.4
210.41438	0.4
285.04037	0.7
396.78378	0.4
427.67569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.8
61.98819	3.4
68.54569	1.0
70.94407	1.6
70.94759	2.5
71.01374	4.3
75.34119	1.2
83.01382	1.6
89.02446	3.4
93.03453	1.5
95.05029	1.1
97.02912	1.3
99.00928	1.3
101.02417	1.8
102.05608	35.9
109.02947	14.5
113.02480	1.4
121.02990	1.9
123.04523	22.8
124.04106	1.1
124.04814	6.0
125.02439	1.5
128.03534	30.3
129.03831	1.2
135.04527	1.2
137.02448	9.8
138.05627	2.7
139.03987	4.9
146.04593	100.0
147.04816	3.6
149.02437	12.3
151.03998	8.6
153.04321	1.5
153.05562	24.6
154.05922	15.7
161.02425	4.4
175.04025	1.4
176.01152	2.3
177.01897	3.1
178.02643	2.3
179.05629	1.3
191.03474	3.9
213.05545	4.6
215.07098	19.2
216.07401	1.3
227.09261	1.4
249.97084	1.2
257.08215	4.9
259.05936	2.0
285.04340	1.2
287.05475	2.1
301.07166	43.4
302.07428	6.1
316.11179	3.3
322.64923	1.1
448.15979	12.2
448.21695	1.8
449.10260	1.5
473.70261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54868	1.1
52.42805	1.4
59.01382	11.3
61.98826	3.6
63.19283	1.3
71.50761	1.7
71.51132	1.8
73.02898	1.2
78.95912	5.3
101.02457	1.5
117.03470	14.0
119.05032	50.4
120.05351	3.3
145.02954	100.0
146.03296	5.2
152.99626	5.6
161.02452	3.3
163.04010	43.7
163.05379	2.1
164.04359	2.0
168.39259	1.4
211.13373	9.9
221.19101	8.9
235.81674	1.4
265.18039	5.8
271.02521	1.9
283.19247	8.0
300.02969	1.9
301.03589	3.2
301.20197	21.4
302.20410	2.6
447.09683	4.6
447.23898	47.6
448.24225	6.1
458.23019	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	447.2388
Annotation	Ugaferin
Peak:m/z	Relative Intensity
53.63495	0.5
59.01385	3.8
61.98825	1.4
72.39928	0.4
80.02452	0.5
96.95985	0.5
117.02644	0.8
117.03471	16.1
118.03779	0.6
119.05032	48.0
120.05377	2.1
120.80326	0.5
133.02974	1.5
134.03734	0.7
135.04503	2.5
145.02956	100.0
146.03284	4.7
152.99554	0.8
154.73074	0.5
161.02440	5.3
163.04016	37.7
164.04346	2.1
211.13454	2.3
221.19106	8.5
222.19356	0.6
255.03137	0.5
265.18094	5.4
283.19183	9.0
284.19586	0.9
300.02603	1.1
301.03180	0.6
301.20212	21.2
302.20551	2.0
429.22791	0.6
447.09863	1.5
447.23871	52.2
448.24255	8.0
455.40414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85856	0.4
59.01365	0.8
78.95903	5.9
83.66193	0.3
90.77447	0.3
110.98532	4.4
111.77269	0.3
167.01166	2.3
185.02187	2.9
213.16515	0.3
261.22275	0.6
279.23273	100.0
280.23624	10.3
308.67239	0.4
447.25220	5.7
448.25256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20078	0.4
57.03464	0.4
58.40779	0.3
59.01380	100.0
60.01721	1.2
61.98828	2.9
63.33373	0.4
67.09474	0.3
69.49943	1.8
69.50352	0.7
71.01388	4.8
72.24493	0.4
73.02962	1.4
81.66238	0.3
85.02948	2.4
89.02452	2.6
95.01408	0.5
99.00881	0.6
100.09393	0.4
101.02446	3.7
113.02456	3.0
119.03510	0.9
126.49821	0.4
143.03543	0.8
154.01482	0.7
159.02994	0.6
161.04561	6.7
179.05595	0.7
284.03558	0.6
285.04129	0.6
299.05441	0.4
327.05139	1.2
357.06113	0.7
387.20236	8.1
388.20529	1.0
426.91534	0.4
447.09412	0.9
447.22235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.35749	1.5
54.62816	1.4
55.01865	3.1
57.03434	1.5
58.00585	3.4
59.01378	100.0
59.06012	1.3
61.98825	6.0
68.89478	1.3
69.25076	8.7
69.25497	3.9
71.01380	64.8
71.01777	3.1
72.01729	2.1
72.99301	3.8
73.02944	24.6
73.15803	1.4
74.75166	1.4
83.01369	5.0
85.02943	19.4
87.00867	5.0
89.02442	78.0
95.01401	7.5
97.17293	1.4
99.00880	71.7
99.21963	1.4
101.02441	38.1
111.00896	1.5
113.02446	42.4
115.04102	1.4
119.03486	26.0
125.02443	1.6
131.03497	10.4
143.03508	6.6
149.04558	30.2
161.04562	21.9
167.98149	1.6
179.05573	6.7
183.13889	5.5
191.05612	33.0
211.13397	96.5
212.13646	7.0
233.06657	4.8
253.09286	13.7
271.02399	2.1
300.02518	1.8
300.63324	1.6
315.18097	9.9
417.38214	1.9
447.09259	4.9
447.22305	51.0
448.22437	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03455	0.8
59.01377	100.0
60.01714	1.4
61.98828	34.3
69.38991	4.5
71.01381	13.5
72.74357	0.6
73.02943	3.7
75.00867	0.7
79.15427	0.6
80.37175	0.5
83.01414	1.8
85.02939	4.4
87.00865	0.9
88.98835	1.2
89.02444	9.9
95.01428	0.7
99.00896	1.5
101.02434	9.6
106.05402	0.5
113.02423	6.9
113.03019	0.6
119.03493	4.3
122.18012	0.7
123.00906	1.5
124.01690	2.1
125.02449	0.9
143.03560	1.9
146.12285	0.5
151.04059	1.5
152.01164	0.8
152.04379	0.6
153.00710	1.6
153.01901	0.9
153.04547	1.1
154.01456	31.6
158.26093	0.7
159.03061	1.1
161.04547	10.4
168.04271	0.8
179.05618	4.0
285.04257	0.9
316.06891	1.0
325.76660	0.7
326.49960	0.7
327.05286	1.1
359.07217	0.6
387.20187	14.3
388.20660	1.6
411.18478	0.8
447.09509	1.2
447.22125	0.8
448.10971	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	447.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25756	0.2
58.96412	0.2
59.01382	2.0
61.98829	0.7
68.62634	0.2
78.95901	57.1
91.53803	0.2
95.73516	0.2
96.96960	7.0
101.02464	0.3
149.00110	0.4
150.98036	1.9
152.99579	100.0
153.46483	0.2
153.99927	2.0
171.00627	4.5
179.03462	0.2
185.15944	0.2
211.13367	2.0
249.69408	0.2
253.09331	0.3
271.02151	0.2
293.21387	0.3
370.72458	0.2
380.69589	0.2
411.42267	0.2
426.16861	0.2
441.00677	0.2
447.08527	0.5
447.13724	0.9
447.21478	10.3
448.21756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91999	0.6
57.03461	0.8
59.01381	100.0
60.01717	0.9
61.98833	4.5
63.02398	0.5
65.00340	1.5
69.72864	2.8
70.65765	0.6
71.01383	6.2
72.75359	0.5
73.02973	1.4
83.01414	2.0
85.02956	2.3
89.02448	3.8
95.01389	0.8
101.02445	4.4
107.01398	1.7
113.02424	3.2
117.52031	0.5
119.03519	1.7
125.02498	1.4
133.02950	0.9
143.05087	0.6
145.02956	1.5
151.00331	3.7
159.03075	0.9
159.04529	1.2
161.04559	4.8
163.04059	1.1
167.04999	0.9
171.04507	0.6
178.99857	1.7
179.05644	1.2
183.04514	1.8
187.03960	3.6
189.36044	0.5
191.03526	0.9
199.04099	0.8
209.26801	0.5
211.04059	3.5
213.02016	0.9
215.03494	3.7
227.03522	2.4
239.03262	0.6
255.02983	8.9
256.03641	1.5
257.04562	0.9
283.02493	2.9
284.03284	7.1
285.04044	11.7
286.04434	0.9
301.03442	0.6
387.20316	6.4
388.20462	1.1
419.09824	2.3
447.09283	34.4
448.09729	5.0
450.60275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23192	0.3
56.45076	0.3
57.03478	0.3
59.01378	13.2
61.98816	0.6
71.01378	4.1
71.13955	0.7
72.99290	0.5
73.02942	0.7
79.23556	0.3
81.03436	0.4
85.02944	0.9
85.38916	0.3
89.02438	4.5
99.00887	1.5
100.63385	0.3
101.02451	1.2
102.05607	1.5
109.02953	1.3
113.02448	1.2
113.89352	0.3
119.03473	0.6
121.02953	1.0
122.03734	1.2
123.04523	66.7
124.04871	2.4
125.02437	0.5
128.03529	1.2
130.13463	0.3
131.03511	0.5
137.02458	1.2
138.05611	4.6
139.05966	2.4
143.03488	0.4
146.04588	4.7
149.02422	1.3
151.04033	0.9
152.04759	1.1
153.05571	100.0
154.05913	4.3
177.02010	0.3
191.05586	1.0
215.07115	1.4
256.24304	0.5
297.09808	0.5
301.07199	2.3
311.69724	0.4
315.10843	12.8
316.11249	0.6
447.15054	34.3
448.15417	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	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12149	0.4
58.00599	0.5
59.01378	15.3
61.98833	1.0
65.92709	0.3
71.01381	4.9
71.50780	0.4
73.02968	0.8
83.01392	0.7
85.02951	0.9
89.02445	3.8
95.01403	0.3
95.05020	0.3
96.95972	0.3
99.00869	1.7
101.02448	2.3
102.05592	1.7
108.02158	0.4
109.02972	1.5
113.02450	1.8
117.06708	0.3
119.03519	0.4
121.02965	1.1
122.03746	0.9
123.04524	65.9
124.04843	2.8
125.02449	1.2
128.03543	1.3
137.02449	0.9
138.05606	6.9
139.05934	2.9
143.03494	0.6
146.04591	4.7
149.02478	1.0
151.04022	0.9
152.04799	1.1
153.05573	100.0
154.05907	4.2
161.04530	0.7
177.01851	0.3
179.05621	0.4
190.21320	0.3
191.05606	0.4
195.06528	0.4
215.07121	1.0
257.08243	0.3
285.03647	0.3
293.08643	0.3
296.39020	0.3
297.10117	0.7
301.07147	2.7
315.10849	12.3
316.11310	0.7
339.89172	0.3
387.20291	0.6
447.15060	35.2
448.15359	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	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70149	0.5
53.61577	0.6
55.01850	0.6
55.33471	0.5
57.03432	0.7
58.31941	0.5
59.01372	6.8
63.95087	0.5
65.71032	0.6
69.62612	3.6
71.01380	9.1
73.02946	3.7
81.03457	0.8
83.01391	1.2
85.02940	4.4
87.00838	0.6
89.02454	2.5
92.31680	0.6
94.25820	0.5
95.01415	1.5
97.02937	1.0
98.19965	0.9
99.00876	2.3
101.02441	4.4
103.04017	1.4
108.02172	50.5
109.02979	17.5
110.10515	0.5
111.00869	0.7
113.02454	2.3
119.03530	0.6
121.02937	0.9
121.77585	0.6
123.00868	1.0
123.04523	0.6
124.00732	3.3
124.01655	1.9
125.02443	2.3
139.03987	1.0
141.01939	1.1
151.04024	1.7
152.01149	88.6
153.01709	4.1
153.05586	1.2
161.04584	2.1
163.04041	2.2
163.06172	0.7
176.21878	0.6
177.02005	0.6
232.57539	0.7
315.07339	1.1
346.41260	0.7
359.21970	0.6
365.41006	0.7
447.11389	100.0
448.11896	10.3
461.64267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
60.63943	0.2
61.95435	0.2
61.98827	0.3
62.96407	1.2
70.41674	0.5
70.41999	0.2
71.33103	0.2
78.95903	39.1
88.80856	0.2
92.22475	0.2
95.61162	0.2
96.96965	2.0
103.26438	0.2
123.99270	0.2
142.42137	0.2
149.00089	17.3
150.00418	0.5
151.01662	0.2
152.99644	0.3
158.92577	1.6
179.01149	2.5
205.16049	1.4
211.13416	1.5
211.15117	0.2
230.14818	0.2
240.96608	0.4
245.42757	0.2
261.54114	0.2
267.11523	0.6
302.89938	0.2
347.08081	0.6
417.12784	1.0
431.10132	1.9
432.10706	0.3
447.13394	100.0
448.13763	12.5
464.10236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
57.03447	5.1
58.00595	3.8
59.01377	100.0
61.98833	9.5
69.03458	7.6
70.89165	4.0
71.01379	61.8
72.99310	7.4
73.02946	28.1
80.87992	1.4
81.03455	5.9
83.01387	8.6
85.02952	23.9
87.00885	3.5
89.02448	30.7
92.95831	1.6
95.01376	3.5
97.02950	11.7
98.03310	1.9
99.00867	4.9
101.02436	45.5
103.04008	30.6
108.02175	9.2
109.02972	7.3
111.00878	3.8
113.02465	4.1
115.04072	1.8
119.03492	18.5
123.00880	16.2
123.04583	1.5
124.00768	5.0
124.01652	40.8
125.02454	44.0
126.02792	2.2
127.04005	5.4
131.03464	2.0
138.03235	3.4
139.00368	1.4
139.03993	16.7
141.01958	4.0
143.03511	6.0
145.05040	4.3
152.01138	14.1
153.01897	3.9
153.05566	12.0
161.04578	1.8
163.06136	18.0
166.02692	2.1
181.05118	2.8
205.07118	2.1
247.08247	7.8
276.90451	1.5
307.10358	9.7
334.26471	1.3
359.25198	1.4
447.10489	18.3
448.09930	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26807	0.2
56.58881	0.2
57.03465	0.4
59.01379	7.4
61.98830	26.6
65.00333	1.5
71.01374	2.4
72.99333	0.3
73.02961	0.6
75.00872	5.8
83.01420	1.0
85.02994	0.8
89.02444	2.1
93.03488	0.4
95.01445	0.3
97.36217	0.2
99.00906	0.3
99.34343	0.2
101.02444	1.8
105.03509	0.3
107.01389	2.3
109.02950	3.0
113.02486	1.0
119.03540	1.0
119.05071	0.9
120.42182	0.2
121.02998	0.5
123.04574	0.4
125.02474	0.9
133.02948	7.9
134.03354	0.3
135.04494	1.1
137.02446	0.4
143.03531	0.2
145.02951	0.4
149.02448	1.7
151.00359	7.8
152.00726	0.5
153.01952	1.7
158.67357	0.3
159.04529	0.2
161.04604	0.7
163.00372	0.2
163.03995	0.5
167.03529	0.6
167.05038	0.3
173.06061	0.3
175.03983	2.5
178.99837	0.5
179.05710	0.3
183.04471	0.3
185.06068	0.4
187.04007	0.6
197.06105	0.4
198.03210	0.4
199.03995	2.7
201.01970	0.9
211.03981	1.1
211.13338	1.7
213.05545	0.8
215.03540	1.3
216.04170	0.3
217.05026	1.7
227.03496	0.8
229.04977	0.5
239.03351	0.2
241.05031	1.0
242.02205	0.5
243.03004	1.5
253.09290	0.4
255.03035	2.8
256.03735	2.1
257.04474	0.5
271.02475	2.6
272.03268	0.3
283.02533	0.5
284.03278	4.0
285.04031	100.0
286.04376	9.3
300.02701	3.7
301.03476	2.8
311.07965	0.5
387.20123	2.8
397.93146	0.2
447.09222	26.0
448.09583	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
57.03448	33.4
58.03781	0.8
59.01377	9.2
61.98808	1.3
68.99820	0.9
69.03455	1.0
70.65837	1.5
70.66189	0.7
71.01382	4.5
73.02949	1.6
82.73145	0.6
83.01379	4.6
85.02957	3.4
89.02431	3.8
95.01382	9.6
95.75437	0.5
99.00893	0.8
99.04517	17.4
100.04852	0.9
101.02435	9.6
103.63853	0.6
111.00878	37.1
112.01225	1.1
113.02438	4.3
119.03516	1.0
123.00904	1.9
123.04524	1.4
125.02441	8.3
138.29611	0.6
139.00365	1.7
141.01941	100.0
142.02266	3.3
142.42899	0.6
143.03484	1.7
149.88055	0.6
153.05568	1.9
161.04572	10.0
179.05574	2.4
263.07736	2.7
285.10162	0.8
303.07193	2.1
323.10089	1.1
447.10876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60196	1.9
59.01378	14.7
61.98829	21.9
62.96357	2.1
65.40585	2.1
71.01368	2.6
74.73743	2.1
78.95905	56.4
96.96956	6.3
98.20719	3.0
110.28380	2.2
145.02855	3.6
152.99582	100.0
171.00630	2.9
208.09789	2.0
211.13376	12.3
447.21765	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99882	0.6
58.64658	0.7
59.56191	0.8
63.02423	1.0
65.00327	1.6
69.47562	2.4
69.47969	2.2
78.98192	0.6
80.17614	0.7
83.01384	1.4
87.60191	0.7
95.01456	0.7
98.95663	0.6
101.89169	0.8
107.01373	4.6
108.02161	1.9
109.02988	3.5
121.02939	3.7
135.00909	1.4
148.01672	1.8
149.02405	0.9
150.99190	1.4
151.00363	22.0
151.01579	1.2
151.70145	0.6
152.00784	1.0
163.00409	4.8
164.01021	0.8
178.99849	10.2
187.03964	1.5
198.03218	0.9
199.04042	1.0
203.03491	1.1
208.96068	0.7
211.03966	2.9
215.03427	1.0
215.79054	0.8
226.02715	1.1
227.03439	3.8
229.05090	1.1
230.43352	0.6
239.03485	1.1
243.02960	10.1
244.03438	1.2
245.04539	2.3
254.02179	1.9
255.02994	28.3
256.03406	2.8
271.02466	52.5
272.02975	6.2
273.03973	2.0
283.02423	2.6
284.03098	1.3
292.00803	0.8
300.02744	100.0
301.03476	76.4
302.03842	6.2
447.09308	54.2
448.09570	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.5
60.95821	0.4
61.98830	19.9
63.02380	1.2
65.00301	1.1
69.22480	1.7
69.22903	2.5
73.02955	0.6
83.01389	1.4
83.93866	0.6
85.02937	1.1
87.00869	5.6
89.02438	1.6
93.03424	0.7
101.02441	1.5
107.01385	2.0
113.02444	0.9
113.11847	0.4
119.03516	0.5
121.02977	1.1
124.01673	0.6
125.02427	2.0
133.02904	0.5
135.00978	0.5
137.02368	0.6
137.06155	0.4
143.04964	0.6
145.02985	1.0
147.04503	1.0
149.02449	0.4
151.00348	4.6
155.05029	0.6
159.04515	0.9
161.02449	0.5
161.04506	1.0
163.00331	0.7
163.04030	1.4
165.97664	0.5
166.11215	0.4
167.03574	0.5
167.04985	0.7
169.03017	0.5
173.02414	0.5
174.03261	0.7
178.99840	1.3
179.03477	0.7
182.03717	0.6
183.04489	2.4
185.02455	0.6
185.06175	0.5
187.03995	2.9
191.03491	0.7
205.04883	0.5
209.11896	1.2
210.12151	1.1
211.04041	3.8
211.13370	2.0
213.01930	0.6
213.05447	0.8
215.03531	3.2
227.03487	63.0
228.03825	4.9
229.05022	1.9
239.03452	1.8
243.06528	0.7
255.02980	79.3
256.03568	10.9
257.04422	1.9
269.08224	1.7
269.61221	0.6
271.02621	0.8
283.02499	2.1
283.09698	0.8
284.03256	58.2
285.03964	26.9
286.04346	1.6
300.02640	1.3
301.03677	0.8
311.09378	1.0
314.11673	2.2
326.11588	1.3
327.05029	1.1
329.13876	4.1
341.13904	1.9
341.32257	0.5
365.02292	0.5
387.20071	0.5
419.09842	2.8
431.41772	0.5
439.26459	0.5
447.09293	100.0
448.09567	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	446.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53979	0.1
58.00611	0.1
59.01377	4.4
61.98824	0.1
68.01405	0.4
69.03455	0.2
71.01379	2.2
72.99306	0.2
73.02943	1.0
77.89503	0.1
78.14272	0.1
81.03474	0.2
83.01376	0.2
85.02943	0.9
87.00863	0.1
89.02446	1.5
92.22513	0.1
95.01413	0.1
95.05038	0.1
97.02971	0.2
101.02437	2.3
103.04009	1.7
108.08266	0.1
110.47659	0.1
112.68375	0.1
113.02441	0.3
119.03501	0.8
122.02469	0.4
123.03262	8.8
124.03587	0.3
124.07733	0.1
125.02459	1.5
127.04037	0.3
131.03535	0.1
137.04791	0.2
138.05606	100.0
139.05959	3.4
140.07181	0.2
143.03532	0.3
145.05063	0.4
152.07173	0.2
153.03061	0.3
161.04611	0.2
163.06129	1.6
165.04324	0.2
167.03477	0.1
168.06612	0.1
173.02832	0.2
177.08931	0.1
180.06671	1.1
205.07164	0.1
210.07693	0.3
247.08194	0.7
293.47913	0.1
300.10861	0.4
307.10410	1.1
405.19299	0.1
446.16650	8.2
447.16983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40215	5.4
59.01374	37.4
59.57338	4.9
61.98833	100.0
63.59491	5.2
65.13652	5.4
69.51659	36.5
98.19944	10.1
101.02451	5.1
183.13799	4.7
211.13403	37.3
301.03342	6.1
302.77747	5.3
447.09067	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	446.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59370	0.9
59.01381	12.6
60.01720	1.3
61.98830	17.4
62.96412	2.0
75.77243	1.0
78.95902	58.4
96.96962	3.7
103.79947	0.9
123.74014	1.0
149.00095	17.4
152.99573	25.7
158.92517	1.8
179.01073	2.7
205.15990	1.7
211.13443	6.9
221.15363	1.0
229.11913	1.4
240.96881	1.0
255.03055	1.5
271.02682	1.1
304.19193	1.5
431.10223	3.0
447.13440	100.0
447.21146	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.7
77.43951	0.4
78.95905	6.3
86.95859	0.4
98.19825	0.7
102.11313	0.5
110.98534	5.1
111.74133	0.4
136.33057	0.4
152.99605	0.4
167.01151	1.9
185.02193	3.9
188.02831	0.4
217.12170	0.4
224.45581	0.4
229.70729	0.5
230.49583	0.4
259.20584	0.6
277.21698	100.0
278.22070	12.0
349.21826	0.4
445.23581	5.0
446.23972	0.8
451.04385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
67.10941	5.2
78.31745	5.0
79.17212	4.8
86.03546	4.5
91.93732	5.0
94.72604	4.7
148.96416	4.0
155.35419	4.4
171.74336	4.3
209.11823	11.3
293.21207	51.6
396.43109	4.9
453.29559	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	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02580	0.9
55.70923	0.8
56.34855	0.8
59.01379	100.0
59.74277	0.7
60.01734	0.9
60.48359	0.7
61.98826	1.7
64.50885	0.7
73.02255	0.6
78.95914	1.5
83.14602	0.7
91.04043	2.1
98.19844	1.5
121.02925	0.9
135.08223	0.7
138.87056	0.8
145.05478	0.7
152.99643	1.9
168.77034	0.7
209.11841	1.9
211.13469	1.7
229.11824	0.9
292.10617	0.8
293.21460	1.1
293.32919	0.9
311.22263	12.6
312.22659	1.9
343.44849	0.8
386.08105	0.8
445.21002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14320	0.8
59.01381	100.0
60.01714	1.8
61.07777	0.7
61.98831	1.1
70.99220	1.0
78.38425	0.8
80.39404	0.9
88.77049	0.8
91.03989	3.7
95.04564	0.7
119.05128	0.7
135.15170	0.9
151.13921	0.8
209.11903	1.7
261.80222	0.8
293.21130	1.1
311.22305	15.4
312.22614	1.2
467.22253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91183	0.7
59.01388	1.7
61.98810	1.0
71.49734	1.0
72.99311	13.0
73.02952	6.4
75.00872	78.2
78.80348	0.8
92.79253	0.8
124.50253	0.7
130.69164	0.7
136.11868	0.8
147.26363	0.7
185.11790	1.5
192.13785	0.7
232.33968	0.8
277.21729	1.2
369.29123	0.8
371.31116	0.9
383.35318	0.9
445.35321	100.0
446.35657	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
61.98859	0.7
78.95905	19.4
82.43159	0.6
98.19858	1.2
104.48588	0.5
104.97448	1.1
110.98529	13.9
111.36224	0.6
124.10246	0.5
131.75470	0.6
136.05376	0.5
143.92938	0.6
148.04909	0.5
152.61458	0.6
167.01143	14.7
185.02203	3.6
209.11809	0.7
261.16199	0.6
277.21707	100.0
278.22070	9.9
375.05972	0.6
445.23624	16.2
446.24084	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03427	1.2
57.59848	0.3
58.00597	0.6
59.01377	41.4
60.01723	0.6
61.98826	2.0
63.02411	0.4
69.03451	0.6
71.01001	0.6
71.01377	8.7
71.52369	0.5
72.99302	0.5
73.02951	1.8
75.00862	0.9
76.17632	0.4
80.02666	0.7
81.03429	0.9
83.01384	0.7
83.05022	4.7
84.71603	0.3
85.02938	4.2
87.00871	2.1
89.02441	7.7
93.03465	0.4
95.01391	1.2
97.02984	0.5
97.06574	0.6
99.00857	1.0
101.02438	6.4
107.01402	0.4
108.08209	0.8
109.64539	0.4
111.00868	0.6
113.02447	6.6
117.03468	0.6
119.03492	3.4
121.02894	0.3
123.00854	0.4
123.08141	0.4
125.02441	1.8
125.06021	0.4
129.01901	0.6
131.03584	0.6
134.30124	0.3
135.08159	0.6
137.02423	0.9
137.06075	1.0
143.03513	0.6
151.04015	0.6
151.11241	0.4
152.07129	0.9
153.38217	0.3
157.07390	0.3
161.04558	3.2
163.11282	3.5
165.05598	0.4
165.12848	2.0
167.03299	0.4
169.01370	0.3
175.02481	0.4
179.05698	1.8
181.12477	0.5
187.11295	0.6
191.10759	0.6
197.04546	0.4
205.12273	0.9
209.11809	100.0
210.12157	6.8
212.69760	0.4
222.94551	0.3
223.13326	0.4
233.11867	0.6
235.06027	0.6
235.08147	0.5
239.12857	4.3
253.09271	11.7
253.11852	0.8
254.09679	0.6
254.45708	0.4
265.14432	0.4
269.04523	12.2
270.04782	0.8
281.08530	0.4
283.11871	5.2
289.67715	0.4
385.18695	1.0
386.19214	0.4
445.07620	1.5
445.16019	0.6
445.20752	1.4
446.12933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46716	0.3
55.01872	0.4
57.03424	0.3
58.00582	0.4
59.01380	34.1
59.74995	0.3
60.01710	0.4
61.98821	0.8
69.03430	0.4
71.01383	8.3
71.06174	0.6
71.66428	0.3
72.99313	0.7
73.02945	1.1
83.01378	0.6
83.39101	0.4
85.02956	2.2
87.00872	0.7
89.02444	8.0
95.01371	0.6
99.00892	0.5
101.02441	4.1
106.04248	0.3
106.06612	0.4
109.02940	0.4
113.02443	3.3
119.03490	3.0
121.06568	0.5
122.03742	8.2
123.00887	0.5
125.02431	1.0
131.03491	1.2
133.42998	0.3
137.02402	0.4
143.03479	0.7
147.08112	0.4
149.99579	0.3
151.00429	0.4
151.04033	0.9
152.03532	100.0
159.02966	0.3
161.04530	2.4
161.09741	0.5
163.11284	4.8
168.00629	0.4
169.01369	0.4
175.11302	2.1
179.05624	0.7
187.11261	1.0
191.05692	0.3
196.03737	0.4
200.38834	0.3
205.12328	19.2
206.12683	1.2
221.06624	3.1
241.08640	0.4
289.07193	0.4
313.13138	0.4
402.10507	0.4
445.17236	1.8
446.12927	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	445.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
58.00595	4.6
58.86993	1.3
59.01378	95.2
60.01721	1.4
61.98829	2.8
69.03458	2.7
69.42303	9.7
71.01382	54.3
72.99302	7.0
73.02943	40.7
75.00860	1.6
83.01382	6.0
85.02958	20.5
86.00119	2.7
87.00877	19.9
87.04502	6.3
89.02443	40.7
95.01384	2.4
96.96016	7.8
97.02943	2.1
98.20624	2.8
99.00884	1.8
101.02444	56.0
102.02752	1.7
103.04017	20.2
108.02169	3.7
109.02996	3.2
113.02430	10.1
115.04000	11.8
119.03530	17.6
119.05022	43.5
120.05386	2.4
123.02930	1.3
125.02491	4.7
127.04027	3.5
131.03511	16.4
133.06673	1.5
136.33868	1.3
137.02458	2.3
137.06108	3.4
143.03502	18.7
145.05045	6.3
151.03978	1.5
151.07617	1.5
152.01158	5.0
153.01973	3.3
161.04572	2.2
163.06116	44.7
165.44646	1.2
179.05696	2.9
195.06639	1.5
205.07164	32.6
206.07565	1.6
209.11288	1.4
265.09427	1.6
293.54828	1.3
298.42764	1.2
299.11438	8.8
385.11563	1.7
445.17307	100.0
446.17529	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01379	100.0
61.98835	2.0
70.38813	0.7
71.01382	17.7
71.61483	0.6
72.99320	2.2
73.02956	2.3
75.00863	0.8
82.09077	0.7
83.01382	1.9
85.02943	3.7
89.02444	20.8
91.11906	0.6
93.03468	1.3
95.01379	1.6
97.02971	0.6
99.00903	1.4
101.02435	13.4
105.30618	0.6
108.02161	0.9
109.02993	1.1
113.02451	6.5
119.03510	9.3
121.02944	0.8
123.04563	0.8
123.08228	0.7
124.01710	0.8
125.02448	5.9
130.03401	0.7
131.03520	1.0
137.02470	2.2
143.03535	1.4
143.04631	1.0
149.06042	0.7
151.04028	3.8
153.09100	0.8
159.03050	0.8
161.04555	6.5
161.09801	0.8
163.11313	0.9
164.08464	0.6
165.01958	0.7
165.09264	1.2
168.00627	1.4
169.01363	0.8
173.04648	1.1
179.05597	7.8
179.10786	1.1
203.07141	0.8
205.12347	1.9
209.11847	2.8
223.13396	6.7
224.13867	0.9
235.13544	0.8
237.15027	1.4
261.99939	0.6
265.14554	1.9
271.06174	1.5
289.07162	3.4
311.48026	0.7
348.08841	0.9
385.18613	1.3
395.76587	0.7
445.13068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.135
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
55.01865	0.8
59.01374	4.8
68.31007	0.3
69.50259	2.4
71.01379	5.5
73.02949	4.0
75.00855	0.4
83.01398	1.7
85.02946	1.9
85.81519	0.3
89.02442	3.0
91.01892	7.4
92.02220	0.5
93.03452	7.2
93.70437	0.3
95.01379	0.6
99.00873	10.5
100.01160	0.3
101.02440	8.5
107.05044	1.2
108.02183	0.4
113.02451	2.7
119.01359	3.8
121.02953	9.3
131.03494	0.6
133.02995	0.6
136.01663	0.8
137.02440	5.2
143.03485	1.1
151.04002	100.0
152.04333	4.9
161.02473	0.3
161.04552	4.1
169.54665	0.3
191.05588	1.5
203.05682	0.6
217.89999	0.3
241.94321	0.3
281.06879	0.4
293.08798	0.9
413.10791	2.1
445.13480	10.1
446.13837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1348
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
54.38856	0.8
55.01866	1.1
57.03445	5.8
59.01382	13.4
63.81347	1.0
68.99792	1.0
69.03448	1.1
71.01378	28.4
72.99311	6.3
73.02953	4.6
75.00870	32.1
76.32214	0.8
81.03442	1.9
83.01350	4.0
83.05043	1.1
85.02947	35.3
87.00879	8.0
89.02440	2.8
93.03450	1.6
94.90987	0.9
95.01369	2.6
97.02950	0.8
98.15687	0.8
98.20751	1.7
99.00877	9.7
101.02428	9.3
103.00361	5.0
109.02937	1.4
111.00831	0.9
111.04591	4.2
111.05202	1.0
112.01681	1.2
113.02442	32.0
115.00359	2.6
117.01962	1.6
125.02422	1.3
127.04001	7.7
129.01950	1.1
131.03482	1.2
138.01959	1.5
143.03416	1.0
155.03516	5.9
157.01393	1.0
161.04549	2.0
173.04582	1.4
175.02449	3.9
199.02449	2.0
203.07231	0.8
269.10318	1.8
327.10913	1.0
341.05258	0.8
375.39798	1.1
385.11710	1.3
445.13470	100.0
446.13721	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.2
69.50555	6.5
71.01389	10.2
72.00878	3.8
72.99300	1.6
73.02962	1.6
74.02469	2.5
75.00873	88.8
83.80118	1.6
85.02961	7.4
85.04150	1.5
87.00864	2.3
89.02454	12.2
91.67616	1.5
94.02982	3.2
95.01364	1.9
95.05016	1.4
101.02435	5.2
103.00372	100.0
104.03535	18.6
110.33110	1.3
111.04536	2.7
113.02470	9.0
119.03495	2.9
127.03993	4.1
138.01971	11.1
144.06659	6.4
155.03448	2.1
160.66321	1.6
179.05583	3.4
196.16116	1.5
212.86708	1.6
235.00127	1.5
268.76672	1.8
321.16281	1.7
341.10947	10.9
378.07874	1.6
417.73816	1.8
444.51294	1.4
445.13361	19.9
446.13846	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	445.1349
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
55.01873	2.8
55.49780	0.9
56.74138	0.7
57.03444	6.7
58.00582	0.9
59.01379	14.3
68.99821	0.9
69.03445	1.5
69.36852	0.7
70.27018	1.9
71.01380	32.9
71.01778	1.7
72.99299	5.6
73.02946	5.6
75.00871	34.1
83.01379	3.7
85.02950	37.6
85.06845	0.9
86.03255	0.7
87.00873	8.7
89.02464	3.5
95.01385	5.5
96.69599	0.7
97.02946	0.7
98.20605	0.8
99.00877	11.9
101.02438	8.8
112.01633	1.5
113.02447	34.7
114.02774	1.2
115.00372	3.3
117.01933	1.5
129.01964	1.4
131.03513	0.7
138.05595	0.9
157.01395	1.5
159.02979	1.1
161.04576	4.2
172.48827	0.7
173.04579	1.0
175.02422	3.7
227.32779	0.9
268.72598	0.9
269.10263	2.9
336.31281	0.9
385.11533	1.1
445.13470	100.0
446.13699	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	445.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01840	0.7
54.28743	0.7
55.01871	1.9
57.03456	4.9
59.01112	0.9
59.01382	15.1
64.80449	0.7
68.99838	0.8
69.69471	3.0
69.69881	1.9
70.95002	0.8
71.01384	29.5
72.99319	4.2
73.02946	3.7
75.00874	31.7
83.01398	3.9
84.02166	0.8
85.02950	38.2
86.03289	1.0
87.00873	9.3
89.02444	2.9
95.01398	3.6
99.00874	10.6
101.02450	9.6
103.00381	1.0
112.01672	1.5
113.02455	34.4
115.00368	3.3
117.01902	2.6
129.01938	1.4
151.13597	0.8
157.01387	1.6
161.04561	2.7
173.04515	0.9
175.02466	4.6
178.69656	0.7
269.10287	2.7
282.21735	1.0
415.98038	0.7
432.38852	0.7
445.13486	100.0
446.13800	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	444.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02528	1.4
55.34338	1.3
55.56393	1.4
56.99060	1.3
59.01378	4.0
61.98830	100.0
65.26114	1.4
69.31046	2.4
69.31451	10.6
69.35667	1.5
109.06598	1.8
145.39856	1.4
145.69986	1.4
209.11780	3.4
211.09651	1.5
373.44699	1.6
445.19839	1.5
445.26132	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69860	0.9
54.48332	1.0
59.01385	7.8
62.81263	1.0
69.30393	3.1
69.30796	5.1
71.01384	3.2
72.00887	1.1
75.00871	78.5
76.01200	1.1
85.02934	1.2
86.63136	1.0
89.02451	7.7
89.61091	1.1
94.50928	1.1
98.19868	2.2
101.02440	2.0
103.00372	100.0
104.00710	1.7
104.03543	7.7
113.02481	2.2
119.03524	2.3
122.30035	1.0
143.03448	1.4
145.71469	1.0
145.84055	1.0
161.04636	1.0
179.05630	3.7
191.18967	1.0
206.29178	1.1
222.83272	1.2
341.10870	10.5
342.11163	1.5
393.68185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.374
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15956	5.0
72.99307	14.3
73.02939	5.8
75.00872	80.6
76.01208	1.7
95.79868	1.5
98.20009	1.8
99.10741	1.3
114.02036	1.5
231.08386	1.6
443.37399	100.0
444.37802	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	444.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.9
60.58046	0.3
61.98830	100.0
69.29200	2.9
71.01379	3.8
73.02954	0.8
83.01385	0.6
83.05002	0.3
85.02966	1.4
87.00872	0.5
89.02450	2.9
93.03476	0.6
95.01384	0.4
95.05025	0.3
96.96009	0.3
97.02963	0.4
98.20702	0.8
99.00894	0.3
101.02443	2.8
108.02139	0.3
109.02974	0.6
111.04568	0.5
113.02444	1.8
119.03558	0.8
119.05035	0.6
121.03033	0.3
123.00901	0.5
123.04531	0.4
124.01625	0.3
125.02444	2.2
137.02431	0.7
137.06133	0.4
151.03996	2.2
159.04617	0.4
161.04610	1.2
165.01970	0.4
167.03531	0.4
168.00587	0.6
170.24782	0.4
179.05701	0.6
179.10793	0.6
203.07114	0.4
205.12334	0.6
209.11842	1.7
283.11932	0.7
289.07211	1.4
328.05640	0.6
365.04660	0.3
412.17230	0.4
444.12207	0.8
445.13364	1.4
445.20969	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	444.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98831	62.9
71.50439	7.3
79.53912	4.9
80.32489	4.7
191.82806	5.2
209.11856	25.8
224.21306	5.3
246.89708	4.7
311.22226	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.0
61.98829	100.0
64.80165	4.7
71.50972	4.3
120.57585	4.6
209.11809	12.7
456.64114	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99086	1.0
93.43009	0.5
150.60002	0.4
159.08453	4.3
159.89474	0.5
161.06372	1.4
176.77705	0.5
178.74585	0.4
205.67146	0.5
210.54195	0.5
217.07173	1.3
261.04306	0.8
266.49704	0.4
275.06049	0.6
277.07520	3.2
343.12183	0.8
345.13745	1.1
357.13730	2.5
358.14246	0.5
359.15329	100.0
359.53577	0.5
360.15463	17.2
377.16367	0.8
425.19864	1.2
427.21585	51.2
428.21799	9.2
432.07144	0.6
443.24753	7.0
444.24954	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62570	0.6
52.61641	0.6
59.01379	100.0
60.01719	0.9
61.98819	1.1
69.67239	1.2
69.67651	2.2
90.24223	0.6
91.04025	1.9
93.75397	0.6
96.02407	0.6
109.06603	0.9
111.08147	0.6
196.85356	0.6
197.11812	3.4
197.87524	0.6
207.10347	1.8
211.13412	0.8
258.97937	0.7
291.19641	5.8
309.20709	13.4
310.21060	1.1
334.04004	0.7
443.29901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.68949	0.8
76.43837	1.0
91.04033	2.8
91.89822	0.9
102.14312	0.8
104.38752	1.0
111.08149	1.5
197.11790	4.4
211.88658	0.9
291.19565	2.8
309.20731	9.3
317.38928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01719	1.3
69.26435	4.6
91.04021	0.6
129.87120	0.6
184.75899	0.5
197.11864	0.9
291.19592	3.7
309.20715	6.5
310.21155	0.7
376.59933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31574	1.6
59.01379	100.0
61.98809	3.1
71.50764	2.3
79.05334	2.0
82.66293	1.8
111.36236	2.0
114.82563	1.9
200.06985	2.3
224.78459	1.9
225.39293	1.9
241.00412	1.8
263.43890	2.1
275.20169	2.7
291.19598	18.7
309.20886	2.8
317.43365	2.1
390.78006	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11977	1.9
59.01378	100.0
61.98827	3.0
83.66189	2.1
88.96485	2.1
109.06641	2.2
141.77139	2.5
161.89069	2.4
207.10295	4.3
275.20129	3.6
291.19720	21.8
309.20740	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	443.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53276	0.4
57.03452	0.5
58.93707	0.4
59.01366	1.9
65.06114	0.4
69.29217	2.7
69.29618	0.8
71.01377	0.5
72.99313	0.6
89.02437	0.7
91.03994	1.9
91.95229	0.5
96.90802	0.5
279.26898	0.7
305.28571	1.4
307.30042	100.0
308.30380	10.7
325.31073	2.2
326.15656	0.5
351.29028	45.4
352.29425	5.5
369.30069	96.7
370.30417	11.3
443.33743	50.5
443.40149	0.9
444.34055	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	443.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45167	0.5
52.14379	0.6
59.01373	1.6
69.29215	5.2
76.78555	0.7
90.10123	0.5
112.89990	0.6
122.64018	0.7
128.12997	0.6
128.29355	0.6
129.42743	0.6
130.03107	0.6
134.22716	0.6
136.12300	0.5
145.67522	0.6
154.10619	0.8
305.28369	1.4
307.30042	100.0
308.30371	12.1
308.33661	1.0
325.31110	1.9
351.29025	43.0
352.29440	4.7
369.30081	93.6
370.30408	11.3
381.40079	0.7
395.07016	0.6
443.33722	46.8
444.34180	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	443.1921
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
52.68779	1.3
54.23234	1.3
55.01868	2.1
57.03442	5.7
59.01377	17.8
61.98836	2.7
65.03944	2.3
67.14069	1.3
69.79119	7.4
70.09751	1.5
71.01385	11.3
72.99281	1.5
73.02943	2.0
75.00861	1.7
81.03445	1.7
82.39339	1.4
83.01394	2.5
83.05032	8.8
85.02953	5.0
87.00880	9.8
89.02457	5.9
95.01421	2.7
95.05052	3.5
97.02954	1.4
97.88599	1.4
98.19945	1.9
101.02445	8.0
107.05064	3.0
109.02948	2.0
111.04520	2.5
113.02427	6.8
113.06051	1.6
119.03509	2.7
119.08743	1.9
121.06592	3.4
123.08182	18.1
124.05312	1.9
125.06113	7.8
135.04524	1.8
135.08124	1.6
139.07680	2.7
145.10251	2.2
151.07710	3.1
153.05579	2.8
153.09186	3.4
153.11124	1.4
161.04384	1.8
169.10258	1.7
171.11812	17.7
189.12831	7.1
193.05078	1.6
201.12811	5.5
207.13968	3.8
214.82779	1.5
219.13873	2.4
237.14934	20.5
238.15599	1.5
249.17325	1.7
269.86581	1.4
281.13943	100.0
282.14301	10.9
295.15561	1.9
305.14014	6.6
310.54626	1.5
323.14987	6.1
331.74115	1.5
364.45514	1.5
387.35034	1.4
443.19165	23.3
443.91931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.25290	0.6
55.01866	2.3
57.03436	1.9
57.46658	0.6
58.00574	2.0
59.01380	38.9
61.98827	0.7
70.89384	1.2
71.01380	27.1
72.99296	2.5
73.02954	4.3
83.01388	4.3
83.05010	0.7
85.02946	10.2
87.00868	0.9
89.01936	1.0
89.02448	17.4
95.01385	2.0
96.95979	0.5
97.02942	0.6
99.00854	1.6
101.02442	18.5
102.02730	0.7
109.02952	0.8
111.04485	1.7
113.02447	10.9
119.03501	8.1
121.06603	0.7
123.08118	1.0
125.02454	0.7
135.04529	0.6
143.03543	0.6
149.02390	1.3
152.01143	0.9
160.21469	0.7
161.04506	1.2
168.35345	0.5
171.11835	1.2
174.54036	0.6
179.05656	0.6
180.13388	0.5
181.58549	0.6
189.12840	1.9
193.05101	0.6
201.12881	0.9
219.13895	1.0
237.07669	1.0
237.14879	1.1
274.16345	0.6
281.13977	3.1
334.13046	0.6
383.40097	0.6
443.19193	100.0
444.19550	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78473	0.8
59.01379	100.0
101.94479	0.8
170.85672	0.8
201.57410	0.9
209.11897	1.4
286.85507	1.2
289.18161	2.8
295.16995	0.9
307.19110	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10781	4.6
56.16033	3.7
59.01380	100.0
61.98817	4.7
98.03181	4.0
125.02484	7.2
131.46147	3.7
150.37756	4.5
169.01471	5.4
195.13893	5.2
195.81488	4.1
211.32991	4.6
212.14174	4.4
289.18121	65.7
290.18430	8.1
307.18988	8.5
441.20081	7.5
441.28625	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76513	1.3
59.01379	100.0
89.61163	1.3
96.36081	1.2
96.53943	1.3
98.16200	1.3
106.04716	1.3
125.02464	1.6
137.79158	1.2
188.24081	1.2
198.72035	1.3
245.18909	1.5
289.18130	4.6
290.18454	1.3
307.19196	3.0
330.11804	1.5
340.24423	1.5
455.03186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24994	0.7
57.03444	0.8
59.01384	6.1
61.98823	2.7
70.78525	1.8
71.01388	2.4
72.99300	1.6
74.99361	0.8
78.95918	0.8
79.16668	0.6
85.02951	0.9
87.04461	0.7
89.02455	2.9
90.21332	0.8
93.03471	2.3
95.05051	2.0
100.21192	0.8
101.02445	3.6
111.00876	1.5
111.04503	1.4
113.02443	0.9
115.09011	0.7
117.00446	5.8
119.03549	1.3
121.02929	0.9
127.02535	2.3
127.04021	1.8
129.05602	1.9
137.52794	0.9
138.13943	0.9
141.24225	0.7
143.02019	1.1
143.87444	0.7
150.04228	1.4
151.02562	1.2
153.02983	0.8
153.04024	4.1
155.02003	3.9
155.03378	1.7
157.03603	1.3
159.01514	4.3
166.04677	0.8
169.03586	5.1
171.05138	8.1
172.05402	0.9
179.02037	1.8
195.01472	5.1
195.05110	2.7
197.03052	16.6
198.03265	1.9
199.00969	11.8
199.02570	1.6
201.02528	1.2
211.04695	1.0
213.06117	1.7
215.04053	8.3
221.06685	0.9
223.00851	2.1
231.05125	0.8
240.99730	1.5
241.02005	35.6
242.02097	3.7
247.08063	0.8
256.99783	2.8
261.06088	0.8
273.06152	0.9
275.07800	1.7
283.01123	1.2
300.92267	0.9
301.02530	2.2
309.08633	0.9
319.06778	4.0
335.06268	3.4
341.10748	4.8
354.99628	0.8
363.05704	3.6
365.03351	0.9
379.05356	4.3
381.06775	1.9
397.06116	2.1
407.04672	18.4
408.04785	2.5
425.05762	100.0
426.05975	15.7
443.01944	0.9
443.06827	12.4
443.12354	1.0
443.19330	1.8
444.06891	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98836	0.3
65.00326	0.1
65.03963	5.7
65.79424	0.1
66.04306	0.2
66.73193	0.1
67.01886	2.5
69.38475	0.4
69.38879	0.2
71.01375	0.6
73.02956	0.2
85.02934	0.1
87.00871	0.1
89.02441	0.2
91.01893	5.8
92.02230	0.2
97.02944	0.1
98.19886	0.2
99.00883	0.2
101.02428	0.2
101.26087	0.1
108.02139	0.2
109.02949	36.4
110.03288	1.3
121.02958	0.3
123.04523	0.1
125.02425	0.1
131.05045	0.1
133.02943	0.2
135.00882	22.0
136.01187	0.8
137.02432	0.3
147.04530	0.3
148.05281	0.2
149.02493	0.2
149.06078	6.4
150.06462	0.3
152.01141	0.1
153.01932	100.0
154.02260	4.5
158.68808	0.1
161.02443	0.1
167.03542	0.2
175.04025	0.3
177.01961	0.2
179.03557	0.1
186.58600	0.1
193.05112	0.1
195.03008	0.2
207.02893	0.1
243.06567	0.3
297.06015	0.2
311.11331	0.5
399.13129	0.2
441.38797	0.1
443.11987	1.6
443.16638	0.5
444.12082	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	441.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
71.05009	2.4
71.31148	3.2
72.99305	37.9
81.03455	11.7
83.05025	57.2
93.03426	4.5
96.96976	2.7
97.02944	1.9
98.97405	2.1
109.02953	4.0
111.04514	49.5
113.20376	1.8
115.04019	19.1
122.91870	1.7
127.04012	100.0
128.04344	2.2
129.05573	7.5
137.02451	6.2
143.75197	1.6
149.02383	3.0
151.79694	1.6
155.03503	91.5
156.03864	2.7
171.03017	3.2
189.04057	3.7
199.02472	57.8
200.02898	2.5
217.03517	83.0
218.03831	4.2
235.04681	3.7
315.01682	1.5
355.78491	2.0
448.46762	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	441.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57728	1.1
54.50097	1.2
59.01372	2.7
69.46831	3.4
69.47237	5.0
71.05016	3.0
71.13026	1.3
72.99303	36.4
81.03443	11.8
83.05022	55.2
93.03448	2.8
107.01552	1.2
109.02940	2.4
111.04522	48.8
112.04834	2.6
115.04011	17.3
125.96133	1.4
127.04011	100.0
128.04352	1.9
129.05577	8.5
137.02457	5.7
149.02448	3.2
155.03496	85.7
156.03836	3.6
164.04752	2.6
171.02977	4.3
173.04520	2.0
189.04030	3.9
199.02480	53.2
200.02829	3.9
217.03508	71.9
218.03944	2.4
223.06163	2.1
233.95580	1.3
235.04324	1.4
328.48734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95506	1.6
59.01365	2.3
61.98836	11.0
67.10351	1.6
69.14565	1.9
71.05029	4.0
72.99306	38.8
75.58384	1.7
81.03456	10.8
83.05026	59.3
93.03455	4.2
108.74982	1.8
109.02938	4.0
111.03740	1.9
111.04520	52.8
115.04013	23.7
127.04010	98.5
128.04378	4.1
129.05605	9.2
137.02469	7.0
149.02466	3.5
155.03506	90.5
156.03830	4.0
164.04787	4.7
171.02988	4.0
172.24339	1.6
189.04065	4.0
199.02483	69.7
200.02873	1.7
217.03529	100.0
218.03870	4.0
223.06062	3.4
235.04599	10.2
295.80548	1.9
357.40036	1.9
455.53778	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	441.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81532	12.9
70.81830	14.1
72.99300	41.0
73.52453	9.9
74.87974	9.5
83.05022	60.9
111.04500	49.5
127.04012	100.0
149.02428	9.8
155.03513	82.1
199.02522	83.9
217.03616	84.1
441.19153	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85297	0.5
58.46461	0.5
59.01379	100.0
60.01705	0.9
90.24057	0.6
98.19851	1.1
125.11673	0.6
137.16177	0.6
149.51567	0.5
151.11186	0.9
171.10295	1.0
197.08037	0.6
289.18179	2.4
307.19180	3.2
442.72336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83170	0.7
55.01883	0.7
57.03440	3.6
59.01374	3.7
59.01616	0.6
59.38639	0.7
61.98827	6.0
65.66058	0.7
69.03451	0.8
71.01371	2.9
71.52213	1.2
72.99307	0.8
81.03474	3.5
82.02956	0.7
83.01383	5.3
85.02942	1.6
85.69359	0.7
87.00789	0.7
88.69406	0.7
89.02441	1.4
93.03437	2.0
95.01390	1.3
95.05002	4.3
96.95993	0.9
97.02942	8.7
99.04483	0.7
100.96584	0.8
101.02422	1.0
102.42139	0.7
108.02171	12.9
109.02946	32.9
110.03275	1.6
111.00854	0.9
111.04527	1.2
111.35568	0.8
113.02462	1.5
119.05029	1.1
121.02959	4.8
122.03728	1.5
123.00904	3.8
123.04524	17.2
124.01669	2.5
125.02446	34.7
126.02785	1.6
127.03957	0.8
133.01405	1.1
133.02942	1.2
134.03685	1.3
135.04536	3.6
137.02438	17.0
138.03156	1.0
139.04001	5.8
143.07068	0.8
145.02933	1.7
147.04460	0.9
149.02461	6.5
150.03233	1.2
151.04015	11.7
152.01138	9.2
153.01947	3.7
155.03546	0.7
157.08727	1.3
159.04485	2.6
160.05266	2.0
161.02354	1.5
161.06062	5.8
162.03249	1.9
163.03992	1.5
164.01141	4.6
165.01926	6.5
167.03490	2.6
169.01421	19.1
173.06044	1.0
175.03943	1.7
175.07622	3.3
177.01912	1.3
179.03496	8.8
185.06097	1.8
187.04019	6.5
188.04767	4.8
194.58093	0.7
199.02559	0.8
199.07635	1.1
201.05496	1.0
202.06325	3.4
203.03676	0.8
203.07120	15.4
205.05042	9.6
212.04697	1.1
217.08653	1.6
217.12439	1.0
221.08119	3.6
227.07065	3.0
243.06572	1.6
243.09442	0.7
245.08147	18.0
246.08534	1.5
247.06146	1.7
247.09689	0.9
271.06042	1.6
275.09195	1.2
288.12387	0.8
289.07166	100.0
290.07446	8.7
303.05099	1.8
306.13391	1.2
307.13776	1.0
367.11996	0.8
380.17224	1.5
381.17331	1.2
385.12784	1.2
392.22711	0.7
403.13943	2.9
440.19400	0.8
441.08102	17.0
441.14008	12.3
441.18777	1.9
442.08679	1.4
442.14359	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	441.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77103	2.5
59.01368	2.8
61.98830	22.1
62.58153	2.3
71.01402	2.9
71.05036	5.2
71.50863	4.2
72.99302	37.0
74.18707	2.3
81.03468	12.7
83.05019	61.0
91.46390	2.6
93.03472	3.4
109.02934	12.7
111.04523	53.8
112.04820	2.7
115.04005	22.9
125.02425	4.1
127.04008	100.0
128.04349	2.4
129.05568	5.3
137.02444	9.6
143.45833	2.2
149.02435	6.5
155.03494	89.5
156.03862	4.4
171.03053	7.1
181.21935	2.5
187.07695	3.1
189.04092	4.4
199.02473	60.5
200.02892	3.4
204.66887	2.5
217.03514	92.5
218.03758	5.8
235.04556	8.8
249.11485	2.6
377.44720	2.5
403.11798	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	439.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00106	0.8
55.01853	3.2
57.03456	7.5
58.00574	0.8
59.01120	1.5
59.01383	22.1
61.30093	0.9
61.78156	0.8
61.98806	3.1
65.47810	0.8
69.03432	1.1
71.01383	36.6
71.51440	1.3
72.99313	5.0
73.02951	10.2
75.00874	33.9
76.01234	1.0
78.95910	1.0
80.60488	0.8
83.01381	6.1
85.02952	39.5
86.00104	0.8
87.00881	9.9
89.02445	7.2
90.50615	0.7
95.01386	5.1
96.95980	2.8
97.02944	2.7
99.00288	0.9
99.00881	13.1
100.15586	0.7
100.48168	0.7
101.02451	15.8
107.04996	0.9
109.02921	2.9
111.00842	1.7
113.02450	37.3
114.02729	1.3
115.00330	3.1
117.01939	1.2
119.03479	0.9
119.05006	1.2
123.00871	0.8
125.02445	5.4
129.01938	1.4
131.03474	1.1
137.02396	3.0
139.03918	0.8
141.01895	1.7
149.02391	1.8
150.03152	1.2
151.03957	2.3
152.01036	1.0
154.43565	0.8
157.01369	2.3
161.02397	1.7
161.04576	5.5
165.01929	2.0
175.02409	3.3
175.03842	0.7
203.07086	1.4
243.97685	0.9
259.05954	1.1
263.14844	3.6
289.07147	2.0
307.17654	7.9
308.17819	1.0
401.14279	1.0
403.13821	1.4
439.17889	100.0
440.12476	0.9
440.18298	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	441.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73788	0.5
57.03448	2.3
57.10497	0.5
59.01375	0.7
59.10389	0.5
61.52378	0.5
69.03470	1.3
69.27274	3.3
69.27689	1.2
77.22142	0.5
79.01884	0.6
81.03468	1.8
83.01400	1.9
89.02398	0.4
93.03469	0.6
95.01434	0.7
95.05048	0.8
97.02982	3.3
107.01408	2.4
109.02954	10.1
111.00877	1.0
121.02981	1.8
123.00897	1.8
123.04527	5.8
124.01684	1.0
125.02446	67.8
126.02772	2.7
135.02710	0.4
135.04532	1.0
137.02438	7.2
139.00375	1.1
139.04002	1.6
140.01143	0.8
145.02960	2.1
145.69675	0.5
146.03741	0.7
149.01439	0.5
149.02443	2.9
150.03204	1.0
151.04008	5.0
159.04504	1.9
160.05441	0.5
161.06088	2.5
162.03275	0.6
163.04012	0.6
164.01144	1.2
165.01903	2.5
166.99876	1.4
167.03554	0.7
168.00624	1.8
169.01421	100.0
170.01758	4.4
175.04042	0.9
179.03490	2.0
187.03995	1.8
188.04764	1.2
193.01410	5.8
201.05632	0.7
202.06366	1.0
203.07121	5.3
205.05003	3.0
221.08142	1.4
227.07104	1.8
245.04646	0.5
245.08162	6.5
246.08369	0.7
253.05031	0.6
259.06134	1.1
271.06097	3.4
287.05560	1.2
289.07175	33.0
290.07474	4.4
303.05011	1.4
331.04599	2.5
428.20514	0.5
441.08279	5.3
442.08572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.8
59.19022	1.0
59.77143	1.2
61.98825	1.7
63.93431	1.0
68.71234	1.1
69.52108	8.7
73.43481	1.2
74.62476	1.1
81.03429	2.5
83.01383	5.5
91.01894	1.5
92.10484	1.3
93.03465	2.0
95.05018	2.8
97.02980	6.8
108.02174	4.9
109.02962	24.7
121.02962	4.8
123.00913	2.1
123.04530	15.5
125.02450	36.1
137.01447	2.5
137.02440	29.1
139.04028	3.2
145.02991	6.7
146.03754	1.7
147.04507	1.2
149.02448	5.7
151.03996	7.8
152.01086	2.9
154.65413	1.6
159.04524	5.4
161.06059	6.0
163.03981	1.7
164.01144	3.0
165.01923	17.9
167.03531	7.9
175.03992	1.8
175.07610	1.7
179.03493	6.2
183.04443	1.5
183.08189	1.6
185.05988	2.1
187.04005	5.0
188.04762	4.4
201.05531	1.3
202.06403	2.0
203.07120	12.5
205.05061	7.5
206.05576	1.3
221.08241	1.8
227.07101	2.9
229.05113	1.5
245.08159	16.7
246.08499	1.6
247.06000	1.8
253.05045	2.9
269.04871	1.2
271.06229	9.6
272.06335	1.9
273.07764	2.3
289.07178	100.0
290.07529	11.1
303.08734	1.6
327.38889	1.2
335.62595	1.3
352.09628	1.2
385.13174	1.6
395.11346	1.9
403.13937	3.5
415.73163	1.4
425.19717	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	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96549	0.4
64.01286	0.4
71.49982	0.6
76.88351	0.4
78.95903	50.0
79.95773	0.4
84.30980	0.4
96.96036	21.1
96.96956	100.0
106.90676	0.4
179.74379	0.4
232.98979	0.4
329.31378	0.4
339.85117	0.4
439.08411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
64.52047	0.5
68.99821	0.7
69.16265	4.7
71.01382	3.5
72.99303	1.0
75.00851	0.8
78.95904	48.4
83.01385	0.9
85.01021	0.5
85.02969	1.1
87.00871	1.0
89.02450	2.0
96.96069	5.3
96.96959	100.0
99.00896	1.8
101.02438	1.6
111.00871	2.5
112.98786	3.1
113.02444	1.3
115.00353	1.8
115.02122	0.5
117.01941	0.9
124.98821	0.4
129.03622	0.9
142.55246	0.6
142.99849	1.9
145.01416	1.5
157.01395	0.7
161.04520	0.5
171.01120	0.6
175.02469	0.5
179.05602	1.2
201.05623	0.8
219.06766	0.8
233.04749	1.1
263.05795	3.9
341.10843	3.5
403.12292	1.2
439.08740	5.2
439.13181	2.8
440.10764	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01374	3.9
61.98827	5.5
63.94113	0.7
71.01387	3.5
71.52135	0.7
73.02938	1.2
73.20255	0.7
79.95754	0.9
83.01418	1.7
85.02950	1.5
89.02415	1.5
95.05041	0.9
96.96038	2.1
101.02421	1.7
108.02113	0.8
108.38804	0.7
109.02950	2.6
113.02468	1.7
121.02925	1.0
123.00902	1.6
123.04530	1.9
125.02447	6.5
127.04040	0.8
131.05013	0.9
135.04509	0.7
137.02454	5.8
143.05051	1.2
144.98711	0.7
145.02965	0.8
148.11505	0.9
151.03987	2.1
159.04491	3.2
161.02451	2.0
161.04604	1.3
163.04070	1.2
164.01181	1.2
165.01950	2.0
167.03561	0.8
169.01523	1.0
171.04495	1.8
173.02419	1.0
174.03256	0.9
175.04008	3.1
175.07617	0.9
177.01884	1.1
179.03558	0.9
184.71626	0.9
187.03975	5.8
189.01913	1.6
191.03455	3.8
197.02515	1.0
199.04047	1.3
201.02019	0.9
203.03499	6.1
203.07191	1.0
207.03008	1.4
213.01997	2.0
214.02591	1.4
215.03462	6.5
217.01418	2.4
219.02954	8.1
225.01935	1.0
229.01300	1.1
230.02129	1.7
231.02966	3.8
241.01373	6.6
242.01945	2.0
243.02936	5.4
244.03593	1.2
245.00900	4.2
246.01572	0.9
247.09691	1.2
258.01471	1.0
259.02478	7.3
269.00967	2.6
270.01553	1.4
271.02338	0.9
274.01169	9.8
275.01892	3.8
277.10800	0.9
286.04782	1.1
287.01968	99.8
288.02576	18.8
289.02853	1.1
289.07294	2.8
301.07004	0.8
307.17603	2.0
314.11496	1.3
329.13815	1.6
367.11826	1.7
385.12860	2.5
401.12027	1.2
403.14087	4.3
439.06631	100.0
439.21860	3.4
440.07019	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	437.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48982	1.4
56.35015	1.3
57.03440	4.7
57.25139	1.3
59.01378	100.0
60.01717	1.5
71.01377	3.5
72.48342	1.3
73.02968	7.3
83.05044	2.0
85.02965	2.7
89.02450	1.4
90.33219	1.3
107.01387	2.2
113.02469	1.4
123.00883	1.6
123.04527	1.7
125.02429	4.2
148.72444	1.4
151.00369	3.6
169.01392	2.9
172.71411	1.3
181.74762	1.3
188.36952	1.6
195.13959	2.0
227.03543	2.0
255.03003	2.1
259.19174	1.6
331.24841	1.7
361.26120	1.5
375.27628	2.6
377.29056	78.3
378.29401	10.8
381.37137	1.6
401.12561	1.6
437.05505	1.6
437.11047	4.1
437.23944	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	438.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76570	0.5
60.17882	0.5
61.98828	100.0
69.44343	3.6
75.31474	0.5
78.95920	1.6
96.96033	1.7
96.96973	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	439.0672
Annotation	(-)-Amurensisin
Peak:m/z	Relative Intensity
57.03460	1.2
59.01374	3.9
61.98827	5.5
63.94113	0.7
71.01387	3.5
71.52135	0.7
73.02938	1.2
73.20255	0.7
79.95754	0.9
83.01418	1.7
85.02950	1.5
89.02415	1.5
95.05041	0.9
96.96038	2.1
101.02421	1.7
108.02113	0.8
108.38804	0.7
109.02950	2.6
113.02468	1.7
121.02925	1.0
123.00902	1.6
123.04530	1.9
125.02447	6.5
127.04040	0.8
131.05013	0.9
135.04509	0.7
137.02454	5.8
143.05051	1.2
144.98711	0.7
145.02965	0.8
148.11505	0.9
151.03987	2.1
159.04491	3.2
161.02451	2.0
161.04604	1.3
163.04070	1.2
164.01181	1.2
165.01950	2.0
167.03561	0.8
169.01523	1.0
171.04495	1.8
173.02419	1.0
174.03256	0.9
175.04008	3.1
175.07617	0.9
177.01884	1.1
179.03558	0.9
184.71626	0.9
187.03975	5.8
189.01913	1.6
191.03455	3.8
197.02515	1.0
199.04047	1.3
201.02019	0.9
203.03499	6.1
203.07191	1.0
207.03008	1.4
213.01997	2.0
214.02591	1.4
215.03462	6.5
217.01418	2.4
219.02954	8.1
225.01935	1.0
229.01300	1.1
230.02129	1.7
231.02966	3.8
241.01373	6.6
242.01945	2.0
243.02936	5.4
244.03593	1.2
245.00900	4.2
246.01572	0.9
247.09691	1.2
258.01471	1.0
259.02478	7.3
269.00967	2.6
270.01553	1.4
271.02338	0.9
274.01169	9.8
275.01892	3.8
277.10800	0.9
286.04782	1.1
287.01968	99.8
288.02576	18.8
289.02853	1.1
289.07294	2.8
301.07004	0.8
307.17603	2.0
314.11496	1.3
329.13815	1.6
367.11826	1.7
385.12860	2.5
401.12027	1.2
403.14087	4.3
439.06631	100.0
439.21860	3.4
440.07019	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	436.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.3
61.98831	100.0
69.36563	5.5
71.01380	2.9
73.02945	0.9
83.01401	0.7
85.02984	0.9
89.02440	1.5
98.20660	0.8
113.02414	0.7
120.28642	0.7
123.00835	0.7
125.02452	3.6
137.02472	2.1
138.02808	1.0
159.04491	0.8
161.02460	0.7
167.03526	2.1
168.00665	1.0
168.03839	1.2
169.00998	0.7
175.04152	0.8
183.04596	1.0
197.06149	0.9
201.05626	1.5
207.04529	2.0
225.05551	1.2
269.04572	1.5
273.07635	0.8
274.08041	2.5
353.84460	0.8
373.26172	1.1
436.09317	1.6
436.26550	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	435.2512
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
59.01368	0.6
59.02111	0.5
65.11051	0.5
71.49523	0.9
78.95901	59.6
96.96004	1.0
96.96954	5.7
112.00838	0.6
150.98030	1.7
152.99579	100.0
153.99928	1.8
155.28787	0.5
155.56497	0.5
171.00620	3.8
267.23309	1.1
281.24905	1.8
299.12347	0.7
305.18967	0.6
324.32251	0.5
329.43216	0.5
411.05264	0.5
435.25113	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	436.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96149	1.7
58.02974	18.9
58.99606	5.2
59.01384	5.5
61.98844	4.1
71.13575	4.2
72.00899	3.3
74.02475	30.5
77.11610	1.5
78.93183	1.8
82.02992	3.8
86.02483	9.9
87.05655	6.8
89.02472	3.0
90.00186	2.3
97.04071	5.2
99.05640	24.4
101.07210	3.8
101.65050	1.6
102.05612	3.8
107.06196	3.1
109.04064	3.9
111.04488	2.9
111.05612	3.1
112.04058	3.2
113.07260	2.9
116.01767	2.3
123.05610	2.0
125.02447	7.1
125.03519	2.9
125.15173	1.6
126.02790	3.5
127.05119	3.9
128.03548	67.8
129.03877	3.0
135.05646	7.3
135.60934	1.7
137.02461	15.3
137.07198	1.9
138.02800	5.3
141.06677	5.2
143.04636	91.7
144.05034	2.4
145.06210	4.8
146.04605	6.6
150.03249	2.7
151.03931	3.2
152.08456	1.7
153.06708	7.5
155.08229	2.3
160.00775	19.7
163.18330	1.6
166.09854	2.7
167.04631	4.6
167.08299	2.8
171.07513	1.7
177.03386	7.4
179.04617	16.4
181.06218	2.5
185.05678	4.0
197.05687	2.6
210.08879	18.2
254.07822	22.2
272.06250	2.7
272.08923	30.2
273.09302	1.8
288.06601	9.2
306.07654	100.0
307.07898	8.1
332.09180	4.0
392.30264	2.0
436.13895	11.5
437.14807	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	435.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94156	0.4
54.03095	0.4
54.14960	0.3
57.03449	1.7
59.01393	1.7
61.98837	0.8
64.23277	0.4
65.00332	0.8
69.16595	3.2
74.71593	0.3
81.03457	11.2
83.01389	4.9
93.03460	8.1
95.05048	0.5
100.91895	0.3
107.01397	1.3
111.04557	0.4
119.05030	9.6
120.05394	0.6
123.04527	31.8
124.04890	0.9
125.02451	15.0
126.02793	0.6
135.04483	1.6
137.02451	0.5
147.04449	0.5
149.02437	2.0
151.00336	3.0
151.03993	0.5
163.04027	0.6
165.01811	0.4
165.05591	0.7
167.03496	79.5
168.03825	3.5
169.01277	0.3
169.06587	0.4
179.03502	8.6
187.07655	0.4
189.05542	1.9
191.03490	1.0
205.08620	0.4
229.08594	0.9
255.06749	0.7
273.07675	100.0
274.07993	9.2
277.30661	0.4
297.07596	0.8
315.08710	0.5
399.14322	0.4
415.00684	0.4
417.15561	0.6
435.12695	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	435.2058
Annotation	Griffithine
Peak:m/z	Relative Intensity
59.01386	0.4
62.92941	0.4
71.50267	0.5
79.95757	0.8
80.96519	100.0
87.39689	0.4
95.36742	0.4
96.96033	0.6
135.17055	0.4
287.57092	0.4
309.95184	0.4
345.01303	0.5
347.89938	0.4
435.20535	25.6
436.20963	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
50.99054	0.5
55.01883	0.7
57.03440	1.6
59.01381	8.2
61.98828	2.3
65.00319	7.0
68.99822	0.7
69.03444	0.7
69.73374	1.1
69.73796	2.8
71.01376	11.2
71.66776	0.6
72.99316	0.9
73.02945	2.8
75.00858	1.1
75.95904	0.5
83.01383	5.5
83.31511	0.6
85.02952	4.5
89.02451	2.3
93.02859	1.1
93.03454	22.5
94.03794	0.5
95.01394	2.1
95.05021	1.3
95.09952	0.5
98.20618	0.8
99.00882	1.3
101.02438	8.9
107.01393	9.0
108.02180	2.2
109.02941	2.5
113.02448	5.2
119.03551	0.9
121.02941	2.3
122.03747	1.3
123.04522	91.3
124.01661	1.5
124.04853	3.6
125.02439	12.6
133.02974	0.8
135.04514	1.6
136.01686	2.1
137.02438	54.9
138.02788	1.8
147.04514	1.1
149.02417	1.7
150.03227	7.3
151.00362	36.7
151.03990	8.4
151.05112	0.8
152.01161	7.4
153.01949	2.5
153.05568	70.6
154.05949	3.2
161.04510	0.6
165.01936	0.8
166.02661	0.9
169.01282	0.7
169.38519	0.6
175.03987	1.4
175.07596	0.7
176.01128	1.1
177.01959	2.3
178.99850	7.4
179.03496	2.1
181.05019	1.8
185.11884	4.1
188.04785	0.6
191.03432	0.9
194.82001	0.5
199.03970	1.3
213.05559	0.8
217.04941	1.1
217.10796	2.6
229.08823	0.9
241.05054	1.4
257.04733	0.7
259.06201	0.7
276.37622	0.6
281.06644	100.0
282.06973	8.2
283.08237	0.9
285.04022	21.2
286.04419	2.1
287.14917	1.7
289.94525	0.6
303.05051	10.3
304.05438	1.1
309.06229	1.0
315.10809	0.9
375.27393	0.9
417.15741	2.1
435.08994	4.8
435.13101	4.4
435.18567	3.5
435.26007	2.6
436.08963	0.9
436.14005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1293
Annotation	Catechin 7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.20668	0.4
51.80651	0.5
57.03452	4.8
59.01376	1.3
69.03455	1.7
69.60168	0.5
81.03456	0.8
83.01382	7.0
87.00915	0.6
93.03458	2.3
95.05038	0.5
98.20648	1.1
101.53131	0.4
104.11690	0.5
105.03466	0.5
109.02948	6.8
122.03754	1.0
123.04527	5.6
125.02442	33.8
126.02767	0.9
137.02440	100.0
138.02740	3.3
145.02921	2.3
146.03712	0.5
149.02437	2.8
150.03214	15.8
151.04013	14.6
151.19612	0.5
152.04298	0.9
159.04556	0.6
161.06058	0.8
164.01131	0.9
165.01909	1.0
166.02708	2.4
167.03496	1.0
179.03508	0.9
185.06078	0.5
187.04140	1.0
201.05641	0.5
203.07086	1.4
205.05063	0.5
227.07182	0.8
245.08112	1.1
271.06046	5.0
272.06360	0.7
289.07162	5.8
290.07813	0.5
297.09784	4.3
313.09225	1.8
435.12946	8.1
436.13126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.8
59.01375	16.3
61.98840	13.0
68.44907	1.4
69.03462	2.2
70.89056	4.5
71.01392	9.2
73.02975	2.5
74.87347	1.5
81.03440	3.6
83.01392	7.6
85.02925	3.7
89.02434	3.8
93.03452	12.6
95.05032	3.3
97.02951	5.5
101.02449	5.9
108.02206	2.6
109.02948	36.4
111.00845	2.1
113.02457	4.2
117.03474	25.5
119.05027	17.8
120.05376	1.8
121.02966	7.6
121.74355	1.8
123.04542	24.6
125.02448	31.5
133.02957	4.5
135.04515	3.3
137.02443	34.7
139.04002	4.3
145.02954	71.4
146.03471	3.2
147.04497	5.2
149.02431	5.4
150.03195	3.4
151.04015	12.8
159.04483	5.3
161.02452	3.6
161.06062	5.0
162.03207	1.9
163.03984	8.0
164.01184	2.4
165.01933	37.4
166.02165	2.9
167.03491	2.6
175.03987	1.7
177.01926	19.1
179.03496	4.5
187.04002	5.8
189.01932	47.5
190.02731	10.4
191.03487	11.4
201.05511	2.1
203.03491	5.3
203.07150	12.5
205.05058	7.6
216.00650	8.5
217.01434	33.0
218.01875	3.4
219.03001	11.1
221.08244	1.7
225.05598	1.8
227.07101	5.4
231.03084	9.0
233.04562	2.7
245.08203	15.3
253.08789	3.4
255.19727	2.1
269.08118	7.3
271.06082	7.6
273.20718	5.6
281.04565	2.4
283.06064	1.8
285.07825	3.8
289.07175	100.0
290.07455	9.7
297.07495	2.3
311.05585	5.0
323.05731	2.5
341.06650	91.3
342.06903	11.5
435.10873	37.7
435.26364	27.2
436.11026	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	435.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01384	5.2
61.98822	1.8
62.15209	0.7
65.03970	0.8
65.52440	0.7
65.88213	0.8
69.91657	3.7
71.01383	2.3
73.02937	0.7
81.03457	6.1
83.01386	2.3
83.39555	0.7
85.02942	2.5
93.03455	68.2
94.03794	2.0
95.01375	1.8
95.96500	0.8
96.96049	0.8
98.20576	0.8
98.42374	0.7
101.02454	1.2
108.02171	63.5
109.02967	21.8
110.03313	1.2
113.02457	1.5
119.05042	5.6
121.02987	1.5
122.03754	0.8
123.00869	1.5
123.04520	10.8
125.02444	5.2
134.88876	0.8
135.00917	1.0
135.04547	3.5
137.02440	100.0
138.02776	4.1
139.04027	1.0
147.04517	0.9
151.00395	1.4
151.04085	1.9
152.01147	88.1
153.01944	35.2
154.02283	0.9
161.02481	0.8
163.03969	1.9
165.01930	1.1
166.02641	0.7
167.03481	21.4
168.03886	1.4
179.03497	2.7
181.05066	1.0
191.03461	3.0
195.02963	1.1
203.03485	0.8
209.04533	1.2
221.04433	0.8
273.07681	30.9
273.11044	2.0
274.07944	3.5
297.05939	20.2
298.06537	1.5
315.07141	19.6
316.07654	1.7
327.08624	1.4
435.09256	94.7
435.21829	2.5
436.09576	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	435.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01379	1.8
65.00323	0.8
69.40115	5.5
69.40456	0.9
71.01386	5.3
71.26549	0.6
73.02943	2.1
81.03439	1.0
81.46038	0.7
83.01387	1.3
85.02953	3.4
93.03463	13.6
95.01381	1.8
96.99331	0.7
97.02952	0.8
98.19939	0.6
99.00894	0.9
101.02455	3.5
107.01390	1.7
108.02176	66.5
109.02972	35.1
110.03307	1.7
113.02458	3.1
121.02984	1.6
123.00871	1.0
123.04520	1.7
125.02441	2.6
136.01666	1.5
137.02446	27.2
138.02756	1.1
150.03268	1.2
151.00339	7.1
151.03986	2.4
152.01154	74.4
153.01947	21.7
154.02287	1.0
178.99908	0.9
281.06665	7.4
285.04050	4.2
303.04865	1.0
315.07141	10.5
316.07584	1.0
357.13718	0.7
391.10321	2.7
435.09290	100.0
436.09683	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	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01374	2.1
63.02393	2.1
65.00325	17.7
69.50269	4.3
71.01382	0.9
71.83653	0.6
80.24578	0.6
81.03457	0.7
83.01395	7.1
87.00864	0.7
89.02443	0.8
96.71483	0.6
96.85850	0.6
106.14172	0.6
107.01392	24.7
108.85369	0.6
109.02979	1.6
116.31395	0.5
122.03718	1.0
123.00896	0.9
123.04527	8.4
124.01665	2.3
125.02451	18.8
133.02950	3.2
135.04506	2.2
139.00415	0.7
149.02438	2.1
150.01447	0.6
150.03224	18.7
151.00369	100.0
151.03996	19.0
152.01151	10.4
153.01817	1.0
154.79105	0.7
169.01486	1.3
174.03180	0.7
175.04051	2.8
176.01173	1.5
177.01936	2.9
178.99847	10.8
180.00511	1.2
185.06042	0.8
187.03900	0.6
189.05565	1.0
196.05153	0.6
199.04008	2.2
201.02008	0.9
215.03586	1.0
217.05077	1.3
226.11800	0.6
241.05081	2.5
257.04523	1.8
275.05850	0.8
283.08200	3.3
285.04044	43.1
286.04449	3.8
302.04294	1.0
303.05063	10.0
304.05536	1.1
309.06183	2.3
435.09299	11.6
436.09875	1.3
443.24612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20720	3.4
61.98831	100.0
64.84472	3.3
69.57458	21.6
96.96008	5.1
98.20641	4.5
164.70186	3.1
288.44284	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.8
61.98827	2.0
65.03955	0.7
69.16566	7.0
71.01381	3.2
73.02933	1.7
81.03446	5.9
83.01397	2.1
85.02943	2.9
92.11456	0.6
93.03457	70.8
94.03792	2.7
95.01389	1.7
97.02971	0.7
98.20628	1.1
99.00915	0.7
101.02437	2.0
102.61137	0.7
108.02171	68.2
109.02962	28.3
110.03328	1.0
113.02441	1.2
119.05036	4.5
121.02920	1.6
122.03693	1.0
123.00910	1.3
123.04523	10.1
125.02428	4.5
135.04491	3.2
137.02440	100.0
138.02744	3.9
149.02417	1.0
151.00383	1.1
151.04034	2.1
152.01144	81.7
153.01939	34.1
154.02357	1.0
161.02415	0.6
163.03998	2.3
165.01958	1.1
167.03493	22.0
168.03816	1.3
179.03511	2.2
181.05042	0.9
191.03477	2.9
209.04543	1.8
211.63959	0.7
273.07681	26.2
273.11200	2.2
274.08020	2.4
274.10956	0.7
297.05933	20.1
298.06699	1.2
315.07144	19.1
316.07529	2.6
327.08551	0.8
340.96494	0.8
387.75821	0.7
433.11288	0.7
435.09247	93.4
435.21646	2.6
436.09628	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	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
60.01716	0.6
61.01806	0.7
61.98829	100.0
69.55838	1.7
69.56260	1.4
70.02847	0.4
71.01407	0.8
72.60940	0.4
75.05038	0.5
76.40534	0.5
83.28277	0.4
89.02452	0.6
94.55752	0.4
98.07020	0.4
101.02484	0.5
107.01408	0.7
109.02947	0.5
119.04967	0.7
125.02445	1.2
137.02467	0.8
151.00401	2.4
152.01135	2.3
153.01553	2.0
164.01271	0.5
178.99918	2.0
179.03607	0.5
180.00282	1.2
259.06104	0.6
260.06708	0.9
269.04620	0.9
270.04990	2.3
272.06573	1.3
288.06039	0.7
399.14337	0.5
417.15680	1.0
434.11786	3.6
435.17261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15992	0.5
51.97078	0.5
58.52305	0.5
59.01379	100.0
60.01715	1.6
61.98825	2.4
65.00356	0.5
70.14008	2.0
71.01383	6.1
73.02954	0.9
81.25774	0.5
83.01342	0.5
85.02936	1.1
89.02451	5.7
95.01389	0.6
98.19968	0.7
101.02425	4.0
107.01403	1.4
108.02204	1.0
109.02956	1.6
109.06615	0.5
113.02445	2.4
119.03502	2.5
121.02962	1.4
123.04532	0.8
125.02480	1.9
135.00916	0.8
137.02460	1.0
143.03540	0.6
148.01686	0.8
149.02466	1.2
150.03204	0.5
151.00385	5.3
152.01094	0.6
161.04599	2.0
163.00436	1.8
164.01151	0.6
178.99886	3.0
179.05650	1.6
200.07884	0.5
227.03568	1.5
227.07147	0.7
243.02927	4.1
245.04654	1.1
254.02310	0.8
255.02994	10.4
256.03302	0.7
269.04538	0.9
271.02478	17.6
271.05368	0.7
272.02994	1.8
273.03992	0.6
287.09167	3.5
300.02740	28.7
301.03500	31.9
302.03888	2.4
323.24988	0.5
373.22034	0.7
401.12454	0.8
433.07642	13.3
433.24704	1.7
434.08252	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	434.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01379	7.5
60.66019	0.4
61.98828	100.0
63.02400	0.8
65.00317	0.9
71.01382	1.4
72.01746	0.5
75.56504	0.5
77.36898	0.5
83.01395	1.4
89.02441	1.2
93.03429	0.5
98.20673	0.9
101.02481	0.9
107.01413	2.2
109.02979	0.4
119.05022	0.8
120.05383	0.5
123.00943	0.6
124.01694	1.4
125.02470	2.7
126.02796	0.6
135.04530	0.6
135.59729	0.4
137.02452	1.2
147.74773	0.5
151.00348	5.6
152.01180	6.4
153.01570	2.0
165.01958	0.8
178.99840	4.8
179.03496	1.2
180.00198	2.4
259.06088	0.8
260.06448	2.0
269.04453	3.7
270.04868	5.5
271.06110	1.1
272.03543	0.4
272.06372	2.7
287.05420	1.2
288.06100	1.3
385.12589	0.5
399.14490	0.4
417.15558	1.2
434.11700	6.8
435.11899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
57.30183	0.4
59.01373	1.7
70.72329	1.1
78.58482	0.3
78.95900	74.1
81.43220	0.4
96.96964	5.2
106.74433	0.4
150.98032	1.2
152.99579	100.0
153.99915	1.7
171.00630	3.1
208.04167	0.3
279.23315	1.3
358.55063	0.4
433.23544	10.3
434.24066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.00578	0.6
59.01379	100.0
60.01714	0.9
61.72425	0.4
61.98830	2.4
65.00338	0.8
69.37547	3.9
71.01383	6.1
73.02948	1.0
73.44814	0.5
73.53365	0.5
76.62712	0.4
83.01404	1.0
85.02979	1.7
89.02446	7.1
96.96008	0.7
101.02448	4.2
107.01398	1.2
108.02175	0.8
109.02954	1.4
113.02441	2.5
119.03477	3.0
121.02968	2.0
122.03798	0.5
123.04558	0.7
125.02435	1.1
137.02451	0.6
140.35767	0.4
143.03503	0.8
148.01688	0.7
149.02466	1.7
150.03207	0.5
151.00360	5.0
159.04483	0.5
161.02435	0.6
161.04549	1.2
163.00406	0.6
164.01135	0.6
169.01492	0.5
178.99901	2.1
179.05684	1.1
183.04794	0.5
184.17694	0.5
203.03624	0.5
205.12462	0.5
215.03554	0.6
216.04279	0.5
226.02733	0.6
227.03577	1.4
227.07138	1.1
243.02879	2.8
245.04335	0.6
254.02278	0.7
255.02965	7.9
256.03354	0.9
269.04614	0.9
271.02484	15.9
272.03018	1.7
283.02582	0.9
287.09314	5.6
300.02737	23.4
301.03497	29.8
302.03845	2.3
323.84348	0.5
401.12704	0.9
433.07599	10.9
433.24796	1.6
434.08374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.8
59.01377	100.0
60.01715	1.2
61.98846	0.6
69.80999	1.5
69.81388	1.5
71.01379	9.8
73.02945	1.6
77.66963	0.6
83.01437	0.8
85.02959	2.8
89.02436	5.5
89.83886	0.6
98.20629	0.8
101.02455	6.1
108.03364	0.8
113.02437	3.5
119.03491	3.5
143.03537	0.6
161.04539	8.7
196.63474	0.9
373.22314	17.5
374.22809	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	433.1498
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
59.01376	2.5
61.98822	0.9
65.03941	1.0
67.01877	0.6
68.99540	0.4
69.89470	0.6
69.89884	0.8
71.01368	0.8
78.95144	0.3
79.54080	0.3
80.02679	0.9
87.00870	0.4
89.02435	0.4
101.02409	0.5
107.01389	6.1
108.02182	7.1
109.02967	6.1
109.09874	0.2
110.03298	0.4
112.98598	0.3
113.02458	0.4
119.03539	0.3
119.05028	3.6
122.03751	0.9
123.00880	1.8
123.04530	0.3
124.01668	2.0
125.02461	0.5
133.02974	0.3
135.00891	0.8
136.01659	17.2
137.02180	0.6
144.00404	0.3
149.02426	1.6
150.03207	3.7
151.03870	0.4
152.01120	0.5
163.03981	0.6
178.99805	0.4
179.07190	0.3
197.05939	0.3
218.11331	0.3
227.10764	2.0
238.06425	1.6
250.27133	0.2
255.06610	1.1
256.07416	0.6
269.04520	0.5
269.08008	0.4
271.09735	100.0
272.10086	9.3
312.57190	0.3
433.15158	2.9
433.24231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.15
Annotation	4'-O-Methyldavidioside
Peak:m/z	Relative Intensity
53.12301	0.5
59.01378	6.8
61.98836	3.8
70.63840	0.7
70.64169	1.2
71.01374	1.9
81.89649	0.5
83.01346	0.5
85.02921	1.2
85.16583	0.5
89.02435	1.3
89.27535	0.5
101.02425	1.5
104.05575	0.5
105.94164	0.5
113.02435	1.3
124.01640	0.8
124.61418	0.5
125.02433	1.1
129.35851	0.5
149.04478	0.5
151.00365	1.0
152.01126	0.6
157.05026	0.5
161.04469	0.7
165.01964	0.6
169.06602	0.6
178.99854	0.9
197.06107	4.9
199.03983	2.3
212.04723	2.2
213.05580	2.0
214.05841	0.6
236.51465	0.6
240.04266	32.3
241.04970	8.1
242.05492	0.8
255.06613	68.2
256.07324	30.7
257.07791	2.2
268.29309	0.6
269.04440	1.6
271.09735	100.0
272.10101	10.0
317.03033	0.9
433.11063	1.1
433.24173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
61.98830	7.7
66.92062	1.0
70.99628	1.9
80.05051	4.8
85.02953	0.9
89.02415	1.0
92.05071	1.7
94.06611	6.1
96.08172	2.0
97.01691	3.1
104.05076	1.7
106.02988	1.5
106.06612	3.2
108.04520	2.9
109.02950	1.7
109.05320	2.9
110.02465	1.2
110.06073	1.6
120.04543	7.6
121.05322	3.2
122.06127	33.1
123.04529	1.3
124.04047	2.0
124.07686	37.7
125.07992	1.0
136.04068	10.4
138.05568	2.3
140.07178	2.0
148.04047	65.7
149.04446	2.3
150.05608	24.3
152.03554	1.7
152.07133	1.6
166.05078	18.2
168.06680	7.6
178.12384	1.6
194.04530	4.0
210.04031	3.9
215.08253	1.1
215.11829	1.6
226.69730	1.1
228.09052	2.5
229.13423	1.7
230.10574	0.9
231.11464	6.7
240.04028	1.2
241.09860	2.0
243.11241	3.5
255.06639	3.5
255.11349	3.1
259.10852	1.0
271.09717	8.0
273.12439	43.4
274.12708	4.1
290.12656	1.3
291.13495	41.2
291.82968	1.0
292.13742	4.2
317.11392	11.1
318.11569	1.0
334.11639	3.5
335.12466	100.0
336.12778	10.0
389.20743	6.4
401.63757	0.9
433.19812	13.4
434.19873	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	433.135
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
57.03446	1.0
59.01384	6.0
61.98833	1.2
70.69305	1.1
70.69637	0.7
71.01380	6.3
72.99291	0.5
73.02936	2.8
80.12247	0.5
83.01386	1.4
85.02949	2.1
89.02473	2.8
96.61765	0.5
99.00877	4.8
101.02454	3.4
104.05957	0.5
107.94668	0.5
109.02982	1.2
111.18275	0.5
113.02447	3.1
117.99522	0.5
123.00911	1.0
124.01662	33.9
125.02477	5.6
132.03008	0.8
137.02455	0.7
139.04012	100.0
140.04340	4.2
143.03522	0.8
151.04010	1.7
152.04413	0.7
153.01927	6.7
154.02661	0.7
161.02539	0.7
161.04541	4.1
163.04050	1.1
168.04266	2.1
169.01411	0.8
169.05028	2.0
180.07909	0.6
191.05606	0.6
192.07829	0.7
202.83231	0.5
203.05676	0.5
208.49997	0.5
225.11282	1.1
226.11642	0.9
227.07062	0.9
227.11844	0.8
248.92906	0.5
301.09470	4.7
337.15778	0.5
373.11395	0.8
433.13467	36.4
434.13837	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	433.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48222	1.2
55.01863	4.0
56.00758	1.1
57.03444	2.0
58.00565	1.9
58.58095	1.3
59.01380	17.8
59.19931	1.2
65.01611	1.3
70.55022	3.0
70.55386	2.7
71.01382	56.1
71.01778	3.1
72.99324	1.5
73.02948	18.4
83.01382	7.0
85.02946	20.8
87.00871	2.3
89.02438	11.7
95.01370	6.2
99.00879	19.3
101.02435	28.3
108.02094	1.2
111.00829	1.9
113.02449	24.2
123.00887	48.1
124.01665	100.0
131.03491	3.1
133.24438	1.2
137.02466	1.4
138.03218	28.9
139.04010	89.6
140.04373	3.7
143.03496	4.2
159.02919	6.9
161.04553	51.7
166.02725	1.8
176.09532	1.6
181.05077	3.6
191.05501	1.3
193.05096	2.0
283.08078	1.5
301.09265	41.1
302.09811	2.5
385.95352	1.3
427.34442	1.5
433.13498	79.2
434.13852	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	433.1349
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
54.05013	1.0
55.01875	1.5
57.03454	2.6
58.00578	1.2
59.01377	15.3
69.18409	11.5
71.01378	33.5
72.01682	1.2
72.99282	1.1
73.02937	11.2
83.01379	4.9
85.02949	12.3
87.00858	1.2
89.02438	14.5
92.61811	1.0
95.01386	8.3
97.02950	1.5
98.19839	2.0
99.00880	14.6
101.02436	17.9
113.02430	14.2
121.02912	2.4
123.00887	100.0
124.01672	57.2
125.02528	5.9
131.03497	3.3
137.02415	1.2
138.03221	54.5
139.00377	1.3
139.04016	53.4
140.04346	1.4
142.87009	1.1
143.03487	2.7
149.02473	2.4
149.04561	1.8
150.03229	2.2
151.04041	2.4
159.03011	2.9
161.04547	23.9
163.03957	1.9
166.02701	5.1
178.02695	3.3
181.05049	14.9
191.05649	2.3
193.05074	7.6
202.23813	1.4
269.06711	1.5
283.08243	2.0
301.09286	36.1
302.09641	1.6
352.09705	1.4
433.13480	75.0
434.13828	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	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66813	0.8
57.03442	1.7
59.01379	53.8
60.01711	1.2
61.98843	5.6
69.56747	2.2
69.57150	3.2
70.31996	0.9
71.01002	1.4
71.01381	17.3
72.99294	1.8
73.02934	2.8
83.01373	1.9
84.79053	0.8
85.02960	5.7
87.04498	1.9
89.02444	13.6
93.03446	2.7
95.01364	1.6
96.96033	1.1
99.00842	1.0
101.02451	11.6
107.01360	1.6
107.05013	0.9
108.02171	1.2
109.02940	1.9
113.02453	8.0
119.01447	0.8
119.03539	5.5
121.02941	1.3
122.43393	0.9
123.04509	1.6
124.01660	1.0
125.02438	2.7
137.02438	1.8
139.03966	1.0
141.07053	1.1
143.03595	1.2
143.03778	1.4
143.05013	10.6
145.02904	1.2
148.01671	0.9
149.02399	1.5
149.04642	0.9
151.00354	3.6
152.01186	0.9
157.06557	3.4
159.08136	3.6
161.04532	3.1
163.04070	0.8
165.01968	1.1
167.05037	1.1
175.03951	1.0
178.99872	1.6
179.03448	1.0
179.05638	2.8
180.05786	1.2
181.06619	2.3
182.07350	1.7
183.04462	1.2
183.08154	5.2
185.06064	22.6
186.06323	1.2
187.03902	1.0
197.06003	1.1
203.03429	1.8
203.74530	1.0
203.92696	0.8
209.06088	6.9
211.04010	1.9
212.04767	2.8
225.05550	11.3
227.07127	100.0
228.07480	9.8
243.02982	3.8
253.05029	40.9
254.05386	4.1
255.02954	9.3
256.03439	1.0
271.02530	15.6
271.06079	85.3
271.18988	1.4
272.03198	2.0
272.06451	8.3
283.02359	1.2
300.02744	33.3
301.03476	15.8
302.03754	1.5
313.07013	1.0
368.81970	0.9
383.45590	0.8
389.12634	1.0
401.12280	2.8
433.07013	8.1
433.12311	20.2
433.24182	4.9
434.07059	1.4
434.11758	3.1
449.84753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71814	0.5
57.03444	1.3
59.01374	3.3
61.98818	0.7
63.02391	2.9
65.00323	9.7
66.98957	0.4
69.35901	3.8
69.92628	0.4
71.01384	1.7
73.02975	0.6
81.03458	0.5
83.01390	8.1
85.02973	0.8
88.22569	0.4
89.02460	1.4
93.03456	5.0
95.01401	0.6
95.04955	0.6
97.02970	0.7
101.02463	1.3
105.56851	0.5
107.01394	17.4
107.02126	0.8
109.02947	1.5
113.02460	0.9
117.03484	1.0
119.05025	32.3
120.05370	2.2
121.02978	0.8
123.04506	1.3
125.02449	8.5
126.02731	1.2
137.02435	3.7
143.05031	0.9
145.02960	4.4
149.02443	1.1
150.03331	0.5
151.00366	65.1
151.03792	0.9
152.00716	2.1
159.04488	0.5
161.02396	0.6
161.06064	1.3
163.03931	0.5
164.01184	0.9
165.01917	6.0
166.02327	0.6
169.01469	2.6
177.01909	5.0
179.03519	0.7
185.06111	2.5
187.04031	2.9
187.07706	1.1
193.01372	1.1
199.07474	0.5
203.07065	0.8
212.04884	0.5
217.08661	0.6
227.07143	3.2
229.05077	0.5
245.08202	0.7
253.05038	0.5
269.04620	1.1
271.06100	100.0
272.06430	10.9
295.06174	0.6
313.05557	4.1
365.10199	0.5
401.12332	2.0
433.11398	13.6
433.20645	1.2
434.11536	1.2
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	Unknow
Peak:m/z	Relative Intensity
51.22192	0.5
57.03448	0.9
59.01381	13.1
61.32013	0.6
63.02395	5.1
64.70532	0.5
65.00321	9.5
68.99805	0.9
69.33053	1.9
69.33478	2.8
70.46452	0.5
70.94245	0.5
71.01387	1.0
74.87418	0.5
83.01387	5.9
85.02951	0.6
89.02460	0.8
93.03450	1.6
95.01419	0.7
96.02181	1.6
107.01383	11.8
107.02052	1.0
111.00890	3.3
117.03441	3.8
123.00875	4.3
124.01662	17.3
125.02454	16.2
133.02974	1.2
134.03743	2.4
135.04501	4.0
139.00412	3.7
141.01933	1.3
149.02412	0.7
151.00365	41.4
152.01146	95.6
153.01465	3.9
155.05009	0.6
159.04501	0.6
165.01970	0.8
169.01413	2.0
169.06581	0.9
172.05336	0.6
173.06058	2.3
177.05562	1.5
178.99854	100.0
179.96443	0.6
180.00443	7.0
197.06026	1.0
200.80391	0.6
201.05458	1.4
207.02925	0.5
215.07123	2.6
225.05595	2.6
230.50314	0.5
241.05095	1.2
243.06607	1.1
259.06104	30.5
260.06476	1.5
269.04535	76.9
270.04877	7.3
286.04834	15.5
287.05591	25.5
288.05991	2.1
339.07236	0.7
433.11368	51.3
434.11734	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	433.1137
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.95163	0.4
57.03437	1.0
59.01376	3.7
59.40276	0.4
61.98821	0.5
63.02394	3.7
65.00318	10.1
69.37850	1.0
69.38266	2.3
70.31763	0.4
71.01376	2.4
72.99263	0.4
75.00886	0.7
83.01382	6.8
85.02928	1.2
89.02406	1.5
93.03464	4.3
101.02423	1.2
107.01385	17.5
109.02914	1.1
113.02425	1.6
117.03413	1.2
119.05022	33.1
120.05316	1.2
121.02937	1.2
123.04519	1.0
125.02445	4.9
133.02928	1.3
135.04503	0.7
137.02406	1.1
143.05006	1.2
145.02966	4.3
146.03267	0.5
149.02481	0.8
151.00359	64.5
152.00691	2.8
153.01974	0.5
153.05562	1.2
161.02432	4.0
161.04503	0.7
161.06039	0.6
163.03979	0.5
164.01079	0.4
165.01926	5.6
169.01425	2.8
177.01913	5.5
179.03464	0.5
185.06068	3.2
187.04001	2.7
187.49644	0.4
193.01483	0.8
203.07234	0.5
209.06012	0.6
227.07114	2.8
228.07253	0.4
229.04980	0.5
241.14445	1.1
245.08195	0.4
249.06174	0.5
253.05099	0.8
267.06973	0.5
267.35352	0.4
269.78500	0.4
271.06091	100.0
272.06454	9.6
295.06104	0.4
306.70544	0.5
313.05524	4.2
401.12555	1.4
433.11539	14.4
433.16864	1.7
433.24680	0.6
434.11993	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	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05544	0.9
57.03429	1.6
59.01366	4.9
61.81806	1.0
63.02405	6.0
65.00331	9.9
74.22433	1.3
78.82673	1.3
83.01395	6.2
93.03453	1.1
95.01346	1.4
96.02189	1.9
107.01379	12.4
111.00854	2.9
117.03452	3.9
119.05038	1.4
123.00855	3.8
124.01685	14.7
125.02454	15.5
134.03755	4.4
135.04526	3.9
139.00356	4.3
151.00365	46.8
152.01155	98.6
152.97615	1.0
153.01488	4.0
169.01476	3.3
173.06046	2.7
178.99861	97.1
180.00433	8.7
183.32744	1.2
190.51883	1.2
193.50975	1.0
201.05563	1.1
215.07301	1.5
225.05617	2.5
229.01883	1.4
243.06638	1.6
259.06131	25.9
260.06439	3.6
269.04544	100.0
270.04877	8.7
286.04834	19.8
287.05582	36.2
288.06003	2.4
381.78671	1.1
405.12054	1.5
433.11380	82.2
434.11676	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	432.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29546	1.6
61.98829	100.0
66.80542	1.4
67.00870	1.6
70.92242	4.1
83.79922	1.9
95.04558	1.9
98.53359	1.7
121.28688	1.6
415.32098	2.9
433.33029	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01379	57.1
60.77231	0.7
61.98833	4.8
63.02396	5.4
63.99611	0.8
65.00320	8.7
69.21187	8.4
71.01392	6.4
73.02927	1.6
77.01250	1.0
81.03481	0.8
83.01382	6.0
85.02937	2.8
89.02446	4.6
93.03430	2.1
95.01390	2.3
101.02451	4.5
105.86915	0.9
107.01389	11.8
108.02170	1.1
109.02934	2.0
111.00861	3.3
113.02412	1.4
113.33644	0.9
117.03448	3.8
119.03461	1.2
119.04980	0.8
123.00861	2.7
123.04517	2.3
124.01648	16.4
125.02456	16.2
133.02884	1.1
134.03728	2.3
134.12872	0.8
135.04527	6.3
137.02417	1.8
137.06039	1.2
139.00334	4.8
141.01947	1.4
147.04524	1.6
149.02435	0.8
150.03181	1.2
151.00363	40.1
152.01152	93.8
153.01505	2.9
161.02451	1.0
161.04504	2.2
164.14558	0.9
165.04611	0.7
165.05580	8.1
169.01340	2.6
172.05200	1.1
173.06078	1.8
175.04118	0.8
177.05611	0.8
178.99855	100.0
180.00320	5.3
193.01353	0.9
197.06039	1.9
197.11768	1.5
199.03981	0.9
201.05511	1.3
215.07068	2.5
217.44923	0.7
225.05556	2.2
241.05084	1.5
243.06555	2.7
253.08650	2.2
259.06107	26.5
260.06439	2.9
269.04538	83.7
270.04901	8.9
271.09732	17.2
272.10083	1.7
286.04819	16.8
287.05573	25.9
288.05814	2.4
373.13141	0.9
401.12238	1.6
433.11243	52.4
434.11646	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	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03488	10.9
57.77678	9.9
59.01372	49.4
61.98831	35.0
62.02215	11.2
65.61411	10.1
93.00114	13.7
98.20632	21.0
119.05016	30.4
120.05341	15.2
131.03789	9.6
145.02931	87.9
146.03270	40.7
162.02641	11.0
163.04013	21.6
163.11322	16.7
164.04282	13.0
164.11598	16.0
197.12080	13.9
200.04662	12.8
206.58353	14.6
337.21719	30.1
338.22009	100.0
339.22946	19.4
371.21689	17.5
432.24756	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72640	1.3
59.01379	5.1
61.98831	100.0
63.34791	1.1
69.31776	7.1
69.32183	3.5
96.70631	1.2
98.20720	2.4
101.13358	1.2
126.04714	1.2
228.03459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.9
61.98830	100.0
71.50645	1.2
114.91920	1.4
123.00713	1.2
193.60170	1.2
197.11790	2.2
338.00974	1.0
368.69421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.4
60.01717	1.5
61.01801	1.2
61.98830	100.0
62.02138	0.5
63.45012	0.5
64.70306	0.6
69.56352	4.0
71.01379	2.5
76.37206	0.5
78.95919	0.7
79.29302	0.5
89.02460	2.6
91.02865	0.8
101.02446	1.2
102.99335	0.9
113.02421	1.1
125.02457	1.6
174.02992	0.5
240.04536	0.6
241.04800	0.9
242.05562	0.7
301.03574	0.8
311.30991	0.6
427.61761	0.7
432.10159	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17463	0.2
53.12149	0.3
57.03451	1.9
59.01379	11.9
60.01725	0.3
61.98828	12.6
63.02084	0.5
63.02396	5.5
65.00318	8.2
65.24374	0.2
66.38165	0.3
67.01874	0.3
68.99831	0.7
71.01381	7.1
71.28148	0.4
72.99316	0.7
73.02937	0.8
73.57898	0.2
78.95906	0.8
79.97571	0.2
81.03437	1.1
83.01384	6.0
83.01888	0.3
85.02964	2.6
87.00889	0.8
89.02441	5.3
93.03443	1.7
95.01385	2.1
96.02183	1.0
97.02960	0.5
99.00877	0.5
101.02439	4.4
102.05592	0.5
102.88213	0.2
103.04021	0.4
105.03461	0.3
107.01387	11.0
107.05047	0.3
108.02187	0.3
109.02944	0.8
110.00087	0.5
111.00866	3.1
113.02450	2.3
113.12331	0.3
117.03465	2.7
119.03509	2.8
119.05023	1.0
121.02952	0.9
122.02530	0.3
123.00879	3.6
123.04524	0.9
124.01661	16.3
125.02441	15.3
128.03528	0.3
131.03395	0.3
131.05046	0.6
133.02954	1.1
134.03752	3.3
134.04721	0.4
135.04529	4.6
137.02425	1.1
139.00375	4.1
141.01927	1.7
143.03520	0.5
145.06570	0.3
146.04601	0.9
149.02455	1.2
151.00368	39.9
151.03978	0.7
152.01147	99.2
152.33241	0.2
153.01924	1.3
157.06607	0.6
158.03683	0.3
159.03140	0.2
159.04520	0.6
161.02496	0.6
161.04533	1.9
163.00345	0.3
164.01233	0.2
165.01938	0.9
166.99916	0.4
167.03517	0.2
169.01421	3.3
169.06563	0.8
170.05447	0.2
171.04585	0.4
172.05302	0.6
173.06062	1.9
175.03998	0.4
177.05605	1.4
178.99854	100.0
179.05563	1.2
180.00700	1.3
181.06615	0.4
183.04530	0.5
184.00044	0.5
187.07593	0.4
191.26215	0.2
192.00670	0.5
193.01389	0.6
195.13968	0.4
196.05371	0.5
197.06090	1.0
197.11823	0.3
199.04054	0.5
199.07640	0.5
201.05566	1.9
203.03500	0.5
213.05487	0.4
215.07162	2.0
219.06641	0.5
224.04883	0.3
225.05534	2.8
227.03630	0.5
241.04959	1.3
243.06621	2.4
253.18150	0.3
259.06100	28.9
268.03708	1.0
269.04535	78.2
270.04773	0.3
271.06036	0.9
271.19174	0.3
285.07724	0.3
286.04831	15.4
287.05606	26.1
300.03122	0.3
329.06418	0.3
405.11902	0.5
429.60519	0.3
431.16507	0.3
432.10092	1.9
433.11368	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40353	1.2
53.05749	1.3
57.31998	1.3
59.01379	69.3
60.01713	2.4
61.98829	100.0
68.43533	1.4
71.01379	14.7
71.02242	1.2
71.52380	1.8
73.02944	8.0
75.96463	1.2
78.70510	1.2
78.95893	6.0
83.01382	4.1
85.02946	3.6
89.02451	6.6
101.02441	10.2
109.02908	1.6
111.66072	1.5
113.02454	5.7
119.03472	4.8
125.02436	6.0
134.04668	1.8
137.02467	1.3
137.26952	1.5
151.00372	1.6
151.04013	1.7
161.04494	4.2
164.01079	1.3
175.03857	1.4
176.04424	1.4
179.05487	1.4
198.03020	1.6
201.41977	1.3
217.04599	1.7
242.05482	1.7
243.02942	1.9
253.05070	1.3
271.02423	3.3
271.06082	3.1
300.02689	4.0
301.03522	6.8
373.22247	2.5
401.12314	7.2
432.10336	4.9
433.24286	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	432.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
60.66537	0.2
71.01373	0.7
71.06786	0.5
89.02455	0.6
99.00868	1.0
108.02172	8.1
109.02441	0.3
114.51868	0.3
124.01649	0.3
125.02458	0.4
138.01973	100.0
139.02319	3.5
180.03006	1.4
185.06175	0.3
227.07191	2.1
401.12479	0.3
428.91519	0.3
432.11285	2.7
433.11533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02464	0.5
57.03448	0.6
59.01379	100.0
60.01715	0.8
61.98838	1.5
63.58635	0.5
70.17692	2.2
70.18031	0.4
70.53177	0.5
71.01380	7.1
72.99319	0.8
73.02934	2.5
75.79604	0.5
77.47748	0.4
78.13564	0.5
83.01418	0.8
83.63360	0.5
85.02944	2.6
87.00871	0.8
89.02443	5.6
97.02935	0.6
98.19894	0.6
99.00893	1.5
101.02443	7.3
113.02425	2.6
119.03503	4.4
125.02454	1.1
142.04614	0.4
143.03546	0.5
151.04002	0.6
161.04555	3.5
162.39752	0.5
163.04024	0.7
165.12860	1.5
167.06082	0.6
179.05663	0.7
191.14406	1.6
209.15572	1.1
251.16731	0.7
275.16736	0.8
327.18365	1.2
371.20724	3.3
372.21405	0.7
376.26419	0.6
382.79483	0.6
390.80219	0.6
431.23038	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01390	1.3
62.96396	0.3
78.95901	57.2
96.95982	0.3
96.96958	6.4
98.19896	1.1
103.23438	0.3
112.81212	0.3
150.98039	1.8
152.99579	100.0
153.99919	1.8
161.88837	0.2
171.00652	3.6
176.67220	0.3
183.58934	0.3
229.71613	0.4
266.61755	0.3
277.21689	1.0
428.82959	0.3
431.22040	4.9
432.22577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
50.34694	0.5
51.79255	0.6
59.01369	2.3
61.98807	0.5
71.50317	0.9
78.95901	72.9
96.96978	5.6
98.80378	0.5
150.98013	1.3
152.99580	100.0
153.99928	1.4
171.00618	2.2
183.20154	0.6
277.21713	1.5
284.83850	0.6
407.91156	0.7
431.21909	10.3
431.33438	1.1
432.22308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29344	0.6
55.01881	1.1
57.03448	2.9
58.00586	0.8
59.01379	100.0
60.01709	1.1
61.98821	4.8
67.01887	0.9
71.00821	1.3
71.01381	14.3
72.99310	1.5
73.02953	2.2
78.95917	0.8
81.03453	1.0
83.01401	2.2
83.05042	0.6
83.32053	0.6
85.02935	4.4
86.50790	0.6
87.00891	1.1
88.98798	0.9
89.02444	13.5
95.01385	1.6
95.05039	1.6
97.02992	0.6
99.00876	1.6
101.02438	9.9
107.05041	1.2
109.02953	1.2
113.02452	5.0
119.03493	6.4
121.02955	0.9
123.04549	0.9
125.02454	16.0
126.02752	0.8
131.03584	1.0
137.02438	3.7
143.03506	0.9
151.00357	1.5
151.03993	7.2
152.01241	0.7
158.03569	0.6
161.02492	0.8
161.04567	3.3
164.01143	2.7
165.01930	1.3
165.12979	0.7
167.03490	0.6
167.27144	0.6
177.02023	1.5
179.03481	9.1
179.05661	1.7
187.07651	5.8
191.14427	1.2
207.90259	0.6
269.17755	0.8
305.10223	3.3
305.20343	0.5
346.82645	0.6
371.20874	1.9
399.14703	1.1
408.93167	0.6
413.12448	2.0
431.13571	5.0
431.22421	11.7
432.14203	1.1
432.23312	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.9
59.01377	7.0
61.98822	3.3
70.17274	2.4
71.01389	4.4
73.02936	1.0
75.00872	1.1
83.01385	1.3
85.02966	3.0
87.00887	0.8
88.98825	1.5
89.02446	5.4
93.03432	1.8
95.01354	0.8
97.02939	2.1
99.00898	1.2
99.04490	3.9
101.02441	3.0
108.02183	11.0
109.02964	9.2
113.02421	1.8
115.73557	0.6
119.03500	0.7
121.02974	0.9
123.00868	0.8
123.04503	2.5
125.02445	17.1
133.05054	1.5
135.04517	8.4
137.02478	1.8
137.06067	1.1
147.04468	3.7
149.05997	1.0
151.04013	2.8
152.01154	14.9
153.01961	6.6
161.02486	1.5
161.04514	1.3
161.06056	1.7
180.07921	43.1
181.08276	2.5
192.07925	32.9
193.08650	7.1
195.10262	17.6
196.10678	1.0
207.10260	24.1
208.10587	1.6
209.08218	1.3
210.08966	19.7
225.11314	100.0
226.11620	7.2
289.07034	1.1
297.06009	1.0
315.07379	1.7
344.87247	0.7
387.09351	2.9
431.11731	20.5
432.12198	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	431.1558
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
50.59811	0.4
55.01865	0.6
57.03196	0.6
57.03450	9.3
59.01379	9.5
61.98821	1.5
69.03465	0.7
71.01380	13.9
71.51389	0.6
72.99277	0.6
73.02950	4.4
75.00869	0.5
81.03455	1.2
83.01382	1.4
85.02943	6.1
87.00878	1.0
88.98792	0.7
89.02446	5.4
93.03472	1.2
95.01391	1.1
97.02942	2.4
99.00883	7.1
99.04507	5.0
101.02444	9.0
106.04230	2.1
107.05029	1.3
108.02198	0.8
109.02985	0.5
113.02443	6.6
114.10133	0.4
119.03519	0.5
119.05038	5.9
123.04524	1.0
125.01523	0.8
125.02446	15.7
131.03467	1.0
135.04556	0.9
137.06082	100.0
138.06421	4.7
143.03491	1.6
149.06062	1.4
151.04004	1.2
152.01109	0.9
153.01897	0.5
159.03009	1.1
161.02539	0.7
161.04541	13.0
161.05870	0.9
168.11801	0.5
180.07886	2.4
191.05586	1.1
192.07939	2.1
195.06496	0.5
195.10289	0.9
207.10295	1.9
210.08920	0.8
225.11284	6.8
289.07321	0.6
293.08835	0.5
299.11331	4.2
300.11572	0.5
355.19299	0.5
395.15469	0.9
431.15686	25.3
432.16266	3.4
449.69516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
51.58936	1.2
57.03446	9.6
58.00592	2.9
59.01380	100.0
60.01703	1.5
61.98845	2.0
69.49702	4.2
69.50138	4.4
71.01384	49.8
72.99310	3.5
73.02948	18.6
83.01392	3.0
85.02946	15.3
86.03279	1.5
87.00887	2.8
89.02446	67.1
95.01370	5.8
99.00880	63.8
99.04540	5.8
101.02446	24.9
108.02197	2.1
109.02953	1.9
113.02449	35.1
114.79585	1.3
119.03542	16.9
119.05030	25.8
123.04490	2.1
125.02437	17.7
131.03497	10.6
136.05309	1.6
137.02478	1.6
137.06111	6.4
143.03506	3.8
149.04562	28.2
149.05710	2.0
150.04845	1.7
151.04036	2.4
152.01147	2.3
153.02054	1.3
159.45412	1.3
161.02516	2.7
161.04564	14.7
171.06261	1.1
179.03503	1.6
179.05623	5.2
181.96855	1.1
191.05620	27.1
192.07979	3.3
194.05873	2.0
195.06631	1.3
196.06299	1.4
205.03619	1.7
207.10187	2.0
209.08080	5.9
233.06619	5.9
251.09312	3.6
269.10339	3.8
289.07169	1.5
299.11395	20.6
300.11688	2.7
343.62003	1.3
374.18509	1.4
431.15665	68.3
432.16040	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	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
60.99305	11.2
69.55389	6.4
69.86263	0.9
85.04141	1.2
88.98804	100.0
89.02433	3.5
89.99177	1.1
94.53131	0.8
111.04539	2.8
127.04041	6.5
131.03427	1.0
134.03752	1.0
141.38951	1.0
155.03526	5.4
190.77124	0.9
199.02437	2.4
211.00124	1.2
254.99084	1.8
292.05411	0.9
350.30429	1.0
368.56033	1.0
454.33313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42123	0.9
59.01380	100.0
62.46980	0.9
67.35922	0.8
80.86320	0.9
87.92922	1.0
91.03990	1.8
155.48947	1.0
169.58800	1.1
223.72729	1.0
295.22769	9.2
296.23138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16340	0.9
53.01167	0.9
61.98793	1.0
66.65850	1.0
67.39236	0.9
72.99306	13.9
73.02939	6.2
75.00869	72.7
76.01187	1.1
90.62881	0.9
94.11489	1.0
115.48668	0.9
131.51546	1.0
221.42450	1.1
238.93172	0.9
260.10867	1.4
429.35809	100.0
430.36096	15.0
446.97565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22371	10.4
59.01376	100.0
60.01712	13.2
61.98818	45.4
66.05011	10.8
68.96915	11.6
71.50320	16.2
71.50690	13.3
122.74103	12.7
138.72269	13.4
149.58963	12.8
195.13503	12.5
236.98602	11.5
270.07516	12.6
307.49088	11.9
359.29404	14.9
431.31696	20.7
446.66071	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	430.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.44486	14.6
61.98833	56.5
70.68051	29.3
70.68361	17.8
114.64393	17.0
132.02904	14.4
148.73514	14.2
151.77592	13.9
164.70653	20.2
348.17355	17.1
350.69186	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.91127	0.4
57.21007	0.4
59.01379	7.3
60.15096	0.4
61.98812	1.1
63.02399	0.9
64.51065	0.4
65.00314	0.9
69.34472	3.2
73.02976	0.5
83.01374	0.9
85.02967	0.7
89.02464	0.7
93.03445	2.1
101.02443	1.0
107.01356	2.2
109.02957	0.7
125.02412	1.2
132.02151	0.9
134.03697	0.4
135.00858	1.7
137.02446	0.9
143.05043	0.9
145.06459	0.4
149.86671	0.4
151.00360	3.3
152.01140	1.6
153.01964	0.6
159.04465	1.4
161.02419	0.4
161.04510	0.6
163.00371	1.9
165.01967	0.6
167.05040	0.8
169.01425	0.6
169.06544	1.1
171.04538	1.1
178.99858	1.5
183.04463	1.6
185.06024	2.8
187.03976	3.3
189.05539	0.8
195.04459	0.6
196.05083	0.4
197.06024	0.8
197.10909	0.4
199.04018	1.2
201.05630	0.5
210.03441	0.4
211.03978	3.1
212.04451	0.5
213.05510	1.5
227.03487	51.3
228.03857	4.8
229.05032	10.4
230.05339	0.8
239.03477	2.4
240.04213	0.8
241.04944	1.7
243.02913	0.9
251.12907	0.7
255.02971	71.3
256.03503	10.6
257.04526	6.3
258.04941	0.7
259.06055	0.8
267.02750	0.6
268.03787	1.0
269.04510	2.8
270.05002	0.5
283.02396	0.6
284.03247	64.1
285.04016	100.0
286.04376	10.4
327.05090	0.8
365.92133	0.4
371.20453	0.7
380.08066	0.4
431.09796	56.4
432.10129	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	429.2127
Annotation	Dendroside F
Peak:m/z	Relative Intensity
50.98500	0.4
55.01870	2.2
57.03438	2.3
58.00577	1.5
59.01381	30.1
61.98822	0.6
69.86081	2.4
71.01379	21.1
72.01728	0.6
72.99297	1.5
73.02944	7.0
75.00880	0.9
78.91889	0.6
83.01387	4.4
85.02946	12.2
87.00870	1.5
89.02442	9.2
95.01387	2.2
97.72319	0.5
98.20562	0.8
99.00882	3.0
101.02443	19.0
111.00825	0.7
111.04492	1.0
113.01731	0.6
113.02460	8.4
116.43362	0.6
117.00856	0.5
119.03499	2.3
121.02960	0.8
125.02465	0.8
129.01927	1.0
141.29230	0.5
155.10776	0.8
159.02971	0.7
161.04538	2.2
198.03990	0.5
205.03561	0.5
205.15916	1.9
223.04552	1.2
223.09644	1.0
267.15915	0.6
281.10104	0.5
429.21274	100.0
430.15512	0.8
430.21606	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88357	0.1
59.01361	0.1
61.98827	0.9
62.20749	0.1
70.91967	0.4
70.92313	0.2
83.43381	0.1
95.86215	0.2
96.96011	0.1
99.92580	5.5
100.92671	0.5
100.93362	6.5
101.93389	0.5
111.72231	0.1
113.92613	0.2
115.92075	100.0
116.92081	5.4
116.92868	5.8
117.92921	0.3
132.92358	1.1
142.94452	0.2
155.95197	0.3
172.95464	4.0
173.95392	0.2
209.77788	0.2
255.23314	0.5
355.03433	0.2
355.15906	0.6
356.16010	0.2
371.15469	0.5
381.17377	0.8
429.19397	3.4
430.19678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85552	0.6
57.03452	0.7
59.01376	100.0
59.14907	0.5
60.01704	1.0
71.01369	7.3
71.52207	0.8
71.52563	0.6
73.02969	0.6
85.02978	1.3
87.00902	0.6
89.02440	7.5
93.76135	0.6
99.02364	0.6
101.02441	3.2
113.02464	2.5
119.03475	2.9
141.42172	0.6
143.03516	0.7
152.01210	0.6
161.04530	1.1
179.05693	1.5
285.73224	0.7
367.11533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98840	1.0
69.50909	1.1
70.27505	3.3
71.01379	13.3
72.99309	1.4
73.02951	1.4
85.02958	2.5
87.00889	1.7
89.02451	17.9
101.02442	9.4
113.02449	6.9
119.03489	8.8
121.02863	1.1
125.02464	1.7
126.77363	1.1
137.02428	1.3
137.09708	1.4
143.03419	1.4
152.01161	1.6
158.57118	1.2
161.04604	2.9
161.13341	3.9
174.01630	1.2
179.05602	1.7
187.11198	1.7
205.12267	7.6
223.13400	4.4
249.11363	6.2
255.96909	1.0
267.12366	2.6
267.15750	1.3
369.15738	1.7
429.17075	2.5
429.22250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42105	1.0
57.03436	1.9
58.00584	2.5
59.01376	100.0
60.01707	1.6
67.94075	1.0
69.26448	8.4
71.01381	40.0
72.99287	4.0
73.02950	1.6
75.02187	1.0
83.01379	3.8
83.09790	1.0
84.83134	0.9
85.02946	6.3
86.83788	0.9
87.00864	2.2
89.02441	44.0
93.81705	1.0
95.01363	2.3
96.95956	1.1
99.04532	5.3
101.02436	23.6
109.02946	2.0
113.02444	16.7
119.03484	20.3
123.04482	1.3
125.02408	1.7
131.03468	1.2
143.03502	3.0
149.04509	1.6
153.01927	2.6
161.04512	1.8
161.13338	18.2
162.13673	1.0
179.05635	5.3
187.11226	2.2
205.12306	35.7
206.12637	3.4
207.10211	2.3
223.13388	9.2
249.08649	1.9
249.11282	40.2
250.11641	3.0
267.12329	8.5
401.53009	1.1
429.17056	5.2
430.17261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
58.00586	3.2
59.01378	100.0
60.46180	1.7
61.98832	13.8
64.74139	1.4
69.47717	11.2
71.01382	47.2
72.99298	5.0
73.02966	2.6
83.01385	3.8
85.02939	11.3
86.37897	1.6
87.00893	3.0
87.25871	1.5
89.02445	50.6
91.01896	4.8
92.67406	1.4
94.66294	1.3
95.01390	4.3
99.04499	5.4
101.02438	23.5
102.05602	2.6
109.02945	18.3
111.04508	4.7
113.02448	18.0
119.03510	24.7
123.04551	2.1
125.02463	8.4
128.03546	1.7
131.03542	2.2
135.00858	7.4
135.08121	3.1
137.02441	6.3
143.03514	4.5
146.04654	3.0
149.02336	1.7
153.01913	6.5
161.04543	5.6
161.13377	19.7
170.82317	1.5
179.05591	6.2
187.11249	3.5
202.68106	1.5
205.12341	60.2
206.12637	5.7
243.14380	1.5
243.92679	1.7
249.11307	64.6
250.11629	4.8
267.16010	2.7
271.06174	3.6
289.07153	4.3
304.50305	1.7
429.10687	12.1
429.16574	12.5
430.11270	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.5
57.27734	0.7
59.01379	100.0
63.08169	0.9
69.03447	1.4
71.01382	15.8
71.05009	1.2
72.99323	1.8
73.02953	2.6
73.04071	3.5
83.01415	2.4
83.05040	1.0
85.02969	4.2
85.87616	1.0
87.00857	5.9
88.94614	0.9
89.02444	15.9
95.01369	1.4
97.04082	1.0
97.06612	1.9
98.19765	1.8
101.02443	8.6
107.05024	6.8
108.02171	3.0
109.02959	1.5
113.02448	7.7
115.05132	6.4
116.73750	0.8
119.03507	5.3
120.05867	1.5
125.02408	1.1
130.06207	1.4
130.08746	11.5
134.03712	1.5
135.04526	34.0
136.04799	1.3
141.34198	0.8
141.35640	0.9
143.03525	1.1
143.11996	1.3
152.01143	3.5
159.11765	1.6
161.04553	2.1
161.09700	9.6
161.13358	4.1
163.11275	2.0
168.09148	1.0
172.07198	1.2
179.05630	1.8
185.00870	1.2
187.11282	15.9
188.11685	1.8
189.09221	5.6
199.18163	6.1
203.10780	1.2
205.12331	3.6
207.10222	2.5
207.13876	1.0
223.13383	62.0
224.13806	4.7
229.12233	1.6
229.40820	1.2
243.16963	1.1
249.11362	6.1
256.20291	5.1
267.12363	52.5
268.12741	4.9
297.09747	2.1
297.26199	0.9
369.15488	1.5
399.22394	8.1
411.22351	2.4
429.13699	2.9
429.17822	2.8
429.23413	16.3
429.90237	1.0
430.23557	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48748	0.3
55.01875	0.9
56.99812	0.5
57.03443	1.4
58.00592	4.6
58.28997	0.3
59.01378	100.0
60.01715	1.2
61.98840	0.8
69.03458	2.0
69.30784	1.0
69.31207	1.8
71.01381	40.6
72.02111	0.4
72.99310	5.8
73.02945	40.5
74.03271	0.3
75.00878	1.0
81.03461	1.1
83.01405	2.6
85.02951	17.3
86.00082	2.3
87.00874	13.4
87.04515	5.5
89.02444	33.5
90.02736	0.4
95.01431	0.9
97.02962	1.7
99.00873	1.0
99.04511	0.8
101.02443	60.7
102.02784	1.1
103.04009	27.7
104.04354	0.5
108.02175	4.9
109.02959	5.4
113.02442	4.5
115.04009	9.1
119.03495	14.7
123.04559	0.4
125.02439	3.3
127.04025	2.4
128.04329	0.4
131.03496	12.6
132.03796	0.6
133.05009	0.4
143.03497	16.1
144.03790	0.9
145.05063	8.6
151.03987	0.4
152.01144	4.5
153.01944	2.2
161.04494	0.7
163.06117	49.3
164.06468	2.0
165.55704	0.3
179.05577	1.0
205.07164	30.0
206.07503	1.4
265.09280	1.4
308.26517	0.3
385.11392	0.8
429.13858	5.7
430.14163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12496	0.5
51.57629	0.5
59.01366	1.0
61.98829	38.7
66.58663	0.5
71.49317	0.5
71.50005	0.6
81.03449	1.5
83.16621	0.5
90.59682	0.4
99.92595	4.6
100.93371	3.5
102.56853	0.6
112.95761	0.5
113.92622	1.9
115.92082	100.0
116.92862	5.8
132.92371	1.0
144.63530	0.5
172.95447	5.6
255.23372	1.2
255.73840	0.6
355.15903	0.6
358.79266	0.6
365.26923	2.3
366.27237	0.6
381.17206	1.0
415.16037	0.5
429.19531	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	429.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38374	0.8
54.21215	0.7
55.01883	5.1
57.03448	20.8
59.01371	2.4
61.98818	1.3
67.01899	1.9
68.99831	1.2
71.01379	7.6
71.25821	1.2
73.02939	2.2
75.00889	1.6
83.01388	10.1
84.02173	3.3
85.02950	100.0
86.03274	1.9
96.83607	0.8
101.02440	5.1
107.60255	0.8
109.02938	2.3
111.00880	29.2
112.01266	1.2
121.02953	1.7
125.02457	1.6
129.00957	1.9
129.01941	40.3
144.66644	0.8
149.02425	9.5
161.04543	1.9
162.01091	0.9
164.04788	5.3
187.02423	1.2
193.01566	1.2
205.03525	24.6
205.05424	1.3
206.03831	1.6
208.03784	0.9
220.53827	1.1
223.04391	15.4
223.06210	4.3
288.76056	0.9
311.28531	1.0
411.35306	0.9
429.10287	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.4
55.01879	0.5
55.36246	0.4
59.01376	6.8
59.10306	0.3
59.46629	0.4
61.48097	0.4
65.00285	0.4
65.03961	6.4
67.01880	3.0
68.99828	0.5
69.53024	0.5
69.53442	2.0
71.01375	3.6
72.99312	1.5
73.02937	2.5
73.48806	0.4
76.37128	0.4
81.03476	0.4
83.01394	1.0
85.02950	3.4
87.00874	0.5
89.02448	1.4
91.01894	23.5
91.25790	0.4
92.02219	1.1
93.03493	0.4
94.36765	0.4
95.01377	1.1
97.02947	0.8
98.19884	0.5
99.00881	2.0
101.02429	1.5
108.02167	0.8
109.02946	100.0
110.03281	3.2
111.04494	0.3
113.02438	5.1
119.04965	0.7
121.02947	3.1
123.04531	2.6
125.02453	0.8
131.05038	0.9
132.84308	0.3
133.03003	1.8
135.00882	51.3
135.04514	1.2
136.01190	1.9
137.02444	10.0
139.04039	0.5
143.03499	0.7
147.04503	3.0
148.01672	3.6
149.02423	1.5
149.06058	1.6
151.03970	2.3
153.01930	42.7
154.02252	1.7
159.04486	1.5
161.02483	0.8
161.04523	0.4
161.06032	1.1
162.03242	0.7
163.03984	2.6
165.05547	1.7
167.03441	0.7
175.03999	2.0
177.01926	2.3
177.05551	2.0
179.03574	0.4
186.73839	0.4
187.04018	3.1
189.05528	0.5
191.03525	0.5
193.05179	0.5
205.05048	3.5
207.06610	0.5
222.70190	0.4
223.06133	0.7
253.07245	0.4
297.06171	1.7
385.11520	0.7
429.10330	90.9
430.10703	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	429.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81525	1.3
57.03449	17.7
59.01379	92.1
61.14486	1.6
61.98828	71.3
69.03455	2.4
71.01379	21.6
71.52068	1.6
72.99285	1.5
73.02947	5.0
79.69159	1.4
81.03457	5.3
83.01381	15.9
85.02956	6.8
89.02442	16.6
92.31445	1.5
93.03446	2.6
95.01372	2.0
95.05022	4.0
96.95977	2.1
97.02942	6.2
99.00883	1.5
101.02454	10.1
108.02209	1.8
109.02942	26.3
111.00890	3.8
112.94177	1.5
113.02471	8.4
119.03499	4.8
121.02975	4.8
123.04538	14.2
125.02448	100.0
126.02790	3.3
133.02946	1.8
135.00851	6.9
135.04462	2.4
135.08188	3.3
137.02441	76.1
138.02838	4.2
139.03966	2.5
143.03516	1.6
145.02942	27.1
146.03699	2.9
149.02402	11.8
149.04758	1.6
150.03195	5.3
151.03973	11.4
153.01909	12.9
159.04556	11.9
160.05229	1.7
161.02449	2.1
161.04573	4.9
161.06065	11.1
161.13399	2.6
165.01924	6.4
167.03429	2.3
175.04030	2.3
177.05453	1.9
179.03436	3.0
179.05603	2.4
183.04518	2.3
185.06075	6.4
187.04004	10.2
188.04706	2.9
201.05562	3.8
202.06197	1.9
203.07159	16.3
205.05121	4.9
205.12288	3.0
207.10303	1.7
209.06059	2.2
211.03911	2.5
212.04610	2.0
221.08116	2.3
223.13379	3.9
227.07129	6.0
229.05060	3.5
230.02411	1.7
245.08195	14.6
249.11333	4.2
253.04924	10.8
260.23541	1.5
267.12375	3.1
267.16000	3.6
271.06094	37.7
272.06464	3.0
279.12415	4.5
289.07169	72.6
290.07553	7.2
369.19241	5.1
385.16608	8.2
387.20035	3.1
429.10461	4.9
429.15955	3.7
429.21259	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	427.1606
Annotation	Furcatin
Peak:m/z	Relative Intensity
51.39159	0.5
55.01876	1.5
57.03441	1.2
58.00579	0.5
59.01377	14.6
61.78915	0.4
61.98846	0.4
64.92896	0.4
69.38654	3.6
71.01378	25.1
72.99294	0.4
73.02943	8.4
83.01379	2.4
84.88257	0.4
85.02943	9.8
85.08257	0.4
87.00885	0.6
89.02447	4.6
95.01392	1.4
97.02961	0.8
99.00876	11.9
99.01530	0.6
101.02442	11.9
101.96597	0.4
113.02438	10.8
115.03983	1.0
119.03517	0.5
123.04551	0.6
125.02446	1.3
127.04013	0.9
131.03537	1.1
131.05019	1.2
132.05843	2.5
133.06590	100.0
134.06911	5.9
143.03481	1.6
155.03506	0.8
155.75494	0.5
159.02989	2.6
161.04541	29.4
162.04903	1.0
164.69151	0.5
191.05624	0.5
205.03569	0.6
280.38232	0.4
293.08926	0.5
295.11868	3.3
320.87143	0.5
393.23538	0.5
401.10626	0.5
427.15997	26.9
428.16251	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48110	1.3
59.01376	100.0
70.97948	2.6
72.58421	1.3
82.47968	1.3
109.39862	1.2
200.99261	1.2
204.84587	1.2
293.21118	7.3
300.58621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48110	1.3
59.01376	100.0
70.97948	2.6
72.58421	1.3
82.47968	1.3
109.39862	1.2
200.99261	1.2
204.84587	1.2
293.21118	7.3
300.58621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12107	0.9
58.00521	0.7
59.01367	3.3
60.52636	0.8
61.98833	4.5
66.58074	0.8
68.99799	0.8
69.03450	2.2
70.70446	2.0
71.01380	2.0
73.63289	0.7
78.95907	1.0
81.03452	2.3
83.01392	8.4
85.02919	1.4
93.03441	2.3
95.05016	2.8
97.02950	14.0
101.02466	1.0
104.93373	0.8
108.02190	2.9
109.02954	36.3
110.03267	2.5
119.05024	1.3
121.02958	8.5
122.03800	4.2
123.00888	2.3
123.04525	39.6
124.01637	0.9
124.04844	1.8
125.02441	7.1
126.02764	1.5
133.02950	1.8
133.05319	1.3
135.04491	6.2
137.02434	5.1
139.03984	6.2
145.02950	5.6
146.03749	5.1
147.04474	1.0
148.07704	1.6
149.02431	16.4
149.06082	1.4
150.03210	1.8
150.09222	2.7
151.02824	1.4
151.04007	12.0
153.01935	2.7
154.02335	1.7
159.04547	5.2
160.05183	1.0
161.02394	4.1
161.06070	11.3
162.03232	4.9
163.03983	6.4
164.10802	1.7
165.01942	1.4
173.06042	1.1
175.03914	3.0
177.01884	1.5
177.05495	5.0
178.08800	1.0
187.04008	7.4
187.09897	1.2
188.04781	5.1
188.10730	1.5
189.05449	1.1
190.08641	1.5
201.05540	1.5
202.06435	1.1
202.12430	1.4
203.03525	1.1
203.07155	11.1
204.07356	1.9
205.05055	22.6
216.10313	1.2
229.04962	1.3
230.05809	3.8
230.07967	0.9
231.02921	2.1
232.09657	1.3
247.06171	5.2
256.03510	0.9
262.10834	9.5
263.11261	1.0
272.06436	1.3
272.09247	2.0
274.10818	2.2
276.12500	1.2
289.07156	1.3
302.10275	6.6
303.10663	0.9
304.11847	1.3
316.11832	2.6
340.15506	1.7
358.16534	2.2
382.16559	22.8
383.16919	3.5
408.08279	4.3
408.13376	1.1
410.33148	1.0
426.15561	100.0
427.15778	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.7
61.98834	0.5
70.93069	0.5
136.36667	0.5
158.10622	0.4
167.14413	0.9
183.12222	0.7
183.13898	12.3
184.14169	0.8
193.12341	1.6
195.13905	23.7
196.14265	1.9
211.13388	32.9
212.13814	2.4
213.14963	10.0
214.15448	0.4
223.13475	0.5
315.26974	3.4
341.24811	1.0
351.85803	0.4
359.26016	2.7
360.26120	0.6
377.26968	3.0
389.26898	0.8
395.28098	1.1
407.28036	1.8
425.29092	100.0
426.29419	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11920	0.4
57.03454	0.6
59.01372	1.3
59.93910	0.5
70.16377	0.5
70.69530	1.4
71.13031	0.4
72.26967	0.4
79.16125	0.4
83.96016	0.4
97.06634	0.6
121.02801	0.5
145.22639	0.5
183.13905	10.4
184.14220	0.8
193.12303	1.4
195.13902	21.7
196.14230	1.5
211.13385	29.6
212.13721	2.4
213.14970	8.9
214.15315	0.5
223.13324	0.8
242.51929	0.4
261.33786	0.5
315.26892	2.8
341.24780	0.6
359.25967	2.5
371.25684	0.5
377.27023	2.9
378.26938	0.7
406.77646	0.5
407.27994	2.1
425.29083	100.0
426.29367	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	425.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49781	1.2
55.01864	3.6
57.03454	6.7
59.01381	76.7
61.98828	18.6
67.01893	1.7
67.05584	1.2
68.99770	1.6
69.03448	2.2
69.35730	7.0
69.36160	3.5
71.01382	40.6
72.99316	14.3
72.99708	2.1
73.02938	11.0
75.00468	2.0
75.00874	31.0
81.03481	7.6
83.01386	11.0
83.05033	3.6
85.02451	2.6
85.02952	44.8
87.00881	10.1
87.04512	1.8
89.02445	9.4
93.03477	5.7
95.01382	5.3
97.02964	9.6
99.00881	10.7
99.92545	1.8
101.02447	21.3
103.00352	2.0
108.02161	2.3
109.02953	21.9
111.04532	15.0
112.01696	1.7
113.02455	37.7
114.02774	1.5
115.00375	3.3
116.92841	1.9
117.01964	2.0
119.03490	2.3
123.04532	3.3
125.02443	4.5
125.06030	2.5
127.04013	6.0
129.01935	1.3
133.02934	1.7
134.03757	12.4
137.02411	4.8
141.05566	3.8
143.03514	1.8
144.24519	1.2
151.04007	4.0
155.03484	13.3
157.01318	1.6
159.02956	4.0
161.02437	1.4
161.04549	16.0
169.05029	3.4
171.02904	1.5
175.02383	3.5
175.03979	3.9
177.01904	2.4
179.05603	1.5
185.04546	19.8
187.04121	1.3
187.06099	7.9
193.05096	10.1
199.02507	7.8
201.05620	1.4
203.05597	4.3
203.12907	1.8
229.05070	1.6
231.05093	51.8
232.05475	2.6
249.06110	2.3
249.13402	3.1
253.05043	1.6
255.02959	3.4
256.03784	2.5
257.04559	1.6
273.03973	1.7
283.02786	1.5
307.13782	1.4
339.08783	1.5
365.14175	1.9
365.18185	19.5
366.18411	3.1
407.07715	13.7
408.08041	2.1
425.16614	100.0
426.17010	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	425.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
56.40408	0.8
57.03458	6.6
58.00598	1.0
59.01380	34.1
60.01707	1.0
61.98825	5.7
63.65511	0.7
67.01890	0.9
69.03445	1.2
70.46835	0.8
71.01381	26.8
72.99305	8.8
73.02936	7.2
75.00873	29.1
81.03453	3.1
83.01385	5.7
83.05026	2.0
85.02951	32.1
86.00172	1.0
87.00893	6.8
89.02437	2.8
93.03465	1.9
95.01387	3.3
97.02926	5.1
99.00878	11.0
101.02435	11.9
103.00370	1.1
105.63807	0.8
108.02139	1.1
109.02951	9.0
111.00911	0.7
111.04528	5.7
112.01682	1.4
113.02448	30.5
113.67712	0.9
115.00371	2.4
117.01909	1.6
119.03535	1.0
123.04554	0.9
125.02454	2.6
127.04024	2.8
129.01944	0.9
134.03809	4.0
137.02463	1.4
141.05589	1.4
143.03462	0.9
151.03970	1.2
155.03513	5.3
159.03041	1.6
161.04565	6.7
169.05020	1.1
175.02495	3.5
175.03938	1.8
185.04561	8.0
187.03824	0.9
187.06128	3.7
192.71806	0.8
193.05034	3.8
199.02461	2.9
203.05635	2.0
214.05522	0.9
228.95844	1.0
231.05072	22.5
232.05518	1.5
249.13452	2.4
257.04468	0.9
365.14163	1.1
365.18170	7.6
407.07706	6.0
425.16632	100.0
426.16998	11.8
446.36517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78338	2.3
59.01374	10.3
59.39286	2.0
61.98811	4.3
71.04766	1.7
71.05019	17.6
72.99296	8.1
81.03452	11.4
83.05013	22.1
93.03454	6.4
97.02942	5.2
98.20657	6.3
99.00880	2.5
109.02951	14.7
110.48104	2.4
111.04517	57.4
115.04012	100.0
116.04308	3.7
116.66335	2.3
119.11520	2.2
125.02464	4.1
125.24549	2.6
127.04020	89.3
128.04330	2.3
134.03741	63.3
137.02441	14.2
149.90300	2.2
155.03503	92.9
156.03838	5.0
169.01382	5.2
171.02933	2.8
175.03970	2.8
178.02660	3.9
193.05043	30.4
199.02463	30.8
217.03503	32.3
231.05048	27.1
255.06720	4.1
273.07608	3.5
334.49643	2.6
386.03397	2.6
393.08188	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	425.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93114	1.3
57.56799	1.6
59.01384	5.4
65.03579	1.2
68.16100	1.3
71.04642	1.9
71.05026	20.3
81.03459	11.2
83.05032	14.9
93.03467	4.9
97.02956	5.8
101.02437	1.7
109.02943	8.9
111.04522	56.6
112.04881	2.9
115.04011	100.0
116.04354	2.1
117.03447	3.0
127.04012	79.2
128.04350	3.3
134.02722	2.9
134.03737	42.6
135.04091	2.4
137.02451	16.6
149.06067	5.5
155.03499	84.1
156.03815	3.3
161.05977	1.5
178.02698	8.7
193.05043	37.8
194.05273	3.3
199.02486	33.8
217.03534	10.3
231.05058	22.0
232.05530	1.7
249.94958	1.4
274.44620	1.4
393.08185	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	425.088
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
57.03432	4.2
59.01355	1.6
60.73642	1.1
61.98818	1.3
65.00323	1.6
65.03943	3.1
67.01888	1.5
69.03437	3.7
69.59794	5.7
71.01347	2.1
72.99306	6.3
73.02956	1.4
81.03465	3.2
81.95990	1.0
82.06913	1.1
83.01389	17.8
83.05015	3.6
85.02975	1.5
93.03465	7.2
94.45733	1.1
95.05021	1.6
96.37317	1.2
97.02960	7.9
98.20598	2.2
107.05036	5.7
108.02150	2.7
108.04215	1.0
109.02950	35.8
110.03265	2.4
111.04522	6.8
113.02436	1.3
117.03464	1.7
119.05073	1.1
121.02942	3.6
121.06498	1.5
123.04528	17.4
124.01675	1.3
125.02452	41.6
125.06055	1.2
126.02733	2.7
127.04024	3.0
131.05022	3.4
133.02963	6.6
134.03749	8.2
137.02448	83.8
138.02707	2.6
139.03964	2.1
143.05014	2.1
145.02885	1.1
147.04495	1.7
149.02438	6.7
150.03233	1.6
151.04008	30.7
152.04315	1.9
155.03487	6.0
159.04475	4.2
161.02443	14.3
161.06052	2.0
162.02957	1.6
163.04013	9.2
164.04474	1.3
169.05052	2.6
173.06036	1.6
175.03998	28.9
176.04315	2.0
177.01921	13.0
183.04437	1.1
185.04543	12.3
187.03979	20.0
187.06046	3.5
188.04492	2.3
189.01906	1.6
189.05496	2.6
190.02844	1.3
193.05069	9.1
199.02434	4.9
199.04057	1.4
201.03954	2.4
201.05595	2.5
203.03535	2.0
203.05507	2.7
204.04213	1.2
205.05064	5.6
211.04001	3.6
212.04724	1.9
213.05551	4.1
214.02750	2.2
215.03513	6.2
217.05019	4.0
225.05525	3.0
227.03484	3.5
228.04202	2.0
229.05060	13.1
230.05571	2.0
231.02921	3.0
231.05040	29.1
231.07155	2.2
241.05045	2.5
243.02966	4.5
247.05954	1.4
249.06123	3.9
253.05032	3.0
255.02974	19.0
255.05595	1.9
256.03732	10.2
257.04440	6.5
269.04568	1.9
273.04050	20.9
274.04608	2.6
281.04562	8.2
283.02472	4.0
284.03229	1.7
285.04285	5.2
287.05661	2.5
288.02826	2.1
297.03998	4.3
297.07458	1.6
298.04977	1.6
299.05618	3.5
300.06165	1.3
312.06143	2.3
315.08777	5.9
327.08640	3.3
339.08716	15.9
340.09009	2.7
357.09537	1.7
381.09720	7.4
407.07693	100.0
407.99506	1.2
408.08090	15.2
413.75937	1.1
425.09015	16.6
426.09241	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85297	1.3
57.68068	1.2
65.03970	2.3
69.05343	1.3
69.37305	10.2
72.99310	22.3
73.02959	6.8
81.03457	14.2
83.01369	7.8
83.05025	7.2
93.03450	10.9
97.02953	19.2
108.02175	4.9
109.02956	38.3
111.03817	2.3
111.04525	26.9
125.02399	3.6
125.06052	2.3
127.03992	7.9
134.03745	23.4
137.02444	5.6
141.05528	8.1
155.03505	24.4
159.03046	2.0
169.05054	6.2
185.04530	41.5
187.06090	15.0
193.05052	19.4
199.02501	13.6
203.05598	12.3
231.05080	100.0
232.05406	6.7
241.04944	1.8
249.06177	4.9
280.83521	1.4
407.07715	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35466	0.3
64.32448	0.3
67.26079	0.3
74.05710	0.3
78.95903	7.4
79.10944	0.3
94.99010	0.3
104.97473	0.4
110.98528	5.6
121.70212	0.3
122.14245	0.3
133.58060	0.3
163.11272	1.6
167.01137	5.8
182.18475	0.3
185.02180	3.0
190.93297	0.4
255.23277	100.0
256.23618	9.8
257.09067	0.3
286.94733	0.3
339.23309	0.9
423.25110	8.6
424.25516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54977	0.4
67.62258	0.4
69.41673	1.3
69.42107	1.6
78.95902	13.9
104.97459	0.5
110.98527	8.7
110.99242	0.7
167.01154	11.4
185.02174	2.4
255.23280	100.0
256.23636	10.2
280.87906	0.4
393.21524	0.4
423.19388	0.7
423.25131	14.8
424.25266	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.0
59.01370	1.5
69.48859	4.5
71.01389	0.7
71.43106	0.7
78.27319	0.7
81.03465	2.9
83.01376	2.7
93.03483	1.0
95.05032	1.3
95.81574	0.6
97.02943	3.3
98.20621	1.6
105.57829	0.9
108.02170	3.3
109.02950	82.9
110.03278	3.1
111.04535	1.2
121.02966	1.6
122.03760	0.7
123.04510	9.1
125.02449	22.3
135.02975	0.9
135.04517	1.7
137.01465	1.2
137.02444	13.9
139.03992	2.2
145.02948	5.5
146.03773	0.9
149.02415	4.0
150.03209	1.2
151.04013	6.3
153.01933	100.0
154.02264	3.3
155.03535	1.4
159.04500	2.5
160.05275	1.1
161.02429	1.1
161.06071	3.9
163.04022	1.3
164.01184	2.1
165.01936	4.7
166.02676	0.8
175.07608	1.4
179.03522	3.4
181.41661	0.9
183.04552	0.9
185.06091	2.0
187.03989	4.2
188.04799	1.5
199.02223	0.8
202.06306	1.5
203.07129	9.1
204.07434	0.9
205.05057	4.8
221.08270	1.3
227.07199	1.3
230.05875	0.8
245.08186	10.6
246.08478	0.9
247.06023	1.0
253.05109	2.6
271.06097	8.5
275.05566	1.3
287.05585	1.4
289.07162	57.6
290.07489	4.8
390.67676	0.8
407.07800	1.6
425.08652	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49858	0.5
55.01876	5.6
57.03452	4.2
58.00597	1.9
58.90413	0.5
59.01379	37.5
61.98862	0.5
67.01890	0.6
69.03467	1.2
69.37955	2.7
69.38367	1.1
71.01379	58.9
72.01708	0.9
72.99307	2.4
73.02945	31.4
75.00865	1.5
75.50858	0.5
78.71103	0.6
81.03473	0.6
83.01387	13.5
85.02949	30.4
86.00091	2.1
86.03306	0.8
87.00873	2.4
89.02438	11.2
94.95909	0.5
95.01396	5.1
97.02943	3.2
99.00882	14.7
101.02439	59.4
102.02790	1.3
109.02938	0.9
111.00894	1.2
112.01642	0.9
113.02444	23.2
114.02775	0.8
124.78676	0.6
125.02447	2.4
127.11287	0.7
129.01959	1.6
129.12894	0.9
129.17215	0.5
131.03484	1.9
133.02995	0.8
134.03741	1.6
143.03496	1.7
149.04561	0.6
159.02972	4.5
161.04543	23.9
161.05890	1.2
162.04915	0.6
177.01987	0.8
178.02603	0.8
191.05605	0.6
199.13365	0.7
225.14938	0.9
251.04553	0.6
275.09335	0.8
289.07138	1.1
291.18121	76.5
292.18439	5.8
319.18918	0.6
387.14581	0.9
423.22333	100.0
424.22629	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51139	1.7
57.03438	2.1
59.01370	17.3
61.78806	1.4
61.98823	14.9
62.21350	1.5
71.01379	6.3
71.52216	3.2
73.02918	3.5
75.00842	1.8
80.56097	1.8
81.03038	2.5
81.03453	18.6
83.01369	7.0
83.05016	13.6
85.02928	2.5
87.00845	2.8
89.02442	4.1
93.03439	8.9
99.00903	2.9
99.92577	5.7
101.02410	3.3
103.54298	1.8
109.02948	16.4
110.63261	2.3
111.04515	68.8
112.04829	2.8
115.61314	1.7
116.92847	16.3
121.02943	11.0
125.02422	16.3
126.99588	2.1
127.04007	100.0
128.04327	3.1
128.99265	21.7
130.62891	1.7
133.02921	2.7
135.04501	4.3
137.01454	3.0
137.02441	46.1
138.02725	1.8
139.03940	2.3
141.45584	1.6
143.04880	2.4
147.04465	2.4
149.02440	37.0
150.02824	1.8
155.03490	79.6
156.03860	4.6
159.04448	3.0
161.02405	8.9
161.04530	2.2
163.00322	9.4
163.04012	3.8
164.01071	2.7
164.04788	15.1
165.01898	8.7
165.03926	2.9
174.03168	1.8
175.03969	4.6
175.07480	3.0
176.01071	3.3
177.01924	11.5
179.07097	2.4
185.05888	2.3
187.03955	4.5
187.07849	2.0
193.01425	3.2
197.06027	1.9
199.02396	19.5
199.03918	3.2
201.05478	2.4
203.03528	2.4
205.01324	4.2
206.24924	1.8
208.03703	6.2
211.04085	2.2
213.05528	3.4
214.02655	2.7
217.01582	2.7
217.03456	7.8
217.05223	3.1
217.08469	1.8
223.06099	30.5
227.03462	6.6
229.01265	2.0
229.05034	2.9
241.04927	4.1
255.02895	5.8
257.04489	6.0
257.07892	1.8
269.04514	4.5
275.09244	5.8
284.03122	2.1
285.01028	2.4
285.04047	29.3
286.04297	4.2
297.03937	4.2
300.02609	2.1
313.03400	4.3
319.05890	3.1
385.12720	2.1
423.07172	60.9
423.17477	4.2
424.07288	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	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70544	1.3
55.88712	1.7
56.15573	1.3
57.03444	2.0
59.01381	100.0
60.01688	1.7
61.98827	2.5
71.01378	12.6
71.05057	2.1
71.09431	2.8
72.99303	1.6
73.02960	1.7
78.95916	5.9
79.33869	1.2
81.03455	13.7
82.83447	1.4
83.01389	2.6
83.05025	9.5
85.02959	6.0
87.04513	48.4
89.02459	13.0
89.48667	1.5
93.03461	6.3
95.01383	2.2
96.96006	1.6
96.96951	14.9
99.00921	2.1
101.02452	8.7
108.02145	1.7
109.02957	8.0
111.04525	43.8
112.04872	2.4
113.02455	12.2
116.92885	2.2
119.03486	6.1
120.01225	3.2
121.02959	4.7
123.00904	2.7
123.08163	1.9
125.02452	4.3
127.04017	79.2
128.04375	1.8
137.02432	7.2
139.00366	1.4
139.07623	2.3
139.11253	8.1
143.03519	1.8
143.04620	1.8
147.04376	1.4
149.02426	21.7
150.03203	6.8
151.00349	3.2
155.03505	69.3
156.03882	3.6
161.04555	3.5
164.04837	7.9
164.06046	1.4
165.05531	7.6
168.00467	1.6
169.01430	8.0
179.05737	1.9
183.10260	1.4
195.06635	4.6
199.02483	31.7
199.13362	5.9
201.11324	72.3
202.11664	4.1
217.03503	5.6
223.06064	7.3
225.11292	10.3
243.12367	9.1
261.13525	1.9
268.55795	1.6
303.13626	1.7
306.07822	1.8
307.07980	2.6
313.03036	1.7
339.57379	1.7
363.16638	2.8
373.30823	1.8
423.09320	17.9
423.18546	5.7
423.26028	2.7
424.10229	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	423.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.7
57.41774	1.7
59.01367	7.4
60.59362	2.1
61.98834	14.3
69.03432	1.8
71.01391	3.5
72.99321	2.0
73.02958	1.9
75.00858	2.7
81.03448	4.5
83.01399	4.9
85.02944	2.7
95.05014	4.3
97.02956	9.9
101.02448	3.1
105.03416	2.6
109.02956	30.8
121.02946	5.3
122.03802	2.2
123.04517	20.0
125.02448	22.3
127.04020	4.2
133.02936	6.9
134.03729	7.0
135.04515	4.5
137.02446	19.9
139.04021	7.5
145.02983	1.8
149.02457	7.9
150.03230	2.4
151.04047	12.2
155.03445	2.1
159.04488	1.8
161.02414	2.0
161.06088	7.5
162.03183	5.2
163.04031	3.2
164.01108	3.1
165.01912	7.0
167.03442	2.2
167.22232	1.7
175.03954	3.4
175.07657	4.5
177.01933	7.3
178.02715	4.5
179.03528	11.6
179.07181	3.0
187.03967	6.3
188.04793	6.4
201.09177	2.2
202.06384	3.7
203.07147	20.8
205.05098	15.2
221.08224	5.8
227.07062	3.0
231.10283	4.3
233.08121	3.1
245.08124	25.0
246.08525	2.6
246.25766	1.8
247.06174	2.2
257.11844	1.9
275.09247	8.2
286.40994	1.8
289.07181	100.0
290.07437	9.5
299.12897	3.5
343.11856	15.0
377.01001	2.2
385.13040	7.9
387.14478	85.6
388.14786	14.3
423.07120	2.3
424.38272	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	423.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08583	1.3
55.01880	1.3
59.01374	6.2
61.40160	1.1
70.17178	3.4
70.17594	2.8
81.03452	16.0
83.05020	10.8
93.03453	4.9
109.02940	6.1
111.04520	62.3
112.04884	2.3
127.04016	100.0
127.73067	1.3
128.04335	3.2
137.02441	8.2
138.31636	1.3
149.02435	14.0
155.03502	84.4
156.03827	2.9
164.04724	4.7
199.02480	44.5
200.02751	2.3
202.13023	1.5
223.06090	6.7
241.51257	1.3
339.67340	1.2
403.81317	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	423.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85594	0.8
59.01371	3.8
61.22598	0.8
64.73722	0.9
67.57469	0.8
70.66515	1.9
81.03457	18.1
83.05010	9.9
87.63382	0.8
92.35832	0.8
93.03433	6.2
109.02946	7.0
111.04520	59.9
112.04844	1.7
115.94975	0.8
121.02945	1.9
127.04012	100.0
128.04346	3.8
132.72449	0.9
137.02467	7.3
149.02440	11.2
155.03499	93.6
156.03841	4.2
164.04779	6.5
185.23830	0.9
199.02478	38.0
200.02901	1.8
223.06113	6.1
353.26990	0.9
422.23639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
59.81936	1.1
59.85531	1.0
70.81029	1.5
70.81390	2.6
71.01372	1.5
72.99320	1.1
81.03458	15.3
83.05019	12.6
84.05348	1.0
84.62418	1.1
93.03459	4.7
95.92230	1.0
106.63238	1.2
109.02937	4.6
110.38091	1.0
111.04516	53.1
121.02934	5.3
127.04013	100.0
128.04379	5.0
129.05515	1.1
136.91969	1.2
137.02448	7.0
149.01266	2.1
149.02429	26.1
150.02988	1.1
155.03499	91.6
156.03780	2.7
164.04787	20.2
165.05064	1.2
171.02824	1.3
175.04076	1.2
197.88792	1.0
199.02473	56.9
200.02734	2.4
217.03529	28.3
218.03804	1.6
223.06119	15.0
306.84488	1.0
350.52216	1.4
423.25558	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	421.2264
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
60.00204	0.3
68.19559	0.3
69.77842	1.5
75.18750	0.3
79.95727	0.3
80.96516	100.0
81.96450	0.6
95.55031	0.3
99.09038	0.3
110.98520	0.4
113.47384	0.3
185.02184	1.0
186.80920	0.2
227.12967	0.3
253.21710	0.4
291.08603	0.3
296.12704	0.3
318.51251	0.3
325.29602	0.3
421.22629	24.5
422.23016	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46704	25.5
59.01385	50.9
61.98859	33.4
96.96039	42.1
121.02965	100.0
122.03257	31.4
160.28142	33.1
176.36861	30.6
213.24121	31.8
273.85654	28.0
285.26935	33.3
379.93442	32.9
421.27841	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	68.4
61.98836	48.9
71.05787	85.6
74.32307	45.7
96.95988	73.2
98.16064	41.4
132.46478	40.8
149.95894	43.1
155.48088	39.6
192.65028	53.3
201.28665	42.4
202.55809	40.1
233.15347	63.3
236.07822	42.0
393.21017	48.6
403.24854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
59.54770	1.3
67.53254	1.1
71.57948	1.6
76.55853	1.3
80.96519	3.2
81.25793	1.2
103.07537	1.2
141.92229	1.4
148.98062	1.4
177.92628	1.4
253.31403	1.4
359.33148	23.6
360.33359	5.7
377.33939	2.1
385.31192	4.1
403.32214	18.1
404.32382	2.2
421.33218	100.0
422.33585	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	421.1867
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
59.01375	10.4
61.98823	1.7
69.42072	5.1
71.01388	2.6
71.86263	0.7
81.03459	1.1
83.01355	0.8
85.02979	1.8
89.02423	0.9
89.74168	0.8
95.01369	1.0
97.02944	1.2
98.19888	1.2
101.02444	0.7
103.01154	0.7
108.02133	1.3
109.02936	6.1
109.03647	0.8
114.26485	0.7
119.05035	1.0
121.02907	0.8
123.00863	0.7
123.04487	1.3
124.01646	7.2
125.02451	12.7
126.02773	0.8
135.04567	0.9
136.01709	0.8
137.02440	36.2
138.03261	11.0
139.04019	15.2
140.01161	0.7
145.02916	0.9
147.04524	0.7
149.06030	0.9
150.03181	1.9
151.03987	9.3
152.01065	0.8
152.04773	7.1
153.05585	2.0
161.02460	1.2
161.04623	0.8
162.03210	2.5
163.04004	3.9
164.04787	3.4
165.01863	1.4
165.05542	2.8
166.02652	1.0
167.56799	0.8
170.02206	1.4
173.05843	0.7
175.04015	3.1
176.04771	4.4
177.05565	9.0
179.03488	2.7
179.07111	0.9
180.04269	9.2
181.05055	13.2
184.03799	2.0
185.11771	2.0
189.05530	1.8
190.06346	1.3
191.07082	1.8
193.05035	2.0
194.05847	8.6
195.06609	26.6
196.07158	2.0
205.08670	0.9
206.05783	1.9
207.06618	6.0
209.08154	5.4
210.08525	0.9
211.09726	1.1
220.07329	0.7
221.08160	1.7
229.08598	1.1
233.07985	0.7
236.06851	1.3
237.07692	1.4
238.08363	1.0
239.09196	0.9
241.08546	0.7
253.11012	0.8
310.24023	0.7
331.11774	0.9
343.12134	2.1
361.12909	12.3
362.13406	1.7
375.14420	2.2
385.13007	2.5
391.14014	14.8
391.21725	0.8
392.14236	1.8
406.16278	35.4
407.16507	3.9
421.18658	100.0
422.19055	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.5
59.01372	22.8
61.98835	65.0
70.81147	6.5
70.81477	9.1
71.01385	4.8
73.02930	7.1
85.02955	10.6
89.02465	6.1
97.06608	5.2
108.02186	10.7
109.06609	5.4
113.02424	5.8
123.08191	11.9
133.24757	5.3
152.01122	8.4
153.09198	10.5
167.10745	7.7
173.08223	18.8
184.89365	5.1
187.09708	28.5
192.52536	4.7
217.10878	28.6
229.10791	18.7
231.12387	19.8
247.11832	21.0
248.05243	4.8
301.07080	6.2
350.27542	5.2
368.27933	5.3
391.23685	8.9
403.23474	8.3
421.09860	16.9
421.16098	25.9
421.24850	100.0
422.24756	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	421.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.85950	0.9
57.03442	1.8
59.01380	15.0
61.98826	2.4
68.99794	1.2
71.01382	16.1
71.52116	1.3
71.52479	1.2
72.99302	1.5
73.02949	5.8
78.78160	1.0
83.01374	3.5
83.04990	0.9
85.02949	7.9
85.59965	1.0
87.00894	1.3
89.02445	2.0
93.03459	36.3
95.01398	9.4
96.99305	1.9
97.02954	1.1
97.04697	0.9
97.06565	1.1
99.00888	1.5
101.02451	11.2
107.01405	1.4
108.02177	17.6
109.02971	15.2
111.00883	2.2
113.02438	6.9
119.05067	1.6
120.20106	0.9
121.02927	2.6
123.00889	76.3
123.04516	4.8
124.01675	50.9
124.02431	0.7
124.02612	1.1
125.02447	1.8
135.04553	1.0
136.01648	4.1
137.02441	67.7
138.03255	24.4
139.04031	26.8
143.04651	1.8
147.04477	1.9
151.00349	2.0
151.04002	1.6
152.01135	4.3
153.01920	3.6
161.04527	2.1
163.04074	1.2
167.03494	11.9
177.03407	2.7
179.03543	2.0
191.03490	2.3
221.04486	1.0
239.05379	1.4
259.06149	4.0
270.86514	0.9
281.06668	65.2
282.06946	6.0
286.72705	0.9
296.05377	1.3
297.06100	1.2
311.07715	13.2
312.08002	1.2
323.14981	0.9
324.69086	1.0
385.12778	1.5
403.27066	2.4
421.11401	100.0
421.23419	2.5
421.28925	6.4
422.11658	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	421.1149
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	0.9
57.03435	1.3
59.01382	6.9
61.98835	3.1
67.01872	1.2
69.03474	0.9
70.66132	1.1
71.01382	7.6
72.99309	1.2
73.02942	2.9
79.01907	1.0
83.01376	1.9
85.02954	4.4
87.00871	0.5
87.04508	0.5
89.02422	0.7
93.03424	0.5
95.01397	2.7
96.01688	0.4
97.02938	1.1
99.00858	1.2
101.02444	5.6
101.06046	0.6
107.01389	5.1
108.98583	0.5
110.00107	0.5
111.00897	3.6
113.02457	2.9
121.02942	0.6
123.00882	20.5
124.01663	1.6
125.02450	20.9
126.02775	1.1
127.00332	1.6
135.04518	0.4
136.98811	2.3
137.02417	1.8
137.09708	0.7
138.03212	0.5
139.00363	7.4
140.01166	4.4
141.01907	2.0
149.09703	1.3
149.99556	1.4
150.03087	0.6
151.00368	14.0
152.00699	0.7
153.01952	0.9
159.02925	0.6
161.04610	0.5
165.01913	1.3
167.10747	0.9
168.00629	4.0
169.01425	24.2
170.01743	0.9
175.07564	0.5
178.10272	0.5
181.05080	0.6
185.11823	1.4
201.11436	0.6
217.08621	0.5
231.12396	3.9
232.12645	0.5
253.03467	0.5
313.05618	1.8
385.13034	2.6
403.27213	0.9
418.62436	0.5
421.11401	100.0
422.11731	13.7
422.17538	0.5
422.24203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01295	8.0
54.18866	6.5
59.01373	24.1
59.77900	7.6
61.98809	14.9
65.79125	7.5
70.61546	8.2
70.61887	19.5
71.43886	7.3
72.73475	6.6
75.00887	6.6
76.86859	7.0
96.96023	12.9
114.01959	26.1
120.81895	7.2
122.03799	9.9
127.28712	7.3
137.02461	46.2
150.03226	100.0
161.60733	7.2
162.95627	6.8
165.01884	35.4
245.53098	7.8
287.05624	36.2
288.06314	15.5
340.27246	7.0
442.73856	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	421.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.9
61.98817	5.2
71.01377	9.1
71.50579	1.8
74.02483	1.6
78.91891	1.5
83.01374	1.8
85.02942	6.5
89.02447	7.2
93.03481	3.5
95.01394	2.3
95.04984	1.9
101.02469	4.0
113.02439	2.6
119.03463	2.4
121.02962	13.2
122.03751	12.9
123.00896	11.0
123.04517	1.7
125.02469	2.2
127.07633	2.8
128.03510	5.2
136.01662	1.8
137.02438	2.9
138.03233	16.1
139.03917	2.7
143.04613	4.3
149.02438	86.3
150.03232	93.6
151.03798	5.4
153.05577	34.9
164.04793	20.6
165.05568	100.0
166.02733	1.7
166.05881	7.2
166.99789	2.1
179.91679	1.4
180.04259	6.1
181.04980	3.8
182.02171	5.4
195.06633	46.0
196.06865	2.7
197.04533	12.1
201.91902	1.7
217.10835	1.9
225.04051	11.9
241.10802	4.1
257.08032	1.6
258.01465	2.1
259.02362	3.8
259.11841	2.0
286.08463	13.3
301.03528	4.9
301.10806	46.9
302.11105	4.7
306.07672	11.3
331.04730	2.4
341.77179	1.5
403.23422	2.1
421.11499	13.0
421.17255	5.7
421.24448	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	420.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01083	0.6
59.01374	4.5
61.98830	100.0
70.81320	0.9
71.01393	1.7
71.14830	0.5
73.02951	1.0
83.01392	0.5
85.02945	0.9
87.04533	1.3
89.02462	0.6
97.06612	1.3
97.90941	0.5
98.37514	0.5
99.04535	0.6
108.02173	3.8
109.02966	3.2
109.06679	0.7
111.00887	0.7
113.02496	0.6
122.02477	0.6
123.08150	1.3
125.02452	0.6
130.72847	0.5
137.02441	1.1
150.03145	0.6
152.01154	1.3
153.01929	3.1
153.09230	1.5
160.03934	0.6
163.03961	0.5
165.02014	0.7
165.09065	0.6
167.10757	0.8
173.08276	0.7
187.09753	2.4
197.62215	0.5
215.13013	0.6
217.10852	4.1
231.12468	2.1
247.11949	1.0
261.71799	0.6
300.10986	0.6
385.12820	0.6
391.23492	1.8
403.23538	1.1
420.09335	3.3
420.14294	0.5
421.10022	0.6
421.24918	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	420.2755
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
72.06574	0.8
102.79893	0.9
119.74945	1.0
121.02955	100.0
122.03272	5.3
128.78743	0.8
138.59073	0.9
159.85988	1.4
194.25185	0.8
222.73004	0.9
248.44525	0.9
274.90076	0.8
392.09167	0.9
403.22498	0.9
419.98065	1.0
420.27542	54.1
421.27869	8.7
432.90326	0.9
434.69843	0.8
442.41574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32970	11.1
58.18484	11.8
59.00636	11.1
59.01384	19.0
59.97423	12.5
61.98842	15.7
69.43709	100.0
73.13313	11.2
78.75623	12.2
96.96009	13.7
333.39832	12.8
355.99341	11.6
419.23767	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75677	31.8
59.01365	37.3
61.98830	85.5
69.12481	30.2
69.94850	32.0
71.06120	60.3
71.06450	57.7
75.22488	30.4
75.53032	32.8
76.68641	32.9
90.24777	33.6
134.09798	46.9
160.07605	40.4
178.14230	40.2
192.67442	35.4
194.94193	36.3
255.37506	35.1
304.19098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01379	100.0
60.01712	1.1
61.98833	0.9
69.93842	0.4
71.01395	0.7
83.01451	0.5
85.03043	0.4
85.88583	0.4
89.02464	0.9
93.07144	0.4
97.47070	0.5
98.20599	0.9
101.02427	0.8
109.02988	0.6
113.02439	0.7
117.76487	0.5
123.04535	0.7
125.02438	0.7
125.31783	0.4
143.10780	6.6
144.11186	0.4
149.13361	1.1
153.01955	0.9
161.04539	0.9
161.13414	1.2
229.18134	1.7
299.25812	0.6
359.28040	8.8
359.32047	0.6
360.28598	1.7
419.13794	0.7
419.22446	0.7
438.11993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01380	100.0
60.01713	1.7
61.98832	0.9
65.36079	0.4
68.99382	0.6
69.40790	1.1
69.41194	2.9
71.01379	2.4
73.02927	0.7
76.57682	0.4
82.30989	0.5
85.02973	0.7
86.45852	0.5
87.04471	0.5
89.02454	1.3
93.07097	0.6
101.02462	0.8
109.02950	0.9
113.02483	1.1
123.04556	0.9
125.02456	0.7
143.03584	0.6
143.10770	6.7
149.16476	0.5
151.04041	0.8
153.01971	1.2
153.05583	0.8
161.04684	0.7
161.13426	1.9
165.01938	0.5
172.61264	0.5
229.18184	2.3
257.08212	1.0
330.32440	0.5
359.28021	7.6
360.28491	0.7
419.22437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13513	0.6
57.03444	1.4
59.01381	5.5
61.98828	100.0
64.85174	0.7
66.04302	0.5
69.62061	1.1
69.62461	3.5
70.76662	0.5
71.01369	1.6
73.02947	1.0
83.01408	0.7
87.00854	0.6
89.02515	0.9
91.64847	0.6
95.01434	0.6
98.20625	1.2
109.02953	5.6
110.03275	1.0
121.02966	1.2
122.02511	1.4
123.04527	19.3
124.01680	1.2
124.04909	1.6
125.02456	3.1
135.04538	0.8
137.02428	8.9
138.03242	2.9
139.04018	3.1
145.02962	1.9
149.02470	1.3
150.03114	1.4
151.04047	2.1
152.04799	1.0
153.05565	18.2
154.05908	1.1
163.03992	1.2
164.04788	0.7
165.02008	1.0
165.05626	1.1
167.03439	1.1
176.04794	0.7
177.05594	1.9
180.04228	1.5
181.05070	3.6
187.09787	1.2
187.78380	0.6
194.05817	1.4
195.06660	5.6
207.06607	1.0
217.10837	1.0
231.12631	0.7
241.09906	1.7
256.06970	2.3
259.06003	0.9
259.15485	0.7
267.07291	2.1
273.07843	0.8
274.08124	2.2
281.09259	1.3
282.09537	5.4
300.10724	0.8
361.13065	2.5
385.13046	1.2
388.08594	0.8
391.13950	3.1
402.12680	1.5
406.16324	7.0
420.11569	2.4
420.23404	0.9
421.18814	22.7
421.24506	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	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09524	29.7
57.09808	28.2
59.01363	58.1
61.89784	29.6
61.98838	47.7
62.40016	29.7
77.67595	34.4
82.12132	34.3
98.19894	100.0
98.64096	33.9
102.44392	34.0
120.01027	42.9
155.42719	34.0
211.54866	34.4
256.73331	37.8
353.09149	42.3
381.66724	33.9
426.19153	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97335	3.0
59.01379	100.0
71.62502	3.2
92.98036	3.6
98.20679	7.5
107.25204	3.2
117.84422	3.1
119.85583	3.0
144.85822	3.3
155.07899	3.0
289.05377	9.7
335.62595	3.1
390.96970	3.3
407.78113	3.5
417.20953	23.0
418.21280	4.6
437.70505	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	419.0983
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
57.03445	7.0
58.00573	2.0
59.01377	19.2
59.08982	1.0
61.98822	7.3
63.02397	11.9
65.00323	12.9
65.80836	1.1
68.99847	1.0
69.34107	8.4
71.01376	7.8
71.04991	1.1
73.02943	4.6
81.03445	1.7
81.52528	1.0
83.01378	11.2
83.05023	1.5
85.02952	2.7
85.06578	1.6
87.00870	1.6
87.04502	1.5
89.02432	4.3
93.03464	3.4
95.01409	1.9
97.02953	1.7
97.06562	2.0
98.70329	1.0
99.00878	1.3
99.04508	1.2
101.02438	3.3
103.00384	3.3
106.06622	7.0
107.01385	23.4
107.04999	2.0
108.02197	2.6
109.02955	5.9
111.00874	4.2
111.08106	1.7
113.02422	2.1
117.03439	4.9
119.05044	1.5
121.02927	2.9
123.00864	4.1
123.04496	6.5
123.08130	4.8
124.01673	16.9
125.02448	18.9
127.11259	1.2
133.02919	2.0
134.03705	5.6
135.04535	7.3
137.02440	8.5
139.00365	4.6
141.01924	2.7
141.09064	1.2
145.02902	1.6
147.04488	2.3
149.02437	1.9
149.05989	1.4
149.09692	2.3
150.03140	1.7
150.05605	8.6
151.00365	90.4
151.03946	5.5
152.01151	99.5
153.01640	5.5
153.09154	1.6
161.02406	1.9
162.03230	1.6
163.04012	4.2
163.07607	1.3
164.01176	1.8
165.01881	3.0
166.02802	1.1
167.10716	2.1
169.01382	6.5
169.12279	2.5
174.03177	2.7
175.02525	1.6
175.03946	9.5
175.07646	1.7
176.04747	2.2
177.05571	3.1
178.99855	100.0
179.03333	3.2
180.00264	6.2
180.04300	3.2
181.05080	1.2
183.04413	1.6
183.10320	1.8
184.00090	1.3
187.09721	1.3
188.04659	2.5
189.05554	4.3
190.06320	8.3
191.07082	5.5
192.04233	1.3
193.05046	4.1
194.05869	2.3
197.06012	1.4
199.03954	1.3
201.05656	2.3
203.07280	2.5
203.09210	8.4
204.06593	2.1
205.04985	1.5
205.08716	6.8
207.06709	2.2
208.07397	3.9
213.05521	1.4
215.12799	4.1
217.10793	1.6
221.08095	1.8
225.05527	2.3
228.05519	1.5
229.10692	1.3
231.12347	7.9
238.07664	1.4
239.10654	1.1
241.05222	1.8
243.06538	1.1
243.12325	3.5
253.09721	1.3
255.11273	1.9
256.03796	4.1
257.04437	1.5
257.11789	19.9
257.13879	1.2
258.12064	2.1
259.06027	9.7
259.15472	1.8
260.06479	1.8
265.68643	1.3
266.06863	3.9
269.04532	68.5
270.04840	5.8
281.09363	8.6
282.09613	1.8
286.04819	12.8
287.05640	8.9
288.06067	1.4
293.06763	1.4
295.15448	1.1
299.10165	1.9
313.07050	1.4
327.08545	1.3
329.15005	11.1
330.15280	1.2
331.17642	12.2
356.09720	3.4
357.22687	1.7
358.10535	3.1
359.11295	6.2
359.20993	1.8
373.13000	5.5
375.14713	1.8
387.08319	1.7
389.16217	24.4
390.16336	4.2
401.12500	11.9
401.21353	6.8
401.36185	1.2
404.14749	6.0
419.09784	95.5
419.16849	5.6
419.22403	31.3
420.10080	11.5
420.22974	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	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25021	0.4
55.01880	5.6
57.03445	4.6
58.00581	3.4
59.01379	75.1
60.01717	0.9
61.98840	0.6
69.03439	0.9
71.01381	100.0
72.01707	0.9
72.72624	0.5
72.99321	4.5
73.02944	20.4
75.00875	1.7
77.91177	0.5
81.03460	0.8
83.01391	11.3
84.02128	0.6
85.02949	32.8
87.00876	5.0
87.04514	2.7
89.02444	53.3
90.02739	0.8
95.01386	7.5
95.99507	0.5
97.02971	1.8
98.20683	1.2
99.00883	8.9
101.02442	70.0
102.02779	1.5
102.17744	0.5
104.66148	0.5
111.00877	1.0
112.01700	0.6
113.02452	40.3
114.02781	1.0
115.03998	0.7
119.03497	25.1
123.00922	1.0
125.02438	2.8
129.01933	1.1
131.03499	2.8
137.02480	1.0
143.03499	7.3
149.04549	1.8
151.00395	0.6
159.02992	7.6
161.04555	41.0
162.04834	1.3
179.05623	8.4
179.07022	0.6
205.03494	0.9
255.19606	3.0
417.15744	1.3
417.24945	27.5
418.25232	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44354	0.4
55.01872	6.0
57.03448	5.1
58.00591	3.0
59.01378	70.1
60.01702	0.6
60.28970	0.4
61.98827	0.8
68.99786	0.8
69.03453	1.3
69.48090	3.3
71.01381	100.0
72.01715	2.1
72.99313	6.0
73.02947	24.0
74.03301	0.5
75.00869	2.1
81.03465	0.6
81.13660	0.4
83.01386	13.2
84.02167	0.8
85.02950	37.9
86.03281	0.6
87.00877	4.1
87.04515	2.8
89.02443	52.6
90.02771	1.2
95.01380	7.2
97.02961	2.3
99.00880	10.4
101.02441	81.1
102.02787	1.8
109.02924	0.8
111.00900	1.2
113.02448	40.8
114.02792	1.3
119.03500	22.4
121.02946	2.4
123.04519	0.8
125.02444	3.3
129.01936	1.1
131.03482	2.9
137.02466	1.3
139.00372	0.6
143.03491	7.4
149.04553	2.0
151.00398	1.0
151.03941	0.5
159.02994	7.8
161.04552	36.2
162.04926	1.2
165.01961	0.6
179.05617	7.8
205.03568	1.3
213.06584	0.8
227.08243	1.5
239.04568	1.3
239.08272	0.8
253.05656	0.4
255.07637	1.1
255.19670	3.6
267.07788	0.7
281.09259	0.6
325.76532	0.5
341.11215	1.0
373.13928	1.8
385.22128	1.1
417.12888	6.5
417.24927	18.0
418.13800	0.6
418.25272	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66771	25.8
59.01383	100.0
61.98852	28.5
109.70293	27.8
116.97348	25.2
149.60416	33.3
173.88857	24.8
234.12283	26.3
237.44963	33.3
266.05124	25.4
306.26767	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44354	0.4
55.01872	6.0
57.03448	5.1
58.00591	3.0
59.01378	70.1
60.01702	0.6
60.28970	0.4
61.98827	0.8
68.99786	0.8
69.03453	1.3
69.48090	3.3
71.01381	100.0
72.01715	2.1
72.99313	6.0
73.02947	24.0
74.03301	0.5
75.00869	2.1
81.03465	0.6
81.13660	0.4
83.01386	13.2
84.02167	0.8
85.02950	37.9
86.03281	0.6
87.00877	4.1
87.04515	2.8
89.02443	52.6
90.02771	1.2
95.01380	7.2
97.02961	2.3
99.00880	10.4
101.02441	81.1
102.02787	1.8
109.02924	0.8
111.00900	1.2
113.02448	40.8
114.02792	1.3
119.03500	22.4
121.02946	2.4
123.04519	0.8
125.02444	3.3
129.01936	1.1
131.03482	2.9
137.02466	1.3
139.00372	0.6
143.03491	7.4
149.04553	2.0
151.00398	1.0
151.03941	0.5
159.02994	7.8
161.04552	36.2
162.04926	1.2
165.01961	0.6
179.05617	7.8
205.03568	1.3
213.06584	0.8
227.08243	1.5
239.04568	1.3
239.08272	0.8
253.05656	0.4
255.07637	1.1
255.19670	3.6
267.07788	0.7
281.09259	0.6
325.76532	0.5
341.11215	1.0
373.13928	1.8
385.22128	1.1
417.12888	6.5
417.24927	18.0
418.13800	0.6
418.25272	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03443	2.6
59.01379	100.0
60.01719	1.1
61.98835	6.4
71.01382	38.0
71.51957	0.8
72.01738	0.8
72.99326	1.8
73.02950	10.0
75.00893	1.3
83.01414	4.0
85.02946	16.2
87.00887	1.2
89.02438	10.9
93.03455	0.9
95.01408	3.2
97.02969	1.8
99.00867	5.1
101.02447	25.3
101.03104	1.5
109.02988	1.7
111.00855	0.8
111.08174	2.2
113.02448	16.4
113.03146	1.1
114.48283	0.7
119.03486	3.7
122.91328	0.8
123.04538	2.4
125.02445	5.9
126.02766	0.9
137.02420	5.1
139.00420	1.0
139.07646	22.4
140.08047	0.7
143.03552	2.6
150.03261	1.2
151.04002	1.0
152.01151	1.2
159.02963	4.7
161.04549	45.5
162.04921	1.6
164.01157	1.6
165.01888	2.3
167.03514	0.8
171.32921	0.8
171.92700	0.8
175.03969	1.5
179.05627	1.1
179.07130	0.9
180.12961	0.8
191.03351	1.2
195.02937	0.8
195.10234	3.8
203.07112	0.9
205.03555	0.8
205.06248	2.0
253.05251	2.1
289.07166	1.7
290.07526	1.9
319.53027	0.9
325.11951	0.9
357.15497	17.1
358.10760	0.8
358.16031	2.1
385.14026	3.7
389.57941	0.8
417.17236	2.9
417.21661	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
57.03439	2.2
57.92775	0.7
59.01377	100.0
60.01723	1.1
61.98826	1.6
69.33009	6.9
71.01382	5.8
73.02953	2.4
82.52245	0.9
83.01408	1.0
85.02947	4.3
89.02441	3.3
97.02934	1.7
99.00899	1.1
101.02441	4.7
109.02940	2.8
113.02457	2.3
123.00902	0.8
123.04514	2.4
125.02434	3.2
137.02448	4.6
139.03999	0.8
151.04037	0.9
151.11255	1.4
159.03008	1.0
161.04575	4.6
165.01892	1.6
166.02652	0.8
168.25049	0.8
175.03966	0.9
179.03525	0.9
195.40236	0.8
203.07018	1.3
204.16129	0.8
211.94850	0.9
217.10663	1.1
223.02148	0.9
245.08064	1.1
250.87302	0.8
272.12988	1.1
278.22467	0.8
289.06979	1.2
332.14822	1.9
357.15189	1.4
373.12756	2.3
399.19873	1.1
417.16589	1.3
417.21106	7.2
418.21066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01387	5.1
61.98822	2.2
62.24443	0.7
69.03438	3.4
71.01378	1.8
71.52075	1.1
83.01389	12.8
89.02442	1.5
93.03471	3.8
95.32251	0.8
97.02939	1.3
107.05031	0.8
108.02164	0.9
109.02959	9.9
113.02452	0.9
119.05032	3.6
121.02052	0.9
121.02953	19.3
122.03712	2.7
123.00931	1.5
123.04527	1.1
124.01668	1.5
125.02446	13.7
128.84941	0.8
135.04509	1.8
136.01733	1.2
137.02443	100.0
138.02878	3.2
149.02422	7.4
150.03229	30.6
151.00327	1.6
151.03925	2.7
154.02774	1.3
155.39975	0.8
159.04541	1.8
161.02414	2.1
163.03979	2.3
164.01161	2.8
165.01930	27.6
166.02573	3.4
167.03445	1.3
172.05331	1.0
173.06076	3.8
175.04048	3.7
177.01930	3.2
177.05569	1.3
179.03467	1.7
183.04520	2.1
197.06093	1.2
199.04012	1.0
200.04884	0.9
201.05560	8.4
203.03563	1.8
203.07133	1.0
209.04568	2.0
215.07184	2.0
217.05032	1.3
219.06636	2.3
225.05504	1.7
226.06287	2.9
227.03514	1.2
241.05022	1.8
243.06573	3.2
244.07417	0.8
245.04539	2.8
259.06097	8.2
260.06525	1.3
269.04568	2.1
270.05228	1.4
285.07736	1.4
287.05612	48.1
288.06146	10.5
289.07013	1.1
329.06635	1.4
367.11789	1.0
385.12912	14.1
386.13171	2.4
417.08167	9.4
417.15891	1.2
418.08521	1.2
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
55.01871	1.3
56.81565	1.0
57.03446	2.5
58.00578	4.1
59.01378	100.0
60.01681	1.1
69.03432	1.1
70.02962	1.6
71.01382	51.0
71.50749	1.9
72.01722	1.4
72.99295	4.8
73.02943	2.3
75.00865	3.5
81.03476	1.0
83.01397	3.0
85.02953	11.2
87.00872	3.3
89.02444	75.7
90.02770	1.3
95.01379	3.0
99.00872	4.0
101.02442	33.5
113.02449	25.1
114.01961	4.1
119.03497	31.0
123.04557	1.4
125.02443	2.4
131.03493	3.6
135.02969	2.3
136.32658	1.1
137.02437	3.5
138.66739	1.1
143.03485	4.8
149.04556	8.8
161.04535	3.5
167.03462	1.3
179.05611	6.9
191.05574	1.5
194.09477	3.8
221.29956	1.1
222.08972	3.5
237.11305	10.8
238.11673	1.5
284.02145	1.1
417.18234	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	417.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03177	0.4
57.03437	2.0
58.00610	0.3
59.01377	9.2
65.03973	0.4
67.01897	0.4
68.99810	0.5
69.03453	3.5
71.01381	8.4
72.99312	0.7
73.02928	1.3
76.01315	0.2
81.03453	0.4
83.01383	14.9
85.02961	2.3
85.06582	0.4
87.00854	0.5
89.02438	7.2
93.03455	4.5
95.01395	1.1
97.02934	0.5
99.00860	0.4
99.04510	0.3
101.02445	5.4
107.05038	0.6
108.02164	0.4
109.02949	8.8
113.02444	3.5
119.03505	3.3
121.02924	1.8
122.03728	2.3
123.00877	0.5
123.04485	0.3
124.01649	0.7
125.02445	8.7
125.16918	0.3
126.02773	0.4
135.04527	0.4
137.02437	100.0
138.02742	4.2
143.03491	0.7
148.01663	0.3
149.02441	3.2
149.04391	0.3
150.03198	2.1
151.00336	0.4
151.04022	1.2
153.01953	0.3
154.02724	0.3
159.03038	0.5
159.04460	0.5
161.02444	1.3
161.04530	1.9
162.04977	0.3
164.01166	1.4
165.01918	15.8
166.02606	1.8
167.03488	0.6
168.33676	0.2
173.05991	0.4
175.04021	0.6
177.01991	0.3
179.03529	1.4
179.05553	0.7
201.05548	1.1
219.06587	0.6
220.07359	0.5
229.08650	0.5
244.03697	0.4
244.07281	0.4
245.08229	0.4
255.19722	0.8
269.04422	0.4
270.05112	0.3
287.05594	2.6
288.06366	7.9
289.06964	1.9
355.75867	0.2
356.30005	0.2
367.11829	0.6
379.07114	0.3
385.12918	14.7
386.13193	2.3
406.23447	0.3
417.15640	8.2
417.24600	2.7
418.15906	1.1
418.25201	0.4
427.65231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89216	1.3
57.03434	8.2
58.74002	1.7
59.01373	3.1
67.01878	1.7
69.03461	2.9
69.81382	6.3
81.03453	2.7
83.01390	14.7
83.05106	1.6
93.03481	3.3
94.90086	1.5
95.05031	4.2
97.02949	5.1
109.02936	12.9
120.02158	1.5
121.02938	3.0
122.03736	4.8
125.02450	66.1
135.04544	3.8
137.02441	100.0
137.06061	1.8
138.02751	3.1
138.67130	1.7
139.04001	3.6
141.39821	1.7
146.03728	10.0
149.02461	3.6
149.05998	2.1
150.03215	15.5
151.04013	5.8
159.04489	4.2
160.05324	1.9
161.02414	3.8
161.06134	2.4
164.01149	19.7
165.01907	37.3
167.03497	11.0
172.05325	3.8
173.06078	6.2
174.03194	6.8
174.06848	2.8
175.03986	6.6
175.07648	26.0
176.04790	15.6
176.07970	1.6
177.01955	4.8
177.09309	2.2
179.03490	28.3
181.05064	1.8
185.06067	2.9
187.03970	2.0
187.07692	8.1
188.04796	3.8
189.05510	2.6
189.09207	2.9
200.04797	6.5
201.05476	4.9
201.09195	4.9
202.06331	4.0
203.07135	17.7
204.04207	4.4
204.07770	2.1
205.08684	10.4
206.09062	2.0
212.82999	1.8
213.09450	1.6
215.07124	4.4
217.08687	9.0
218.05983	2.1
219.10262	3.6
226.06216	1.5
227.07211	2.4
229.08685	13.6
241.08710	3.5
247.09763	16.5
255.10191	3.1
259.09744	4.2
268.07385	2.1
269.08035	2.0
279.12280	5.0
281.11676	2.0
283.09793	3.5
294.08969	3.0
295.09747	1.5
297.11234	3.6
299.12698	5.0
323.12881	13.2
341.13904	4.8
367.11829	31.4
368.12271	3.2
385.12952	26.1
386.13129	3.8
399.14542	18.1
400.14667	1.9
417.15610	36.7
418.15918	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	415.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60749	0.6
67.51067	0.6
72.99305	13.8
73.02946	8.0
75.00870	85.1
76.01229	1.0
145.43594	0.7
146.76106	0.5
219.31970	0.6
228.99039	0.6
295.30185	1.3
323.33054	1.1
353.33835	0.6
354.79153	0.7
415.34250	100.0
416.29419	1.2
416.34610	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96463	1.5
57.01681	1.4
57.03423	4.3
58.00581	1.8
59.01376	47.2
61.98823	3.3
63.53678	1.5
65.00314	2.3
67.01859	2.2
68.99795	2.5
69.39124	12.6
71.01007	2.4
71.01382	39.5
72.99290	12.1
73.02950	2.8
74.02452	2.1
74.85273	1.5
75.00872	25.6
83.01395	3.8
85.02944	29.8
86.03250	2.1
87.00877	9.9
87.05618	3.8
89.01936	1.9
89.02445	19.0
91.01894	17.1
93.03429	5.3
95.01400	12.0
98.19866	1.7
99.00881	16.8
101.02468	9.0
103.00362	2.4
106.99165	2.0
108.02155	4.9
109.02911	8.4
111.00842	4.4
113.02449	33.4
115.00338	1.9
117.01942	3.8
117.22678	1.5
119.03452	7.5
121.02929	5.0
123.00895	2.7
123.04519	65.1
124.01626	2.2
124.04814	3.2
125.02406	4.7
128.03520	2.4
129.01880	2.9
129.06682	4.3
137.02431	4.9
139.00346	1.6
146.04488	1.6
151.00317	5.3
152.01109	6.4
153.01952	9.8
157.01422	2.0
161.04593	2.9
165.01860	2.9
166.06277	6.3
167.03488	100.0
168.03795	5.3
169.01443	2.0
169.09743	2.0
175.02400	3.6
179.03543	1.9
179.05559	2.2
181.08618	5.2
182.76645	1.5
186.08817	1.8
187.10867	2.0
188.36345	1.9
200.08340	1.9
208.03815	1.5
223.05934	2.0
226.04781	4.6
227.05569	10.3
231.05058	6.0
237.11247	2.1
241.07205	11.8
249.06140	64.3
250.06564	4.0
267.07153	21.7
271.04608	3.3
339.05698	1.7
355.10471	1.5
357.08005	4.7
357.17618	2.6
385.07886	3.4
387.18738	4.2
399.09244	10.0
400.09348	2.5
415.84039	1.8
417.10242	86.3
417.19574	7.9
418.10593	7.0
418.19891	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	417.1403
Annotation	Itoside I
Peak:m/z	Relative Intensity
55.01859	2.2
58.00584	5.1
59.01380	100.0
61.98828	5.2
69.03454	8.6
71.01382	79.1
71.49718	2.9
72.01715	3.6
72.99293	4.8
73.02942	29.7
75.00880	4.8
78.51417	1.9
81.03452	5.1
83.01382	9.5
83.03997	1.8
85.02959	32.9
85.67879	2.3
87.00864	4.8
89.02452	38.6
90.90582	1.9
95.01392	2.7
97.02970	11.3
99.00893	6.6
101.01788	3.8
101.02448	57.3
103.04009	38.5
104.04391	2.0
107.01377	2.3
108.02189	14.4
109.02964	23.7
113.02456	7.0
115.04050	3.7
116.45794	1.9
116.90877	1.7
116.92843	3.8
119.03491	18.3
123.00890	6.0
123.04537	5.2
125.02455	44.2
126.02798	2.9
127.04027	4.5
137.02454	4.5
143.03487	5.7
145.05057	8.4
161.04538	3.3
163.06133	25.3
167.03534	2.4
173.17084	1.8
247.08177	13.2
307.10376	12.8
351.39413	2.1
361.99615	2.2
378.75812	2.1
417.14093	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	417.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03442	10.7
59.01381	60.2
60.01711	2.1
61.98831	10.0
65.03955	1.8
67.01894	1.5
68.99824	1.7
69.03458	4.4
71.01380	23.6
71.02526	1.1
71.05018	1.2
71.50983	1.5
72.01704	1.2
72.99327	1.5
73.02948	8.3
75.00883	1.3
78.95891	1.3
81.03477	6.3
83.01389	19.9
83.05051	2.0
85.02957	8.9
87.00880	2.3
89.02456	8.4
91.02843	1.4
93.03445	5.8
95.01417	2.8
95.05030	4.4
96.95982	1.8
97.02957	5.6
99.00877	11.7
99.04520	2.9
100.01215	1.7
101.01324	1.8
101.02455	12.0
101.85772	1.0
107.05044	1.8
108.02165	3.1
109.02949	14.3
111.00891	3.3
111.04571	1.1
113.02454	8.9
119.03496	1.9
121.02953	7.8
122.03742	5.2
123.00878	2.6
123.04531	84.2
124.01662	2.0
124.04860	3.6
125.02450	76.9
126.02791	2.5
127.04044	1.2
128.03517	1.4
131.03493	1.4
135.04530	4.5
137.02446	100.0
138.02806	4.3
139.00371	6.2
139.04015	2.7
139.07648	4.6
140.94777	1.1
141.01959	1.1
143.03474	1.8
145.06673	1.5
146.03752	13.5
147.04521	6.3
147.08202	1.3
148.05249	1.2
149.02441	7.6
149.04556	1.9
149.06100	2.4
150.03232	24.1
151.03998	7.3
154.02774	1.1
155.03470	1.3
157.06561	1.5
158.03732	1.4
159.03146	1.6
159.04482	6.2
160.05186	1.6
161.02452	7.2
161.04553	16.8
161.05952	2.5
161.82584	1.2
162.03217	3.8
162.04825	1.4
162.06943	1.3
163.00383	2.4
163.03918	2.7
163.07600	2.3
164.01169	17.2
165.01932	66.9
165.05640	1.6
165.09142	1.8
166.02325	3.6
167.03477	15.4
172.05331	2.9
173.06056	12.0
174.03218	13.3
174.06795	3.4
175.04018	15.8
175.07640	23.7
176.04684	3.4
176.07962	2.9
177.01898	10.2
177.09227	1.3
179.03552	12.7
185.06056	1.3
186.06841	1.5
187.03964	3.1
187.07620	7.5
187.09724	1.1
188.04726	2.4
189.01888	3.1
189.05525	1.7
189.09174	2.0
190.02753	2.8
191.03477	8.3
191.05368	1.6
191.07135	1.5
193.06148	1.3
195.03003	2.6
197.04507	1.8
199.04019	1.5
199.07617	2.1
200.04788	4.4
201.05518	6.2
201.09232	4.6
202.06442	2.3
203.03485	1.6
203.07161	19.7
204.04289	3.0
204.07613	2.3
205.08693	3.9
208.05545	1.3
211.04001	1.9
211.07735	2.1
212.04922	1.4
213.05304	1.2
213.09047	1.4
215.07120	12.9
216.07784	2.0
217.08713	6.4
218.05783	1.3
225.05524	2.4
227.07179	1.7
229.08701	14.1
231.06444	1.5
233.08247	7.8
239.07155	1.8
239.10805	2.5
241.04993	1.5
241.08664	1.7
244.07417	1.1
247.09729	16.2
249.07721	1.4
254.05829	1.3
255.06593	1.4
255.10303	3.2
257.11703	2.1
259.09753	4.1
268.07529	2.9
269.09360	2.9
271.06339	1.4
273.11206	1.2
279.12271	3.1
281.11765	4.3
283.09674	2.7
285.09775	8.0
289.07150	4.0
294.08862	1.3
297.11349	5.2
299.12888	4.1
323.12811	15.4
324.13150	2.5
325.10788	1.2
327.18048	1.2
329.11389	1.9
341.10358	2.7
341.13956	2.7
355.21359	1.2
357.11523	1.7
357.15417	8.3
367.11807	36.9
368.12134	5.2
385.08023	2.0
385.12921	33.2
386.13306	7.2
417.09381	2.2
417.14969	22.3
417.21304	9.4
418.15768	2.7
418.21753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16972	0.4
52.56429	0.4
55.01881	0.6
57.26144	0.5
59.01388	2.5
61.98830	100.0
71.01386	1.5
71.51511	0.6
87.00877	0.6
89.02463	1.4
101.02511	0.9
101.30628	0.5
113.02422	1.0
121.02953	4.1
137.02428	1.1
161.04553	0.6
164.01170	1.6
165.01918	0.9
177.12839	0.6
183.11899	0.4
211.42239	0.5
213.54909	0.5
231.13852	0.8
247.13519	0.8
290.46066	0.5
291.12500	0.9
357.05887	2.5
395.12814	0.6
415.23236	1.1
420.67554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.59254	1.9
58.00573	3.4
59.01377	81.2
69.40468	9.0
69.40888	5.0
71.01376	53.5
72.99316	2.3
73.02940	21.4
85.02930	12.4
89.02441	69.5
95.01380	4.9
96.19592	1.8
99.00878	100.0
100.01182	3.6
101.02433	21.6
113.02441	37.6
119.03490	9.4
119.94514	1.8
129.11383	1.9
131.03491	14.4
143.03487	3.8
149.04549	59.3
150.04871	3.0
161.04549	21.2
166.40858	1.6
179.05533	5.4
191.03986	3.6
191.05595	53.8
231.98633	2.0
233.06714	8.6
293.08731	2.7
415.16122	24.2
416.16666	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	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
74.99094	6.0
75.00857	0.7
77.00664	73.1
78.00996	0.9
89.02430	0.8
101.02412	0.8
110.95847	0.5
115.28136	0.4
117.29704	0.4
147.07092	0.5
147.08104	2.5
149.09740	1.2
158.02551	0.6
161.09752	1.0
163.11256	2.2
187.11348	2.4
193.87761	0.4
196.72191	0.4
264.51172	0.5
265.12381	0.6
280.14633	1.0
307.17117	0.9
309.22119	1.7
321.18781	0.5
337.21719	100.0
338.22034	13.2
415.23068	11.7
416.23404	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37518	0.4
55.01881	0.7
57.03446	1.1
59.01377	100.0
60.01718	1.2
61.98817	0.5
71.01383	8.9
73.02945	3.3
74.56903	0.4
75.13904	0.4
83.01413	1.2
83.09046	0.5
85.02946	4.5
87.00901	0.4
89.02457	1.5
95.01395	0.6
98.20683	0.7
99.00887	1.3
101.02433	6.2
112.23155	0.4
113.02445	4.7
119.03516	1.1
125.02468	0.9
159.03041	0.5
161.04527	3.9
209.15498	2.0
353.19644	2.6
354.19940	0.4
371.20712	8.1
372.21103	1.0
406.02292	0.4
413.21857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40009	2.3
59.01380	100.0
69.50994	2.2
69.83553	6.6
69.83955	4.7
98.19932	2.9
112.38489	2.4
188.67480	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	414.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49086	0.3
57.03451	0.4
59.01385	0.8
61.98820	1.3
69.27071	1.4
69.27496	1.9
70.80885	0.3
71.01376	7.3
79.53960	0.4
83.05033	0.4
85.02959	1.1
88.04037	1.2
91.01905	1.3
93.03457	9.3
94.03843	0.6
98.20612	0.7
98.93249	0.3
106.65395	0.4
108.02193	0.4
111.04521	0.8
113.02422	0.4
114.01996	0.5
115.00378	9.2
118.02991	10.3
119.03404	0.5
120.04559	0.4
121.02953	0.7
127.04002	0.7
132.03026	0.8
136.04041	100.0
137.02451	4.8
137.04381	4.1
146.06169	2.0
152.01057	0.6
155.03416	0.5
164.07159	6.2
181.90294	0.3
190.05037	0.6
208.06151	10.0
209.06575	0.6
211.10199	0.3
213.14122	0.4
234.04027	2.3
234.84863	0.4
252.05116	12.7
253.05458	0.7
264.33224	0.4
298.09631	0.4
320.86163	0.4
377.26376	0.4
380.28751	0.5
396.09567	0.5
409.96115	0.4
414.10413	25.5
415.11053	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39906	7.6
59.01376	100.0
70.05051	33.3
93.97498	7.9
97.06556	17.1
123.35941	10.0
130.37315	9.0
132.44919	8.1
171.01788	8.9
179.56741	9.8
251.23689	26.1
295.22644	9.3
411.31311	60.0
411.36230	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
69.03437	1.7
71.01392	6.2
71.05024	1.9
71.33756	1.1
71.47633	0.8
72.99289	0.9
73.02940	2.1
75.01256	0.8
81.03470	2.2
83.01366	1.1
85.02956	7.4
93.03472	1.7
95.01394	3.3
97.02956	6.8
101.02432	2.9
108.02174	96.2
109.02964	67.9
109.03560	0.7
110.03288	2.2
113.02435	2.4
115.04029	5.6
115.30621	0.9
121.02963	2.1
123.00885	3.0
123.04535	1.3
127.68538	0.8
135.04524	1.3
151.04008	2.2
152.01151	91.5
153.01944	37.7
154.02188	1.3
163.03998	2.8
163.07681	2.3
165.01918	2.4
168.56117	1.1
297.06226	1.1
315.07190	23.3
316.07382	2.2
413.10861	100.0
414.11240	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66058	0.4
54.06067	0.4
55.01899	0.5
57.03453	0.7
59.01381	100.0
60.01710	1.1
61.98840	0.6
63.70687	0.5
69.19085	4.4
71.01370	5.1
72.99345	0.4
73.02949	1.4
75.45791	0.4
81.03459	0.4
83.01398	1.0
85.02943	2.6
89.02452	1.6
91.31997	0.5
95.01434	0.5
98.19841	0.9
99.00922	0.5
101.02441	3.4
113.02437	2.3
119.03551	0.7
125.02451	0.6
135.02965	0.6
151.04198	0.5
161.04570	1.8
162.19492	0.5
209.15482	0.8
353.19833	1.7
371.20804	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	411.166
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.01870	1.3
57.03429	1.0
58.00589	3.2
59.01380	62.7
60.01714	0.7
61.98829	1.6
64.50491	0.7
69.03474	0.7
69.24174	5.2
71.01381	33.3
72.99297	5.8
73.02956	1.1
74.31267	0.7
78.30999	0.6
81.03452	1.0
83.01385	2.9
83.05031	4.8
85.02951	6.7
87.00887	1.1
89.02441	30.1
95.01369	3.5
97.02894	0.9
97.06623	0.7
99.00900	0.9
101.02440	18.3
109.02944	1.2
111.04521	3.2
113.02455	10.1
115.04029	1.5
119.03504	10.8
127.04029	5.7
134.03757	1.9
135.04468	0.9
143.03519	0.8
146.03722	1.8
147.04555	1.4
155.03479	6.3
158.03734	1.2
159.04488	4.3
161.03455	0.7
172.05287	2.9
173.06052	7.8
175.04037	0.8
175.07610	0.7
179.03561	1.0
179.05617	0.7
185.04453	0.8
187.04044	3.4
187.07634	28.2
188.07999	2.4
199.02455	3.5
201.05566	7.8
202.06342	39.1
203.06831	2.1
203.10748	1.6
213.09204	2.7
216.07877	2.6
217.03519	6.0
219.10110	0.9
231.10246	56.8
232.10567	4.4
235.04605	0.8
249.06129	2.1
249.11380	0.8
299.55017	0.6
411.16589	100.0
412.16879	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93820	2.7
54.15682	2.2
56.35964	2.5
59.01377	100.0
71.49616	2.6
107.09023	2.6
158.08723	2.5
281.69241	2.4
411.30936	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	3.0
60.85567	2.0
64.94148	2.0
69.78717	1.9
70.73956	5.8
71.05008	4.2
72.99301	42.6
81.03467	11.3
83.05022	71.6
84.05338	3.0
93.03445	3.7
109.02918	6.2
111.04525	55.0
112.04894	2.9
115.04002	22.7
127.04012	100.0
128.04369	4.0
129.05573	7.9
134.03720	11.3
137.02411	5.8
143.33563	2.1
147.85045	2.1
155.03502	85.8
156.03836	3.8
171.02916	3.5
189.04024	2.4
194.54195	2.4
199.02477	60.7
200.02785	3.4
217.03520	87.6
218.03716	5.4
235.04533	11.0
378.76370	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	411.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88787	1.1
57.03437	1.1
59.01379	10.5
60.01702	1.1
60.96048	1.1
61.46435	1.2
61.98825	9.8
69.03464	1.2
69.13669	1.1
71.01383	5.6
71.24291	3.1
72.99310	23.8
73.02941	5.6
81.03454	12.7
83.01386	4.4
83.05031	16.9
85.02941	3.5
89.02431	2.0
93.03465	9.4
97.02949	11.6
101.02440	3.8
108.02170	2.5
109.02946	22.9
109.40830	1.1
111.00896	1.5
111.04520	34.1
112.04807	1.2
113.02428	1.9
115.04005	3.5
116.82502	1.1
125.02409	1.8
125.06079	2.8
125.19096	1.2
127.04010	32.4
128.04335	1.2
129.05560	3.1
134.03725	2.9
135.04524	16.0
137.02415	3.3
141.05548	4.9
153.01991	1.5
155.02271	2.3
155.03505	41.7
156.03883	2.2
159.02979	2.8
161.02386	1.6
169.05011	6.6
171.03018	1.7
179.03496	25.4
185.04543	35.4
186.04930	1.9
187.06111	15.8
188.06493	1.1
193.05035	1.7
199.02492	30.7
200.02832	1.2
203.05634	9.8
217.03517	30.2
231.05086	100.0
232.05519	5.6
249.06133	70.2
250.06462	3.9
279.14346	1.8
292.88974	1.3
351.20007	2.4
393.08359	2.9
411.18655	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	411.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
59.21524	1.0
71.05028	3.0
71.49424	2.3
72.99306	38.8
73.02899	1.1
81.03459	13.9
83.05024	60.2
84.05357	1.6
93.03452	3.9
109.02927	3.5
111.04520	48.0
112.04845	1.8
115.04011	19.9
127.04013	100.0
128.04337	4.7
129.05576	9.7
134.03731	3.2
137.02440	7.4
155.03497	87.0
156.03839	4.9
171.02948	4.0
173.04613	1.7
189.04062	4.3
193.05011	2.4
199.02478	59.3
200.02815	3.5
217.03519	76.7
218.03848	4.4
229.71272	1.1
235.04500	2.7
304.05975	1.2
348.85550	1.2
411.09479	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	411.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10480	1.9
57.51490	1.6
59.01386	1.9
69.61682	11.1
71.05024	2.6
72.99304	40.1
81.03455	9.2
82.13531	1.5
83.05022	51.1
90.05070	1.7
93.03441	3.5
97.02975	2.1
109.02944	3.2
111.04518	49.6
112.04900	1.7
115.04023	16.0
116.93611	1.7
126.07381	1.8
127.04013	100.0
128.04352	3.8
129.05565	9.1
134.03743	3.3
137.02423	6.8
155.03506	95.3
156.03844	4.7
171.02966	3.3
189.04037	4.2
193.05043	3.6
199.02466	72.2
200.02817	3.9
217.03522	91.6
218.03827	4.9
235.04521	3.8
282.85349	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	409.0929
Annotation	Epicatechin 3-O-p-hydroxybenzoate
Peak:m/z	Relative Intensity
51.68282	0.6
52.21218	0.6
57.03449	3.0
59.01377	4.4
61.98815	1.8
65.07707	0.7
70.14030	2.8
71.01382	2.9
73.02956	1.6
78.42334	0.6
81.03461	2.4
83.01364	3.4
85.02964	1.5
89.02451	0.7
93.03464	9.9
95.01368	1.0
95.05024	3.2
97.02941	5.7
101.02433	3.3
108.02164	1.3
109.02951	19.9
113.02402	1.4
121.02955	4.5
123.04535	12.5
124.04885	0.7
125.02446	19.8
134.03766	1.2
135.04526	2.3
137.02443	20.4
139.04001	3.2
145.02953	3.2
146.03720	1.3
149.02425	5.1
150.03253	1.1
151.03998	7.8
157.06580	0.8
159.03239	0.6
159.04483	3.6
160.34821	0.6
161.02432	1.1
161.04594	2.3
161.06075	5.5
162.03201	1.3
163.03973	0.8
164.01134	2.6
165.01933	18.0
166.02254	0.9
167.03471	1.7
167.75487	0.6
173.06046	1.4
174.03175	0.8
175.04002	1.6
175.07620	1.9
176.38972	0.6
179.03476	5.6
185.06044	1.7
187.04021	4.3
188.04747	3.4
199.07597	0.8
201.05598	1.2
202.06277	1.2
203.07138	13.1
204.07404	1.0
205.05016	7.2
217.08617	0.8
221.08189	2.8
227.07150	2.8
241.05074	1.7
243.06667	2.2
245.08174	15.0
246.08469	1.4
247.06036	0.9
259.06070	4.2
271.06097	2.8
277.16547	1.2
289.07178	100.0
290.07483	10.2
303.10471	0.7
409.09232	2.3
409.20819	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	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01369	0.5
59.40770	0.5
66.82029	0.4
78.95903	70.5
87.48531	0.5
96.96967	4.9
98.19932	1.3
137.88686	0.5
150.98032	1.8
152.99582	100.0
153.99988	1.7
171.00624	2.7
255.23276	2.7
268.95261	0.6
409.23557	13.0
410.23996	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	408.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01382	6.6
61.98816	2.9
65.43864	0.5
65.76479	0.6
66.03484	36.7
67.03824	0.8
69.03464	1.3
71.01386	2.3
73.02950	2.1
76.29382	0.7
83.01390	0.7
85.02950	2.2
87.04517	1.5
89.02459	1.4
93.03449	0.7
95.01387	1.4
97.02948	0.7
101.02439	0.9
107.05071	0.6
108.02173	44.9
109.02959	24.1
109.03583	0.4
110.02480	59.9
110.03181	2.1
111.02814	1.8
111.04543	0.6
113.02440	1.7
120.04598	0.5
121.02998	1.0
123.00870	1.3
123.04535	1.0
123.08157	0.8
124.04024	0.9
125.02420	0.7
133.02960	0.8
134.03728	8.2
134.17278	0.5
135.04056	4.0
136.04156	0.5
149.09641	0.9
151.03995	2.0
152.01147	68.4
152.03596	2.1
153.01944	21.5
154.02254	0.9
163.03983	0.8
165.01971	1.7
165.05592	1.3
166.05914	0.5
171.10278	1.7
172.10686	1.1
173.11803	0.8
175.03993	0.8
193.05020	3.6
194.05417	3.5
196.06944	0.6
201.29031	0.6
207.02974	0.6
214.05901	0.7
227.03479	1.3
228.03787	1.2
243.02943	1.0
244.03308	0.9
255.03056	1.7
256.03409	4.7
256.38037	0.6
257.04114	2.2
281.04681	0.6
315.07224	8.9
316.07629	1.2
331.20892	0.6
377.25500	3.4
378.25702	4.1
389.25378	1.0
390.25735	1.3
407.26468	17.2
408.09256	100.0
408.26807	25.3
409.09671	12.8
409.27170	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	407.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.01380	11.6
61.98826	7.3
70.29033	3.2
71.01369	4.0
72.99292	0.8
73.02944	2.0
83.01404	1.0
83.81758	1.0
85.02933	3.1
87.00875	76.3
87.89414	0.8
88.01183	1.9
89.02451	2.5
89.06429	0.9
96.96018	2.0
99.00890	1.2
99.92592	1.0
101.02427	2.1
109.02961	1.9
113.02443	1.9
113.06066	1.3
116.92806	1.2
119.03489	1.2
121.02926	1.2
123.04479	1.3
125.02461	1.6
128.03532	2.2
134.03728	10.7
135.04523	14.3
136.01639	3.5
137.02483	2.2
149.02466	1.2
149.06020	5.1
150.03194	1.8
151.04001	5.3
153.05606	4.3
154.49794	0.9
155.03464	1.1
160.04001	2.3
160.49323	1.1
161.02402	1.5
165.05582	1.1
185.06026	2.5
195.04503	1.5
197.06033	1.0
199.03918	1.5
211.03952	2.2
212.04689	1.6
213.05589	15.5
214.05861	1.3
221.21101	1.0
223.03941	3.2
224.04668	2.4
227.03513	4.1
228.04192	3.2
240.04134	1.1
241.05055	80.2
242.03156	1.2
242.05383	7.1
243.02881	3.0
245.04509	3.1
249.06291	1.1
253.05080	1.2
255.02962	14.3
256.03732	8.4
256.07391	56.9
257.04361	2.7
257.07733	6.5
267.07004	1.5
271.09738	100.0
272.10092	9.7
281.04550	2.1
283.02393	1.6
285.03964	2.2
288.02808	1.4
297.03833	1.0
319.11829	15.1
320.12143	2.5
345.13171	1.5
389.12567	2.0
393.86703	1.0
407.07614	31.8
407.13321	20.7
407.18936	3.9
408.08038	5.3
408.13568	2.2
425.92310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48520	0.8
57.03448	5.8
59.01380	15.4
61.98808	1.3
69.03468	1.4
69.24926	2.0
69.25342	4.5
71.01376	6.4
71.05005	1.6
73.02950	2.1
82.15302	0.7
83.05034	1.4
85.02945	1.6
87.00883	0.9
87.04527	5.4
89.02446	5.6
95.05011	1.2
97.06600	8.0
99.04527	2.1
99.08127	1.0
101.02428	4.2
101.06095	0.9
109.06575	2.9
111.08157	3.7
113.02465	2.5
113.09752	1.1
119.03498	2.9
123.08162	20.6
125.06048	0.9
125.09675	1.3
127.07648	1.4
135.08173	2.7
137.02472	1.0
138.06886	1.8
138.47205	0.8
139.07689	1.9
139.11296	0.8
141.09187	4.2
149.09720	4.9
150.25029	0.8
151.07697	1.4
152.08443	4.6
153.09209	6.4
155.10794	1.0
157.08762	1.6
163.11418	0.8
167.10760	12.7
168.11205	1.0
169.08739	0.9
173.08122	1.0
179.05614	1.1
183.10228	0.9
187.09744	16.6
187.13358	1.8
199.09669	1.9
199.13181	0.9
215.12849	1.1
217.10789	21.0
218.11154	1.1
231.12360	61.5
232.12733	3.0
233.22514	0.8
243.06261	1.0
243.12431	1.8
243.15927	1.8
245.13980	1.2
266.32272	0.8
305.21234	1.6
311.10364	0.9
331.21432	0.8
375.23718	1.4
387.23843	21.6
388.24316	3.4
405.24960	100.0
406.25241	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	405.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	6.2
58.00601	1.9
59.01379	7.3
59.30734	0.9
59.91430	0.9
61.98824	1.6
62.28230	0.9
69.03454	1.5
69.96676	3.9
70.85597	0.8
71.01387	2.4
71.05003	1.2
73.02943	4.6
75.02451	1.3
83.05035	1.0
85.02942	1.0
87.04514	3.8
89.02456	1.7
97.06578	2.4
98.20658	0.9
109.06599	1.4
111.08128	4.1
123.08157	14.8
127.11292	6.8
129.05576	3.5
137.09738	7.0
139.11278	2.1
141.09222	2.7
149.09717	22.4
150.10028	1.0
151.11343	1.0
153.09241	1.1
155.10703	4.3
159.04562	4.4
165.09177	1.5
167.10771	15.1
168.11122	1.2
171.10284	1.8
185.23851	0.8
187.09766	10.6
195.13943	1.6
201.05617	2.6
201.11322	4.4
217.10846	1.2
217.39684	0.9
225.11331	2.4
227.28600	0.9
231.12354	100.0
232.12662	7.9
243.06606	35.2
244.06932	3.4
259.15491	11.5
329.10977	0.9
345.22922	1.7
373.09000	1.1
387.23889	4.6
405.12271	2.2
405.24939	82.3
406.25269	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01869	2.7
57.03442	1.5
58.00588	1.0
59.01381	31.4
61.98823	2.1
69.26228	4.7
71.01381	23.8
72.99313	1.3
73.02941	3.9
83.01385	4.1
84.72392	0.6
85.02950	10.2
85.06584	3.3
87.00883	1.2
88.81877	0.5
89.02445	13.1
91.35136	0.5
95.01379	1.4
97.06587	0.7
98.20683	1.1
99.00891	4.5
101.02444	14.3
113.02454	8.6
119.03497	5.2
133.02931	1.2
134.03735	1.2
137.02484	1.3
143.03423	0.6
152.73778	0.5
155.14420	7.5
161.04535	0.9
178.02673	0.7
179.05540	0.6
181.12427	0.6
181.16013	3.9
199.13399	18.5
200.13716	1.1
225.14980	4.0
231.10303	0.7
275.09256	1.5
387.20313	1.7
405.21283	100.0
406.21634	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	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	37.8
61.80952	28.9
61.98819	100.0
64.06094	28.4
66.59209	25.8
96.96024	47.0
100.49453	28.9
136.63275	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01859	1.3
57.03431	1.8
58.00573	1.9
59.01379	59.7
61.98833	5.6
70.04788	1.1
70.05183	2.2
71.01382	56.7
72.01712	1.4
72.99304	3.1
73.02959	2.2
74.71642	0.8
83.01362	2.6
85.02949	9.5
87.00871	1.5
89.02444	33.9
95.01390	2.1
97.06583	0.7
97.60022	0.7
99.00873	1.6
101.01796	1.2
101.02440	21.6
113.02447	12.4
119.03501	14.2
125.02430	2.0
127.11269	0.8
131.03500	1.5
137.02446	1.8
143.03467	1.1
147.03017	7.4
149.04466	1.1
150.03148	0.7
153.12840	4.1
161.04543	2.5
179.05618	2.7
199.13402	5.9
207.13882	1.0
225.14999	2.6
231.10320	1.7
243.16034	0.8
275.09207	2.1
289.06735	0.8
371.08905	0.7
387.20209	2.7
405.21259	100.0
406.21616	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	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03450	3.9
58.00591	4.0
59.01380	100.0
60.01702	0.9
61.98827	1.2
67.98483	0.5
71.01381	62.4
71.98186	0.5
72.01720	1.5
72.99306	4.7
73.02944	2.9
74.02486	0.6
83.01400	2.0
84.15087	0.5
85.02952	11.5
87.00873	4.0
89.02445	81.5
90.02776	1.6
95.01414	3.4
99.00884	1.5
101.02442	37.9
102.02763	0.9
113.02448	26.7
114.02791	0.9
119.03503	34.6
120.03849	0.7
122.03638	0.6
125.02466	0.9
125.72714	0.6
131.03511	3.5
139.99371	3.2
143.03479	6.1
143.04608	1.2
149.04518	2.7
154.00383	0.6
155.01736	3.5
159.02974	1.0
161.04555	13.9
162.04820	0.6
167.10741	1.9
167.70311	0.5
179.04166	0.9
179.05617	11.6
179.07184	0.7
179.66083	0.5
180.05994	0.6
180.30684	0.5
232.37958	0.5
243.16025	0.7
301.91949	0.5
307.07632	0.8
310.44879	0.5
405.17157	3.4
405.21762	11.4
406.21353	1.7
426.05466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01874	2.4
57.03448	1.1
58.00595	1.7
59.01381	38.5
61.98832	2.2
65.73626	0.7
69.17538	3.8
69.17958	2.5
71.01380	22.8
72.99312	1.9
73.02959	3.7
75.00817	0.6
81.03448	0.9
83.01390	3.4
85.02959	8.3
85.06592	2.5
87.00868	1.3
89.02441	13.2
95.01383	1.7
97.06590	0.8
98.20668	1.2
99.00879	4.1
101.02438	15.9
107.01378	1.6
113.02454	7.1
119.03490	5.8
124.48907	0.6
125.02435	2.5
137.02457	0.6
142.30836	0.7
143.03532	0.6
147.02956	2.0
151.00360	1.9
155.14427	6.0
159.03064	0.8
161.04514	1.4
179.05679	0.7
181.15964	4.9
183.13744	0.8
199.13390	14.5
200.13692	1.5
225.14963	6.9
243.06595	7.0
275.09280	0.9
345.19263	3.4
346.19586	0.8
387.20090	0.8
405.21252	100.0
406.21652	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01886	1.0
56.77344	0.6
57.03449	5.2
58.00597	4.2
59.01381	100.0
60.01728	1.6
61.98837	2.4
69.49934	5.3
71.01383	65.2
72.99301	3.8
73.02933	4.8
74.02473	0.9
75.00893	0.9
83.01380	3.6
83.49458	0.6
85.02960	13.7
87.00878	3.5
89.02446	80.9
90.02744	1.5
95.01407	4.1
99.00894	1.9
99.05682	0.8
101.02443	38.9
102.02808	1.4
113.02451	30.6
114.02837	0.8
117.07474	0.8
119.03506	35.8
125.02518	1.0
128.03569	2.7
131.03526	3.1
139.99384	10.2
142.06343	0.8
143.03529	6.6
143.04672	3.5
144.04013	1.0
149.04578	3.2
149.09785	1.2
155.01721	9.7
157.26115	0.7
159.02960	1.6
161.04562	12.6
167.10849	3.3
179.05653	11.2
210.16068	0.7
218.56918	0.7
227.14777	0.8
243.15976	1.7
255.08128	1.3
259.27109	0.8
271.08450	1.8
272.08813	1.4
273.09125	0.9
291.01865	0.8
306.07791	1.5
307.08044	3.0
308.07422	1.2
405.17499	3.9
405.21933	11.7
406.21960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43309	1.6
54.51034	1.6
58.00605	1.4
59.01384	17.5
61.98830	44.0
70.16246	5.2
71.01376	13.2
78.95932	1.6
85.02977	4.6
87.00852	7.3
89.02439	11.2
98.20663	2.1
99.13910	1.5
101.02441	10.3
109.02950	5.2
111.00864	3.8
113.02455	8.1
119.03474	6.1
123.00861	1.6
123.04536	1.8
125.02457	4.3
136.01642	3.0
137.02386	5.7
139.99365	18.0
149.02420	5.1
151.00366	1.6
151.03999	5.5
152.04869	1.7
155.01720	17.0
161.04546	4.9
164.01219	2.5
165.01930	30.3
169.01407	2.1
177.01913	16.4
179.03488	61.3
180.04274	28.8
181.04703	3.1
192.04265	6.7
194.05827	21.1
195.06610	100.0
195.15634	1.6
196.06917	4.2
207.06711	1.7
210.05229	3.8
215.07050	2.5
225.07678	24.0
226.08049	1.7
289.07562	1.6
301.07162	4.1
345.06128	7.1
357.11911	6.8
405.10193	13.4
405.17508	7.0
406.10657	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1187
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03429	0.7
59.01377	2.2
61.98808	0.5
66.28833	0.3
71.01381	1.3
71.05010	0.3
71.34199	0.4
73.02914	0.9
74.09091	0.2
75.00866	0.3
83.05013	0.5
85.02923	0.5
87.04470	0.3
89.02417	0.4
97.06577	0.4
101.02417	0.6
107.05019	0.4
109.02962	0.5
113.02434	0.4
119.03478	0.4
123.00909	0.3
129.01903	0.3
133.02859	0.3
135.04483	0.8
143.04971	0.8
145.06508	0.3
155.10648	0.2
157.06535	0.9
158.03661	0.4
159.04521	10.5
160.04810	0.8
161.02457	0.6
171.08142	0.3
172.05327	1.0
173.06049	2.2
175.07643	2.6
179.05721	0.3
180.05994	0.3
181.06589	0.8
183.04443	0.5
183.10265	0.4
185.06070	0.9
187.07605	0.3
197.06097	1.6
198.06764	0.4
199.04019	0.5
199.07643	2.5
200.04802	0.5
201.05577	11.7
202.05893	0.8
213.05637	0.5
214.06248	0.2
215.07062	0.8
225.05585	1.9
241.05081	3.3
242.05392	0.6
243.06601	100.0
244.06931	9.3
247.33832	0.2
285.07809	0.5
311.10175	0.3
329.11411	0.6
345.15872	0.3
387.24179	0.4
405.12009	5.3
405.16501	0.3
405.24985	10.8
406.12299	0.6
406.25284	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	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
55.97040	1.0
57.03442	2.3
59.01378	5.6
68.30058	0.9
69.03452	48.2
70.03795	1.8
71.01389	4.1
72.99310	1.2
79.01884	40.7
81.03452	2.3
83.01413	1.0
85.02961	3.1
89.02445	3.6
93.03458	1.4
95.01388	7.0
96.96009	1.2
97.02941	26.3
101.02454	2.1
103.67620	1.0
107.01385	76.5
108.02211	10.4
109.02976	5.5
113.02460	2.1
119.03519	1.0
119.05045	1.1
121.02954	5.9
123.00858	12.1
123.04508	1.6
125.02446	45.6
126.02801	2.0
133.02991	2.4
134.03775	1.8
135.00894	2.5
135.04529	3.0
136.01668	7.7
137.02415	7.4
143.10785	1.1
149.02467	3.1
150.03134	1.1
151.00360	70.4
151.03951	1.7
152.00925	4.1
153.01913	16.0
155.10748	1.3
163.03987	8.7
175.03912	1.3
177.01917	10.7
179.03424	1.1
197.06056	4.4
197.84351	1.0
211.98106	1.0
242.05827	100.0
243.06552	52.9
244.06949	4.0
279.54727	1.1
285.07648	4.1
297.06042	15.7
298.06348	1.8
309.44467	1.0
315.25461	1.7
345.22797	3.7
387.27460	3.2
405.11887	12.0
405.20798	3.6
405.24664	9.5
405.28821	6.1
406.29517	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	405.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46226	1.4
53.90797	1.2
57.03428	1.6
59.01155	1.3
59.01382	14.4
61.98842	2.9
64.50932	1.1
69.03423	1.6
69.56771	5.4
69.57184	2.3
71.01387	8.3
71.05018	2.5
72.00886	2.7
72.07043	1.2
81.03474	2.4
83.01384	5.8
85.02939	2.8
88.99151	1.3
89.02444	9.2
93.03448	2.8
95.01372	2.3
95.05044	2.0
97.02967	9.0
100.78049	1.1
101.02444	4.0
105.03458	2.1
107.05048	1.9
108.02155	2.7
109.02956	51.9
110.03245	2.8
113.02451	6.6
119.03464	4.4
119.04989	1.5
121.02937	4.3
123.00893	1.8
123.04525	21.0
125.02402	6.1
135.04529	4.5
137.02441	31.9
139.04010	18.9
147.04539	6.0
149.02428	36.2
150.03044	1.5
151.04005	31.3
159.04506	1.6
161.02458	13.0
161.04485	1.7
161.06044	1.8
162.03238	1.7
163.00356	1.9
163.04025	3.5
164.01149	1.8
165.01976	9.9
166.05061	2.4
173.05983	1.7
175.03943	2.6
176.01167	8.4
177.01958	14.6
178.02631	6.9
179.03497	5.2
183.03015	2.4
187.07602	1.5
191.03502	12.8
192.04213	4.0
193.01373	2.5
197.06070	4.0
201.05478	1.7
203.03542	2.3
203.07114	2.2
205.05127	1.5
213.05527	11.7
215.07123	41.4
216.07425	4.8
221.08142	1.5
228.20628	1.5
233.08112	1.9
239.07137	2.3
245.08287	3.6
255.06516	1.9
257.08221	7.8
267.07202	1.7
283.05997	2.9
289.07178	16.4
290.07587	1.9
301.07199	36.3
302.07480	4.0
309.04059	1.7
327.05109	24.5
328.05386	3.2
344.07718	3.0
345.06137	100.0
346.06488	10.5
348.10785	1.4
362.08780	8.8
387.08234	1.6
405.09378	2.1
406.21338	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	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98544	0.4
70.27908	0.2
125.80994	0.2
131.33711	0.2
219.59091	0.2
224.63995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23618	0.3
61.98830	100.0
68.92957	0.3
69.29906	0.3
69.65653	0.7
69.66063	1.1
70.78797	0.3
71.01374	0.3
71.55775	0.3
89.66700	0.3
138.01984	0.6
141.03670	0.5
170.34839	0.4
177.34703	0.3
220.57536	0.3
327.14267	0.3
404.08972	0.4
405.08661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	12.3
59.01384	8.1
70.02959	1.9
70.50821	1.4
71.01372	3.9
71.26886	3.0
74.02474	20.4
82.02953	2.7
86.02477	9.4
86.99086	3.5
87.05647	8.4
89.02420	4.6
90.00179	3.6
90.25706	1.5
97.04087	2.4
98.56439	1.6
99.05030	2.0
99.05645	22.6
101.02433	2.1
101.07207	3.9
102.05584	3.5
109.04060	3.2
111.05666	1.6
112.04034	2.7
113.02444	2.1
119.03460	1.8
120.01273	1.6
123.05658	2.4
127.05122	3.0
128.03542	55.5
129.03876	2.1
135.05653	6.2
136.77443	1.3
141.06662	4.9
143.04619	80.5
145.06172	3.1
146.04576	7.3
153.06688	5.7
160.00745	22.6
166.09834	2.9
167.04573	7.0
177.03326	8.8
179.04602	13.0
181.06218	2.9
185.05704	2.6
197.05646	4.5
198.08852	1.7
210.08885	13.4
231.04434	1.7
242.07735	2.5
254.07822	26.2
255.07915	1.8
272.08878	34.9
273.09116	2.9
288.06635	13.4
300.53381	1.5
306.07648	100.0
307.07761	7.9
347.08218	1.5
401.89108	1.7
404.12567	2.0
422.54877	1.4
426.24661	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	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	10.6
59.01387	3.0
67.72094	1.3
70.87067	3.3
71.01399	2.5
72.00916	1.7
72.38184	1.4
74.02473	20.3
80.92835	1.3
81.01365	1.5
81.04598	1.8
82.03001	2.9
83.06787	1.5
86.02480	10.4
86.99139	1.7
87.05626	5.8
89.02451	2.9
90.00155	1.6
97.04082	2.7
99.05643	18.5
101.02417	2.6
101.07192	3.9
101.13020	1.4
102.05627	2.8
109.04062	2.6
111.05689	2.0
112.04034	3.7
113.02457	1.5
113.03561	1.4
127.05142	3.7
128.03543	57.2
131.04607	2.2
135.05620	4.1
141.06680	4.6
143.04619	79.4
144.04930	3.8
145.06253	2.7
146.04568	6.6
153.06717	7.2
160.00752	20.0
166.09827	3.5
167.04561	5.2
167.08199	3.0
177.03413	6.5
179.04602	18.2
181.06050	2.0
185.05611	2.9
185.53984	1.4
197.05685	3.5
198.08873	2.6
210.08850	16.4
231.04556	1.3
242.07631	2.1
254.07808	23.9
255.08101	1.6
272.08875	37.7
273.09088	3.5
288.06598	9.7
294.47693	1.5
306.07639	100.0
307.07880	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	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.74134	0.9
99.11453	0.4
99.49669	0.4
251.68150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.6
58.00592	4.0
59.01378	85.3
61.98827	5.0
65.52441	2.0
70.34242	6.9
70.93015	2.1
71.01381	47.7
72.01759	1.9
72.99327	3.4
73.02970	2.2
81.03458	3.6
83.01393	9.0
85.02952	8.3
87.00891	2.5
87.74335	2.3
89.02443	59.9
93.03445	2.4
95.01387	4.1
97.02950	7.7
97.06622	2.7
99.04515	6.1
101.02445	25.0
109.02943	14.7
111.04494	2.5
113.02441	19.3
119.03494	24.4
121.02968	4.0
123.04525	11.2
124.05335	3.2
125.02446	31.0
131.03539	2.4
132.04568	3.5
135.04533	3.1
135.11766	5.7
137.02455	33.6
139.04024	4.4
143.03487	3.0
146.03722	4.9
149.02406	5.6
150.03206	5.2
151.03979	3.4
159.04475	5.2
160.04041	6.5
161.04619	4.8
161.06033	4.5
161.09778	2.7
164.01131	8.0
165.01926	23.3
167.03459	2.6
171.84863	2.4
173.06094	7.0
174.03244	3.0
175.03946	5.6
175.07607	11.0
179.03493	5.5
179.05586	5.7
179.10773	47.2
180.11137	2.8
185.06189	2.5
187.04019	4.1
187.07716	2.8
189.05623	2.3
197.06059	2.6
200.60956	2.1
201.09262	2.8
202.06316	3.9
203.07133	19.0
205.05052	5.7
205.08812	2.2
213.05559	9.9
217.08635	2.7
221.08241	2.2
223.07568	4.9
223.09761	100.0
224.09993	8.5
229.08678	5.2
233.98344	2.3
240.04146	2.3
241.05061	91.9
242.05380	8.0
242.87804	2.3
245.08145	8.8
247.09624	7.2
283.10782	2.3
289.07217	34.4
294.83133	2.3
323.12833	7.7
333.06793	2.1
335.02612	2.1
359.11435	4.4
367.11847	12.0
385.13083	10.7
403.14090	35.8
403.22772	14.1
404.14258	6.7
404.52066	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	403.1245
Annotation	Eriosemaside B
Peak:m/z	Relative Intensity
55.01872	2.8
57.03440	2.0
58.00551	1.4
59.01384	18.6
61.98830	21.1
66.31207	1.1
69.03425	2.0
69.49110	7.8
71.01382	69.2
72.99290	1.4
73.02944	21.6
78.37047	1.1
83.01382	9.5
85.02453	2.3
85.02950	35.1
87.00869	1.7
89.02444	11.6
95.01409	10.4
97.02953	2.6
99.00887	23.9
101.02440	34.6
108.02174	93.4
109.02959	100.0
110.03251	2.6
113.02450	28.2
123.00886	4.6
123.04527	2.3
125.02488	2.2
131.03462	2.8
133.02937	1.7
134.72964	1.5
137.02309	1.9
143.03500	4.8
151.04042	9.5
159.03017	7.8
161.04552	66.8
162.04866	2.9
163.03983	3.2
191.05621	3.6
213.39584	1.3
271.08218	41.9
272.08542	2.9
403.12454	99.2
404.12781	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87628	2.7
57.03416	11.8
59.01356	5.2
59.44789	2.2
61.98792	8.3
69.82107	5.2
69.82525	10.7
71.18730	2.7
73.02891	3.3
81.03438	5.9
83.00912	2.1
83.01365	16.7
83.16142	2.8
85.37706	2.4
93.03457	2.9
95.04971	4.7
95.75565	2.7
97.02910	6.4
97.06587	2.8
98.20675	3.1
99.04470	2.6
109.02946	12.6
121.02871	5.6
122.03734	4.2
122.06052	7.1
123.04459	5.5
125.02438	57.8
130.02983	3.7
132.04568	21.9
137.02444	86.7
138.02734	4.4
146.03618	11.4
147.03230	3.3
149.02330	5.1
149.06038	2.6
150.03189	16.2
151.03864	5.0
158.02545	12.3
158.03537	3.7
159.04460	5.8
160.03931	10.9
161.06004	3.6
162.05544	3.3
164.01154	15.9
165.01918	43.0
166.02219	3.6
167.03481	12.1
172.05212	3.3
173.05930	10.7
174.03085	8.2
175.03874	4.8
175.07637	22.0
176.03416	11.4
176.04758	4.5
176.07082	3.1
177.01816	5.3
179.03510	14.3
184.06155	3.3
184.07619	3.1
185.05905	2.5
187.03691	2.9
187.07553	4.3
189.05511	2.9
190.02605	2.9
190.05081	25.6
193.40948	3.0
200.04594	6.0
203.07133	14.7
205.08597	4.6
211.12247	5.6
212.10735	3.3
215.06950	5.3
215.11810	5.1
217.08479	8.1
223.08636	5.3
224.09589	13.1
227.08179	5.8
229.08690	13.5
239.11964	26.4
240.10251	4.8
241.04999	2.8
241.09724	10.0
247.09654	14.2
253.06198	23.5
254.06519	3.8
255.07671	3.4
255.11409	5.4
256.08224	3.7
259.09421	3.8
267.07501	8.5
268.08478	15.9
281.09021	6.5
283.10880	62.9
284.10901	10.1
289.06937	11.3
299.12909	5.2
309.08780	21.9
323.13013	14.6
327.09830	70.7
328.09924	4.7
341.10895	4.4
359.12051	5.8
367.07645	2.9
367.11829	29.7
371.08780	57.7
372.08688	7.3
385.13177	17.5
386.13318	4.3
403.11099	100.0
403.23135	39.8
404.11197	14.7
404.23300	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	401.1449
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.00159	1.3
55.01880	8.8
57.03440	5.8
57.77440	1.7
58.00596	2.7
59.01379	52.2
62.25554	1.1
69.46667	9.4
71.01382	88.8
72.99319	3.3
73.02943	41.5
75.00890	2.7
78.95920	2.1
83.01387	18.8
85.02953	45.0
86.00129	1.4
87.00876	4.7
87.66097	1.5
89.02434	15.4
95.01386	8.3
97.02953	4.6
98.20614	3.0
99.00875	24.4
101.02441	69.3
109.03000	3.7
110.98547	2.2
111.00896	2.8
113.01633	2.0
113.02443	37.1
121.02956	3.0
123.04594	1.6
125.02452	6.3
129.01964	1.9
131.03488	1.5
137.02432	12.1
141.01927	2.3
143.03529	4.9
145.02966	2.5
146.02599	1.2
146.03754	4.0
151.04041	2.8
154.80254	1.3
159.03014	10.3
159.04494	2.6
161.02504	3.3
161.04558	56.0
162.03253	5.5
162.04907	1.9
164.01187	5.3
165.01944	27.3
167.03496	1.7
174.03273	2.2
175.04094	1.6
176.04865	1.7
177.05574	3.5
179.10742	1.9
187.04015	1.4
203.07202	3.1
205.03503	1.9
217.08781	3.9
235.09743	8.4
245.08177	2.5
269.07727	1.5
269.10294	89.3
270.10757	7.5
401.14618	100.0
402.15079	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37965	54.4
56.05547	56.3
56.65031	48.0
58.81299	53.1
61.52566	54.7
98.11260	53.6
98.20758	100.0
149.22357	56.1
170.64085	56.3
223.97835	56.8
255.07062	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	1.3
57.03443	2.5
58.02947	1.0
59.01377	13.2
59.13681	0.7
61.98832	1.1
63.45520	0.7
69.03459	1.5
70.72913	1.0
71.01380	37.0
72.99285	0.9
73.02941	11.1
77.86884	0.7
81.03425	1.0
83.01400	5.8
85.02944	14.7
87.00870	1.4
89.02443	6.8
91.87831	0.8
95.01393	2.7
95.04991	1.0
96.00912	1.1
97.02957	1.8
99.00877	12.4
101.02440	19.1
102.02731	0.7
107.05031	100.0
108.05404	4.5
109.02964	6.3
113.02441	16.1
121.02957	2.2
123.00887	0.8
123.04506	4.8
123.08144	0.8
125.02451	9.5
131.03537	1.1
131.04544	0.8
135.04530	1.1
137.02411	7.2
139.00410	1.5
141.01915	1.3
143.03497	2.0
149.02448	1.5
151.03970	3.3
153.01947	1.3
155.04526	0.9
159.02982	3.5
159.04236	0.8
161.04564	42.8
162.04884	1.2
163.07668	0.9
164.01190	1.7
165.01924	4.0
166.02750	1.1
166.79587	0.7
167.03471	1.9
173.06088	1.1
175.03902	1.2
175.07660	1.8
177.01978	0.9
179.03487	2.5
179.07056	1.0
181.01410	1.4
187.07625	1.5
191.05618	2.3
203.07227	1.7
205.05055	1.3
217.08752	1.0
221.08209	1.0
245.05794	1.0
245.08267	2.1
269.10327	6.0
289.07236	3.0
303.05026	1.0
304.05649	1.0
345.19531	0.8
383.11420	2.1
399.51456	0.9
401.14709	44.9
402.14420	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	401.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01379	8.8
69.03445	1.2
69.39909	5.0
69.40334	3.4
71.01382	12.9
71.05026	1.9
73.02962	7.0
78.97699	1.3
81.03443	1.1
83.01381	5.3
85.02949	8.7
89.02454	1.4
93.03468	3.1
95.01368	2.2
97.02952	4.2
99.00887	3.1
99.04520	1.3
99.90372	1.0
101.02463	9.6
101.03060	1.8
109.02950	5.6
111.00868	1.3
113.02449	4.7
121.02953	5.8
123.00906	1.2
123.04511	1.6
125.02448	12.2
135.04509	1.2
137.02438	45.3
138.02798	2.8
139.04047	1.6
141.01923	2.6
145.02957	5.4
146.03722	10.4
151.04033	2.5
159.04524	8.3
161.02499	6.3
161.04553	8.2
161.06042	4.7
162.03227	27.7
163.00357	3.9
163.03670	1.6
164.01137	14.4
165.01926	100.0
166.02321	4.3
167.03493	5.6
170.03542	1.3
172.05370	1.3
174.03238	4.1
175.03957	3.0
176.04828	6.1
177.05568	9.3
179.03384	1.4
183.04407	1.3
187.04022	6.5
188.04732	2.3
199.07593	2.2
215.07173	2.7
216.07832	1.3
217.08659	16.6
218.09169	1.1
224.04800	2.5
225.05295	1.8
227.07104	4.1
233.08173	3.6
235.09714	25.8
236.09969	1.7
238.06218	1.5
239.07141	1.2
245.08163	5.2
257.08167	1.8
269.10278	12.8
270.10742	1.9
281.08282	2.5
297.11258	1.6
307.06091	2.7
315.12302	1.4
325.07135	3.6
329.74982	1.1
360.08789	1.1
365.09882	1.6
380.70978	1.5
383.11264	9.3
401.12943	22.6
402.03134	2.2
402.12534	3.2
415.97562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1238
Annotation	Rubiginosin B
Peak:m/z	Relative Intensity
57.03445	4.0
58.80440	1.1
59.01380	1.8
60.91852	1.0
67.49613	0.9
68.99824	1.3
69.03447	1.6
69.61056	3.2
69.61484	3.1
71.01366	2.8
71.05017	1.4
77.03941	2.0
79.01910	1.2
81.03452	1.9
83.01390	4.9
85.02946	1.0
93.03459	2.6
95.01405	2.5
95.05029	1.3
96.92941	1.4
97.02943	4.2
98.20619	2.0
99.04505	1.8
107.05023	1.1
108.02235	1.2
109.02956	6.3
120.02168	1.4
121.02958	9.6
123.04515	4.4
125.02440	16.2
131.05028	1.5
135.04527	2.0
137.02438	51.4
138.02789	1.8
139.00403	1.6
139.03976	1.2
141.01883	1.4
142.52208	1.1
145.02966	3.3
146.03725	10.8
148.89555	1.0
149.02434	1.4
149.06009	1.2
150.03157	1.3
151.03990	2.8
159.04489	10.1
161.02446	6.5
161.06075	5.1
162.03217	28.1
163.00385	6.0
163.03906	1.8
164.01140	19.1
165.01927	100.0
166.02264	3.7
167.03503	8.8
170.61951	1.0
172.05217	1.4
173.02502	1.4
173.06107	1.2
174.03192	4.4
175.03992	6.9
176.04817	6.5
177.05565	13.0
179.03487	1.7
187.03963	5.2
188.04726	1.6
189.05521	1.9
197.06044	1.8
199.07552	5.0
200.04689	1.2
201.05614	1.7
201.09062	1.2
205.05032	1.8
209.93492	1.1
215.07083	2.5
216.07784	1.6
217.08656	21.6
218.09012	2.1
224.04994	1.3
227.07045	4.4
233.08202	4.3
234.08659	1.8
235.09734	27.0
236.10172	1.7
237.05484	1.1
239.06987	1.7
245.08081	6.6
257.08090	1.9
268.07394	2.1
275.09088	1.2
281.08173	3.6
297.11398	1.7
307.06097	2.5
315.12335	1.6
325.07156	5.4
339.12015	1.4
347.09113	1.5
357.13547	1.3
365.10330	3.3
383.11282	12.9
384.11551	1.4
401.12442	28.4
402.12750	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.1
62.82819	0.8
68.99791	0.9
69.03455	1.3
71.18158	0.8
81.03437	4.3
83.01398	4.2
90.46047	0.7
93.03439	2.0
95.01355	0.9
95.05036	6.0
97.02949	7.7
99.04544	0.9
105.56602	0.9
107.05035	1.6
108.02133	1.1
108.61165	0.9
109.02949	28.3
109.06568	2.3
110.03316	0.9
111.04503	1.8
119.61716	0.8
121.02959	6.0
122.03783	2.0
123.04520	17.0
124.04816	1.3
124.82698	0.9
125.02449	20.4
127.07635	3.1
131.04991	1.1
133.02963	1.3
135.04495	2.8
137.01465	1.4
137.02443	16.7
139.04008	6.2
145.02966	1.6
146.03749	2.0
147.04410	1.0
149.02451	7.5
149.06111	1.0
150.03123	1.3
151.04013	12.1
153.01976	2.3
159.04579	4.0
160.05180	2.0
161.02428	3.6
161.06076	6.0
162.03186	2.4
163.00395	2.7
163.03984	2.7
164.01152	5.4
165.01942	8.7
166.02635	0.8
167.03448	2.8
173.06049	1.3
175.03976	5.0
175.07626	2.7
177.01913	3.5
177.05579	1.9
179.03496	7.7
185.06049	1.5
187.04027	7.1
188.04828	5.3
193.08650	0.9
195.06610	8.4
199.07732	1.1
201.05548	1.0
202.06276	3.1
203.03479	1.0
203.07127	19.1
204.07378	1.3
205.05072	14.0
217.08665	1.7
221.08151	5.9
227.07112	3.1
229.51749	0.9
230.05875	1.2
231.02998	1.2
234.05373	1.7
235.06169	1.7
245.08176	22.8
246.08546	2.6
247.06149	2.3
249.60445	0.9
271.06091	1.3
289.07175	100.0
290.07492	10.1
339.12497	1.4
357.09778	3.6
383.11270	3.2
401.12396	53.0
402.12634	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88435	1.5
59.01365	2.8
69.72535	10.8
71.01367	8.1
72.99321	1.9
73.02943	6.2
77.17579	2.0
85.02964	9.3
87.00879	62.6
98.20730	2.0
99.00885	2.8
101.02435	3.9
111.00905	3.9
113.02413	3.3
120.85725	1.6
121.02946	2.7
123.00860	6.6
131.03568	2.6
135.04530	3.1
138.03217	2.3
139.04004	1.9
149.02376	4.0
151.00342	3.8
153.05588	2.0
161.02483	12.1
163.03992	20.6
164.04802	16.9
165.05522	5.7
166.02696	9.2
173.02400	5.0
175.03958	5.6
176.04800	13.3
177.01912	4.1
178.02524	2.2
178.06325	22.7
179.03557	12.8
179.07146	39.5
181.05063	8.3
187.03923	2.7
188.04790	3.1
189.01956	2.6
190.02750	2.1
191.03520	22.7
191.07228	9.2
192.04170	3.4
193.05103	10.7
193.08684	5.8
194.05888	11.4
202.06435	2.2
203.03484	7.7
205.01517	2.3
205.05052	12.5
206.05885	9.0
207.06538	4.7
209.08087	9.7
218.05791	3.4
219.02979	7.6
220.03716	3.3
221.04558	5.0
221.08176	6.3
222.05261	2.5
231.03003	2.6
234.05307	5.2
235.02464	3.0
235.06139	2.2
236.06772	3.0
237.07622	6.7
238.04808	4.4
246.05338	1.9
247.02435	7.3
247.06126	4.8
249.07605	5.4
251.09221	4.9
261.07593	2.3
262.04828	11.5
265.07162	68.6
266.07486	7.9
277.07150	38.0
278.07373	2.7
279.08762	1.8
291.08640	2.1
295.08203	92.2
296.08514	6.5
325.09283	3.9
337.09357	3.8
355.10361	22.4
356.10678	2.5
356.67026	1.8
383.09793	8.2
401.10855	100.0
402.11230	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	399.1085
Annotation	Lespedezacoumestan
Peak:m/z	Relative Intensity
55.26823	0.7
55.34905	0.7
57.01684	0.8
57.03447	6.4
59.01358	2.7
69.03450	2.3
71.01378	3.3
71.05017	1.0
73.02942	1.0
81.03442	1.7
83.01392	3.1
85.02955	2.7
89.02449	1.5
93.03474	1.5
95.01389	1.0
95.05032	3.6
97.02946	8.3
98.20675	1.5
101.02446	1.9
109.02947	3.2
111.04533	1.0
113.02419	1.6
121.02949	2.1
122.03731	2.1
123.00881	2.5
123.04510	2.6
125.02441	28.9
133.06584	1.8
134.03737	2.0
135.04536	1.3
137.02441	18.9
138.03123	1.5
139.00421	1.0
139.03998	2.5
146.03745	1.3
147.04449	0.9
147.08157	0.9
148.05275	0.8
149.02460	1.2
149.06091	1.9
151.00365	1.6
151.04051	0.9
157.06572	1.9
159.04501	4.2
159.08167	1.3
160.05287	1.6
161.02449	1.9
161.04576	1.5
161.05965	1.0
161.09648	1.5
162.03271	5.2
163.00356	0.8
163.03979	1.1
164.01205	3.7
165.01941	11.1
166.02452	1.2
167.03506	2.1
171.04437	0.9
171.08160	3.2
172.05330	1.3
173.05997	1.4
174.03183	1.4
174.06779	1.6
175.04031	1.9
175.07640	18.9
176.08000	1.3
179.03490	5.4
185.06065	1.3
187.03947	1.1
187.07625	3.2
188.01022	1.3
188.04836	1.8
189.05618	1.0
189.09213	9.9
191.07152	2.7
197.06082	1.1
199.03981	1.5
199.07535	1.4
201.01845	0.9
201.05585	1.5
203.07100	1.5
204.04286	2.0
204.07875	0.8
205.08714	4.7
213.05557	4.6
214.06247	0.8
215.03435	1.2
215.07104	3.2
216.07770	0.9
217.08687	6.9
218.09030	1.1
219.06638	5.4
220.07352	1.0
225.05724	0.9
227.03458	1.1
227.07068	2.5
227.10774	0.9
228.07838	1.6
229.08798	1.6
231.06583	2.8
233.08179	9.2
234.08517	1.0
240.07689	1.7
241.05017	5.5
241.08603	0.8
241.12390	1.0
242.05853	2.4
244.03705	0.9
253.08681	1.4
254.09174	1.0
255.06668	2.8
256.07162	1.2
259.06119	3.4
261.07642	6.1
267.10269	1.3
268.10873	1.5
269.08209	1.9
269.11792	3.9
270.08917	1.4
271.09583	1.8
273.07642	2.3
283.06375	1.2
284.06918	1.3
285.11310	6.0
287.09219	1.7
298.08167	0.9
303.12390	4.5
311.12921	2.9
312.09940	1.4
313.10791	6.9
315.08670	7.1
327.12363	7.6
328.12820	1.1
331.11908	1.7
337.10690	1.0
353.10635	0.9
355.11838	16.5
356.12173	2.7
381.09735	2.8
399.10809	100.0
400.11008	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	399.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64020	1.2
55.01867	4.7
57.03449	17.9
59.01376	1.6
67.01850	1.1
68.99804	1.3
71.01378	7.4
71.49797	1.6
72.99296	5.1
73.02946	2.7
75.00863	2.2
83.01378	8.5
84.02174	5.8
85.02949	100.0
86.03253	2.6
87.00876	1.9
99.00860	2.1
99.04517	1.8
101.02437	5.0
103.03973	1.1
111.00878	28.9
117.03493	1.7
125.02449	3.0
129.00966	1.7
129.01941	35.7
130.02223	1.3
134.03732	12.8
147.02982	1.2
149.06084	1.7
161.04558	6.1
178.02711	1.9
187.02455	2.2
193.05025	6.7
205.03539	26.1
206.03900	2.0
223.04578	22.5
331.48300	1.1
399.09088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69342	0.7
57.03448	6.9
59.01377	3.4
61.98830	1.9
64.58705	0.7
69.03448	1.3
70.32454	2.9
71.01375	1.7
71.05031	0.7
76.01640	0.7
79.95750	1.0
81.03481	2.9
83.01408	3.2
85.02961	1.9
86.64326	0.7
93.03460	1.4
95.01376	1.5
95.05057	1.8
97.02950	4.6
98.19984	1.0
99.00933	1.1
99.04541	1.9
101.02482	0.8
101.06100	2.5
103.80494	0.8
107.05042	1.0
108.02172	100.0
109.03008	14.8
111.00892	1.3
113.02502	1.0
121.02991	2.9
123.00894	1.8
123.04538	2.6
125.02442	35.3
126.02878	0.7
133.02948	1.0
135.04568	2.4
137.02435	10.6
137.06136	0.9
139.00441	1.5
139.04028	1.1
141.01970	2.3
143.17018	0.7
149.02428	1.9
149.06090	1.5
151.00459	1.2
151.03983	3.6
152.01147	48.5
153.01945	16.0
154.32204	0.8
159.04570	1.1
160.05302	1.2
161.02451	4.4
162.03249	1.7
163.03992	1.9
164.01213	3.1
165.01927	6.2
167.03535	3.1
172.05334	2.5
173.06154	1.6
175.04045	2.8
175.07674	1.4
176.04781	1.2
177.01944	0.9
177.05630	0.8
179.03487	10.0
181.01538	1.5
181.05069	1.8
185.06131	1.0
187.07657	8.2
188.08017	0.9
189.05615	2.3
189.09290	2.3
191.07152	5.4
199.03998	1.0
199.07704	1.4
202.02840	1.5
202.06425	1.1
203.07204	1.0
204.04300	1.8
204.08086	0.8
205.08771	3.2
209.07280	2.1
211.03914	0.8
212.04846	1.0
213.05690	2.6
215.07040	4.2
216.07480	0.8
217.05177	1.1
217.08818	2.1
219.06621	5.5
219.10165	1.5
227.03575	1.0
227.07243	1.3
229.08723	1.3
231.06584	1.1
232.07498	0.8
233.08205	7.0
237.05600	0.9
241.05138	2.2
242.05870	1.2
243.06732	3.4
245.08292	2.4
255.06763	2.9
257.08295	1.8
261.07684	7.2
267.10184	1.1
269.08264	1.0
271.09970	1.0
273.07776	6.9
273.10898	1.0
276.33371	0.9
278.09537	2.4
279.06665	0.8
279.32187	0.9
284.98022	0.8
285.03256	1.2
285.11343	1.5
287.09305	1.0
295.09882	1.2
297.08102	1.2
303.12482	1.7
313.10947	1.8
315.08890	1.9
327.12506	3.4
331.12320	1.3
340.09543	2.1
355.11984	4.5
355.15762	2.3
363.08838	1.6
381.09860	2.1
399.13181	58.5
400.13623	7.1
400.19492	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	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.7
57.03444	19.5
59.01333	1.3
59.65242	1.0
60.71357	1.2
71.01381	5.9
71.28484	2.4
73.02945	2.0
76.36435	1.0
83.01380	9.0
84.02151	1.7
85.02947	100.0
86.03266	2.7
87.00871	1.7
101.02436	4.9
111.00878	30.5
118.16799	1.0
125.92421	1.2
129.01939	40.4
130.02202	1.4
134.03729	11.5
142.55858	1.2
161.04523	2.1
163.98509	1.2
178.02699	1.5
187.02429	1.8
188.37811	1.0
193.05029	6.5
205.03487	22.0
223.04572	17.5
224.04865	1.5
418.21011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97650	1.2
55.01881	4.9
57.03448	16.8
59.01379	4.5
59.10832	1.1
67.01888	1.5
69.36241	2.4
69.36643	8.4
71.01372	8.9
72.99315	2.9
73.02952	2.8
75.00869	2.5
83.01391	12.2
84.02166	2.4
85.02948	82.7
86.03290	1.7
87.00883	2.2
100.65579	1.1
101.02447	9.4
111.00878	34.5
112.01199	1.1
115.62695	1.2
125.02454	1.7
129.01949	32.7
134.03703	11.5
137.02498	1.6
143.03546	1.4
147.02991	2.5
150.06841	1.2
161.04541	3.3
175.03944	1.3
187.02446	1.7
187.07545	1.2
193.05037	4.3
205.03514	32.6
223.04578	100.0
224.04904	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	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.6
56.25201	0.9
57.03446	15.8
59.01376	4.0
61.11434	0.9
68.99805	1.6
71.01382	9.7
71.39017	1.1
73.02957	1.9
73.64227	0.9
75.00858	2.2
83.01389	9.1
84.02162	2.9
84.05953	0.9
85.02950	83.5
86.03309	2.1
87.00843	2.1
94.62674	1.1
101.02452	6.8
103.04049	1.1
111.00885	31.3
129.01947	31.6
134.03754	10.9
138.71205	0.9
147.02972	2.3
149.36479	0.9
161.04535	3.2
179.05612	1.4
193.05078	4.7
205.03514	35.5
206.03833	1.8
223.04579	100.0
224.04875	3.9
253.63980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
57.03448	21.2
59.01344	1.1
67.01881	1.1
68.18574	0.9
69.39414	3.6
69.39833	2.7
71.01370	5.9
72.99294	1.3
73.02941	2.2
75.00860	1.8
83.01386	9.9
84.02177	2.0
85.02951	100.0
86.03268	3.2
87.33591	0.7
93.87562	0.8
95.71356	0.8
101.02457	6.1
111.00879	25.5
112.01260	1.1
117.03464	1.3
129.01941	40.5
134.03735	10.1
143.03531	1.0
160.01671	1.1
161.04524	2.6
177.04128	0.9
187.02411	1.3
193.05058	9.0
205.03517	23.8
206.03856	1.5
223.04588	19.4
224.04900	1.0
227.43526	0.8
312.49887	1.0
357.24353	0.9
395.15024	1.0
404.01730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.332
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
65.15422	1.1
79.81493	1.3
79.95705	1.5
83.60747	1.2
85.17631	1.2
90.42538	1.2
93.90388	1.2
96.96014	9.0
115.32816	1.1
136.00958	1.3
145.69887	1.3
212.26793	1.1
225.17526	1.3
293.28699	1.3
335.33167	59.9
336.33530	9.2
353.34698	1.6
379.32205	15.3
380.32388	2.6
397.22681	8.9
397.33197	100.0
398.33563	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	398.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27499	0.5
57.03448	0.9
59.01376	5.5
61.07765	0.5
61.98832	100.0
64.47549	0.5
69.57012	1.6
69.57414	1.2
71.01386	3.6
71.85686	0.5
80.46910	0.5
83.01382	0.9
83.07133	0.5
85.02946	4.5
87.00941	0.6
89.02441	1.1
96.96014	1.1
101.02467	1.8
109.02944	3.1
111.00892	1.6
113.02445	0.7
121.02921	0.8
123.00829	0.6
125.02422	0.8
129.01993	0.8
134.03748	1.1
135.04517	0.6
137.02469	1.1
148.05287	0.9
149.02489	0.7
153.01982	2.6
160.05290	1.1
161.02402	0.7
161.04597	1.8
161.06004	0.6
163.00117	0.6
165.01949	1.9
173.04582	0.5
175.04076	0.5
178.06351	1.1
179.03535	0.9
193.05075	0.7
193.08667	2.9
205.03502	0.7
215.03513	1.3
219.06715	0.6
223.04646	0.9
234.05894	0.7
236.67798	0.6
243.03029	2.4
247.06175	0.8
251.11328	2.5
275.05701	1.0
303.05222	1.2
335.07742	5.3
398.09534	0.7
399.12848	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	397.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11006	1.5
59.01378	4.9
59.43890	1.8
60.74391	1.7
61.98821	1.9
66.09296	1.5
71.01386	2.7
71.05007	2.5
71.21354	3.5
71.66425	1.7
72.99307	37.1
81.03448	7.9
83.01397	2.7
83.05027	52.9
84.05320	2.1
84.07415	1.5
84.23974	1.9
86.73435	1.6
93.03451	6.0
95.88608	1.6
97.02943	2.6
101.02435	4.9
109.02946	1.9
111.00869	4.5
111.04523	34.7
112.04838	1.8
113.02407	1.8
115.04001	23.2
127.04010	100.0
128.04349	4.6
129.05569	8.1
130.27068	1.8
135.04507	11.4
137.02429	5.8
141.01910	6.1
149.94984	1.7
155.03500	90.7
156.03799	4.2
159.02995	2.5
171.02972	5.8
179.03499	10.9
189.03978	4.0
193.05006	2.2
199.02478	58.9
200.02798	5.7
203.01833	3.1
204.43903	2.2
217.03523	94.9
218.03911	5.4
235.04552	98.1
236.04884	5.7
379.06653	4.9
386.43607	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	397.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	12.4
59.01373	15.3
61.98832	15.8
65.55730	2.9
69.22030	24.0
71.01386	6.3
78.17866	3.3
79.28642	2.4
79.95760	3.3
80.93359	2.3
83.01397	6.6
85.02948	2.4
96.95988	4.8
101.02439	5.4
109.02930	4.1
113.02494	3.2
116.76129	2.6
121.02940	2.9
124.01667	4.6
125.02449	61.6
125.71136	2.5
137.02409	15.1
149.02452	6.8
165.01828	13.3
167.03571	4.0
176.54819	2.5
177.01773	3.7
196.64908	3.0
198.03172	2.4
212.04720	3.0
213.05516	18.8
216.04289	14.7
217.05139	2.7
219.06999	2.6
223.03966	9.3
228.04312	6.8
228.10638	2.6
229.05026	9.9
231.06639	9.1
241.05049	94.4
242.02194	9.4
242.05432	8.7
243.02925	10.2
244.03691	3.2
255.02963	10.7
256.03754	35.1
257.04443	8.7
259.06097	7.1
271.06104	100.0
272.06549	15.8
353.10104	4.1
368.05103	4.1
379.08194	11.1
397.09335	11.9
397.18286	4.1
408.47702	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66852	0.6
59.01373	3.7
61.98810	1.0
67.01890	1.5
71.01377	1.8
72.99294	1.4
83.01375	1.5
83.05017	1.0
85.02950	4.9
88.04034	0.9
93.89118	0.6
97.02967	1.1
99.00907	0.7
101.02417	1.8
109.02970	1.6
110.83095	0.6
111.00878	32.3
111.04531	1.3
121.02957	2.0
127.04012	0.8
129.01920	1.8
130.36580	0.7
132.03050	0.7
133.02968	2.0
134.03737	62.2
135.04051	3.0
137.02429	11.9
139.04004	3.3
149.02464	3.0
149.06078	19.7
150.03149	1.0
150.06387	1.4
150.10681	0.7
154.99832	3.8
156.79388	0.6
161.02458	1.2
173.00882	9.0
173.04543	3.7
178.02705	36.7
179.03020	2.9
191.01970	0.8
193.05043	100.0
194.05371	6.4
223.06190	1.1
229.12589	0.8
231.05138	0.9
232.05408	1.4
233.05473	1.3
289.12061	0.7
397.11435	2.5
398.18784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3163
Annotation	7,11,15-Trimethyl-3-methylene-1,2-hexadecanediol diacetate
Peak:m/z	Relative Intensity
50.46968	0.3
51.53644	0.4
54.33346	0.4
59.01377	1.1
66.28908	0.3
76.64679	0.4
79.06865	0.4
82.28877	0.4
99.41566	0.4
123.69966	0.4
139.97343	0.3
151.12529	0.3
200.66888	0.4
305.28491	0.5
331.30020	0.5
333.31619	48.2
334.31964	8.1
351.32654	2.0
377.30582	16.2
378.30859	2.3
395.31628	100.0
396.32001	16.0
396.35867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44985	0.4
59.01378	0.6
61.98823	0.6
67.01887	3.5
70.63824	0.7
70.64146	0.7
72.99303	3.7
83.01389	2.8
84.51920	0.6
85.02953	16.3
87.23761	0.5
99.00917	0.5
101.02441	1.5
111.00882	100.0
112.01247	3.0
116.85591	0.4
120.02632	0.5
120.13390	0.4
129.01965	4.7
134.03757	2.4
145.93056	0.5
149.02449	0.9
149.06096	0.7
154.99876	13.9
155.03625	0.5
156.00203	0.7
163.01109	0.4
173.00917	24.6
174.01228	1.2
178.02681	1.4
193.05058	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	397.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
65.42894	1.4
69.03458	1.7
71.05005	1.9
72.99303	32.8
81.03461	5.7
82.03844	1.6
83.05022	54.3
84.05374	1.9
85.02958	1.3
93.03445	3.2
97.02939	2.7
98.19847	3.1
109.02936	2.5
111.00857	5.1
111.04517	36.7
115.04007	22.6
127.04010	100.0
128.04300	3.3
129.05582	8.0
135.04526	14.4
137.02420	4.8
141.01978	2.5
155.03505	88.4
156.03802	6.5
171.02971	5.5
179.03491	15.1
189.04089	3.3
199.02478	60.9
200.02774	4.0
217.03519	98.4
218.03824	4.3
235.04555	90.4
236.04912	5.3
251.94321	1.5
379.06735	5.9
409.42087	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	393.3009
Annotation	Petromyzonol
Peak:m/z	Relative Intensity
50.19069	0.8
55.23034	0.9
57.16182	0.9
59.01376	2.3
64.81902	0.9
70.63730	1.9
83.05521	1.0
167.26976	1.0
188.32248	0.9
291.42587	1.0
331.30057	24.1
332.30328	3.5
349.30771	1.7
357.23856	1.3
357.27930	6.0
358.28342	1.8
375.28946	19.6
376.29449	3.8
393.30084	100.0
394.30411	15.2
415.95612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66222	1.2
69.03449	3.0
69.46732	5.0
69.47148	5.3
70.60877	1.3
72.99303	21.9
73.02935	7.2
81.03454	12.6
82.03787	1.5
83.01382	6.7
83.05032	8.7
85.02946	2.8
93.03468	7.5
97.02963	17.9
108.02184	5.5
109.02950	41.0
110.03275	1.8
111.04508	24.6
113.06073	2.9
115.04005	1.3
119.05020	13.5
123.04507	1.3
125.06081	2.3
127.04017	9.9
127.76485	1.4
137.02519	1.7
141.05566	6.9
143.50069	1.5
145.57329	1.5
155.03493	24.9
159.03026	2.0
163.04010	20.1
169.05081	5.4
185.04538	39.6
186.04887	1.6
187.06084	14.6
199.02480	14.6
201.04050	9.0
203.05577	14.5
219.05083	1.8
225.89868	1.5
231.05086	100.0
232.05397	6.9
249.06093	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	395.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77116	0.8
57.03434	0.7
58.00578	0.8
58.86329	0.9
59.01376	7.2
61.98828	1.1
69.19226	4.0
69.19659	3.7
71.01381	5.8
83.05018	3.4
85.02957	9.6
85.06573	1.0
95.05031	4.2
111.04485	3.0
113.06089	30.6
114.06371	1.2
127.03999	1.4
129.05544	4.0
134.03712	8.7
139.03969	1.9
149.06015	1.1
157.05037	5.0
173.04550	9.0
178.02669	2.4
183.03003	1.3
183.76968	0.7
193.05098	10.4
201.04037	100.0
202.04425	4.9
219.05101	11.1
220.05354	0.8
306.13028	0.8
412.50119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53482	0.4
57.03447	0.5
58.00563	0.6
59.01381	6.5
59.23126	0.4
61.98844	0.8
67.69411	0.5
71.01383	4.8
71.50983	0.5
81.03471	0.6
83.01369	0.7
83.05023	1.7
85.02950	8.0
85.06626	0.7
94.45774	0.5
95.05025	3.0
96.96021	0.6
109.02955	0.5
111.04530	3.3
112.04824	0.6
113.06087	26.0
114.06388	1.2
115.00371	0.5
125.67641	0.4
126.61508	0.5
127.04000	1.3
128.03560	0.6
129.05569	3.4
132.03021	1.1
134.03746	12.1
135.04095	0.8
137.02396	0.5
139.04013	2.2
141.01907	0.5
149.06058	0.6
155.03477	1.4
157.03912	0.5
157.05092	4.8
173.04572	8.0
178.02727	1.5
183.02971	1.3
193.05042	7.5
194.05370	0.5
201.04039	100.0
202.04359	5.6
219.05098	17.6
219.07231	0.9
220.05522	1.2
226.06406	0.5
231.05098	0.9
237.05241	0.4
285.07635	0.5
297.07773	0.7
326.08411	1.1
358.14859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
57.03433	1.4
57.90102	1.2
58.00594	2.5
59.01378	100.0
60.01682	2.2
69.03430	1.5
69.30824	1.2
71.01382	65.4
72.99307	6.1
73.02945	21.5
75.00863	1.8
81.03450	15.3
83.01363	3.7
83.05026	12.7
85.02949	16.5
87.00874	3.5
89.02441	77.6
90.02756	1.6
93.03455	5.9
93.71414	1.3
95.01362	5.7
96.95989	1.2
97.02940	1.2
99.00880	78.5
99.92577	3.0
100.15305	1.2
101.02438	31.9
109.02966	6.3
110.02460	1.7
111.04516	65.3
112.04862	2.1
113.02447	42.8
114.02708	1.7
115.03968	1.4
115.92052	2.5
116.92859	14.3
117.03440	2.8
119.02667	1.4
119.03497	21.8
121.02939	3.4
122.03699	2.1
123.00830	1.9
127.04014	98.4
128.04343	3.6
131.03503	14.0
134.03731	39.0
137.01624	1.5
137.02451	15.4
143.03467	5.7
149.02490	3.5
149.04549	34.3
149.06003	3.8
150.03207	12.9
150.04852	1.5
153.05524	2.2
155.03500	85.7
156.03770	3.9
157.40167	1.2
161.04547	25.4
162.04839	1.2
165.05576	15.9
166.99866	2.2
175.03969	1.4
178.02716	3.7
179.05591	12.9
182.02238	5.9
191.05594	36.7
193.05029	28.8
193.79590	1.2
194.05513	1.3
195.06636	6.7
197.04524	8.9
197.87274	1.2
199.02484	26.4
213.11208	2.4
217.03568	9.3
231.02914	1.4
233.06656	5.8
261.13336	3.2
300.09760	1.3
345.09897	1.4
393.08170	3.4
393.17554	47.5
393.27789	2.2
394.17731	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83669	0.7
55.01869	4.9
57.03446	2.5
58.00579	0.9
59.01379	31.0
60.01712	1.1
61.98798	1.0
69.03452	1.0
69.43362	3.9
69.43789	1.9
71.01382	42.4
72.01727	1.6
72.99301	2.0
73.02949	21.6
75.00881	1.1
81.03455	2.8
82.02962	0.8
83.01386	8.8
83.05027	3.2
85.02949	20.1
86.03307	1.2
87.00875	2.3
89.02458	7.3
91.61131	0.8
93.03460	1.4
95.01389	3.7
97.02942	1.3
99.00880	10.1
99.76260	0.7
101.02446	42.2
109.02975	1.2
111.00922	1.3
111.04524	11.1
112.01716	0.7
113.02458	19.7
115.12477	1.0
127.04008	16.6
129.01978	1.3
131.03462	2.0
134.03732	5.2
137.02451	1.9
143.03497	1.7
146.03732	0.7
155.03497	14.1
155.95987	0.8
159.02965	3.7
161.04561	18.7
179.07137	1.7
181.05067	0.8
182.05809	0.8
193.05009	2.6
197.08142	1.1
199.02524	6.6
217.03532	1.1
261.13419	53.3
262.13617	4.5
358.94312	0.9
393.17633	100.0
394.17969	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	393.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07114	0.7
59.01378	2.8
59.95016	0.8
69.59589	0.7
69.66885	3.1
69.67299	2.3
81.03448	12.5
83.05024	6.7
93.03456	4.9
109.02937	5.0
111.04518	50.4
112.04846	2.3
112.05573	0.8
117.03473	1.5
127.04013	100.0
128.04382	4.9
130.74667	0.8
134.03725	9.5
137.02458	6.3
149.06067	0.8
155.03508	80.0
156.03818	4.4
176.69476	0.7
193.05045	6.6
199.02477	37.1
200.02899	1.1
217.03496	1.0
224.94484	0.8
230.02876	0.9
244.83199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.3
62.74616	1.4
64.19070	1.5
69.02526	1.6
69.19202	13.0
69.19599	4.3
72.99301	2.3
76.20196	1.4
81.03456	14.3
83.05016	10.7
83.29833	1.6
90.51009	1.5
93.03435	6.5
109.02914	5.5
111.04529	49.8
112.04813	2.4
117.03419	1.9
127.04015	100.0
128.04320	4.2
134.03749	41.7
137.02420	5.4
139.71214	1.3
147.86052	1.9
155.03505	85.8
156.03848	4.5
163.65883	1.4
164.95213	1.6
172.95538	1.5
193.05084	14.3
194.05302	1.7
199.02481	53.6
200.02710	1.9
201.50961	1.4
217.03510	20.9
290.45572	1.3
327.55936	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	393.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03437	0.7
57.16530	0.6
58.16168	0.7
59.01100	1.1
59.01374	12.1
61.98839	1.0
64.00084	0.7
65.03978	0.8
67.65803	0.7
69.48313	5.1
71.01373	1.1
72.99279	1.0
81.03449	17.7
83.01392	0.8
83.05019	13.4
85.02933	1.2
89.02441	1.5
89.03944	0.9
93.03458	4.6
101.02436	0.9
109.02928	5.5
111.04514	65.7
112.04836	2.8
117.03451	3.4
127.04008	100.0
128.04373	4.2
129.05585	0.9
134.03731	38.6
135.04440	2.5
137.02432	12.6
149.06111	4.0
155.03496	80.8
156.03835	4.3
160.01701	0.9
168.83298	0.8
171.02994	1.2
173.04672	1.1
175.03941	1.0
178.02724	6.0
179.03497	2.4
193.05037	31.0
193.06812	1.7
194.05379	1.9
199.02464	19.6
200.02794	0.8
209.11787	4.9
217.03526	6.3
231.02957	1.5
247.79691	0.7
283.07370	0.7
392.27353	9.4
393.08090	3.9
393.27725	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	393.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
59.01368	5.6
65.03944	1.7
69.91537	2.1
69.91940	3.4
71.01371	1.3
72.99288	2.2
81.03448	17.5
83.05022	14.5
84.87441	1.0
90.67627	1.1
93.03455	6.1
109.02950	5.8
111.04518	61.5
112.04847	3.0
115.04004	1.6
117.03442	2.2
127.04005	100.0
128.04356	3.8
129.05563	1.8
134.03732	54.7
135.04086	2.6
137.02419	11.6
149.06033	4.5
155.03493	81.6
156.03801	3.0
173.04596	2.6
178.02733	3.8
193.05035	27.1
194.05399	2.2
199.02464	25.5
200.02794	2.2
217.03511	17.2
253.55309	1.3
392.27234	11.1
393.08258	3.5
393.27725	6.7
394.27231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
65.03967	1.3
69.71439	5.9
77.14299	1.4
77.81896	1.4
78.62303	1.4
81.03449	18.1
81.11736	1.4
83.05021	8.8
93.03446	6.0
96.92033	1.5
98.19985	2.0
109.02914	6.6
111.04520	58.1
117.03459	2.0
122.71577	1.2
127.04012	100.0
128.04323	2.9
134.03738	15.7
134.64830	1.3
137.02431	7.9
155.03500	92.3
156.03822	2.9
193.04976	7.1
193.81349	1.3
199.02469	43.2
217.03535	2.6
233.69069	1.5
301.22253	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	392.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10051	5.5
59.01379	23.6
61.98830	100.0
78.95912	24.3
81.03460	9.3
96.02241	5.1
107.82074	5.4
111.04515	12.9
127.04016	24.2
134.03705	6.5
151.62627	8.0
155.03503	25.8
167.01112	11.3
167.10707	8.5
196.14186	10.7
199.02477	10.0
223.13327	16.9
224.13722	68.0
286.05936	7.1
339.46313	6.4
392.15497	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	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49732	3.2
59.01376	8.0
61.98829	100.0
67.69491	2.5
73.96104	2.9
79.46209	2.8
81.78213	2.5
83.04984	2.9
95.13795	2.7
96.96014	4.5
100.69696	2.5
105.11286	2.7
111.04498	4.7
127.03981	10.5
143.38132	3.1
149.62820	2.9
155.03473	11.5
199.02426	4.2
247.59044	2.8
305.67416	2.7
376.68991	2.8
395.49811	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	392.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81244	1.6
59.01379	100.0
61.28230	1.5
69.17075	4.9
69.17493	12.5
74.10166	1.5
81.86704	1.5
96.96024	7.6
98.20602	3.1
111.04465	2.1
127.03999	4.2
127.65544	1.5
155.03464	1.9
199.02370	1.8
280.01041	1.6
393.19427	3.7
395.94452	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	391.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	19.5
58.03796	0.4
59.01377	13.9
69.03449	2.1
71.01374	0.8
73.02951	1.1
85.02953	1.4
85.06587	3.4
89.02433	1.0
95.05040	0.6
97.06593	1.7
98.20668	0.9
101.02436	0.5
108.96326	0.5
113.06075	0.9
120.57059	0.4
125.00417	0.4
125.09679	0.4
127.07656	0.5
151.11234	0.5
153.12836	1.9
171.13908	1.3
195.13869	0.7
213.14951	4.3
223.62309	0.5
265.97430	0.4
299.22281	3.7
331.24860	0.8
345.26517	2.4
391.26978	100.0
392.27316	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	392.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54486	1.2
57.03464	2.8
59.01368	7.5
61.98827	1.5
68.74110	1.3
68.99815	56.1
71.01373	5.2
73.02944	1.8
79.28232	1.2
83.01392	2.0
83.05006	2.0
84.00895	2.2
85.02961	1.7
87.04514	7.3
89.02477	1.2
96.95967	1.7
96.99309	48.4
96.99948	2.4
97.06558	2.4
97.99583	1.3
99.00887	11.1
101.02444	2.8
103.04012	34.9
109.02928	1.6
110.02440	1.5
110.36532	1.3
111.04515	6.8
112.00416	19.7
113.74635	1.5
120.16637	1.4
126.01946	1.7
127.04023	9.5
134.03767	3.0
139.04041	1.9
139.48221	1.4
142.01465	2.9
146.04625	1.5
155.03496	8.2
159.03029	3.6
162.01955	5.7
172.02452	1.7
174.05583	2.2
175.02664	3.6
175.03992	1.5
176.03419	2.5
177.04294	2.7
186.05640	1.4
188.07135	7.2
189.05614	10.0
190.05075	6.3
190.08629	2.1
192.02834	1.5
192.06630	1.9
197.16756	1.3
199.02507	6.1
200.03601	2.0
202.08676	3.7
203.07248	1.8
204.06427	3.4
204.07944	4.7
216.03094	1.3
216.06621	19.1
217.03601	1.7
217.07140	2.8
218.08214	2.3
219.10226	3.2
220.02455	1.6
228.06631	2.2
230.04568	1.8
230.08180	3.7
231.08963	12.1
232.09637	1.8
244.06128	1.6
246.11333	13.3
248.01949	5.7
256.06195	2.2
257.06937	2.4
258.07672	4.8
259.08359	4.6
263.04321	4.3
273.02771	2.4
274.07025	4.6
286.07294	8.2
288.05115	1.9
289.09531	1.7
300.08865	3.5
301.09262	2.6
302.06696	7.3
302.10281	5.4
304.12045	3.1
318.05991	1.4
332.07651	6.5
332.11398	25.4
333.04807	3.9
333.11713	3.3
346.09296	16.2
347.10083	6.2
348.07150	9.6
350.08670	1.6
360.10760	2.5
361.11633	9.1
362.08746	6.4
362.12491	3.5
377.11304	1.4
392.13470	100.0
393.13702	11.9
406.03842	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	391.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	11.1
59.01116	0.4
59.01379	6.6
69.03452	2.1
69.57542	2.4
71.01380	2.6
71.05006	2.2
73.02940	1.1
81.03442	0.6
83.01379	0.4
85.02936	1.4
87.04518	0.7
89.02435	0.5
97.06590	1.2
99.00869	0.6
99.04505	1.4
99.08146	0.5
101.02393	2.0
109.01670	0.5
109.06644	0.5
111.08133	0.4
113.02447	0.7
123.08197	0.7
125.09732	1.6
127.07572	0.5
127.11275	1.0
137.09726	3.2
143.10760	1.0
145.08725	0.8
155.10786	4.8
159.02954	0.6
161.04601	1.2
169.12262	0.6
171.13885	1.4
179.14386	0.8
181.15964	2.5
182.16367	0.4
205.03749	0.4
207.10248	0.4
207.14027	0.5
209.15410	0.9
210.07675	1.0
215.43571	0.4
227.16493	0.4
231.10135	0.4
235.17049	0.5
239.20132	1.0
251.20064	0.6
299.22107	1.2
310.41400	0.4
345.26447	2.1
381.77448	0.4
391.27002	100.0
392.27386	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12147	0.3
57.03449	18.4
58.03782	0.6
59.01100	0.4
59.01377	4.7
63.75109	0.2
65.30875	0.3
69.03465	2.3
71.01385	0.4
71.05019	0.7
73.02923	0.3
75.54100	0.2
83.05046	0.5
85.00446	0.3
85.02952	0.6
85.06586	1.7
95.05025	0.9
97.06588	0.9
97.57212	0.3
101.02427	0.4
101.97466	0.2
104.70069	0.3
111.11368	0.2
113.02411	0.2
113.06084	0.6
123.08150	0.8
125.09721	0.5
127.07686	0.5
129.09225	0.9
133.01465	0.3
143.10728	0.4
151.11263	0.9
153.12848	1.1
169.12312	0.4
171.13861	1.0
181.08661	0.4
181.15964	0.4
183.13818	0.3
195.13899	2.7
211.16968	0.5
213.14949	1.4
239.20204	0.4
241.18130	0.4
243.12216	0.5
257.21332	0.4
259.19089	0.6
279.23514	0.4
281.21268	0.6
297.24225	0.9
299.22223	5.2
300.22632	0.6
306.92053	0.3
327.25528	0.3
331.24948	0.3
341.88004	0.3
345.26535	2.5
346.26999	0.3
373.26166	0.4
391.26987	100.0
392.27353	13.8
392.32654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
58.00612	0.5
59.01379	100.0
60.01728	1.2
65.79242	0.6
66.86340	0.6
69.03474	0.7
69.78669	1.1
69.79077	2.1
71.01382	16.8
73.02944	7.7
79.81945	0.6
83.01411	2.3
85.02946	3.4
87.00894	0.9
87.04544	0.5
89.02443	13.9
95.01424	0.8
98.20610	1.2
98.53133	0.6
99.00893	1.4
99.94547	0.6
101.02444	13.7
113.02449	7.1
119.03499	5.1
120.03905	0.6
131.67348	0.5
143.03525	1.3
161.04572	4.9
179.05595	2.9
185.11931	0.7
187.13423	5.1
188.13799	0.6
201.06552	0.7
216.08974	1.5
229.14471	0.8
236.51013	0.7
253.14670	0.7
269.08255	0.9
298.69058	0.6
331.17734	2.0
349.18640	11.9
350.19104	1.1
391.23575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.5
57.03446	14.8
59.01378	97.8
60.01714	0.9
61.98833	0.9
67.61205	0.4
69.03459	1.5
69.30499	1.1
69.30900	2.9
71.01386	7.5
71.05019	1.0
73.02948	2.6
83.01389	0.6
85.02959	2.8
85.06609	0.4
87.00892	0.8
87.04497	0.8
89.02459	1.3
93.89996	0.4
97.06618	0.6
98.20686	1.0
99.00920	0.7
101.02444	4.1
109.01701	0.7
109.06582	0.6
111.08186	1.2
111.82921	0.5
113.02433	2.9
119.03454	0.7
119.05077	0.5
123.08167	2.4
125.09731	2.3
127.11298	1.4
133.01413	0.6
137.09715	3.7
141.38734	0.5
143.10809	1.0
153.09229	0.9
155.10744	3.3
157.12352	1.0
159.03027	0.6
161.04593	3.7
171.13899	0.9
181.15955	2.2
192.14879	0.5
249.22290	0.8
251.20215	2.0
269.11111	0.4
281.21289	0.5
295.22519	0.7
299.22278	1.1
328.42566	0.4
331.17725	1.8
343.25043	0.7
345.26376	1.5
348.29822	0.5
373.26114	0.9
391.27026	100.0
392.17621	0.9
392.27368	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42315	1.0
55.85851	0.9
56.30332	1.0
56.71299	1.1
57.03436	1.2
59.01160	0.9
59.01378	11.6
61.98825	2.4
62.12372	1.0
68.21021	1.2
69.03448	2.7
69.17368	1.7
69.17769	11.1
71.01372	3.8
78.95908	9.2
90.50187	1.2
96.95997	1.4
97.36958	1.0
110.98537	7.7
125.09681	1.5
167.01178	2.0
167.10683	5.4
179.10730	1.6
179.14357	3.8
185.02225	7.6
195.13876	10.6
205.12340	13.1
206.12827	1.1
217.08542	1.3
223.13383	100.0
224.13643	8.8
275.09415	2.0
391.14984	7.2
391.27063	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12497	0.5
57.03439	1.3
59.01385	7.4
61.98836	0.8
69.03432	3.2
71.01381	1.2
71.05005	0.7
78.95901	7.1
80.96543	0.7
96.95994	1.0
97.06586	0.7
98.20652	1.6
104.22959	0.7
109.89525	0.6
110.98525	6.6
125.09677	0.8
137.02438	1.2
149.09702	0.8
154.28677	0.7
167.01103	1.8
167.10767	3.6
177.12820	0.7
179.10786	1.7
179.14349	4.8
185.02188	6.6
195.13887	13.5
196.14175	1.0
205.12300	10.6
206.12758	1.2
223.13379	100.0
224.13695	8.7
228.97540	0.8
273.03513	2.3
275.09088	1.6
284.08414	0.6
317.02283	3.6
318.02716	0.8
355.08347	1.3
386.97534	0.7
391.06598	0.9
391.15143	7.3
391.26883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1035
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
55.01880	0.2
57.03422	0.5
59.01380	24.2
60.01685	0.3
61.98818	0.3
63.02396	0.7
63.96222	0.3
65.00322	6.4
69.03458	0.3
71.01388	2.1
71.05003	0.3
72.99300	0.4
73.02933	0.9
83.01385	4.2
83.04996	0.6
85.02956	1.3
87.04511	0.6
88.27096	0.2
89.02460	1.4
93.03474	0.4
95.01405	0.3
97.02905	0.3
97.04038	0.3
97.06602	0.3
99.00858	0.4
101.02456	1.6
107.01390	7.6
109.06584	0.9
110.06049	0.3
111.08136	0.4
113.02452	1.1
119.03537	0.4
119.05025	3.4
120.05323	0.3
121.02953	2.7
121.06561	0.4
123.04565	0.5
124.01610	0.5
125.02447	1.6
134.04694	0.4
135.04530	1.1
135.98346	1.3
137.02435	1.2
139.07646	0.7
139.11273	0.2
141.07092	0.5
143.05022	3.7
144.05353	0.4
145.02954	9.7
146.03290	0.6
146.04491	0.3
147.04480	0.4
149.02425	0.5
151.00366	17.8
152.00719	0.8
153.09203	0.6
157.06584	0.6
161.02461	0.5
161.04610	0.8
161.06070	4.1
163.03972	0.4
165.05487	0.3
173.08322	0.3
175.02740	0.6
176.03481	0.3
179.07104	0.4
180.07924	1.3
183.10339	0.4
185.06065	7.5
186.06416	0.7
187.04004	0.5
195.06534	0.3
203.09216	3.7
211.09583	0.3
215.06908	0.2
217.10764	2.0
225.05559	1.6
227.06879	0.4
229.05046	100.0
230.05385	8.9
243.06465	0.3
243.12373	1.9
253.04988	1.2
261.05515	0.4
271.06055	1.8
271.08374	0.3
331.17633	1.5
343.11771	0.3
358.14081	0.4
359.07797	0.3
361.16541	0.8
363.12048	0.3
373.16574	0.6
373.22202	0.4
376.15289	0.3
391.10181	5.3
391.17883	3.7
391.23355	4.9
391.27286	1.7
392.10748	0.8
392.18521	0.4
392.23654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
80.96487	4.4
98.90910	3.8
115.03738	2.9
167.39478	3.0
204.75670	3.2
253.13454	3.5
255.23355	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.61631	8.8
69.93124	9.1
70.79704	17.2
88.97539	8.6
98.20612	10.0
131.25185	10.6
143.19279	8.6
144.15611	10.2
238.90353	9.3
393.88058	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28743	4.7
53.15907	4.4
59.01368	31.3
61.98831	100.0
77.32444	4.1
78.95899	15.7
110.98488	14.2
116.49653	4.7
121.14534	4.8
167.01158	5.5
195.13791	8.7
221.94778	5.0
223.13394	65.8
254.48178	5.4
391.15176	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2546
Annotation	bhos#24
Peak:m/z	Relative Intensity
57.03444	4.0
57.76598	0.4
59.01378	1.3
69.03446	1.0
69.32297	3.3
70.49059	0.5
80.96497	0.5
83.04998	0.4
96.96072	0.4
115.28605	0.4
148.02925	0.4
189.46043	0.5
194.26219	0.4
209.93605	0.4
237.18617	0.7
237.22237	2.4
239.20233	0.5
251.23785	0.6
253.21700	4.8
254.22015	0.6
257.73425	0.4
279.23306	2.4
281.21323	0.5
291.23273	0.5
295.22812	0.6
297.20575	0.5
309.24396	4.0
323.22357	0.9
325.23785	1.1
327.25360	14.6
328.25769	1.8
343.24857	13.5
344.25296	1.6
353.23331	3.7
355.09744	0.4
371.24390	15.9
371.29077	0.8
372.24738	2.0
389.25446	100.0
390.25784	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.28690	0.5
55.01874	0.8
57.03426	0.5
59.01379	62.5
60.01717	0.8
67.63583	0.4
70.82053	1.1
70.82394	0.9
71.01376	11.4
73.02937	2.2
83.01382	1.7
85.02948	4.9
87.00864	0.8
89.02442	5.4
95.01395	0.8
96.00915	0.8
99.00871	1.4
101.02441	8.7
113.02422	3.9
119.03523	2.9
137.99147	0.5
145.30521	0.5
149.09752	1.1
159.02942	0.5
161.04547	1.7
165.01035	1.3
209.11819	0.6
280.00836	0.7
308.80612	0.5
313.08472	0.5
329.15988	1.2
361.18936	0.5
371.17062	1.5
385.11948	0.5
389.18137	100.0
390.18469	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	389.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96503	0.4
57.03445	4.9
58.00576	0.5
59.01376	4.0
65.71853	0.3
65.87489	0.4
71.01378	2.0
71.05011	4.2
72.02180	0.4
73.02941	1.4
81.07084	0.8
83.05025	6.0
85.02952	1.1
85.06572	0.5
87.04511	1.7
89.02435	0.5
92.80762	0.3
97.06590	2.1
98.20663	0.9
99.04530	0.5
100.02721	0.4
101.02428	0.8
101.06071	0.7
113.02413	0.6
115.07651	2.7
125.09731	0.4
129.09215	0.7
137.02473	0.4
139.07623	0.5
141.09221	0.8
147.04518	0.9
153.12834	0.9
155.14445	0.6
159.10297	2.2
159.82457	0.5
161.04492	0.5
163.04012	0.6
173.02022	0.3
175.04013	2.5
176.04820	1.0
179.14276	0.4
180.04216	0.8
183.13892	1.6
189.05519	0.6
190.06351	1.9
191.07108	1.1
193.05032	1.0
193.16064	0.5
194.05795	0.5
197.15575	0.7
205.08617	1.9
207.13924	0.4
208.07413	0.8
209.11896	0.4
209.15460	0.4
209.22623	0.4
223.17061	0.6
227.16579	0.5
229.14462	0.5
229.26889	0.5
267.06735	0.4
329.23468	0.5
341.23389	1.1
347.17303	0.5
355.21420	0.5
359.24301	4.7
360.24680	0.5
371.24283	2.4
387.23892	0.9
389.16223	3.5
389.25436	100.0
390.17697	0.5
390.25763	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	389.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
58.00583	0.4
59.01382	2.3
68.78590	0.2
68.99832	0.2
69.03429	0.2
70.88292	0.3
71.01402	1.1
71.05019	0.7
72.02149	0.3
73.02951	1.7
83.05013	0.7
85.02952	0.4
85.06584	7.2
86.06935	0.3
87.04523	1.8
87.08141	0.7
89.02447	0.6
95.05042	0.4
97.06584	2.4
99.08140	0.7
101.02429	0.4
101.06059	0.3
104.64696	0.2
109.06572	0.3
111.08173	1.5
113.02457	0.2
113.06055	0.5
113.09666	0.2
115.07647	4.1
119.03522	0.2
121.10233	0.4
123.08178	1.1
125.09744	0.2
127.11189	0.2
129.09213	1.2
132.02785	0.2
139.07629	0.4
141.09201	0.7
143.10794	0.4
149.13268	0.2
151.11227	0.3
153.12845	0.8
155.14413	0.6
157.08723	0.4
159.10272	2.7
160.10625	0.2
163.11295	0.3
165.12775	0.2
167.14357	0.4
169.12331	0.2
175.11182	0.2
179.14400	0.2
181.12370	0.4
183.13893	2.0
195.13901	0.4
197.15439	0.8
199.13300	0.3
213.14943	0.4
215.12834	0.2
224.35437	0.2
227.16615	0.4
229.14345	0.2
249.22112	0.3
251.20122	0.2
261.08505	0.2
261.16968	0.4
269.21280	0.4
311.22467	0.2
329.23328	0.5
336.36591	0.2
341.23312	1.0
356.05698	0.2
359.24350	6.9
360.24734	0.7
371.24310	2.7
372.24817	0.4
373.22308	0.3
387.23978	0.6
389.25427	100.0
390.25754	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	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03449	1.9
58.00591	1.9
59.01378	91.9
60.01711	2.1
65.77802	0.6
69.45005	0.8
69.45411	3.7
71.01381	41.3
71.05030	3.2
72.01718	0.7
72.99306	1.8
73.02940	8.2
73.68257	0.6
74.65060	0.7
82.93821	0.6
83.01382	4.7
84.24982	0.5
85.02952	12.9
87.00876	2.1
89.02440	28.1
90.02754	0.7
90.45950	0.7
95.01398	3.0
96.00927	0.9
97.02929	0.6
98.19920	1.4
99.00903	2.6
101.02440	26.7
111.51876	0.6
113.02446	18.1
119.03502	13.3
125.02439	0.7
131.03482	1.0
137.09700	1.0
139.07634	1.7
143.03494	2.2
146.04561	1.1
147.11824	1.5
149.04477	1.1
153.09158	1.1
155.10771	6.5
159.02959	2.4
161.04535	10.9
165.12932	0.7
179.05611	2.5
191.10802	0.8
207.60037	0.6
209.11794	6.4
210.12120	1.1
220.61595	0.7
227.13074	1.1
227.16512	14.6
228.16751	1.1
317.75806	0.7
329.15765	0.8
371.16934	1.0
389.18063	100.0
390.18433	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	389.1452
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01877	1.7
57.03437	2.1
58.00592	4.0
59.01379	100.0
61.98809	2.8
62.98788	1.5
70.50944	4.3
71.01381	62.1
72.99289	3.9
73.02943	5.2
80.09508	1.2
81.08228	1.2
83.01385	5.6
85.02956	14.5
87.00857	4.1
89.02448	66.8
95.01385	4.0
101.02444	36.1
109.02924	2.6
113.02451	24.1
119.03503	25.6
131.03474	4.5
137.02466	14.2
138.03026	1.2
143.03482	3.3
151.03938	4.0
152.04762	7.6
161.02458	9.2
161.04544	4.9
161.74095	1.2
176.04774	8.1
179.03490	21.5
179.05470	2.8
184.03824	1.5
191.07103	2.5
194.05838	22.2
195.06218	2.5
197.04620	1.6
209.08199	55.2
210.08496	3.0
212.06882	9.8
213.07397	1.4
216.67871	1.3
223.89209	1.3
227.09247	32.0
228.09532	2.0
389.14554	19.7
395.32465	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	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58312	0.5
53.86433	0.5
59.01378	100.0
60.01721	0.7
61.44677	0.6
61.98825	2.6
71.01399	1.8
78.69408	0.6
89.02443	1.3
101.02447	1.5
106.22931	0.5
108.91531	0.5
113.02445	1.7
124.08681	0.5
161.04567	1.0
167.10771	42.6
168.11168	2.4
178.61888	0.6
186.46899	0.6
208.49997	0.6
209.11768	0.6
211.89891	0.5
217.47601	0.5
229.04967	0.6
273.11084	0.5
274.11163	0.5
285.20572	0.6
311.22122	0.7
329.16431	0.7
385.42838	0.5
389.25452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1454
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01866	2.9
57.03442	4.3
59.01380	35.8
61.98843	1.1
70.00857	2.9
70.01252	1.8
71.01382	43.4
72.17003	1.3
72.99305	3.0
73.02948	14.5
75.00881	1.8
83.01402	7.5
85.02953	21.2
87.00871	5.4
89.02448	16.5
95.01383	3.6
99.00885	5.4
101.02443	33.4
109.02981	5.2
113.02454	15.7
119.03518	7.9
131.03497	4.9
137.02441	50.5
138.03075	3.7
143.03490	1.9
152.04796	24.1
153.05540	4.2
156.87814	0.9
159.02980	3.0
161.04514	8.5
167.07057	4.9
169.70851	1.0
179.03604	5.1
179.05640	2.0
184.03812	6.5
193.05058	1.8
194.05821	4.2
197.04486	3.1
205.03548	1.1
209.08163	8.8
212.06914	31.7
213.07295	1.3
221.06705	2.7
227.09247	100.0
228.09554	7.0
242.95921	2.0
334.71692	1.1
348.44583	1.1
356.37521	1.1
389.14511	58.0
390.14920	6.6
408.31689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1243
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
50.40351	0.4
57.03452	3.5
59.01377	8.8
69.03423	0.6
69.55061	0.5
71.01385	6.3
71.05000	0.7
71.51675	0.8
73.02956	2.4
83.01385	0.5
83.05019	0.8
85.02943	3.1
87.04502	0.6
89.02433	5.1
92.95367	0.4
95.01366	0.8
97.06573	1.7
99.00854	0.9
99.08143	0.9
101.02444	5.1
107.04991	0.4
111.08099	0.9
113.02457	2.9
113.09716	0.5
117.03422	0.7
119.03474	2.1
119.05009	1.5
123.08172	0.8
125.02428	0.7
125.09714	0.5
137.09715	0.9
141.07106	0.8
143.05029	7.3
143.10738	1.6
145.02896	0.5
155.10767	2.1
157.06578	1.6
157.08777	0.7
159.08125	1.7
161.04533	2.4
163.04012	0.7
165.01859	0.6
165.12767	0.6
171.10281	1.0
179.05539	0.8
181.06642	0.6
182.07249	0.8
183.08124	2.2
185.06061	11.9
185.11879	0.6
186.06371	0.9
201.77602	0.4
209.15483	0.6
225.05440	0.7
227.07130	100.0
228.07477	9.0
231.12349	0.6
249.18452	0.7
265.52951	0.5
291.07956	0.6
329.19766	0.8
329.23346	2.4
341.23297	1.5
354.91269	0.5
359.24292	3.8
371.24536	3.4
389.25491	53.9
390.25876	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	389.1089
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01859	1.9
57.03438	1.5
58.00590	1.2
59.01379	27.4
61.98835	3.5
65.00293	0.7
67.01892	0.7
67.89120	0.5
71.01378	23.3
71.51822	0.9
72.99303	3.0
73.02943	4.6
75.00857	0.7
79.01888	1.6
83.01373	3.4
85.02949	8.3
87.00877	1.7
89.02442	15.2
93.05492	0.5
95.01398	3.9
97.02937	1.1
99.00871	2.1
99.99921	0.5
101.02444	16.5
106.48819	0.5
107.01381	4.2
107.05134	0.6
111.00883	2.9
111.39567	0.6
113.01729	0.7
113.02456	8.9
119.03497	7.0
123.00889	15.5
124.01653	0.5
125.02441	15.1
126.02744	0.7
127.00391	0.5
129.01875	0.9
131.03488	1.1
136.98759	0.9
137.02434	6.9
139.00369	7.3
140.01160	4.1
141.01891	1.9
143.61014	0.7
151.00360	13.4
151.03996	0.9
152.04807	3.1
153.01941	1.0
154.99930	0.8
159.02832	0.6
161.02426	3.0
161.04562	1.9
163.03864	0.6
168.00629	3.2
169.01421	22.8
170.01755	0.8
176.04753	1.4
179.03450	4.2
179.05577	1.1
184.03757	0.7
191.07095	1.5
194.05861	5.0
197.04572	0.8
209.08185	12.3
210.08427	0.9
212.06895	4.8
223.02538	0.6
227.09239	13.1
231.70239	0.6
241.10837	0.6
242.95979	0.9
261.42453	0.6
311.74844	0.7
313.05664	1.6
369.14227	0.6
389.10794	100.0
390.11166	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70355	1.0
55.91621	1.2
59.01369	3.8
61.98832	100.0
69.39129	9.0
71.01402	1.8
73.02967	1.3
73.85210	1.1
85.02953	1.7
89.02437	2.2
95.19178	1.1
98.19880	2.1
101.02433	2.6
115.26932	1.1
117.97952	1.1
120.91634	1.1
120.92700	1.1
126.58191	1.2
137.02484	2.4
145.53607	1.2
153.05513	1.3
167.87985	1.1
225.01863	1.2
227.09300	3.1
359.67676	1.2
389.14536	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.6
59.65243	3.7
61.98828	100.0
83.19419	3.8
84.23432	4.0
89.02454	4.1
90.38010	4.1
98.20683	8.1
99.35928	4.1
146.19240	4.6
164.91576	4.6
168.87544	4.3
184.48265	4.1
185.30946	3.4
251.20412	4.4
326.49231	3.9
372.91034	4.2
381.83496	5.2
399.50275	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03455	3.6
58.00598	3.7
59.01378	67.9
59.10010	0.4
59.17724	0.4
60.01718	0.9
61.98832	0.7
69.03458	0.6
69.35632	1.4
69.36050	2.6
71.01381	50.1
72.01728	1.3
72.99304	4.1
73.02942	7.3
74.02455	0.6
75.00865	1.2
80.80564	0.4
81.03445	0.6
83.01386	5.6
85.02947	16.5
86.03293	0.7
87.00865	2.5
89.02442	39.8
90.02801	0.4
92.86701	0.4
95.01389	3.9
95.05026	0.6
97.02967	0.8
99.00879	3.7
101.02441	36.0
102.02790	1.2
107.01414	0.6
109.02931	1.1
111.00871	1.1
113.02448	21.0
114.02813	0.6
119.03496	19.1
123.00887	1.3
123.04525	2.3
123.08179	0.9
125.02475	3.2
129.02045	0.8
131.03526	1.5
135.04520	0.5
137.02463	1.0
137.09714	1.7
137.83340	0.4
138.06842	0.6
139.00323	0.6
143.03476	2.2
149.04547	1.0
151.00392	1.1
151.04106	0.8
151.07648	0.7
152.08470	1.1
153.09206	1.9
153.12856	0.5
159.02995	1.8
161.04541	6.4
163.11267	0.7
167.03459	3.6
169.01430	1.2
179.03401	0.5
179.05643	2.1
181.12329	0.8
195.13834	1.1
197.15480	1.5
205.05203	0.4
207.13852	2.7
219.93298	0.5
225.14952	17.6
226.15312	1.6
266.06863	0.8
281.09351	2.4
315.08807	1.1
369.13214	0.7
387.13116	6.9
387.20218	100.0
388.13046	0.8
388.20511	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	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.1
57.03456	4.6
58.00598	2.6
59.01379	66.3
60.01714	0.8
61.98840	0.5
69.54482	3.3
71.01380	47.0
72.01716	1.2
72.99306	4.4
73.02943	7.6
74.02480	0.6
75.00890	0.6
81.03466	0.6
83.01385	6.4
85.02953	17.1
86.03241	0.5
87.00869	3.1
89.02443	38.4
95.01374	3.1
96.96014	0.6
97.02964	0.9
98.20584	0.9
99.00861	3.2
101.02440	33.6
109.02977	1.2
111.00896	0.8
113.01854	0.3
113.02446	16.8
119.03489	18.3
120.03830	0.5
123.00880	1.3
123.04509	2.4
125.02471	3.9
131.03539	1.3
135.04451	1.0
137.02411	1.1
137.09720	2.1
138.06877	0.9
139.00435	0.6
143.03494	2.0
147.04204	0.5
149.02483	0.5
149.04570	1.8
151.00414	0.6
151.04057	0.7
151.07603	0.8
151.11296	0.9
152.08408	0.9
153.09218	2.4
153.12849	0.9
155.10670	0.6
159.02988	1.5
161.04567	5.0
163.11304	1.0
167.03516	4.2
169.01416	1.5
179.05563	2.9
181.12349	0.6
195.13896	1.2
197.15450	1.8
207.13882	2.1
225.14946	19.6
226.15318	1.6
266.06958	1.3
281.09329	1.5
315.08673	1.3
387.13113	6.6
387.20209	100.0
388.12985	0.7
388.20511	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	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
57.03446	4.7
58.00592	3.2
59.01378	73.0
60.01720	1.1
61.98815	0.5
65.08403	0.4
69.03467	0.9
69.27018	3.5
71.01380	55.6
71.05019	0.5
72.01711	1.4
72.99305	4.0
73.02946	8.9
74.02480	0.4
75.00896	0.5
77.67306	0.4
81.03471	0.5
83.01383	6.3
84.02168	0.5
85.02948	16.6
87.00868	2.6
88.70473	0.4
89.02441	40.8
90.02748	0.8
95.01384	5.3
95.01930	0.6
97.02946	0.8
99.00874	2.6
101.02441	38.7
102.02771	0.5
109.02944	1.1
111.00903	0.8
111.04497	0.5
113.02445	23.0
114.02814	0.4
119.03497	18.8
120.03855	0.5
121.02986	0.5
121.33646	0.4
123.00865	0.7
123.04517	1.7
123.08163	0.9
123.53469	0.4
125.02444	2.4
129.01976	0.7
131.03496	1.5
135.04449	0.4
137.02394	0.5
137.09726	1.8
140.01178	0.4
143.03511	2.3
149.04498	0.6
150.03145	0.4
151.03964	0.6
151.07631	0.5
151.11246	0.7
152.08403	1.5
153.09209	1.1
153.12842	0.5
159.02991	1.4
161.04555	6.7
163.11255	0.7
165.01805	0.5
167.03519	3.5
169.01431	0.9
179.05583	2.7
181.12428	0.4
191.09181	0.4
195.13947	1.1
197.15506	2.1
207.13875	2.8
225.14951	19.8
226.15266	1.4
263.00455	0.4
266.06537	0.5
281.09274	1.1
287.73718	0.4
315.08743	1.7
369.13565	0.6
387.13187	4.4
387.20212	100.0
388.20547	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.23608	0.8
55.01880	3.3
56.37187	0.7
57.03440	3.5
58.00595	2.3
59.01377	100.0
60.01726	1.4
69.59343	2.2
69.59777	2.4
70.68685	0.7
71.01380	56.5
72.99317	3.0
73.02949	10.6
75.00881	0.6
83.01385	7.7
85.02951	19.9
86.03317	1.1
87.00885	2.7
89.02444	30.2
91.11269	0.6
93.22614	0.7
95.01376	6.1
97.02946	1.4
99.00872	5.2
99.04539	0.9
101.02441	38.9
109.02978	2.4
113.02449	24.1
113.06120	0.6
114.02800	1.3
119.03499	13.9
121.02994	0.9
123.04544	1.0
125.02443	2.2
129.01991	0.9
131.03528	1.0
143.03502	2.3
149.04553	0.8
153.01898	4.4
158.04588	1.3
159.02991	3.1
159.04744	1.1
161.02457	1.1
161.04547	16.6
162.04832	1.2
163.11288	13.8
164.11580	1.1
168.04289	1.4
176.04800	1.4
179.05663	1.7
191.07130	1.8
207.10350	2.3
207.13931	1.9
225.11317	1.2
225.14984	2.0
250.00842	0.7
270.84790	0.7
387.12961	4.2
387.16602	63.3
388.16827	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	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.95306	0.6
58.00588	1.0
58.39750	0.6
59.01380	80.3
60.01703	1.1
70.50452	2.1
70.50818	0.7
71.01377	16.4
72.01715	1.0
72.99308	1.0
83.05063	0.6
85.02959	3.0
87.00840	0.9
89.02442	16.0
89.81790	0.7
95.01392	1.0
96.96978	1.5
98.20574	0.9
101.02430	8.9
106.04237	0.6
113.02441	5.8
119.03465	4.9
121.71628	0.6
123.81376	0.6
125.67610	0.6
147.08359	0.7
161.04552	0.8
163.11287	48.9
164.11574	3.2
207.10294	1.4
209.11789	0.7
294.22879	0.6
325.07394	0.7
387.16592	100.0
388.16953	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	387.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42079	0.6
57.23530	0.6
58.00587	0.9
59.01379	78.1
59.96856	0.6
60.01700	0.8
69.80334	1.8
69.80726	1.3
71.01378	15.9
72.99283	0.6
75.16882	0.6
77.76070	0.6
78.95898	3.7
82.80884	0.6
83.01354	0.7
85.02962	3.3
89.02448	15.2
95.01382	1.7
96.96023	1.2
96.96958	9.2
98.19917	0.7
101.02448	10.3
113.02444	5.9
119.03518	5.6
151.28079	0.6
163.11307	5.1
177.78168	0.8
207.10237	14.0
208.10646	1.2
289.07162	1.1
290.20187	0.6
374.31058	0.6
387.16589	100.0
388.16928	12.6
397.32156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
67.99832	1.0
70.82336	1.7
70.82706	2.0
81.03443	2.6
83.01391	3.6
88.42374	0.9
90.63367	0.8
93.03447	1.8
95.05025	3.9
97.02924	8.2
101.30163	0.8
104.95721	0.9
108.02211	0.8
109.02220	1.9
109.02948	30.7
114.08621	0.9
115.96568	0.8
121.02938	3.9
122.03747	1.2
123.04526	21.4
125.02444	17.0
135.04539	3.2
135.08113	1.0
137.02454	11.3
139.04034	4.5
141.61075	0.9
145.02959	2.6
146.03716	1.7
149.02454	6.5
150.03220	1.3
151.04010	9.5
159.04500	3.3
160.05284	1.1
161.02367	1.4
161.06107	6.5
162.03262	1.5
163.03992	1.9
164.01114	3.9
165.01949	4.2
167.03473	1.5
174.03247	1.0
175.04007	3.3
175.07570	2.2
177.05589	1.3
179.03519	6.7
179.07071	2.1
185.06120	2.1
187.04086	6.2
188.04721	4.4
191.07164	1.4
201.05579	1.2
202.06346	2.7
203.07133	18.5
204.07448	1.5
205.05054	13.1
212.04816	1.0
221.08170	3.4
227.07135	3.2
230.05872	0.9
245.08180	21.8
246.08467	1.9
247.06111	2.3
252.09473	1.0
289.07184	100.0
290.07544	9.8
299.12939	1.8
325.14493	1.0
333.12503	0.8
343.11835	12.9
344.12152	0.9
369.13516	1.0
387.14478	40.6
388.14957	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	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.4
59.01403	0.6
59.91537	0.6
69.03451	0.8
69.58532	3.7
81.03448	2.8
81.34838	0.6
83.01375	4.1
91.13840	0.7
93.00397	0.7
93.03446	1.4
94.87810	0.7
95.01437	0.8
95.05021	3.7
97.02940	9.6
99.04536	0.7
107.05042	1.2
108.02184	1.0
109.02946	27.5
110.03275	2.2
121.02946	3.2
122.03741	1.3
123.03615	1.2
123.04528	19.9
124.04884	0.7
125.02444	17.9
135.04558	3.2
137.02441	11.0
138.03233	1.3
139.04030	4.4
145.02904	1.6
146.03722	2.0
147.04546	1.1
149.02423	7.2
150.03229	1.2
151.04008	11.3
151.43613	0.7
159.04443	3.7
159.08073	0.7
160.05278	1.5
161.02412	1.9
161.06084	6.4
162.03207	1.9
163.03923	2.1
164.01161	3.8
165.01923	4.5
166.02484	0.6
167.03479	2.4
175.03970	2.4
175.07593	2.7
177.05568	1.4
179.03487	8.3
179.07095	3.1
180.03853	0.7
185.05910	1.2
187.04013	5.7
188.04814	4.9
191.07147	2.3
199.07680	0.9
201.05544	0.8
202.06326	2.4
203.07118	19.0
204.07417	1.9
205.05051	14.0
206.05348	1.0
212.04742	1.3
219.06734	0.9
221.08257	4.6
224.37137	0.7
227.07120	3.1
230.05807	1.3
231.02972	1.6
233.08096	1.0
245.08147	20.9
246.08482	1.5
247.06087	1.8
281.11929	0.7
289.07166	100.0
290.07501	10.1
299.12778	2.2
325.14362	0.8
343.11865	13.2
343.15573	1.4
344.12103	1.9
369.13266	0.9
387.14471	42.5
388.14816	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	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
54.65794	1.0
57.03448	1.2
57.24781	1.0
59.01374	2.8
61.98838	1.4
71.33810	2.2
74.30657	0.9
81.03490	0.9
83.01389	1.9
91.04010	2.2
97.02953	1.2
109.02934	2.4
121.02947	2.7
122.03764	2.3
125.02435	4.7
136.05209	1.4
137.02446	17.1
139.03981	1.0
150.03252	8.1
161.02440	1.4
164.01147	1.6
165.01927	9.1
167.14386	2.7
175.03992	1.1
177.02089	1.1
179.03471	2.9
187.07645	1.0
193.15929	1.9
200.83760	1.1
207.17497	1.2
223.04132	1.1
223.20711	2.3
231.17336	1.4
249.18604	7.1
267.19644	100.0
268.19968	8.7
275.16513	11.4
276.92154	1.0
287.05585	1.8
288.06171	1.7
293.17584	68.4
294.17941	5.9
311.18610	12.1
312.18875	1.9
367.11743	1.7
367.21237	6.9
385.12964	4.6
385.22305	55.6
386.13315	1.3
386.22552	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	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.5
59.01378	100.0
60.01707	1.4
68.02703	1.0
69.03439	1.3
73.02943	1.2
83.01386	3.3
93.03502	1.4
97.02907	1.8
97.95515	1.1
104.26745	1.0
107.04987	1.3
109.02942	3.2
121.02970	2.1
122.03718	1.3
123.04507	1.0
125.02440	14.6
127.69659	0.9
137.02438	30.3
138.02753	1.3
146.03732	4.6
147.04381	1.0
149.02425	2.0
150.03223	8.2
151.04028	1.6
159.04482	1.2
163.07672	1.0
164.01117	4.3
165.01927	17.5
166.02164	1.3
167.03484	3.3
168.03896	0.9
172.05295	2.2
173.06068	2.0
174.03235	2.4
174.06735	1.2
175.03964	1.3
175.07631	8.0
177.01938	2.0
177.09155	1.0
179.03513	3.9
187.04114	1.2
187.07637	1.6
188.04779	1.7
200.04781	1.4
201.05542	1.7
201.09212	5.7
203.07158	5.4
205.08609	1.6
217.08665	2.4
218.05957	1.3
229.08685	4.8
247.09718	7.0
255.10184	1.1
263.98416	1.1
283.09769	1.4
299.12900	1.7
323.12833	3.9
367.11761	8.1
385.12958	15.2
386.13242	3.1
402.03647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
55.01878	2.7
56.20572	0.7
57.03444	4.4
58.00571	1.9
59.01379	56.8
60.01711	1.3
61.98829	1.8
69.03477	1.0
69.57146	4.3
69.57552	1.6
71.01382	68.3
72.01718	1.6
72.99311	3.2
73.02947	13.4
75.00849	1.9
81.03413	1.3
83.01376	6.8
83.05013	1.5
84.02174	1.5
85.02950	26.0
87.00872	3.1
89.02444	32.9
93.03478	1.1
95.01385	5.8
95.05038	2.3
97.02941	8.7
99.00864	4.9
100.82750	0.8
101.02444	30.9
101.03113	1.9
105.90283	0.8
107.05037	1.0
108.05808	2.4
109.02966	5.1
109.06609	1.5
111.00879	1.8
111.04533	1.4
113.02452	25.4
113.06083	2.5
113.44656	0.8
114.02757	1.0
114.05589	1.5
115.00389	1.1
119.03505	11.3
120.02865	0.8
122.03761	2.7
123.04612	1.7
123.08161	4.9
124.08524	0.9
125.02471	4.9
125.06098	2.5
129.01945	2.0
131.03479	1.0
134.03752	1.7
135.04535	1.1
135.08174	0.9
136.05312	4.0
137.02464	4.4
137.06108	1.7
138.06882	23.4
139.07681	10.2
140.08022	1.0
143.03511	3.3
146.03709	1.3
149.02438	1.1
149.06116	1.2
150.03101	1.1
151.04018	1.3
151.07645	23.1
152.04799	2.2
152.08438	44.0
152.09691	2.1
153.09218	100.0
154.09557	7.2
158.04587	3.0
159.03038	4.8
161.02484	1.2
161.04568	18.5
163.00351	2.2
163.11272	4.5
164.01152	1.5
165.01913	2.6
165.09222	2.2
167.07088	1.8
174.01707	5.4
175.03859	0.9
175.07712	0.9
177.05576	1.1
179.03508	1.6
179.05579	2.8
187.07761	0.9
189.09370	0.8
190.09975	1.2
190.99921	1.4
193.05107	1.6
204.07651	0.9
205.03452	1.8
205.05226	1.0
205.12332	31.6
206.12657	3.4
223.04584	4.5
223.13377	13.6
229.08701	1.0
295.08249	1.1
323.12970	0.9
325.09262	1.8
333.93930	0.7
353.02963	1.0
367.11404	0.8
385.11459	7.3
385.15097	3.9
385.19022	4.5
386.11319	1.3
386.18890	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71962	0.8
52.85412	0.9
57.03432	2.2
69.03442	2.9
69.16610	8.4
75.56470	0.9
77.03957	1.2
83.00919	0.9
83.01388	10.2
84.11365	0.8
89.97050	0.7
90.24216	0.7
93.03435	3.7
97.02952	2.8
101.52097	0.8
107.05048	1.1
109.02958	9.2
113.55080	0.7
120.30835	0.8
121.02922	4.8
122.03735	15.7
124.01659	2.3
125.02448	15.0
137.02440	100.0
138.03224	4.8
139.03999	1.3
149.02452	3.9
150.03209	8.9
151.03966	1.9
154.02673	2.9
156.20102	0.9
159.04521	2.1
161.02434	2.4
164.01152	9.4
165.01921	86.6
166.02359	4.8
167.03543	1.1
173.06064	1.4
175.03984	1.6
179.03462	9.3
183.04565	0.8
186.02919	0.8
201.05493	3.4
201.09161	1.0
202.06297	1.4
219.06609	1.0
225.05563	1.3
226.06308	1.0
241.05078	1.4
243.06514	1.9
244.07411	0.9
259.06012	1.0
269.04510	3.0
270.05273	1.6
287.05673	5.4
288.06400	26.7
289.06720	2.6
367.11707	2.3
385.12930	18.7
386.13104	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76239	1.3
57.03440	6.1
69.03471	1.3
69.57475	4.1
69.57902	3.3
77.03942	3.0
81.03459	2.8
81.13882	1.2
83.01389	9.8
93.03450	3.2
95.01360	1.5
95.05038	2.8
97.02940	6.5
99.04530	1.5
107.04987	1.8
109.02944	12.6
121.02969	8.7
122.03711	2.2
123.04508	4.1
124.01637	1.5
125.02444	30.8
135.04460	1.2
137.02440	100.0
138.02803	3.7
146.03757	6.8
147.04535	1.7
149.02415	4.0
150.03229	16.6
151.03975	4.0
159.04488	2.0
161.02440	4.1
162.03206	4.4
164.01144	16.0
165.01923	100.0
166.02319	4.2
167.03438	5.5
172.05321	10.2
173.05986	3.7
173.09615	1.4
174.03217	5.0
174.06821	1.5
175.03986	7.0
175.07635	10.3
176.04683	1.3
176.08008	1.2
177.01979	1.7
177.09120	1.5
179.03511	8.2
185.06017	2.8
186.06770	1.9
187.04047	2.6
187.07649	4.6
188.04784	2.8
189.05525	1.5
189.09219	2.3
190.02740	1.6
191.07014	1.3
199.07631	3.3
200.04794	5.8
201.05402	1.7
201.09216	22.0
202.09637	1.7
203.07127	7.9
204.07828	1.5
205.08617	3.5
214.06303	1.6
217.08665	12.9
218.05786	2.9
218.09457	5.8
219.10257	18.0
220.10533	1.6
229.08676	12.6
239.06926	1.4
239.10869	1.4
241.04956	1.5
241.08673	1.6
244.07449	1.3
247.09737	21.3
248.09978	2.6
255.10306	2.4
259.09741	2.5
270.09036	1.4
279.10486	1.6
280.10919	1.3
281.11798	3.9
283.09814	2.5
288.06390	2.6
299.12820	4.6
304.32178	1.2
323.12823	8.2
341.13965	3.2
349.10623	2.7
367.11810	20.1
368.12189	3.4
385.12891	39.6
385.82303	1.2
386.13174	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	385.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.0
63.58293	1.4
69.03452	2.9
69.48768	11.1
69.49131	2.0
69.79779	1.5
77.04005	2.4
81.03450	7.7
83.01382	9.9
83.24249	1.4
93.03472	3.2
95.01397	2.0
95.05029	5.0
97.02934	7.9
99.04506	6.4
100.54955	1.6
107.05017	1.9
109.02943	5.5
121.02961	6.2
121.58696	1.7
122.03751	7.5
123.04526	3.3
124.01649	2.7
125.01517	3.3
125.02441	64.2
126.02787	2.1
135.04541	4.4
137.02435	100.0
138.02863	2.4
139.04008	2.8
146.03706	14.6
147.04344	2.6
149.02466	2.2
149.06079	2.0
150.03204	4.9
151.03999	6.5
159.04497	5.7
160.05252	1.8
161.06029	3.2
164.01141	24.7
165.01921	62.8
166.02306	2.8
167.03488	32.5
172.05260	5.5
173.06084	12.0
174.03197	11.7
174.06799	6.1
175.03989	6.0
175.07640	35.7
176.04756	9.0
176.07921	2.0
177.01932	9.7
177.09122	2.3
179.03526	18.3
186.06734	2.9
187.04002	3.2
187.07643	12.6
188.04668	2.4
188.08131	1.9
189.09169	4.2
190.02728	4.9
199.07542	2.1
200.04764	8.1
200.08496	1.6
201.05536	5.2
201.09193	8.3
203.07173	18.1
204.04152	2.9
204.07664	2.3
205.08617	6.9
210.06868	1.7
211.03914	3.4
212.04698	2.9
213.05539	2.0
216.07758	2.4
217.08647	15.9
225.05511	3.4
226.06314	4.0
227.07140	2.8
229.08675	34.3
230.09010	3.4
239.07188	2.3
239.10864	2.7
241.08611	4.3
247.09714	12.9
247.51878	1.8
251.07051	2.1
255.10179	6.4
257.11792	3.4
265.08701	1.5
268.07465	2.2
273.11377	2.1
281.12061	7.9
283.09711	5.5
288.06354	2.6
294.09030	5.1
297.11365	7.1
299.12814	9.1
301.10922	1.9
323.12875	31.6
324.13229	3.9
341.10254	3.6
341.13904	5.1
367.11862	67.8
368.12271	10.1
385.12927	37.8
386.13327	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	385.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72749	1.4
55.88931	1.5
57.03450	9.6
64.92342	1.5
67.01892	2.1
69.03446	3.3
69.57395	6.2
70.05157	1.4
81.03448	5.5
83.01390	12.5
93.03444	5.7
94.90153	1.5
95.05026	4.4
97.02957	7.2
98.19867	1.8
99.04500	3.7
104.23902	1.5
107.05038	1.6
109.02926	10.5
111.65434	1.5
121.02939	6.0
122.03728	6.9
123.04510	5.0
124.01708	1.6
125.02441	55.8
126.02788	2.2
135.04521	3.8
137.02441	100.0
138.02907	3.5
139.04012	2.6
141.47630	1.6
146.03732	18.4
147.04413	2.3
148.05257	2.3
149.06033	2.6
150.03200	9.8
151.03957	5.7
157.06554	2.0
159.04498	6.5
160.05217	2.1
161.02438	1.3
163.03990	2.2
164.01138	25.1
165.01921	70.0
166.02325	2.8
167.03477	23.7
172.05254	3.1
173.06053	9.3
174.03197	10.9
174.06770	4.3
175.03938	5.0
175.07637	36.4
176.04750	6.0
176.07915	1.6
177.01898	10.5
177.09177	1.5
179.03464	18.6
181.04979	2.4
186.06876	1.9
187.03969	2.3
187.07642	8.7
188.04726	3.6
189.05577	2.4
189.09196	4.6
190.02667	4.6
191.03429	1.7
197.05914	2.3
200.04761	6.7
201.05478	4.5
201.09264	7.6
202.06227	3.0
203.07095	15.2
204.04259	3.6
205.08681	9.2
215.07004	2.5
217.08710	11.4
219.10205	2.5
225.05547	4.2
226.06343	3.7
229.08670	28.8
230.09041	2.9
239.07076	1.9
239.10672	4.1
241.08667	5.7
247.09738	18.6
248.10172	1.8
252.07816	3.2
255.10228	5.0
257.11832	4.1
265.08594	2.6
268.07312	4.5
270.08948	2.4
279.10339	2.2
281.11823	6.4
283.09769	4.4
288.06427	3.3
294.08994	3.3
297.11215	4.8
298.11841	1.7
299.12961	8.9
323.12845	20.0
324.13123	1.9
325.10812	2.4
341.10242	3.3
341.13937	4.9
349.10745	2.8
367.11826	50.1
368.12112	8.8
371.35822	1.7
385.12881	39.3
385.17670	3.0
386.13165	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89630	0.8
55.01874	2.6
57.03449	8.9
59.01382	4.8
70.21397	3.2
71.01372	5.6
71.50179	0.9
72.33441	0.8
72.99291	2.9
73.02958	1.9
75.00863	2.1
83.01392	5.8
83.55724	0.8
84.02174	1.2
85.02947	56.9
86.03267	1.0
87.00864	2.8
101.02429	7.0
103.04034	1.0
111.00156	1.5
111.00878	22.3
129.01942	24.9
135.04472	2.3
143.03497	0.9
147.02995	4.1
161.04584	1.8
174.01700	6.9
179.03447	1.2
191.01953	3.6
205.03526	26.6
206.03867	1.7
209.02966	5.1
223.04579	100.0
224.04932	5.2
305.72586	0.8
325.09360	1.2
325.82684	0.8
327.17996	0.9
385.11353	6.8
386.11600	1.7
390.19324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
57.03454	11.6
59.01369	9.6
69.46284	2.1
69.73360	12.8
71.01384	6.7
73.02944	2.1
75.00860	2.4
79.27495	2.0
83.01381	4.5
84.02189	3.0
85.02947	73.8
86.03272	4.1
98.20568	3.1
101.02420	5.7
105.22100	2.0
111.00884	20.9
115.00327	2.7
115.41615	2.4
116.79851	2.0
119.05023	65.2
121.14659	2.1
129.01962	15.4
142.06798	2.2
147.02997	6.1
163.04008	73.3
163.41057	2.0
164.04250	3.4
174.01634	3.1
182.78633	2.1
191.01971	8.0
205.03502	18.6
206.03905	2.8
209.02989	11.2
223.04579	100.0
224.04910	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Axitinib
Peak:m/z	Relative Intensity
59.01378	5.7
60.50144	1.9
69.56008	3.5
69.56412	8.2
71.01376	4.9
72.99281	3.1
73.02917	3.6
75.00854	3.9
83.01391	1.7
84.02204	1.7
85.02949	14.1
87.00866	7.6
98.03432	2.0
99.00895	1.9
115.00383	11.1
147.03070	2.3
160.30251	2.1
163.04028	2.4
174.01698	89.5
175.02481	9.4
205.03587	2.6
209.08076	4.1
223.04555	6.6
239.09149	2.7
267.08734	4.4
295.08051	9.6
325.09262	15.8
385.11383	100.0
386.11670	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23255	1.3
57.03429	1.7
57.79336	1.3
58.00587	2.4
59.01374	16.0
61.98826	2.3
71.01366	2.5
71.51617	2.7
73.02941	2.4
74.16642	1.5
74.54523	1.4
80.96513	1.6
89.02428	5.6
91.04018	23.5
97.02934	2.2
111.08167	40.2
112.08485	2.6
113.02449	2.4
125.02476	3.0
137.02449	3.3
139.11308	1.7
163.11195	1.6
165.01865	2.7
165.12839	3.3
169.12334	9.8
171.10234	2.6
181.12306	1.7
193.42288	1.4
197.11829	100.0
198.12178	8.7
199.13448	6.2
205.08615	2.8
209.11758	2.3
211.13361	10.9
227.12921	9.1
228.57639	1.5
247.20650	2.7
263.20139	8.9
265.17981	3.9
273.18628	1.9
281.12766	1.6
291.19687	55.4
292.20041	5.3
295.95374	1.5
309.20715	94.3
310.21024	11.2
323.09415	1.5
365.10489	2.5
383.11386	2.6
383.24359	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	384.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16583	1.8
52.57044	1.8
59.01401	1.8
61.98829	100.0
67.41052	1.7
69.85526	8.6
84.61552	1.6
98.19931	2.4
125.59113	1.6
127.45682	1.9
276.13666	1.9
384.23337	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62335	0.9
55.01878	1.6
57.03450	9.4
59.01383	3.3
60.00874	1.0
68.99800	1.2
69.49555	3.0
69.49981	4.6
71.01373	5.1
72.99330	1.1
73.02941	2.1
75.00868	2.2
83.01395	5.7
83.01817	1.0
84.02168	1.8
85.02950	53.0
87.00858	1.6
101.02439	5.3
103.00389	1.0
111.00879	22.0
119.05025	4.8
129.01938	15.4
130.02213	1.0
135.04561	2.8
147.02966	5.0
161.04506	1.2
163.03984	3.8
179.03546	1.2
187.02539	2.2
191.01990	2.3
205.03526	24.3
206.03772	1.5
209.02960	2.4
212.96504	1.0
223.04576	100.0
224.04880	4.8
257.21750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.4
58.00566	1.4
59.01381	9.3
60.64847	1.4
61.98822	1.6
69.03457	2.3
71.01384	3.2
76.46192	1.3
77.09146	1.4
81.03465	2.0
89.02448	4.1
91.03998	13.7
97.02950	3.6
97.06590	1.7
111.08163	28.4
119.08678	1.2
125.02460	5.2
129.01796	1.3
137.02469	6.5
137.09740	3.0
138.00040	1.5
146.17331	1.5
161.02399	2.2
163.11252	1.7
165.01892	3.9
165.12866	3.1
167.03581	1.7
169.12369	4.6
171.10272	4.8
175.07671	2.7
179.10759	2.0
183.13905	1.8
195.78600	1.2
197.11818	61.9
198.12109	3.9
199.13431	4.3
202.06311	1.5
203.65797	1.4
209.11772	4.0
211.13412	4.1
213.08534	1.5
215.07153	2.5
217.08661	2.7
227.12892	10.3
247.20596	2.1
263.20117	4.8
265.18088	3.0
273.18793	2.4
291.16281	1.8
291.19626	50.1
292.20129	6.4
309.20691	100.0
310.21054	12.9
383.11377	4.5
383.24179	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.4
61.98830	1.2
71.01374	2.3
89.02426	2.5
91.03995	2.4
94.76867	1.1
97.06570	1.3
98.19824	2.0
101.02424	2.0
108.98316	1.1
111.08148	1.2
113.02405	1.6
113.09737	2.0
117.05564	1.3
125.02455	2.0
125.05969	1.5
130.58406	1.1
137.02383	1.6
139.11211	1.2
141.09149	1.4
162.92542	2.3
165.01941	1.8
165.12842	2.6
167.14391	2.3
181.12350	3.7
183.13811	1.5
195.13899	3.1
197.11852	3.0
205.08672	1.5
211.13364	3.2
221.15439	2.7
229.50290	1.1
231.17502	1.1
247.20580	4.5
273.18634	2.5
281.21268	1.5
291.19659	38.5
292.19986	5.4
306.40973	1.3
309.20706	100.0
310.21033	14.2
314.17361	1.9
341.10861	1.6
383.11526	1.4
383.24261	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
57.03436	4.1
58.00586	2.4
59.01378	37.0
59.03933	0.9
61.98830	1.4
68.16152	1.0
69.03439	1.2
69.68937	5.6
71.01378	44.5
72.99300	3.9
73.02946	30.2
75.00869	1.8
81.03447	1.3
83.01395	12.6
83.05006	1.8
84.02154	1.1
85.02950	24.1
86.00093	1.7
87.00861	2.0
89.02439	9.8
89.34602	1.0
95.01376	2.9
97.02937	2.3
99.00890	12.4
101.02441	52.2
102.02772	1.6
111.00865	2.7
111.04468	1.8
113.02445	19.6
124.00771	1.5
125.02434	2.1
127.03999	2.5
129.01920	1.1
131.03450	2.1
141.01985	1.1
143.03528	1.5
155.03484	2.5
159.02959	3.9
161.04539	18.1
213.17735	1.1
217.03485	3.4
249.13417	89.7
250.13762	4.9
306.40021	1.0
367.89105	1.1
381.17609	100.0
382.18060	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	382.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55029	1.1
52.01892	2.6
53.58249	0.8
59.01378	1.6
61.98806	0.8
70.50626	1.9
70.50955	1.7
71.67908	0.8
72.97248	1.3
76.71253	1.0
87.00887	2.4
87.99596	100.0
88.99940	1.3
89.96067	0.8
143.03816	85.9
144.04129	2.9
155.08813	0.9
164.76828	0.9
187.02794	41.5
188.03110	2.4
250.89603	0.8
341.41159	0.9
382.13358	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	381.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01383	1.6
61.98826	1.2
65.00309	1.8
66.37052	1.0
71.35039	1.2
78.95904	5.5
79.95738	1.0
80.52945	0.8
80.96507	1.2
83.01383	1.3
83.04988	1.0
85.06573	3.8
93.03448	1.5
96.96015	3.3
102.05594	1.3
107.01374	1.8
107.36153	0.9
113.06094	27.1
114.06396	1.1
117.03446	0.9
119.04964	1.3
121.02953	10.3
124.00703	1.5
125.02433	3.7
127.04010	1.6
129.05582	18.5
135.04521	2.2
137.02414	1.5
147.04507	3.4
149.02441	57.0
150.02768	3.8
151.00352	4.6
152.01039	1.1
152.99551	3.3
153.62801	0.8
155.03442	1.7
157.05063	100.0
158.05426	4.8
163.03986	1.8
164.04799	35.5
165.01949	4.8
165.05119	2.0
175.06097	5.3
177.01958	2.1
179.07117	2.8
187.03851	1.4
193.01390	3.8
199.02412	1.5
200.04797	1.8
208.03802	6.4
215.07249	2.1
217.03482	1.4
223.06110	66.7
224.06474	5.0
229.08653	3.4
285.02835	1.2
310.68768	0.9
381.09698	9.2
382.09723	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.0
57.03440	3.2
57.37729	0.9
58.00598	1.5
59.01376	36.3
61.98817	1.0
69.03460	1.7
69.21180	9.2
71.01378	51.0
72.01712	1.2
72.99310	3.7
73.02943	31.5
75.00871	1.2
83.01388	14.7
83.05033	1.6
85.02950	28.7
86.00108	2.0
86.68688	0.8
87.00878	3.0
88.02564	1.0
89.02431	10.6
95.01382	3.3
96.57877	0.9
96.95966	1.3
97.02954	3.4
99.00879	11.4
99.04445	1.0
101.02438	57.6
102.02799	2.1
111.00865	3.1
111.04531	3.0
111.66995	0.9
113.02454	20.0
113.40623	1.0
119.03519	1.2
124.00771	1.9
125.02450	2.3
127.04027	5.6
129.01927	1.5
131.03455	1.8
134.03629	1.1
143.03494	2.8
155.03465	3.7
159.02968	3.9
161.03224	1.9
161.04544	20.2
199.02426	1.8
217.03525	3.3
249.13417	93.9
250.13760	7.9
260.19495	1.0
318.52740	0.9
352.05777	0.9
358.41812	1.0
381.17630	100.0
382.17883	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	381.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.2
59.27282	1.5
64.85300	1.7
67.26689	1.7
71.05000	3.1
71.26967	2.4
71.27320	2.1
72.99304	36.8
81.03490	9.0
83.05025	63.9
93.03442	4.2
94.56378	1.8
95.42329	1.5
97.02896	1.8
109.02929	3.1
111.04520	51.4
112.04871	2.4
115.04013	22.9
119.05009	5.7
127.04015	100.0
128.04340	2.4
129.05560	8.1
137.02406	7.6
155.03499	89.7
156.03824	3.0
163.04012	3.9
168.80281	2.0
171.02939	4.2
173.04630	1.9
189.04044	3.6
199.02467	56.3
200.02803	3.2
206.22270	2.2
217.03517	77.1
218.03841	6.6
219.36932	1.8
235.04454	7.5
267.47809	2.1
382.06259	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	2.6
69.85621	10.7
71.05012	4.1
72.99307	40.6
80.98831	2.3
81.03459	10.4
81.17872	1.7
83.05029	56.2
93.03465	2.9
98.20596	2.9
111.04520	44.2
115.04010	21.7
119.05013	6.8
121.61819	1.8
127.04014	100.0
128.04338	4.8
129.05568	10.4
137.02429	3.6
150.50697	1.9
155.03500	92.7
156.03824	4.1
171.02942	4.4
181.77707	2.0
189.04041	4.2
199.02492	61.1
200.02806	4.2
217.03520	84.3
218.03835	6.0
219.12129	2.1
235.04506	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	381.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01205	2.4
59.01369	11.8
61.98833	6.6
69.27068	20.2
71.01348	2.7
71.05016	4.5
72.99305	44.3
80.71802	2.1
81.03448	8.5
83.05024	60.1
85.02924	4.7
87.00949	2.3
89.02454	3.0
93.03464	3.4
96.95988	9.5
101.02449	5.2
109.02917	4.6
111.04514	42.3
112.04861	3.6
113.06090	3.7
115.04014	22.8
119.05033	3.4
122.61768	2.2
124.00755	4.9
127.04010	97.4
128.04350	2.6
129.05560	10.7
137.02438	8.1
139.98367	2.6
155.03500	83.2
156.03810	4.7
163.03889	3.3
171.02972	4.8
189.04010	5.7
199.02466	58.0
199.04181	5.5
200.02805	3.1
201.04012	17.3
201.05600	6.6
217.03516	100.0
218.03842	7.1
219.05038	9.1
235.04543	16.5
262.09723	2.5
381.12036	7.2
382.18536	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	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01093	2.5
52.33268	2.6
52.84364	2.6
53.48702	2.9
67.94288	2.7
71.19239	6.1
72.99311	39.1
77.54948	2.5
81.03456	9.6
83.05026	61.3
90.20220	2.7
111.04519	45.0
115.04017	27.6
118.86719	3.2
119.05067	3.5
127.04015	100.0
128.04370	3.9
129.05559	9.7
137.02444	5.8
146.82001	3.3
155.03508	92.8
156.03819	7.7
163.04045	2.8
167.12933	3.4
171.02921	3.2
177.41435	2.8
189.03952	4.7
199.02498	66.1
200.02811	4.5
217.03528	83.6
218.03810	3.6
235.04520	11.6
312.03586	2.5
354.06476	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	380.1561
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
54.70867	0.6
59.01382	17.9
61.98812	1.2
66.92083	0.6
70.88174	1.9
71.01380	36.0
71.05016	7.8
72.99302	8.3
73.02933	1.8
81.03451	2.7
83.01356	1.7
83.05013	11.0
85.02945	4.4
88.04039	5.1
89.02449	8.8
93.03429	1.2
95.01400	0.9
99.00878	0.6
99.04513	2.6
101.02438	9.6
109.02948	1.1
111.04521	11.3
113.02467	4.9
115.04041	4.1
116.03524	1.7
116.07144	0.9
119.03480	2.8
119.04996	1.1
127.04007	21.0
128.04402	0.9
128.07191	3.1
129.05569	2.5
137.02492	1.2
144.49654	0.6
146.08228	62.8
147.08577	1.8
155.02251	1.2
155.03491	18.2
155.04753	1.2
156.03824	1.7
161.04555	1.8
171.02852	0.8
186.37892	0.7
199.02478	12.6
200.02850	1.6
200.09256	1.0
217.03520	19.6
218.03850	2.0
235.04512	4.5
236.78546	0.7
263.11414	1.0
308.13513	7.1
362.14584	3.0
380.15594	100.0
381.15906	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	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	1.8
57.03430	1.4
58.00583	2.2
59.01379	74.7
69.03450	8.8
70.26767	2.4
70.27142	3.6
71.01379	37.3
72.99286	3.9
73.02934	5.1
75.00864	1.9
83.01376	2.9
83.05022	6.4
85.02958	9.1
87.00861	2.2
89.02440	41.9
90.02769	1.2
95.01399	3.3
99.00887	17.9
101.02432	22.0
111.04512	4.4
113.02460	15.6
119.03490	14.8
122.91652	1.3
127.04005	7.4
128.04335	1.1
131.03503	3.4
135.04491	4.7
137.02438	1.4
137.09721	9.0
143.03490	1.5
149.04579	7.8
149.15253	1.2
153.09288	1.1
155.03531	6.9
155.10774	31.7
156.11154	2.1
161.04544	4.8
179.03445	2.2
179.05571	2.9
181.08673	5.0
185.00928	4.9
186.97635	1.1
191.05611	8.2
199.02525	6.2
199.09749	52.1
200.10085	4.9
217.03519	9.4
217.10791	4.6
319.14063	1.9
327.62607	1.1
359.75681	1.2
379.16031	100.0
379.22940	7.0
380.16400	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	379.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.7
59.01376	51.2
60.99302	9.3
61.21781	4.5
61.78122	4.4
61.78487	4.5
69.03454	100.0
71.01379	31.3
71.50595	9.1
73.02936	11.3
75.00865	22.3
75.38908	4.7
83.05024	8.1
83.61189	4.6
85.02947	8.9
87.00785	4.7
88.98798	26.0
89.02425	18.0
91.67163	5.7
95.01379	10.7
96.96006	6.4
97.02940	22.5
99.00876	34.2
101.02463	25.0
102.41296	5.4
110.87645	5.5
111.04501	20.1
113.02424	23.4
119.03445	9.2
123.00858	7.5
127.04014	30.8
128.03575	7.2
129.48868	5.4
134.03702	12.6
135.04527	26.2
141.01933	9.8
155.03505	23.0
155.10789	10.5
161.04520	9.6
166.99811	7.4
169.99324	5.9
179.03465	13.6
181.08698	12.9
183.95123	4.9
185.00868	40.9
193.05026	7.6
199.02481	23.0
199.09680	9.8
203.02122	6.3
203.07082	6.3
217.03433	31.5
217.10820	16.3
218.04048	4.6
247.11847	18.4
261.48096	5.8
285.17303	6.6
335.18411	6.5
341.11469	5.6
374.83279	5.4
379.06296	6.8
379.15463	38.7
379.19897	33.9
379.23529	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	378.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98830	100.0
69.57399	4.3
71.01373	1.2
83.05026	1.1
83.91158	0.7
98.26865	0.6
111.04541	1.6
123.04542	0.7
127.04032	4.4
135.04543	2.0
137.02522	0.7
137.96172	0.6
141.95953	0.6
155.03513	3.3
179.03548	0.7
199.02480	3.7
217.03471	3.4
238.56699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
70.55296	3.7
72.36295	1.3
72.99294	9.0
81.03455	8.0
82.42635	1.4
83.05030	16.3
93.03452	4.8
109.02948	3.5
111.04521	40.9
112.04829	2.5
115.04012	6.7
119.24207	1.4
127.04015	82.8
128.04350	2.8
129.05563	3.9
133.14131	1.2
135.04517	15.0
137.02455	5.0
147.94267	1.5
155.03497	75.1
156.03857	3.5
163.80185	1.3
175.41740	1.6
179.03474	5.4
199.02473	70.2
200.02834	3.3
217.03526	100.0
218.03802	6.5
250.21992	1.3
250.24863	1.4
379.15921	2.3
380.62253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09651	0.6
55.01877	5.9
59.01372	2.7
65.55068	0.6
67.01878	1.1
67.39127	0.6
68.26189	0.6
69.03455	100.0
69.26595	5.0
70.03793	1.4
71.01374	1.9
72.99306	2.0
73.02943	0.6
79.01886	5.3
85.02952	2.3
95.01400	3.7
97.02949	19.9
98.19932	1.4
99.00877	27.0
100.01198	0.7
107.48328	0.7
117.03434	0.9
123.00867	1.5
123.04572	1.0
127.04035	1.6
131.18445	0.6
132.03043	0.9
134.03749	7.3
135.04494	2.1
141.01936	10.1
155.03462	1.3
155.58714	0.6
179.03508	1.6
185.00909	41.9
186.01259	1.8
193.05005	5.5
194.05324	0.7
199.02515	0.8
203.01990	1.6
217.03592	1.8
282.15112	0.6
347.11484	0.8
378.25763	0.9
379.06769	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	20.5
58.40480	0.3
59.01365	1.5
67.80855	0.4
69.03452	2.8
69.51037	1.3
69.51472	1.2
71.01374	1.7
71.05011	1.3
73.02943	14.5
80.24423	0.4
80.62660	0.4
81.03458	0.4
81.07077	1.5
83.05006	2.9
85.02952	0.9
85.06580	6.1
87.04517	2.8
88.04052	1.0
89.02419	0.4
97.06599	3.5
98.19884	0.6
99.04580	0.5
101.02457	0.5
101.06086	1.2
113.09670	0.5
114.01915	0.4
115.00314	0.6
115.07625	1.1
123.08135	0.9
125.02374	0.5
125.06084	0.5
125.09733	0.6
127.07631	1.2
129.09221	0.9
132.03044	2.8
139.07642	0.6
139.11301	0.5
141.09175	0.6
143.10760	1.2
149.49146	0.4
153.12828	1.6
155.10719	0.7
159.10251	1.7
163.04021	0.8
169.12448	0.5
171.13901	2.6
173.11795	1.9
195.13866	0.9
211.17000	1.3
213.14972	3.5
215.16513	0.4
229.14380	0.5
239.20119	1.6
241.18111	0.5
243.15977	1.2
245.17497	2.7
257.21268	1.0
259.19067	3.5
273.20801	0.4
303.25488	0.7
315.21796	1.3
329.23328	1.1
331.24915	5.1
332.25064	0.4
343.25204	0.4
359.28296	2.0
361.25912	1.7
375.27298	2.4
376.27875	0.5
377.29047	100.0
378.11646	0.8
378.29413	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	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56858	0.4
55.01881	0.8
57.03455	0.9
59.01378	100.0
60.01727	1.5
61.98832	0.7
62.46656	0.3
70.90052	1.2
71.01379	16.4
71.05045	0.6
72.99326	1.1
73.02940	5.7
75.84505	0.4
78.95900	5.3
78.96310	0.5
83.01363	2.7
85.02947	8.4
87.00896	0.9
89.02446	3.8
95.01392	1.1
96.96971	0.5
99.00886	2.3
99.04554	0.5
101.02441	13.8
113.02451	7.9
119.03488	1.0
125.02508	0.9
127.11315	0.8
141.65965	0.4
143.03503	1.3
152.99576	9.2
159.02924	0.8
161.04550	9.0
171.00607	0.7
173.15511	1.4
205.03581	0.6
335.20767	18.4
336.21170	1.6
341.11099	1.0
377.13483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03436	1.0
59.01380	100.0
60.01711	1.3
60.03926	0.6
61.98839	0.8
62.36100	0.5
67.18507	0.5
71.01381	18.7
71.05029	0.7
72.99309	1.3
73.02950	5.1
78.95903	6.8
83.01379	3.3
85.02948	8.7
87.00884	1.1
89.02451	4.4
95.01413	1.7
96.96061	0.5
96.97007	0.5
99.00907	1.7
101.02440	14.1
105.11273	0.5
106.34779	0.5
113.02429	6.9
119.03519	1.4
122.70326	0.6
125.02466	0.9
129.01970	0.7
133.00742	0.6
143.03522	1.5
152.99588	11.2
159.03049	1.9
161.04561	9.4
173.15523	2.0
213.94012	0.6
234.46397	0.6
280.37997	0.5
317.19714	0.8
321.69577	0.6
335.20737	19.5
336.21103	2.0
341.11005	0.7
350.08011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.1
58.00588	1.6
59.01379	2.8
65.03958	0.5
65.28017	0.4
69.03428	0.6
69.36465	1.3
69.36882	1.6
71.01366	1.5
71.05006	3.4
73.02943	17.2
81.03462	2.0
83.05022	27.6
84.05354	0.8
85.02947	1.1
85.06586	1.3
87.04494	1.4
93.06520	0.7
93.07095	10.2
94.07455	0.4
97.06587	1.7
99.04511	1.5
99.08142	2.2
100.58965	0.3
101.06083	3.2
101.31793	0.3
109.06583	1.0
111.08137	0.6
113.09721	0.7
115.07639	0.4
123.08143	2.4
124.56758	0.4
125.02438	1.7
125.09737	0.7
129.09167	0.7
135.11787	0.5
139.07645	0.9
141.09230	0.9
143.10770	15.2
144.11046	0.7
147.11789	0.8
151.00273	0.5
151.07568	0.4
159.10265	3.8
161.13344	0.8
169.01451	1.0
171.13841	0.5
173.11806	0.5
175.11101	0.4
181.12308	0.6
182.35547	0.4
191.14305	0.5
199.16956	0.5
213.15028	0.9
215.16544	3.5
227.16472	1.2
245.17557	100.0
246.17888	9.0
259.06110	1.1
287.05652	0.8
309.24329	0.6
315.25363	1.7
345.26422	0.7
357.26605	0.5
359.42596	0.4
375.20129	0.7
375.27505	15.3
376.27786	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	377.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02990	2.2
59.01376	19.9
65.84251	2.4
70.69437	5.5
71.01389	7.3
73.02928	5.6
77.03981	3.1
81.03460	16.0
83.01380	3.5
83.05019	10.8
89.02474	4.0
91.42819	2.6
93.03472	4.3
95.05038	9.3
101.02397	3.3
105.03462	20.0
109.02952	7.7
111.04517	57.6
112.04888	2.6
119.03557	3.1
119.05048	6.1
123.04472	2.9
127.04018	91.6
128.04352	3.9
133.02960	100.0
137.02440	7.7
150.49261	3.2
153.09166	4.7
155.03506	97.6
156.03821	6.8
163.03995	12.0
171.10240	10.0
177.01939	31.0
197.08150	6.2
199.02467	59.6
200.02872	3.0
215.09270	9.2
377.14429	15.1
377.21753	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	377.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01376	4.3
69.03436	0.9
69.43134	5.9
71.01383	2.9
73.02943	1.2
85.02936	1.7
86.64545	0.7
88.04041	7.7
89.02453	1.2
95.04992	1.2
97.06590	0.8
101.02448	1.5
110.06114	3.5
113.02472	0.8
114.01958	1.8
115.00371	3.1
119.05048	1.2
122.06109	6.4
132.02097	1.4
132.03038	22.4
133.03056	0.8
146.02515	2.7
148.04053	1.2
149.92119	0.9
160.04027	25.4
161.04819	44.7
162.03178	1.7
162.05327	2.8
163.03897	0.8
164.03459	1.0
176.03479	1.6
193.03781	3.7
195.13881	1.2
201.09207	2.7
205.03778	100.0
206.04132	5.9
219.10260	3.1
229.08740	1.5
237.02771	1.7
245.08203	0.8
257.12955	1.9
262.10840	2.6
271.10788	2.4
272.12909	1.2
283.10895	6.8
301.11899	9.4
302.12424	1.2
341.11246	0.9
345.10870	70.2
346.11157	10.4
377.13483	4.8
377.17703	1.9
377.21887	2.1
377.25543	21.1
378.11908	8.0
378.25775	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16609	0.4
74.99073	3.1
75.28560	0.4
75.96246	0.5
86.63351	0.4
93.00111	0.7
94.72264	0.4
98.19857	0.9
143.05293	0.7
149.00938	0.6
159.08463	11.0
160.08736	1.0
161.06429	3.2
162.06631	0.4
183.21574	0.6
192.98213	0.9
209.01279	2.8
210.57195	0.5
217.07198	1.4
229.06142	0.6
248.61360	0.5
275.06021	1.1
277.07605	2.7
289.07468	2.1
291.09097	100.0
292.09232	14.8
309.10236	1.1
320.18512	0.4
324.88867	0.5
357.13879	2.1
358.13757	0.7
359.15329	98.0
360.15494	20.0
360.20111	0.8
375.18478	5.8
376.18634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74670	0.4
63.91059	0.3
74.99074	3.1
80.61378	0.4
84.15015	0.4
90.80251	0.3
91.02226	0.4
93.00158	0.8
98.19820	0.8
123.36414	0.4
126.52459	0.4
143.05388	0.7
149.00975	1.1
159.08467	11.0
161.06409	2.8
171.31160	0.4
192.98134	0.8
209.01274	3.8
211.97530	0.4
217.07228	1.4
245.35638	0.4
261.04294	0.6
275.05975	1.5
277.07605	2.6
289.07544	2.2
291.09094	100.0
292.09222	15.7
309.10123	0.9
357.13614	1.9
359.15332	99.0
360.15500	19.3
375.18466	5.9
376.18610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
56.72068	0.4
57.03443	0.8
58.00588	1.8
59.01380	47.0
61.98827	0.8
69.21394	2.0
69.21817	2.8
71.01382	25.3
72.65583	0.5
72.99308	2.4
73.02953	1.1
80.32889	0.4
83.01391	2.0
85.02949	5.9
87.00875	0.8
89.02444	21.7
92.15504	0.5
95.01378	2.4
96.96036	0.6
99.00891	0.7
101.02443	15.8
105.20972	0.5
113.02455	8.8
118.42467	0.6
119.03514	7.0
131.03487	0.9
161.04669	0.6
165.04048	1.0
165.12804	0.6
183.13905	2.9
195.12102	0.5
195.13908	10.1
195.76013	0.5
196.14267	0.6
207.78995	0.6
213.14967	4.7
214.15308	0.9
227.12868	2.2
334.02188	0.5
359.61569	0.5
375.20224	100.0
375.27814	2.7
376.20572	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	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.8
59.01374	4.9
69.03432	0.8
69.36893	6.5
71.01376	4.4
71.05022	3.8
73.02946	58.1
74.03291	1.0
81.03485	2.0
81.07082	2.5
83.05026	7.2
85.02938	2.7
85.06588	9.9
87.04514	23.9
89.02425	1.3
91.71918	0.9
93.07079	1.6
95.05029	3.2
97.06586	17.5
99.04530	2.5
99.08170	1.2
101.06085	1.1
111.08202	1.4
115.07646	6.2
119.05087	0.8
122.03728	1.8
123.08152	3.7
124.05360	1.0
125.06089	3.6
129.09215	2.9
137.02385	1.0
139.07651	9.8
140.08072	1.0
141.09215	3.5
143.10730	1.2
147.11761	1.0
149.13341	5.9
150.03168	1.1
151.03984	1.5
157.08716	0.8
159.10265	100.0
160.10611	5.1
161.13353	21.6
162.13620	1.6
177.01874	2.4
188.89455	0.8
197.15414	1.7
198.55780	1.5
201.14937	1.8
209.15665	1.3
217.19548	1.7
245.17551	6.9
246.07716	1.9
271.58765	6.4
272.08972	4.9
272.59219	1.3
274.07181	2.4
283.22696	1.3
285.24152	1.3
297.24338	3.1
309.24268	1.4
315.25430	13.4
316.25845	1.4
321.24313	1.1
327.25464	0.9
339.25409	2.1
345.26324	5.6
357.26431	2.9
373.26013	3.0
375.27515	86.8
376.27850	13.6
380.11765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08818	0.3
55.01875	0.3
57.03453	4.9
58.00599	0.6
59.01385	2.1
61.98817	0.5
68.52864	0.2
69.03464	0.7
69.31244	2.3
71.01384	0.9
71.05016	0.9
73.02950	0.7
83.05055	0.5
85.02921	0.3
87.04506	0.5
87.46704	0.4
89.02454	0.4
95.05029	0.6
97.02945	0.3
97.06596	3.2
98.19934	0.7
99.08161	3.7
109.06585	0.3
111.08214	0.3
111.60687	0.3
113.09727	1.3
121.02953	0.7
123.08127	0.7
125.02463	0.4
125.09742	0.5
137.02444	0.9
137.09720	0.5
141.09204	0.4
143.10777	6.2
149.13336	0.6
152.24095	0.3
153.12781	0.5
157.05057	0.3
157.08754	0.5
167.14441	0.3
171.10226	0.4
183.13998	0.3
197.15483	2.3
199.13432	0.3
207.93970	0.3
213.34573	0.3
243.15900	0.5
245.17528	0.8
263.20087	0.6
265.21683	0.7
283.22775	0.7
297.24460	0.4
313.23962	1.6
322.92581	0.4
325.23883	0.7
343.24878	7.3
344.25150	1.0
355.24945	1.6
373.25934	100.0
374.26297	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	373.2595
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.68867	0.3
57.03446	0.8
59.01371	1.5
61.98825	0.9
67.03906	0.3
69.03456	0.4
69.41463	0.6
69.41878	2.3
71.01366	0.8
73.02962	0.5
76.59089	0.3
76.77571	0.4
76.78002	0.3
85.06625	0.4
89.02495	0.4
97.06631	0.5
101.02445	0.5
102.36769	0.4
109.80373	0.4
121.10207	0.6
125.09780	0.4
133.10236	0.5
137.02451	1.0
139.11287	0.8
141.12831	0.7
151.11229	0.5
157.12379	0.4
167.10776	0.4
185.11812	13.8
186.12148	0.7
277.21823	0.4
288.19595	1.8
289.21710	0.8
295.22748	2.3
307.22733	1.3
313.23663	1.7
325.23914	3.1
326.24170	0.5
341.23193	1.6
343.24866	13.1
344.25220	1.8
353.22742	0.5
355.24887	2.8
356.25177	0.6
358.10638	0.6
371.24548	1.3
373.25931	100.0
374.26334	14.0
374.29929	0.2
388.86621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01820	0.7
58.00583	2.3
59.01372	4.3
59.78921	0.8
61.98806	1.5
64.69149	0.7
71.01368	3.9
71.50520	1.0
72.99314	0.9
73.02927	1.5
83.01395	0.9
85.02942	2.9
87.00864	3.4
89.02444	1.7
95.01376	1.1
99.00908	0.9
101.02438	1.7
108.02123	1.1
113.02448	2.2
114.05524	0.9
117.03436	1.1
121.02945	5.3
122.03756	1.0
129.01987	0.9
135.04478	1.2
140.79871	0.7
145.02940	2.3
147.04491	1.4
149.02437	41.1
150.03226	48.8
151.03558	2.3
153.01976	0.9
159.03061	0.9
161.02414	3.5
161.04536	3.5
162.03203	5.4
163.03926	1.3
164.04778	19.5
165.05568	100.0
166.05923	4.3
177.05588	2.2
180.04330	3.7
191.01942	1.1
195.06631	23.9
196.06982	1.1
223.04422	1.1
244.95459	0.8
253.49710	0.9
310.49600	0.8
327.10803	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53505	0.4
59.01378	4.8
61.98851	0.5
69.39668	1.8
69.40092	1.8
71.01386	1.4
85.02941	1.6
89.02452	0.9
101.02451	0.6
102.28590	0.5
110.00086	8.0
111.00894	1.4
112.77525	0.5
113.02460	2.3
123.00905	0.7
124.01695	0.8
125.02448	7.0
134.03725	3.0
137.02422	0.9
137.99588	10.3
139.00377	7.3
139.03938	0.5
140.01120	0.9
149.06046	0.9
151.00351	0.7
151.04016	0.7
152.01126	2.5
153.01933	100.0
154.02661	8.8
155.03433	1.6
166.02689	0.8
167.03484	6.5
168.04269	50.8
169.05058	21.3
170.05397	1.3
179.03487	1.0
189.97382	0.5
191.03528	0.9
193.05057	2.9
197.04596	0.5
209.04536	1.1
211.06099	1.3
225.55978	0.4
239.58875	0.5
273.20349	0.6
281.06592	0.7
373.07523	0.6
373.11441	3.0
374.12546	0.6
374.70670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2595
Annotation	oscr#24
Peak:m/z	Relative Intensity
51.68860	0.3
57.03449	10.5
59.01379	1.5
61.98814	0.3
66.80810	0.3
69.03443	1.0
69.15223	1.5
69.15651	1.3
71.04990	0.3
83.05041	0.4
85.06595	4.3
87.04465	0.4
95.05023	0.4
97.06591	1.4
98.19932	0.6
99.08122	0.4
111.08195	0.4
123.04499	0.3
125.09710	0.4
143.10773	6.0
144.11159	0.4
147.38576	0.3
153.12790	0.4
167.14470	0.5
184.97511	0.3
185.11815	0.8
195.13930	0.3
197.15474	3.6
198.15797	0.4
223.20572	0.6
235.21095	0.3
245.17583	1.4
265.21738	0.4
283.22913	0.8
295.22958	0.5
313.23843	1.1
325.23984	0.4
343.24875	7.5
344.25259	1.1
355.24921	1.2
373.25922	100.0
374.26291	14.1
381.21509	0.3
381.61969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05970	0.6
57.99549	0.5
59.01383	7.5
61.98823	1.4
67.25921	0.5
68.99800	0.6
69.39734	2.2
69.40155	2.0
71.01368	3.0
72.99320	1.5
85.02962	2.4
89.02460	2.1
101.02446	1.4
110.00092	9.1
111.00940	1.1
113.02449	2.8
117.03497	1.0
123.00893	1.0
124.01650	0.7
124.04137	0.6
125.02457	6.8
134.03723	10.4
135.04068	0.7
136.01627	0.6
137.02449	1.4
137.99586	9.4
139.00377	6.5
139.04025	0.9
140.01117	1.0
146.42673	0.6
149.06079	1.8
150.03215	1.1
151.00417	1.1
151.04036	1.3
152.01146	3.5
152.04570	0.6
153.01936	100.0
154.02675	10.0
155.03510	1.4
158.21141	0.6
161.02516	0.6
165.05586	1.1
166.02663	1.3
166.21490	0.6
167.03510	7.0
168.04276	46.6
169.05055	20.0
170.05479	0.9
178.02719	1.8
179.03467	0.9
193.05049	11.1
209.04611	1.0
211.06119	4.2
281.06503	0.9
313.05682	2.1
358.00143	0.6
373.07593	1.4
373.11450	11.5
373.15887	0.4
374.11813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2182
Annotation	TMC-96
Peak:m/z	Relative Intensity
57.03442	0.9
59.01380	2.9
60.70232	0.5
61.98841	0.7
71.01387	2.0
71.51323	0.8
73.02969	0.8
81.03457	15.0
83.01382	0.8
83.05026	55.6
84.05363	1.4
85.02958	2.3
93.03450	2.5
97.02936	0.6
100.07688	14.8
101.02436	1.7
108.27794	0.5
109.02937	1.0
113.02467	1.2
116.71704	0.5
121.02933	1.3
122.06136	0.7
123.04533	2.8
125.02447	1.7
126.05598	1.7
127.03995	0.8
130.08707	1.0
137.02451	8.2
138.02812	0.6
165.97343	0.6
167.03519	6.0
173.06082	0.5
176.27405	0.5
182.15544	1.0
187.07491	0.7
189.05701	0.6
191.03482	1.3
199.18149	9.1
200.18567	0.8
209.01550	0.7
215.07137	0.7
225.16080	11.8
226.16438	0.8
233.08224	0.7
243.17119	32.8
244.17390	2.7
269.15002	2.6
283.10867	2.0
309.21954	1.3
327.09784	1.9
327.13559	0.9
327.23065	0.8
353.20831	9.5
354.21011	0.9
371.13434	7.9
371.21835	100.0
372.22211	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	373.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16552	2.1
53.65363	2.1
59.01368	10.0
61.98814	3.4
71.50957	4.1
89.95041	2.5
108.02168	5.5
109.02937	9.1
109.12659	2.3
121.02924	5.1
122.03741	5.5
123.00877	6.0
123.04520	6.1
125.02441	6.5
133.02899	2.3
134.03705	3.0
137.02448	3.8
145.02948	6.2
147.42067	2.6
149.02406	6.0
150.03214	3.1
151.03993	4.6
153.01971	2.6
165.05542	5.9
167.04948	3.6
169.06549	5.0
180.05794	2.9
181.06567	4.6
185.06047	8.9
187.03960	2.5
195.04478	6.5
196.05258	7.5
197.06087	18.9
199.03809	3.9
203.07097	2.5
204.07489	3.4
205.05054	3.8
208.05232	3.7
209.06160	3.1
211.04071	2.6
211.07574	3.4
212.04665	3.0
212.08350	3.7
213.05585	28.2
215.03503	4.0
223.04056	7.2
224.04768	13.6
225.05547	45.7
226.05960	5.1
236.63989	2.4
237.05482	5.6
238.06328	3.3
238.16319	2.1
239.07039	17.2
240.04149	4.3
240.07790	8.3
241.05051	94.4
242.05487	7.1
245.08165	2.9
246.08438	4.0
252.07832	2.8
253.05048	81.0
254.05441	6.8
256.07419	54.4
257.07642	3.7
259.06247	3.2
260.06906	13.6
267.06528	11.6
268.07373	70.3
269.07660	6.9
271.09735	100.0
272.10016	11.8
281.04541	4.7
283.09714	50.4
284.07077	2.7
284.10049	7.5
286.08453	2.9
289.07288	7.0
290.07523	23.3
296.06912	2.9
297.04095	4.3
300.06381	3.6
301.10800	39.7
302.11115	4.8
311.10214	9.9
312.06366	3.1
315.08786	13.8
327.08643	7.1
343.08237	13.8
344.08932	2.4
345.09695	12.5
355.08191	38.3
356.08414	5.4
373.09332	9.3
373.18649	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	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57019	0.8
56.34660	0.6
59.01383	5.0
61.15560	0.7
62.33276	0.7
69.45885	4.6
70.33256	0.8
71.01386	1.0
75.62690	0.6
89.02449	2.8
91.04006	10.1
101.32000	0.8
106.06970	0.7
113.09721	2.4
166.43370	0.7
172.06157	0.7
179.14375	1.1
195.13911	15.9
196.14369	0.9
223.04671	0.7
277.21664	13.2
278.22000	2.3
295.22769	100.0
296.23117	13.3
313.98831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3007
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
54.52057	0.4
57.03453	0.5
59.01379	100.0
60.01710	0.7
61.35439	0.3
69.45961	0.8
69.46368	1.9
69.56226	0.3
74.02477	1.1
85.02949	13.9
86.03275	0.4
92.97771	0.4
104.03499	0.4
136.96684	0.4
193.19342	0.4
206.48233	0.3
216.84897	0.4
234.48059	0.3
261.41638	0.4
265.25366	3.7
291.26956	0.7
307.30078	1.4
308.30228	0.4
340.28577	0.8
351.29028	1.5
369.30093	34.5
370.30338	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	371.1347
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
52.29074	0.9
57.03458	1.6
59.01379	100.0
59.62386	0.9
60.01720	1.4
69.38318	1.5
69.38727	6.6
71.01387	7.7
76.56969	0.9
82.60275	1.0
83.01383	2.3
85.02961	5.7
89.02452	4.6
93.03449	8.2
101.02452	7.1
110.33107	0.9
113.02445	2.5
119.03456	0.9
121.02958	2.0
125.02443	1.5
137.02443	25.4
161.04521	1.7
163.11308	1.7
166.02621	1.2
167.03464	1.8
172.89026	0.9
259.79077	1.0
349.78732	1.0
371.13379	29.8
371.16898	2.3
372.13623	3.2
383.03690	1.0
386.30579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11578	0.5
55.01875	9.2
57.03451	8.2
58.00595	3.1
59.01378	64.4
59.77608	0.5
68.99806	0.8
69.03451	1.6
69.43667	2.5
69.44073	1.1
71.01379	100.0
72.01730	1.1
72.99300	3.5
73.02943	32.6
74.03284	0.5
75.00867	1.4
81.03459	0.6
83.01388	17.7
84.02172	0.8
85.02946	48.6
86.00079	0.8
86.03294	0.5
87.00883	3.5
87.38499	0.5
87.77570	0.5
89.02444	27.6
90.02750	0.5
95.01381	7.6
97.02950	2.8
99.00879	13.0
101.02439	85.6
102.02744	2.7
105.63187	0.4
111.00874	1.3
113.02444	43.3
114.02726	1.6
119.03494	9.0
121.06541	0.5
123.08120	0.7
125.02454	2.9
129.01923	1.9
131.03441	1.3
137.09711	1.4
139.11304	0.5
143.03479	6.1
149.09819	0.5
154.31044	0.5
159.02983	11.2
161.04549	46.9
162.04901	2.2
179.05606	1.6
205.03497	0.8
209.15459	11.3
210.15770	1.1
279.15869	0.5
371.13873	1.5
371.20691	39.9
372.21051	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	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01383	1.7
61.98828	1.4
69.03448	2.1
81.03454	1.5
83.01385	9.6
85.02956	2.1
85.93191	0.7
93.03449	3.3
95.01373	2.5
95.05022	2.1
97.02962	12.1
104.32507	0.7
107.04937	0.8
108.02162	3.5
109.02950	41.3
110.03288	1.8
111.00912	0.9
117.03470	1.1
119.05064	0.9
119.08645	1.2
121.02950	7.1
121.06596	5.0
122.03773	4.0
123.04525	32.8
124.01603	1.7
124.04827	1.5
125.02444	3.6
133.02965	0.9
133.06543	0.8
135.04518	5.1
137.02422	3.3
137.09669	1.4
138.03232	1.3
139.03981	5.2
139.11253	0.7
145.02956	1.8
146.03714	6.3
147.04475	1.5
147.08260	0.9
149.02451	14.4
149.06117	1.0
150.03105	2.6
151.04008	14.0
158.03662	1.3
159.04520	7.1
160.05247	1.0
161.02440	7.6
161.06107	11.0
161.09698	3.8
162.03209	5.4
162.06352	1.4
163.03995	4.7
163.07640	4.1
163.11227	1.4
165.05562	1.1
173.06165	1.0
174.03232	0.9
175.03998	3.4
175.07646	1.4
175.11250	3.0
176.01117	2.3
176.04930	0.8
177.05577	4.4
177.09218	1.7
185.06079	0.8
187.04027	5.2
188.04742	3.0
189.01877	1.7
189.05577	2.9
190.02658	1.6
201.05609	1.7
201.09236	0.8
202.06308	0.8
203.03455	3.0
203.07143	8.9
204.04300	0.8
205.05060	21.6
205.08658	12.1
206.05550	1.1
207.10233	9.4
213.05576	1.6
215.10748	1.2
217.08656	8.0
218.08977	1.5
219.10257	4.6
227.07120	1.0
229.04936	1.0
231.03043	3.7
231.06496	1.5
241.12192	0.9
244.07513	0.9
245.08141	5.8
246.08803	3.9
247.06145	11.5
247.09697	2.9
248.06424	1.1
255.06526	1.2
259.09692	3.8
260.10269	0.9
268.10907	1.0
283.13516	4.0
301.14438	2.6
325.10562	0.9
325.14429	17.7
326.14856	2.7
369.13400	100.0
369.16861	4.2
370.13715	15.1
370.18060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01389	0.7
61.98820	1.1
67.01860	0.7
69.03441	0.8
72.31046	0.6
78.06670	0.6
79.95705	0.8
80.64733	0.7
83.01388	7.0
85.02954	1.8
89.02483	0.7
89.08842	0.7
93.03459	2.2
93.07097	0.7
95.01377	1.8
95.05008	2.0
97.02950	8.8
101.02409	0.7
108.02170	2.2
109.02949	41.4
110.03262	1.3
117.03471	1.2
119.08611	1.6
121.02959	4.8
121.06604	3.6
122.03735	3.5
123.00876	1.1
123.04524	25.9
124.01658	1.1
125.02443	2.2
131.04955	1.0
133.02927	1.0
135.04532	2.4
137.02451	2.5
137.09766	1.1
139.04008	3.8
145.02922	3.0
146.03708	2.6
147.04521	0.9
149.02443	8.8
149.06119	0.8
150.03178	2.4
151.03999	11.9
154.02794	0.8
159.04518	3.8
161.02454	5.8
161.06073	7.3
161.09711	3.1
162.03215	4.1
163.04001	2.8
163.07616	2.5
163.11275	1.5
165.01904	0.7
173.06070	0.8
173.09807	0.9
174.03214	0.8
175.03918	2.6
175.07553	1.2
175.11382	1.0
176.01131	2.1
177.05573	2.7
177.09227	1.1
185.06079	0.8
187.03960	3.5
188.04706	2.3
189.01941	1.1
189.05554	3.9
189.09198	1.0
190.02689	1.4
201.09192	1.0
203.03485	2.8
203.07150	8.0
205.05049	13.1
205.08696	11.2
206.05385	1.4
207.10249	6.9
213.05577	1.7
215.10840	0.7
217.08704	8.3
218.09254	1.3
219.10257	2.9
223.04573	1.0
231.02953	2.7
231.06602	1.6
244.07361	1.6
245.08194	5.3
246.08865	2.8
246.50668	0.8
247.06064	6.5
247.09648	1.5
255.06537	1.3
259.09702	4.6
283.13437	3.0
301.14380	1.9
307.13339	0.9
325.14481	13.3
326.14737	1.4
351.12540	1.1
358.72092	0.8
369.13403	100.0
370.13727	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42313	0.7
55.01876	1.4
57.03445	1.3
57.25563	0.8
59.01374	1.4
69.03459	2.4
71.51646	1.0
81.03467	1.3
82.08434	0.7
83.01387	8.9
85.02953	2.7
93.03445	2.9
93.07117	1.1
95.01368	2.7
95.05024	2.7
97.02958	14.8
108.02174	3.5
109.02951	40.9
110.03317	0.9
111.00848	0.8
116.69082	0.9
117.03490	1.7
119.08619	0.9
121.02972	7.8
121.06606	5.4
122.03737	3.1
123.00874	1.9
123.04525	31.6
123.08114	1.1
124.01678	1.2
124.04897	1.1
125.02443	3.8
129.01952	1.0
133.02905	1.4
135.04501	4.7
137.02434	4.0
137.09679	1.2
138.03227	1.2
139.04012	5.4
139.11273	1.1
143.05106	0.9
145.02950	3.4
146.03749	5.9
147.04514	2.4
148.01717	0.8
149.02425	12.6
149.06059	0.8
149.09654	1.1
150.03212	3.5
151.04005	13.3
157.06668	0.9
159.04521	5.2
160.05240	1.3
161.02489	7.0
161.06068	12.0
161.09760	2.8
162.03252	6.7
163.03947	4.7
163.07646	2.8
163.11267	2.0
165.01836	0.9
165.05591	1.3
173.02284	0.9
173.06041	1.4
174.03224	1.3
175.04012	4.0
175.07643	1.0
175.11273	2.7
176.01155	1.2
176.04742	1.3
177.05594	3.8
177.09344	1.6
183.01117	1.1
185.06073	1.3
187.03984	5.5
188.04745	2.8
189.01945	1.6
189.05571	3.7
190.02754	1.5
199.07594	0.9
201.05624	2.6
201.09253	0.9
202.06343	1.0
203.03508	3.3
203.07181	9.8
203.10687	1.2
204.04095	1.0
205.05054	21.5
205.08672	12.0
206.05444	1.9
206.08934	1.1
207.10249	11.3
211.07539	1.0
212.78600	0.8
213.05626	1.9
215.10704	1.4
217.08673	8.4
218.09154	1.2
219.10242	4.1
223.04539	1.5
227.07069	0.8
229.05006	1.6
230.05817	1.1
231.02995	1.7
231.06546	1.1
231.10283	0.9
239.07144	0.8
244.07364	1.4
245.08212	6.3
246.08815	4.3
247.06128	9.9
247.09700	3.5
248.06317	0.9
255.06693	1.1
259.09799	5.8
267.10388	1.0
281.11432	1.1
283.13361	3.7
301.14426	3.1
307.13379	1.5
314.92026	1.0
325.14413	18.8
326.14807	2.6
369.13394	100.0
370.13705	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03443	1.5
61.98842	1.6
63.76055	1.0
69.03453	1.6
70.98515	1.6
81.03439	1.3
83.01372	8.0
85.02969	2.8
93.03454	3.4
95.01369	1.1
95.05009	2.4
97.02945	11.2
98.61716	1.0
103.96512	1.0
108.02193	2.4
109.02953	41.2
116.70245	1.0
117.03463	0.9
119.08659	1.2
121.02936	6.9
121.06639	5.1
121.07425	1.1
122.03734	3.7
123.00866	1.5
123.04527	33.0
123.08163	1.4
124.04904	1.9
125.02437	3.6
131.05054	1.0
134.03648	1.2
135.04541	4.8
137.02431	2.6
139.04034	4.1
145.02943	3.0
146.03738	5.8
147.04442	1.6
149.02428	11.1
149.06090	1.3
149.09752	1.3
150.03224	2.7
151.04018	14.1
159.04491	5.7
161.02472	7.7
161.06064	11.3
161.09749	3.8
162.03232	5.8
163.04041	5.1
163.07635	4.0
163.11348	1.4
173.06026	1.8
175.04002	2.9
175.07570	1.2
175.11227	2.8
176.01134	2.4
177.05559	2.9
187.03999	5.0
188.04744	3.0
189.05403	3.0
190.02618	2.4
201.05589	1.6
203.03438	3.7
203.07103	8.6
204.07411	1.5
205.03278	1.8
205.05049	15.7
205.08664	12.1
206.05440	1.4
207.10272	10.0
213.05528	1.3
217.08679	9.1
218.09296	1.6
219.10268	6.4
229.05032	1.1
230.05814	1.9
231.02936	3.2
244.07227	1.3
245.08165	6.3
246.08908	3.7
247.06143	12.0
247.09584	2.4
248.06432	1.5
259.09756	4.6
283.13382	3.6
301.14398	2.3
325.14441	13.9
326.14746	2.2
369.13416	100.0
370.13724	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	369.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85705	0.5
57.03446	0.7
67.01891	0.5
69.03468	1.0
70.10678	0.5
71.91008	0.5
78.94610	0.5
81.03468	0.6
83.01391	6.9
85.02943	1.8
93.03436	2.6
95.01398	1.7
95.05034	1.8
97.02950	9.2
108.02157	2.3
109.02953	41.4
110.03314	1.8
111.00843	0.7
117.03489	0.7
119.05019	0.7
119.08702	1.2
121.02950	4.8
121.06568	4.3
122.03798	2.9
123.00880	0.6
123.04530	26.2
124.01649	1.0
124.04828	1.3
125.02438	3.4
131.05019	0.8
133.02986	1.0
134.03740	0.7
135.04517	3.0
137.02455	2.0
137.09734	1.2
139.04013	3.8
139.11235	1.2
145.02921	2.5
146.03773	3.6
146.07211	0.6
147.04489	1.5
149.02435	9.9
150.03152	1.7
151.04018	13.8
152.04381	0.6
154.02740	1.0
159.04526	4.5
160.05244	1.0
161.02457	5.9
161.06078	7.6
161.09738	4.6
162.03242	3.4
163.03979	3.3
163.07643	3.4
163.11307	0.9
164.04869	0.8
165.01927	0.6
165.05576	1.0
165.09178	1.1
173.06061	1.3
174.03177	1.1
175.03989	2.4
175.07602	1.7
175.11232	2.2
176.01122	2.4
176.04591	0.6
177.05537	2.8
177.09219	1.3
185.05998	0.8
187.04019	3.0
188.04774	2.9
189.01857	0.9
189.05562	3.9
189.09219	0.8
190.02733	1.9
191.10806	0.7
201.05630	1.1
201.09221	0.7
202.06328	0.6
203.03488	2.3
203.07166	7.9
203.10762	1.1
204.04161	0.6
205.05058	15.5
205.08685	11.6
206.05470	0.8
206.09111	1.2
207.10272	8.1
213.05574	1.8
215.03481	1.0
215.10800	0.7
217.08673	8.3
218.09283	0.8
219.10243	4.5
223.04697	0.6
230.05769	1.1
231.02896	1.7
231.06609	1.5
231.10136	0.8
239.07133	0.8
240.11546	0.7
244.07420	1.7
245.08182	4.6
246.08737	3.2
247.06094	7.7
247.09712	3.1
248.06281	0.7
259.09708	4.8
283.13391	3.8
301.14447	2.1
307.13348	0.6
325.14432	14.8
326.14783	2.2
369.13406	100.0
370.13754	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59513	0.7
57.03434	0.9
62.39440	0.8
69.03446	2.2
69.06524	0.7
74.29868	0.7
74.35675	1.0
80.02689	1.2
81.03460	1.8
83.01378	11.5
85.02945	1.7
93.03454	2.8
93.07077	0.9
95.01378	2.1
95.05022	2.5
97.02942	14.9
106.04207	0.8
107.05035	1.1
108.02164	3.0
109.02947	41.8
110.03288	1.5
116.01776	1.1
117.03488	0.8
121.02943	7.5
121.06577	5.4
122.03740	4.5
123.00850	1.5
123.04527	31.4
123.08173	1.0
124.01664	1.9
124.04838	1.6
125.02428	3.9
125.07218	0.8
131.05005	1.4
133.02956	0.9
135.04524	5.6
137.02454	2.8
137.09724	1.5
139.04037	5.1
139.11308	1.6
145.02942	3.5
146.03717	5.8
147.04480	1.2
149.02431	14.4
149.05989	1.2
150.03210	2.8
151.04005	13.9
152.04341	0.9
154.02740	0.8
155.63136	0.8
157.06548	1.0
158.03683	1.2
159.04482	5.7
161.02419	6.8
161.06067	12.3
161.09720	5.3
162.03241	5.9
163.04024	4.2
163.07669	3.9
163.11243	0.9
165.09181	0.9
171.60457	0.7
173.06026	1.0
173.09663	0.9
174.03201	0.7
175.04008	3.2
175.07613	1.5
175.11259	2.7
176.01137	1.6
177.01888	1.1
177.05554	3.2
177.09201	2.0
185.06027	1.0
187.03998	4.8
188.04778	4.7
189.01923	1.3
189.05592	3.7
189.09062	1.1
190.02715	2.0
192.75157	0.8
201.05554	1.3
201.09274	1.0
202.06310	1.2
203.03505	2.3
203.07108	11.5
203.10791	0.9
204.07578	1.0
205.05045	21.2
205.08691	11.2
205.13472	1.0
206.05286	1.7
206.09016	1.1
207.10229	8.4
208.10570	1.2
211.07600	0.9
212.04773	0.8
213.05545	1.6
215.10791	1.4
217.08687	8.7
219.10335	3.6
226.06178	0.8
229.02983	0.8
229.05167	1.6
230.05769	1.7
231.02919	2.5
231.06595	1.3
231.10167	1.0
239.07230	1.0
244.07353	1.2
245.08136	6.2
246.08920	4.0
247.06061	11.0
247.09764	3.8
248.06557	1.1
255.06573	1.3
259.09766	6.2
260.10345	0.9
283.13477	4.0
301.14496	2.8
307.13501	1.2
308.13696	0.7
325.14423	21.8
326.14795	2.4
337.15921	1.1
351.12558	1.5
369.13406	100.0
370.13748	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	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43378	0.6
57.03435	0.6
69.03451	1.3
69.08263	0.6
70.99538	1.5
74.04922	0.6
74.31564	0.6
75.16558	0.5
83.01386	6.1
85.02949	0.8
85.32731	0.7
87.75130	0.6
92.18082	0.6
93.03450	2.8
93.07131	0.7
95.01374	0.8
95.05008	1.4
97.02946	8.8
108.02171	2.3
109.02951	41.3
110.03249	0.9
117.03490	0.8
119.08669	1.2
121.02963	4.4
121.06584	3.0
122.03735	3.1
123.00918	1.0
123.04524	24.2
124.01656	1.7
124.04843	0.9
125.02442	2.5
133.06633	0.7
135.04500	2.2
137.02399	0.8
137.09750	0.8
139.04004	2.8
139.11249	1.2
140.04475	0.6
145.02917	1.9
146.03719	3.3
147.04411	1.0
148.01659	0.6
149.02443	9.0
149.06059	0.9
150.03102	2.0
150.82391	0.7
151.04004	11.0
152.04326	1.1
154.02686	0.8
159.04553	3.7
161.02426	5.8
161.06035	6.9
161.09763	3.4
162.03206	3.8
163.04025	3.4
163.07617	2.6
163.08946	0.6
163.11266	1.2
164.01115	0.8
167.51154	0.7
173.06021	1.8
173.09662	1.1
174.03239	0.9
175.03976	2.3
175.07637	1.4
175.11305	1.9
176.01143	1.8
177.05519	2.1
177.09167	1.8
187.04012	3.8
188.04791	2.8
189.01881	1.6
189.05562	3.8
189.09140	0.8
190.02672	1.0
201.05553	0.9
202.06332	0.7
203.03510	2.8
203.07135	6.9
203.10760	1.0
204.03984	0.7
205.03296	1.1
205.05055	12.9
205.08656	11.2
207.10226	8.2
210.32825	0.6
213.05595	1.5
215.10896	0.8
217.05185	1.0
217.08682	7.7
218.09337	1.1
219.10210	3.6
223.07426	0.8
225.05583	0.7
229.04959	0.9
231.02951	1.7
231.06589	1.0
231.10208	1.4
235.82649	0.7
241.12117	0.7
244.07358	0.9
245.08145	5.7
246.08844	3.0
247.06114	6.3
247.09720	2.4
255.06403	0.9
259.09720	4.3
283.13458	3.5
301.14404	2.8
307.13220	1.3
325.14413	11.9
326.14670	1.9
369.13394	100.0
370.13748	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	369.1341
Annotation	Glyasperin B
Peak:m/z	Relative Intensity
57.03442	3.4
59.01370	2.1
69.03457	2.5
69.69077	2.3
69.69475	3.8
73.02946	1.0
81.03474	1.1
83.01389	8.9
85.02950	3.6
88.64590	0.9
93.03452	3.6
95.01421	1.9
95.05005	2.8
97.02945	12.7
106.04268	1.0
106.38712	0.9
107.01458	0.9
107.05030	0.9
108.02178	3.1
109.02951	41.9
117.03448	1.8
119.08626	1.5
121.02982	6.3
121.06590	3.8
122.03725	3.2
123.00855	1.5
123.04529	33.1
124.01646	1.5
125.02467	11.7
131.05081	1.1
133.03003	1.2
134.03717	1.2
135.04491	4.4
137.02455	3.7
138.03212	1.2
139.04042	6.1
139.11302	1.0
140.61467	1.0
145.02957	4.3
146.03748	4.3
147.04506	1.8
149.02451	12.3
149.06107	1.1
150.03148	2.8
151.04007	13.6
152.06839	1.0
159.04494	5.5
160.05287	1.9
161.02493	7.1
161.06093	11.7
161.09735	3.8
162.03189	5.3
162.06332	1.1
163.04036	6.6
163.07663	4.0
163.11316	1.2
164.01114	1.2
165.02020	1.6
173.06184	1.3
175.04025	3.0
175.07590	2.0
175.11275	2.8
176.01102	1.8
177.05580	3.5
177.09225	1.9
185.06105	1.0
187.04024	4.1
188.04701	2.7
189.01965	1.3
189.05519	2.8
190.02763	2.0
201.05615	2.4
203.03505	3.1
203.07149	10.6
205.05052	19.7
205.08678	10.8
206.09131	1.2
207.10225	8.6
213.05583	2.1
217.08693	7.4
218.09288	1.7
219.10263	4.0
223.04568	1.5
229.05118	1.9
231.02942	2.4
231.06715	1.2
239.07016	1.5
244.07437	1.8
245.08113	6.3
246.08896	3.1
247.06117	10.9
247.09747	2.9
259.09738	4.3
268.11121	1.2
281.11646	1.1
283.13351	3.1
301.14365	2.3
307.13498	1.5
325.10736	0.7
325.14407	18.4
326.14847	2.7
351.12299	1.4
369.13431	100.0
370.13806	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	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03447	1.2
59.01383	2.6
69.03450	2.7
70.82205	0.5
71.01372	1.9
73.76712	0.4
80.02681	0.8
81.03448	1.1
83.01389	9.3
83.04978	0.4
85.02950	1.8
89.02451	2.0
91.05493	0.4
93.03454	4.0
93.07076	1.2
95.01381	2.6
95.05032	2.2
97.02948	15.3
98.03239	0.4
98.20712	0.6
99.02753	0.4
99.31725	0.4
101.02468	0.8
105.03487	0.5
106.04293	0.5
107.05037	1.1
108.02174	3.3
109.02953	47.1
110.03305	1.7
111.00860	0.6
113.02462	0.7
117.03447	1.3
117.07143	0.4
119.03487	0.7
119.05038	0.7
119.08667	1.2
121.02960	7.4
121.06593	5.2
121.32910	0.4
122.03767	5.4
123.00896	1.6
123.04528	34.7
123.08102	1.0
124.01650	1.7
124.04862	1.0
125.02448	3.6
131.05037	0.5
133.02954	1.5
133.06610	0.6
134.03778	1.0
135.04527	5.3
136.04854	0.5
137.02469	3.1
137.09718	2.6
138.03220	0.8
139.04018	5.4
139.11267	1.3
143.04996	1.0
145.02950	3.0
145.06544	0.4
146.03726	5.8
147.04491	1.8
147.08179	0.4
149.02451	14.2
149.06085	1.7
150.03235	2.8
151.04016	12.8
152.04321	0.8
154.02747	0.8
157.06532	0.7
158.03679	0.8
159.04500	6.5
159.08134	0.4
160.05176	1.3
161.02454	7.1
161.06076	12.3
161.09712	4.2
162.03218	5.4
162.06409	0.8
163.03999	5.0
163.07635	3.9
163.11278	1.3
164.01117	0.4
165.01932	2.0
165.05518	0.6
165.09171	0.7
172.05403	0.8
173.06033	1.5
173.09650	0.9
174.03183	1.2
174.06827	0.6
175.04001	3.9
175.07675	2.1
175.11316	2.0
176.01204	2.1
176.04811	0.6
177.01854	0.8
177.05585	3.5
177.09213	1.7
183.08116	0.4
185.06125	2.1
186.03107	0.5
187.04010	5.0
188.04802	3.8
189.01968	1.6
189.05562	3.5
189.09200	1.1
190.02643	1.6
190.05966	0.4
194.02124	0.4
197.06053	0.9
197.28806	0.4
199.03967	0.5
201.05562	2.0
201.09247	1.4
202.06346	1.4
203.03534	4.1
203.05145	0.7
203.07147	10.9
203.10851	1.1
204.04286	0.6
204.07570	1.1
205.05057	21.5
205.08655	12.8
206.05431	1.0
206.08937	0.8
207.10251	9.6
208.10538	0.5
211.07414	0.9
213.05704	2.0
215.03500	0.6
215.10695	1.1
216.04332	0.8
217.08664	8.3
218.09177	1.2
219.10252	4.7
225.09167	0.5
226.06213	0.4
227.07132	0.6
229.05023	1.7
230.05791	1.0
231.02982	3.2
231.06458	1.1
231.10127	0.6
239.06992	1.1
239.10730	0.6
240.11491	1.0
241.12259	0.5
244.07381	1.5
245.08157	6.6
246.08858	3.6
247.06113	11.9
247.09819	3.1
248.06525	1.4
253.08789	0.8
259.09772	4.7
260.10318	1.0
281.11740	0.8
281.15204	0.6
283.13336	3.0
297.14951	0.6
298.75607	0.5
301.14417	2.4
307.13397	0.9
325.14441	20.6
326.14984	2.4
327.12524	1.0
351.12326	1.1
369.13406	100.0
370.13757	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
55.22379	1.0
57.03449	21.2
59.01366	2.1
68.99818	1.7
69.43266	7.9
71.01369	7.2
72.99290	2.6
73.02940	3.2
75.00880	2.4
83.01381	8.2
84.02176	3.7
85.02950	100.0
86.03307	1.5
86.88088	1.1
87.00863	1.2
101.02423	5.1
111.00882	27.6
119.05027	7.3
125.02415	1.1
129.01938	40.3
145.02963	1.6
147.03046	1.2
161.04593	2.2
163.03996	7.2
205.03523	25.0
221.77925	1.0
223.04581	48.7
224.04860	2.4
253.69244	1.0
289.79001	1.1
370.14853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
56.81538	1.2
57.03446	21.2
59.01374	1.3
64.94877	1.0
65.03275	1.1
65.61262	0.9
67.01885	2.0
68.99786	1.2
71.01371	4.7
71.27351	1.8
72.08297	1.1
73.02932	3.2
73.69209	0.9
75.00877	1.9
83.01376	10.2
84.02151	2.6
85.02951	100.0
86.03289	2.5
87.00901	1.4
101.02425	6.2
111.00168	2.0
111.00886	27.2
117.07802	1.0
119.05029	11.9
129.00954	2.0
129.01936	39.0
130.02437	1.0
137.24307	1.0
141.48909	1.0
145.02954	1.3
161.04561	2.9
163.03989	6.1
176.65933	1.0
183.06537	1.0
187.02441	2.4
205.03508	21.5
223.04587	38.6
223.79704	1.0
329.97580	1.1
365.24765	1.1
392.05215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.8
57.03450	17.2
59.01370	6.0
71.01377	6.3
71.38744	2.4
72.40451	1.4
72.99300	3.5
73.02928	2.4
74.02193	1.4
75.00851	3.9
83.01398	10.3
83.01804	1.6
84.02155	2.5
85.02949	84.3
86.03263	2.0
87.00848	1.4
101.02431	5.8
111.00877	40.0
112.01235	1.6
119.05016	6.1
129.01932	29.3
145.29568	1.4
147.02946	2.5
161.04594	2.2
163.03972	5.6
187.02525	1.4
197.27716	1.4
205.03526	37.4
206.03983	1.7
218.66431	1.4
223.04582	100.0
224.04913	4.1
225.70757	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.6
57.03448	20.9
59.01373	5.2
60.64263	1.7
65.75431	1.4
67.01844	1.6
68.99816	1.7
71.01388	11.5
71.25596	2.0
71.25945	1.7
72.99284	2.8
73.02945	3.5
75.00865	2.2
83.01382	15.3
84.02180	2.5
85.02950	100.0
86.03300	1.8
87.00873	2.5
101.02443	9.4
104.83430	1.7
111.00161	3.1
111.00880	36.3
119.05025	6.7
129.01945	32.2
139.28223	1.4
147.02975	2.9
155.14914	1.6
161.04575	3.6
163.04013	4.9
205.03531	34.5
223.04585	98.1
224.04900	4.3
374.24240	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	367.264
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23962	0.5
71.49230	0.5
71.49623	0.7
81.02818	0.5
96.13490	0.5
99.93645	0.5
133.06572	8.2
134.06950	0.6
143.64880	0.4
149.09718	82.1
150.10023	5.3
151.89796	0.5
152.01010	0.5
182.22948	0.5
194.09424	0.9
205.15961	45.8
206.16322	3.9
256.03555	0.5
295.17065	2.8
296.17429	1.0
328.16785	2.5
343.42740	0.6
367.26401	100.0
368.26758	15.7
374.19919	0.5
393.54343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01106	0.8
59.01364	4.2
66.12953	0.8
69.63500	5.5
69.63900	1.3
71.01385	7.6
72.99306	3.4
73.02943	1.2
75.00865	8.1
75.47542	0.9
78.95888	1.1
83.47643	0.8
85.02946	6.9
87.00870	24.4
89.02405	1.8
90.10110	0.8
92.46948	1.1
98.20622	2.0
99.00857	3.9
100.17999	1.0
101.02427	1.7
102.05584	2.8
105.01928	25.6
111.00864	3.0
113.02444	6.6
115.00407	1.9
117.01926	1.9
123.15986	1.0
126.34930	1.0
126.98845	3.2
127.02515	1.2
128.03555	2.0
129.01938	1.9
133.01422	2.2
135.02977	2.1
144.06593	1.8
146.04613	8.5
147.02977	4.9
148.33868	0.9
154.98355	2.0
165.04031	100.0
165.87262	0.9
166.04335	3.3
184.00139	0.9
184.04663	1.4
195.05061	3.1
196.00012	1.1
223.98895	1.3
282.97815	1.8
309.00259	1.2
351.09058	1.2
369.03903	2.2
369.10349	10.8
370.06073	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29800	1.6
55.01863	4.0
57.03445	18.3
59.01373	2.9
70.19927	6.2
71.01376	8.0
72.99300	3.2
73.02959	2.7
75.00906	2.7
83.01380	11.5
84.02161	5.1
85.02950	100.0
86.03291	2.3
86.42793	1.6
86.98185	1.6
87.00872	2.8
88.46974	1.4
91.51817	1.3
99.00847	2.4
101.02433	7.1
111.00868	30.2
119.05028	9.4
129.01942	36.7
147.02971	2.5
161.04530	5.3
163.04025	9.4
163.05281	1.2
205.03494	23.6
223.04568	60.7
224.04961	4.0
258.63806	1.7
283.63550	1.6
303.89377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01378	5.0
61.46326	0.8
71.01366	1.1
73.60285	0.9
79.49366	0.7
83.04980	1.0
89.02433	2.9
91.04008	12.6
96.95950	1.3
100.74565	0.9
129.56114	0.9
149.06046	3.1
195.13908	9.1
196.14412	1.1
205.12137	0.9
223.13391	5.8
228.13654	1.2
231.82510	1.0
256.13177	1.5
275.20065	4.9
293.21216	100.0
294.21533	12.0
367.20157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67954	0.5
58.78762	0.5
59.01381	7.2
61.65393	0.5
71.01381	0.7
72.27551	0.5
76.16251	0.5
79.54350	0.5
89.02450	3.6
91.04005	12.7
99.19064	0.5
131.07594	0.6
179.14453	1.3
195.13908	7.8
196.14230	0.6
205.15851	0.7
213.84595	0.6
223.13448	5.5
224.13918	0.8
231.21097	0.8
256.13193	2.1
275.20126	6.0
276.20300	0.8
293.21228	100.0
294.21542	11.9
297.02011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2639
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
71.49892	1.1
133.06592	1.3
149.09715	80.3
150.10081	4.4
205.15961	80.0
206.16281	7.2
286.64441	0.7
305.28522	0.8
367.26395	100.0
368.26758	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	367.2024
Annotation	Methoxyfenozide
Peak:m/z	Relative Intensity
56.44819	0.3
59.01381	0.8
60.09967	0.3
75.64998	0.4
91.04010	0.8
105.07087	6.4
121.02970	0.6
122.03673	0.8
132.41963	0.3
145.56506	0.4
146.01370	0.3
146.02478	1.1
149.06075	100.0
150.05304	0.6
150.06419	6.3
165.05594	1.5
190.65947	0.3
195.13867	0.4
204.13936	2.2
205.14153	0.5
238.11778	0.4
275.20111	0.4
293.21210	6.2
294.21347	0.6
311.13989	1.4
319.98834	0.4
367.20239	23.0
368.20551	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	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99341	0.8
57.03440	4.6
59.01374	4.7
61.98839	1.0
71.49627	1.1
77.36494	0.8
96.96030	1.1
97.06573	1.1
97.64254	0.9
113.09723	17.3
114.10042	0.9
121.93068	0.8
139.11278	1.4
144.39131	0.9
151.24890	0.8
167.10780	1.6
177.12859	1.3
179.10768	1.8
195.13889	2.9
249.22229	1.8
293.21222	100.0
294.21567	12.7
295.40353	0.8
342.98657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16076	0.4
57.62008	0.4
59.01365	0.9
67.01894	5.7
70.26308	1.2
72.99319	3.5
83.01398	2.6
85.02954	16.2
99.00894	0.9
101.02453	1.5
111.00884	100.0
112.01221	3.4
117.13574	0.4
121.78619	0.4
125.02449	0.6
129.01945	4.3
134.03749	0.8
154.99875	13.9
173.00912	26.0
174.01271	1.3
193.04913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
62.93031	0.6
64.86594	0.4
67.01890	4.7
70.39285	1.6
71.01380	0.9
72.99319	3.9
73.02946	0.7
83.01379	3.3
85.02946	15.3
86.51357	0.5
99.00911	0.6
101.02451	1.9
111.00875	100.0
112.01239	3.4
129.01918	3.3
134.03738	1.2
154.99857	16.1
173.00893	29.2
174.01219	1.2
191.02048	3.1
205.07152	1.7
221.92276	0.5
232.82669	0.6
385.41458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	2.4
59.01376	3.2
61.98838	1.6
64.98280	0.5
69.03493	1.0
70.22709	0.9
70.23101	1.3
71.01392	0.7
71.33171	0.5
73.02958	0.6
77.04001	1.8
79.01894	0.6
81.03472	0.8
83.01421	2.1
85.02954	1.4
93.03465	1.4
95.01374	0.9
96.96027	1.5
97.02944	2.5
101.02478	0.8
109.02975	1.7
110.95300	0.6
111.00911	1.1
121.02956	4.8
121.06553	0.5
123.00906	0.8
123.69996	0.5
125.02444	8.5
129.01927	0.6
133.03026	0.5
134.03789	0.8
135.04503	0.7
137.02441	24.0
138.02782	0.8
139.03989	0.8
146.03740	7.7
151.04103	1.4
154.04182	0.6
159.04501	0.8
160.05110	0.7
161.09680	0.8
163.00278	0.8
164.01157	7.4
165.01930	79.4
166.02284	3.8
167.04971	0.7
172.05313	16.6
173.05743	1.7
177.01897	2.2
179.03520	3.1
183.04550	0.6
183.08136	1.4
185.06061	5.0
185.74480	0.7
186.06850	5.3
187.07655	5.5
189.09224	0.8
190.02719	1.1
191.03499	0.6
193.05006	0.6
199.07666	8.8
200.04745	1.4
200.08415	6.9
201.09207	100.0
202.09549	7.4
205.12334	0.7
209.06015	0.6
211.04092	0.8
213.09186	0.6
215.07167	0.6
223.07643	0.8
225.05685	0.8
226.06264	1.0
227.07025	0.7
229.08705	3.9
233.08374	0.7
237.05505	0.8
239.10759	0.8
241.08566	1.1
242.09082	0.7
244.07266	0.8
250.06268	0.9
251.07121	1.9
252.07933	0.9
255.10199	0.7
257.11807	0.6
265.08618	1.2
268.07254	1.5
280.11011	0.8
281.11819	3.3
283.09512	1.1
293.51273	0.6
294.08795	1.1
299.12894	2.8
323.12897	7.1
349.10641	0.9
367.11722	20.4
368.12085	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	366.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04061	0.2
62.08899	0.2
70.69598	0.4
105.00908	0.2
116.05068	3.6
132.04504	0.3
159.03230	0.6
160.04031	100.0
161.04395	5.8
204.02997	4.2
205.89276	0.2
231.47809	0.2
314.59213	0.2
366.08267	15.0
367.08655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73086	1.6
59.01374	2.4
61.98830	100.0
68.70473	2.0
85.02965	3.1
88.71015	1.8
99.04524	5.3
100.31504	1.9
105.40358	2.0
109.02982	2.0
115.03983	3.3
121.02959	2.9
125.02473	9.4
129.01933	2.4
135.04553	3.9
136.44659	2.0
137.02419	7.3
143.03506	23.0
149.02405	9.6
164.01131	5.0
164.04767	4.0
165.01971	14.6
172.05334	3.5
175.04010	2.2
179.03468	6.0
187.07651	8.5
201.09216	12.6
210.25873	1.9
223.06120	11.6
229.08676	4.2
323.12885	3.4
326.91946	2.2
366.10620	5.2
367.11636	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	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11488	0.8
59.01376	1.9
59.77099	0.8
61.98828	100.0
66.98224	0.8
68.76607	0.9
69.96897	2.5
89.02412	0.9
98.58146	0.8
125.02452	1.4
147.66454	0.9
161.67546	0.9
164.01152	1.2
165.01895	2.0
174.01675	2.1
267.99442	1.0
367.11746	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	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51407	0.4
54.67975	0.4
57.03440	1.4
57.30037	0.4
59.01379	3.7
79.84570	0.4
80.96544	0.4
81.91978	0.4
83.05017	0.6
85.02887	0.4
85.80817	0.4
85.84863	0.4
91.03996	0.7
91.72722	0.4
95.05008	1.0
96.95992	1.3
97.06600	0.4
98.19911	1.5
109.06583	0.8
111.08162	9.5
113.09699	0.5
125.52802	0.4
137.09694	1.0
151.15501	0.4
167.10756	2.1
177.12827	2.5
179.10727	1.9
195.13878	7.0
196.14243	0.5
203.14409	0.6
222.95049	0.5
247.20589	2.2
273.18509	2.0
291.19653	100.0
292.20010	12.3
357.12018	0.5
365.23532	0.9
379.29703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01372	4.1
69.71112	0.6
71.50295	0.7
80.96516	1.1
83.05043	1.3
91.04001	1.2
95.05045	1.0
96.96012	1.6
111.08150	8.2
121.10197	1.2
137.07956	0.7
137.09705	0.8
140.46674	0.6
162.80054	0.8
167.10756	2.3
177.12837	2.6
185.11807	1.5
195.13896	6.2
203.14415	0.8
247.20589	1.5
273.18491	1.5
291.19653	100.0
292.19998	13.6
331.75009	1.0
365.19611	0.9
365.23743	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	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	68.3
70.97788	59.6
70.98122	47.6
71.75340	34.3
72.86359	32.2
78.51749	35.6
87.90131	42.6
90.75488	35.7
127.83472	35.7
151.02142	46.7
164.81601	34.2
205.97659	38.0
246.54916	39.2
285.50687	44.9
365.34207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96592	1.2
54.52330	1.4
57.03449	24.2
58.70533	1.5
59.01385	1.9
61.98832	1.8
62.81351	1.5
69.50937	7.5
74.95514	1.4
81.03455	81.2
82.03778	1.7
83.01382	9.6
84.61491	1.5
94.41490	1.7
95.94407	1.4
98.19946	3.2
125.02443	28.3
137.38959	1.5
167.89235	1.6
310.42212	1.5
335.92932	1.9
363.07953	1.6
365.26950	100.0
366.27295	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27375	5.4
61.98830	100.0
67.66485	4.8
69.25596	50.7
85.11048	5.4
98.19944	13.7
116.77850	5.9
121.02933	7.1
132.50996	5.4
150.94995	6.1
296.53851	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	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16682	6.0
53.96844	6.3
55.98429	5.6
59.75515	5.4
61.20605	5.5
61.98833	100.0
64.79481	5.7
68.95795	6.6
70.14757	23.6
228.93153	7.2
240.83298	6.9
327.66968	6.3
329.31766	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0875
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01361	3.3
61.98820	1.5
69.22025	8.2
71.01369	2.6
83.05074	1.0
83.64426	0.9
85.02955	3.3
96.95974	0.9
111.04520	1.0
113.06087	10.5
119.05006	5.4
129.05547	1.0
130.28477	0.9
157.05055	2.2
158.03729	13.8
159.04561	6.4
163.03979	3.6
171.04541	2.2
173.04529	1.3
201.04018	28.0
201.05579	2.1
202.02702	100.0
203.03224	8.6
213.05551	2.1
219.05087	8.7
231.06624	1.5
275.05634	1.7
307.66119	0.8
365.08716	38.0
366.05142	1.0
366.08884	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	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
53.33913	0.4
58.67698	0.3
59.01378	1.0
61.98829	2.8
66.50510	0.3
67.52216	0.3
69.77412	1.8
71.01380	0.6
73.02950	1.0
75.54035	0.3
80.40249	0.4
83.04985	0.3
85.02946	0.5
85.33227	0.3
113.06068	0.7
127.03988	0.4
142.05054	0.4
145.02969	1.0
147.04486	0.6
157.02957	0.5
158.03731	14.8
159.04521	6.7
160.04918	0.6
171.04523	2.4
173.06085	0.4
179.07033	0.5
184.05156	0.4
185.06064	0.6
201.02045	0.7
201.03944	2.7
201.05655	2.4
202.02715	100.0
203.03195	9.4
213.05566	2.8
215.03374	0.5
219.05078	0.9
227.03468	0.8
231.06595	1.0
245.04599	1.1
275.05585	1.6
275.45468	0.3
365.08746	41.1
366.08929	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	363.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58824	1.2
59.01370	4.9
68.18562	1.2
71.38427	1.8
73.71835	1.5
79.52616	1.3
81.03458	18.3
83.05031	9.0
93.03452	5.7
109.02946	6.7
111.04519	64.3
112.04835	3.7
119.05036	11.8
120.08753	1.2
127.04010	100.0
128.04324	4.3
137.02455	6.6
145.11938	1.2
155.03503	75.8
156.03854	5.1
163.04001	8.9
199.02489	40.0
217.03497	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	363.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87254	2.0
59.01355	3.1
59.93436	2.2
69.56067	9.6
69.56489	5.8
71.01216	2.0
72.99294	4.7
76.65891	2.2
81.03445	14.3
83.05028	12.6
93.03438	3.4
98.20553	3.0
98.49622	2.2
109.02957	7.0
111.04526	57.7
112.04846	3.8
115.03960	3.3
119.05022	19.7
127.04015	100.0
128.04314	3.9
137.02435	5.9
155.03493	79.4
156.03809	3.8
163.03998	9.8
184.56166	2.2
199.02486	55.7
217.03523	52.2
218.03746	3.3
261.87216	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02042	0.9
59.01369	3.9
61.19004	0.9
69.58417	5.3
81.03460	17.6
81.58404	0.9
83.01400	1.4
83.05019	11.9
89.88786	0.9
90.61298	0.9
93.03464	5.2
93.40310	0.8
109.02950	5.7
111.04520	64.4
112.04856	3.1
119.05022	13.1
120.05285	1.2
127.04007	100.0
128.04373	4.0
132.93459	0.9
137.02417	7.3
155.03500	77.3
156.03802	3.3
163.03989	12.1
186.12997	1.0
199.02472	40.7
200.02888	1.4
217.03513	9.5
254.77359	1.0
317.90414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	6.2
59.01376	100.0
61.98813	8.8
62.36834	2.0
67.09259	2.2
71.01350	2.6
71.52506	2.8
73.02938	4.8
74.99712	2.2
75.49042	2.3
81.03448	3.1
85.02943	2.5
92.05054	8.4
96.95971	3.3
103.07130	2.4
111.04497	9.1
118.06606	5.8
119.05009	4.3
127.04017	18.0
128.05075	4.3
131.02827	3.9
131.03773	34.4
134.92474	2.2
137.02437	3.9
144.04526	41.9
145.05235	3.5
146.06111	64.8
150.05571	6.3
155.03477	13.6
158.06088	5.9
160.03996	3.4
163.03954	3.3
170.05948	2.9
172.04088	4.4
178.05121	2.8
182.06046	5.0
184.07632	8.7
184.76337	2.3
190.05083	44.5
191.05362	2.8
195.28105	2.5
199.02464	7.3
217.03552	2.7
229.14418	46.5
249.08745	18.7
304.11691	4.5
363.11932	4.4
363.20169	4.0
363.30246	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	362.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56340	1.5
59.01372	9.9
61.98840	2.9
70.25557	3.9
70.25936	3.5
71.01382	2.6
73.02962	2.8
81.03445	7.5
83.05018	6.7
86.02477	4.0
93.03493	2.6
96.47099	2.1
96.96014	3.2
96.96965	1.8
104.03540	74.7
104.04256	3.6
109.02968	4.2
111.04514	27.1
111.08053	1.7
119.05032	15.8
125.02466	3.7
127.04010	45.6
130.01460	44.7
135.04507	4.2
136.04019	1.6
136.07510	1.8
137.02455	4.3
148.50215	1.9
149.06126	2.9
151.07680	2.5
155.03511	33.5
158.03667	2.0
159.04605	2.4
163.04010	10.5
169.01447	2.2
172.05298	8.1
173.06049	5.4
178.05109	3.5
181.92233	1.6
183.04453	1.8
187.04053	5.1
187.07642	100.0
188.08009	8.8
199.02446	11.7
199.04002	3.2
200.04575	2.5
201.05545	9.6
202.06355	21.2
203.06807	1.9
203.10828	1.6
204.04109	3.3
212.07094	7.6
212.59734	1.6
213.09184	3.2
215.07086	10.9
217.03528	6.6
227.03502	8.2
228.04198	2.6
229.08591	1.9
230.08232	1.9
231.06711	7.6
231.10242	24.9
239.07259	1.8
256.09735	17.7
257.08115	17.6
318.09830	28.0
319.10168	2.5
344.11353	13.2
351.84375	2.1
362.12491	17.8
362.22769	4.1
363.07306	3.0
363.11487	2.3
363.23764	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	363.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.6
65.04002	1.6
71.01376	3.4
71.21886	1.4
71.28608	2.9
72.99313	4.8
73.02967	2.0
79.95746	1.8
81.03461	17.0
83.05027	13.7
93.03436	5.4
96.96006	3.4
100.38609	1.5
101.02429	1.8
105.01945	6.1
109.02951	5.8
111.04525	72.2
112.04836	2.8
115.04019	2.7
119.05031	48.1
120.05344	3.5
127.04015	100.0
128.04358	3.5
129.05568	2.6
137.02448	13.6
145.02925	2.0
155.03503	89.8
156.03813	5.0
163.02745	2.7
163.04008	34.0
187.07655	4.4
199.02486	30.2
217.03488	24.0
217.05363	1.9
218.03845	1.9
236.97130	1.5
257.08136	4.2
363.07181	7.3
363.11160	3.4
364.07147	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	361.1652
Annotation	Secoisolariciresinol
Peak:m/z	Relative Intensity
57.03444	0.4
59.01371	2.1
70.65340	0.6
71.01373	1.1
72.99299	0.5
73.02927	0.6
85.02951	0.8
87.00867	0.4
89.02408	0.4
93.03468	2.6
95.04990	0.5
96.95994	0.3
103.51855	0.3
104.03555	0.3
107.05053	0.4
108.02169	1.2
109.02951	7.1
111.00851	0.4
116.37481	0.4
119.05012	1.0
121.02956	22.6
122.03754	13.8
123.00854	0.5
123.04554	3.3
124.01659	2.1
129.03427	1.4
134.03731	1.0
135.04532	12.6
136.01662	0.7
136.05261	1.0
136.07588	0.4
137.02452	5.0
137.06041	0.5
145.02925	0.5
146.03749	1.7
147.04517	9.4
148.05241	1.4
149.06076	4.6
150.03146	1.0
150.06480	0.4
151.04030	0.8
153.01949	1.0
154.02715	3.8
159.04471	0.7
160.05269	0.7
161.06065	6.8
162.06841	0.6
163.04016	2.4
164.04764	1.1
165.05563	25.7
166.05928	1.7
167.07085	1.1
169.77931	0.3
173.06033	0.6
175.07660	1.5
176.03424	0.6
177.05647	0.5
178.06360	0.5
179.03505	0.8
179.07133	11.9
180.07906	16.1
181.08482	1.1
182.05791	1.2
187.07794	0.5
190.06374	0.8
191.07164	1.9
192.07893	2.6
193.04970	0.7
193.08673	2.1
194.05853	3.0
194.09438	0.6
195.06561	1.8
195.10332	0.5
199.05133	0.4
205.08641	0.5
208.07349	0.6
209.08173	2.1
212.06935	2.3
223.09764	1.2
226.08490	1.2
254.05893	0.6
269.08099	0.3
285.11340	0.6
297.11319	1.3
298.12039	1.2
301.10764	0.5
313.10779	3.3
313.14490	1.1
315.12357	3.4
316.13159	2.2
317.13654	0.8
328.13141	2.7
329.13388	0.6
331.15460	8.5
332.15768	1.4
343.15506	5.3
344.15686	0.7
346.14194	9.2
347.14423	1.0
361.16562	100.0
362.16827	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	361.1652
Annotation	Macrocalin B
Peak:m/z	Relative Intensity
59.01384	1.3
60.98435	0.3
68.99641	0.2
71.01382	0.7
71.51612	0.3
79.74625	0.2
81.03506	0.2
83.05025	0.3
85.02970	0.4
87.04515	0.3
93.03458	4.1
96.96001	0.4
97.05499	0.2
108.02189	1.2
109.02950	8.2
111.04535	0.7
119.05021	1.3
121.02957	29.2
122.03748	20.2
123.00867	0.3
123.04588	3.1
123.08117	0.2
124.01665	2.2
129.03479	2.0
134.03766	1.3
135.04520	5.5
136.01659	0.3
136.05341	1.8
137.02444	4.4
137.06065	0.4
138.03043	0.2
146.03719	1.3
147.04521	11.5
148.05229	1.4
149.06061	2.5
150.03239	0.8
151.04001	0.6
153.01941	0.4
154.02731	3.3
159.04488	0.7
160.05276	0.9
161.04744	0.2
161.06070	5.5
162.06744	0.8
163.04015	1.4
164.04793	1.0
165.05565	33.6
166.05876	1.6
167.07114	0.4
168.04283	0.3
173.06096	0.9
174.06934	0.2
175.07674	0.8
176.08476	0.3
177.05551	0.6
178.06326	0.9
179.07129	13.2
180.07887	3.9
181.08353	0.3
189.09218	0.3
191.07159	1.1
192.07930	0.8
193.08720	1.0
194.05814	0.6
195.06584	0.5
199.05093	0.4
208.07413	0.4
209.08154	1.3
212.06886	0.5
223.09726	1.5
283.09879	0.5
285.11249	0.6
297.11365	0.6
298.12054	1.1
299.12759	0.2
301.10883	0.8
312.09851	0.3
313.10941	0.6
313.14514	1.6
315.12360	3.5
316.12991	1.2
328.13138	0.9
331.15424	2.8
332.15973	0.4
343.15527	1.6
345.13403	0.4
346.14163	10.0
346.38174	0.2
347.14624	1.3
361.16544	100.0
362.16840	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	361.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81897	1.4
55.96783	1.5
59.01373	14.8
66.63838	1.5
70.50675	5.3
71.01376	3.5
72.99297	2.3
73.02951	2.4
73.49884	2.2
87.70700	1.5
92.05054	2.2
95.03730	1.9
95.05034	1.7
96.96024	2.5
98.20554	1.7
100.06059	1.6
101.02439	3.4
104.03484	1.6
105.94091	1.5
108.02177	9.6
109.02973	1.8
109.06493	1.7
110.06146	4.0
111.00908	2.0
113.02402	2.1
116.05051	2.2
121.02928	1.9
121.05329	2.5
122.06107	16.7
123.00895	12.4
123.04515	5.2
124.01637	7.3
125.02454	10.6
132.04506	2.9
133.89368	1.9
139.00363	1.8
140.57219	1.7
144.04541	9.9
145.05341	17.0
146.06129	11.4
147.00880	2.9
147.03177	1.8
148.04010	3.2
159.03275	3.2
160.04039	59.7
160.05363	3.3
161.04825	29.5
162.05518	4.8
163.03996	2.0
176.03496	11.6
177.04311	8.7
177.55736	1.6
188.03575	3.5
189.04305	75.4
190.04753	5.8
192.03008	3.8
193.03796	22.0
194.04105	1.9
203.05788	2.2
220.06113	3.1
221.03294	19.8
221.06886	21.9
231.11348	2.5
243.11365	6.6
253.05766	7.5
255.11372	15.7
256.11710	2.8
257.04404	1.7
265.65701	1.6
267.11374	34.4
268.11765	3.1
272.06705	3.4
283.10815	3.7
285.12329	4.6
287.09308	3.7
287.13931	3.0
299.10376	16.8
300.10809	2.2
311.10397	46.7
312.10663	6.7
316.06137	2.1
317.14777	2.2
329.11386	15.0
331.08154	27.3
331.12927	22.2
332.08484	4.2
343.12952	100.0
344.13315	11.3
361.09259	18.0
361.14020	27.2
361.22070	10.1
362.09497	3.4
362.14044	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95281	0.8
57.03450	4.4
59.01385	3.7
65.03978	2.0
70.03793	3.8
71.01384	0.9
79.95750	1.3
80.33960	0.8
83.05031	4.3
87.00877	6.0
93.03418	0.8
95.05043	1.0
96.96011	68.2
108.04520	1.2
111.04501	3.5
111.08147	1.8
121.06580	3.2
123.08170	13.3
124.05273	0.7
136.33704	0.7
137.09705	2.4
139.07626	2.7
145.10175	1.8
151.07645	1.7
153.09160	1.5
161.04797	1.2
163.11282	1.1
169.08708	1.3
169.10199	1.6
171.11798	14.9
172.12129	1.6
189.12854	5.0
198.99986	2.6
200.07233	1.2
201.12883	4.8
207.13881	3.5
219.13940	2.3
230.11797	1.2
237.12782	1.4
237.14970	14.5
238.15240	1.1
255.11278	0.8
273.12433	0.9
281.09280	0.9
281.13934	21.8
282.14331	2.1
317.11185	1.7
351.72821	0.8
361.09607	100.0
362.09915	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	361.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40633	1.2
59.01385	5.9
59.26062	1.2
65.67496	1.2
67.01886	1.2
68.99785	1.3
69.37894	9.6
71.01379	3.6
73.02932	1.3
83.05016	1.3
85.02956	2.2
89.02432	3.7
90.34331	1.3
98.19928	2.4
99.00864	1.5
101.02437	3.5
107.90468	1.1
108.04569	1.5
110.06120	5.3
113.02415	1.7
118.06615	1.8
119.03579	1.3
121.05375	2.6
122.06120	16.6
125.02428	1.6
131.03748	1.8
132.04538	2.8
134.06068	1.4
137.02458	1.6
144.04552	6.2
145.05336	20.2
146.06113	10.9
147.03300	1.7
148.04036	3.4
152.03508	1.5
157.47217	1.3
159.03235	5.7
160.04037	68.0
161.04820	34.7
162.05461	4.4
164.03484	2.0
175.02774	1.2
176.03477	11.0
177.04298	11.5
177.53894	1.2
188.03529	4.3
189.04301	81.3
190.04793	8.2
192.03018	2.9
193.03781	15.9
194.04225	1.8
194.06012	1.3
203.05782	3.6
215.07013	1.4
220.06093	1.5
221.03329	18.9
221.06866	23.7
222.03636	1.7
222.07385	1.7
225.06462	1.3
231.11348	3.2
237.06908	1.2
243.11389	6.5
248.25655	1.2
253.05882	9.3
255.11365	20.3
256.11816	1.7
267.11362	34.7
268.11572	3.4
271.10663	1.5
274.48132	1.1
283.10791	4.1
285.12375	4.0
299.10355	18.2
300.10464	2.3
301.07098	2.3
311.10345	48.2
312.10620	5.4
329.11386	17.4
330.11310	1.3
331.12994	27.5
332.13220	2.2
343.12964	100.0
344.13287	13.6
361.10095	2.3
361.14160	19.2
361.22433	2.0
362.14410	2.5
364.72601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81043	0.6
58.17900	0.6
59.01376	1.1
61.98816	1.7
71.49303	1.3
85.95705	0.7
86.22655	0.7
94.02982	38.5
95.03346	1.1
96.95998	0.9
123.00859	1.4
125.02465	0.9
138.01967	100.0
139.02330	3.4
143.90709	0.7
153.01901	1.2
154.02304	0.8
361.09613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55835	0.7
57.03455	4.8
59.01380	4.2
65.03954	1.1
69.37264	3.9
69.37672	1.6
79.95747	1.6
83.05040	4.8
87.00852	4.9
88.03970	0.8
95.05048	1.5
96.96009	65.0
111.04504	2.6
111.08182	1.5
113.06106	1.0
119.08698	0.9
121.06582	2.9
123.08164	13.1
124.05280	1.1
135.08083	0.7
137.06033	0.9
137.09679	1.8
139.07643	2.2
145.10246	2.4
151.07574	1.3
153.09213	1.3
169.08757	1.0
169.10176	1.3
171.11781	17.5
172.12128	1.4
189.12808	5.3
198.99950	1.5
201.12848	4.8
207.13815	3.8
219.13797	1.7
237.14935	16.0
238.15210	1.8
281.13928	24.5
282.14221	2.3
299.98694	0.8
361.09601	100.0
362.09937	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24904	0.6
50.82077	0.6
57.03445	4.1
59.01369	2.1
67.54622	0.6
82.11252	0.7
83.05013	4.6
87.00872	4.9
95.05012	1.4
96.96011	59.8
97.02925	0.8
103.78989	0.9
111.04506	1.7
111.08165	1.8
121.06586	2.6
123.08166	12.9
124.08517	1.1
137.06128	0.7
137.09761	1.0
139.07651	2.1
145.10223	2.0
149.09738	1.0
151.07669	1.2
153.09207	1.6
169.08742	0.9
169.10193	1.1
171.11815	15.0
172.12097	1.3
189.12801	4.9
198.99940	1.7
201.12874	4.1
207.13908	3.9
219.13885	2.1
237.14958	14.0
238.15239	1.1
259.66357	0.7
281.13959	19.9
282.14362	1.9
297.59302	0.7
321.78986	0.8
361.09604	100.0
362.05637	0.8
362.09839	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
57.03439	1.6
58.00599	2.2
59.01381	100.0
69.46349	3.6
69.46770	3.8
71.01384	56.8
72.99319	4.2
73.02953	4.0
83.01391	2.9
83.22837	1.1
85.02955	14.6
85.41962	1.0
87.00879	4.1
87.52596	1.1
89.02445	62.2
90.02811	1.3
95.01402	4.2
99.00943	1.6
101.02446	31.1
113.02454	22.0
119.03509	23.8
121.02979	2.3
122.03745	2.7
123.04514	1.3
131.03519	2.6
135.04515	1.2
137.02440	3.5
143.03505	2.7
146.03737	16.1
149.04579	1.4
153.05600	2.8
159.07771	0.9
161.04723	1.5
161.06070	5.6
164.04800	11.5
179.05612	3.6
179.07121	30.9
180.07506	3.5
181.01491	2.1
182.02246	2.4
182.05833	7.7
194.45200	1.1
196.03879	1.1
197.04555	19.8
197.08203	20.0
198.08464	1.2
211.06131	4.1
224.03212	1.2
239.05647	11.4
269.06747	1.1
299.07642	2.5
344.07315	1.8
359.09781	27.0
359.13651	6.2
360.10382	4.8
361.07382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08271	1.2
55.01873	4.0
57.03445	3.1
58.00586	2.6
59.01378	64.5
69.91327	6.5
71.01383	55.0
72.99309	3.5
73.02938	10.5
74.12033	1.1
83.01397	6.0
85.02954	21.5
87.00871	4.0
89.02451	26.9
95.01380	5.3
99.00882	4.8
101.02446	35.5
109.02931	1.5
113.02439	21.0
114.02804	1.3
119.03511	10.6
121.02962	6.8
122.03754	15.4
123.00883	1.5
123.04534	7.6
129.45227	1.3
131.03427	2.3
135.04544	2.0
136.01642	1.4
137.02406	4.8
137.06081	2.3
138.03226	1.6
153.01942	1.5
153.05533	3.2
154.02643	1.6
159.03035	1.3
161.04521	7.0
163.03969	2.7
164.04826	2.9
179.05673	1.4
179.07074	5.5
181.01431	3.1
182.02255	3.6
182.05840	35.5
183.06171	2.7
195.06520	2.3
196.03729	1.7
197.04550	24.3
197.08180	100.0
198.08539	6.9
211.06128	4.2
224.03149	1.5
225.60301	1.4
239.05589	11.7
269.06519	1.3
278.26328	1.2
299.07709	3.2
327.10764	4.9
344.07611	1.5
359.09702	29.4
359.13516	35.0
360.10104	6.0
360.14197	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01369	2.5
59.79691	0.6
64.78429	0.5
70.68601	1.2
71.01376	2.4
78.49570	0.5
85.02979	0.7
89.02437	1.0
95.01375	3.3
101.02415	1.1
102.06548	0.5
104.44733	0.6
113.02434	0.9
123.00881	40.2
124.01219	2.0
128.21706	0.6
137.02443	1.2
138.03223	49.5
139.03554	1.7
153.04344	1.0
153.05565	18.2
154.05945	1.1
155.03496	0.6
166.99850	10.4
182.02209	38.8
183.02507	1.7
189.93022	0.6
197.04546	100.0
198.04890	5.8
239.05621	1.6
359.09763	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.94205	0.4
57.03436	3.0
59.01379	5.5
61.98819	1.4
65.00317	2.1
65.03980	0.6
67.01886	1.4
68.99814	3.2
69.44610	1.6
69.45030	2.1
71.01384	3.7
72.00902	0.7
72.99297	0.6
77.55450	0.5
81.03458	2.0
83.01385	18.3
85.02951	2.2
87.00903	0.7
89.02447	1.7
91.01855	0.6
94.02981	5.7
94.23197	0.5
97.02936	0.7
97.66439	0.5
101.02457	2.2
107.01399	3.2
109.02967	7.6
111.00895	1.7
113.02445	1.7
119.03503	1.4
121.02938	1.0
123.00920	3.5
123.04534	1.1
125.02450	38.0
126.02802	1.6
132.96187	0.5
134.04726	0.5
135.00891	0.7
135.04518	1.6
137.02368	0.7
138.01965	16.1
138.03212	4.0
139.03961	1.5
140.01181	0.6
141.89049	0.5
149.02411	3.8
150.99178	1.1
151.00369	16.6
151.03961	0.5
153.01933	100.0
153.05377	2.4
154.02290	4.4
161.04517	0.5
166.99895	0.8
167.03534	2.7
169.01436	0.8
177.01927	2.7
178.02373	0.6
178.99846	4.1
182.02191	2.8
195.03017	1.9
197.00922	0.7
197.04533	11.8
197.08191	1.0
198.04959	1.0
211.06075	0.7
239.05611	1.6
287.07721	0.9
305.12192	0.6
315.07208	9.6
341.05023	1.4
359.06146	9.2
359.09894	5.4
359.13443	1.1
360.06195	0.9
360.10147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01877	2.1
55.33387	2.1
56.44586	1.7
58.00602	3.1
59.01377	100.0
62.61213	1.8
70.80626	4.2
70.80970	2.0
71.01380	60.3
72.01721	2.1
72.99308	3.7
73.02946	6.2
82.93823	1.9
83.01373	5.0
85.02264	1.5
85.02483	1.9
85.02946	16.9
87.00890	3.4
88.24768	1.7
89.02435	42.0
91.34396	1.7
95.01375	5.2
99.00857	3.7
100.01253	1.9
101.02434	32.3
111.36401	1.7
113.02438	20.9
114.43989	1.8
119.03484	12.5
121.02974	11.9
122.03735	6.9
123.00874	5.2
123.04515	3.8
131.03471	2.0
137.02431	7.4
138.03221	3.2
139.00345	3.9
139.03920	2.6
143.03490	2.7
153.01901	3.3
153.05588	13.5
155.55573	1.8
161.39529	1.7
165.01874	2.4
166.99821	4.6
179.07117	3.5
180.04240	3.0
181.01331	4.7
182.00760	1.7
182.02185	11.8
182.05792	14.8
195.06659	4.8
196.03802	4.5
197.04546	65.7
197.08194	44.3
198.04868	5.2
198.08492	4.5
208.29448	1.8
211.06102	11.9
224.03340	2.8
239.05577	36.1
240.01015	2.0
240.05847	2.4
269.06616	3.7
299.07828	8.6
305.75800	2.2
344.07355	3.0
349.36343	2.3
359.09753	94.0
359.13486	10.1
360.10165	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	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88808	1.0
59.01377	94.6
60.01711	1.6
61.98832	22.4
71.21330	1.2
71.50774	2.1
72.99305	7.6
73.02957	5.5
91.83858	1.2
94.92101	1.1
117.00441	5.4
118.96602	1.1
132.98276	2.0
156.99901	3.9
157.03514	1.9
159.01511	6.4
161.98958	1.4
174.99286	24.8
175.99585	1.3
198.91971	1.2
198.99481	4.5
201.02559	24.6
202.02727	5.1
203.02330	2.8
203.99997	4.8
215.04099	4.8
216.04341	1.6
217.00311	100.0
217.03772	5.0
217.97893	3.1
218.00937	4.0
231.00574	1.4
232.98531	6.8
233.98566	1.6
256.98633	2.5
257.98657	1.4
259.01602	4.0
273.01648	6.2
274.01770	2.4
274.99582	32.9
275.24167	1.2
275.99622	9.4
298.99777	2.6
311.87854	1.2
315.02878	2.1
317.00616	55.3
318.00812	14.7
326.66891	1.3
341.00784	2.1
359.01657	74.8
360.01868	23.9
361.23026	1.2
371.01718	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33730	3.8
59.01378	100.0
61.98820	7.8
83.01392	4.6
91.11589	4.0
98.19851	9.3
109.02944	10.4
121.02954	40.6
122.03721	5.1
125.02456	8.2
137.02437	27.4
138.03220	6.3
150.03217	54.8
151.03751	5.9
151.93385	3.7
164.01050	4.0
165.01942	15.7
166.02617	4.1
177.09232	10.6
179.03508	5.9
223.13423	4.5
245.58191	4.1
357.06158	9.5
357.13400	18.3
357.26450	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53522	2.3
59.01381	100.0
61.98833	3.7
66.19176	2.2
71.08897	2.9
71.09219	4.5
109.02966	6.9
121.02959	23.5
150.03235	4.1
165.95547	2.3
169.40599	3.2
210.27606	2.5
223.13477	3.9
357.06085	7.2
357.13348	4.7
357.26593	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2647
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
59.01384	0.9
61.98816	0.5
69.03429	0.5
71.50930	0.7
76.43746	0.5
76.93779	0.4
83.01392	1.2
87.65849	0.5
88.27923	0.4
93.03450	0.7
109.02945	2.0
121.02943	2.6
125.02403	0.7
137.01456	0.9
137.02444	10.4
151.04034	0.6
156.54550	0.5
184.80533	0.5
203.97005	0.4
214.86082	0.5
215.56712	0.5
225.05534	0.7
279.23297	1.4
291.23306	4.5
292.23883	0.6
293.24521	0.5
296.95126	0.6
297.24310	2.3
309.24347	1.8
321.24194	0.5
325.23764	1.4
327.25397	21.0
328.25735	2.5
339.12219	0.5
339.25372	4.2
355.24899	1.1
357.13641	5.3
357.26443	100.0
358.13684	1.1
358.26770	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	358.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.7
59.01390	4.4
63.10099	0.5
69.82286	0.6
69.82558	2.8
71.01383	2.9
71.29627	0.5
72.99295	0.8
85.02966	2.3
87.00864	0.5
101.02447	1.2
108.02170	1.6
108.08193	100.0
109.02963	0.6
109.08529	4.6
113.02434	1.9
120.08212	2.7
132.08171	1.5
134.06131	0.8
137.02458	0.7
147.03247	1.3
148.07681	2.0
151.03935	0.6
152.07169	78.6
153.07516	3.5
164.07176	1.3
166.08722	16.9
167.09009	1.1
170.04364	0.5
176.07185	0.8
179.03362	0.6
194.08212	9.4
196.06137	60.2
197.04819	0.9
197.06453	4.0
197.11687	0.8
211.13242	1.1
213.14978	0.9
227.04666	0.9
238.07184	8.6
241.14481	4.1
242.56194	0.5
243.07651	2.2
251.12773	1.2
298.09286	5.9
317.19824	0.8
344.12479	0.6
344.73914	0.5
358.11572	6.4
358.26169	1.5
359.08496	2.7
359.16760	0.6
359.20761	1.2
359.24429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
57.03444	2.8
59.01356	2.2
60.87944	1.8
63.73504	1.9
70.65368	1.8
70.94244	4.3
81.03439	2.0
83.01417	3.3
93.03435	2.7
95.01366	2.2
95.05015	3.2
97.02959	5.7
105.03694	1.9
109.02972	3.6
113.16523	1.9
121.02936	7.0
122.03752	19.1
124.01669	3.6
125.02458	13.5
126.07410	1.6
134.06059	2.3
135.04509	3.4
137.02443	46.8
138.03140	2.2
139.03975	1.7
143.15292	2.1
148.05313	15.2
150.03249	2.3
151.03929	2.5
151.60783	1.7
154.02734	4.4
159.04504	2.7
161.06003	2.0
162.03349	1.8
164.01132	17.0
165.01933	57.4
166.02312	3.1
177.09209	23.6
178.09517	3.7
179.03490	31.6
180.03894	2.3
199.07524	2.7
201.05589	3.6
202.06306	2.3
204.04320	2.3
219.10187	2.6
241.08626	2.1
244.07373	4.0
271.13452	4.0
273.11261	3.4
288.06491	11.7
313.14621	14.7
357.13422	100.0
357.16742	3.9
357.26251	6.9
358.13571	11.6
358.26956	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	357.1343
Annotation	Saururin A
Peak:m/z	Relative Intensity
51.98130	1.0
54.24996	0.9
56.68789	0.9
57.03450	5.0
59.01370	2.2
69.03445	1.4
71.01332	0.9
78.67539	0.9
81.03458	3.4
81.12483	0.9
81.65657	1.0
83.01381	6.3
85.48047	0.9
88.04047	1.8
93.03436	2.3
95.01392	1.9
95.05013	7.4
97.02959	8.3
97.04847	1.0
98.20675	2.2
102.32863	1.0
107.05016	1.5
109.02963	7.4
111.04546	1.5
113.06094	1.7
121.02967	8.0
122.03747	13.7
123.04608	2.3
123.08025	1.0
124.01695	1.6
125.02446	16.2
135.04518	4.8
137.02441	38.8
138.03131	3.2
139.03989	2.7
146.03748	1.1
147.04485	2.7
148.05290	1.7
150.03270	5.4
151.03996	5.1
154.02724	2.9
159.04498	8.2
161.02429	2.1
161.06033	1.2
164.01163	16.3
164.02463	1.8
165.01923	26.7
166.02571	1.2
167.03516	6.0
170.02264	1.3
172.05246	1.4
173.06050	2.2
174.87154	0.9
175.07639	3.6
177.05659	1.4
177.09210	50.0
178.09581	2.8
179.03490	35.5
180.13885	1.8
181.05074	4.2
187.04016	1.6
187.07539	1.1
189.09232	6.3
191.10797	3.1
193.12239	1.1
199.13313	1.0
200.04733	1.0
201.05551	4.9
201.09171	3.4
202.06345	3.6
204.04263	2.3
213.05693	1.3
213.09224	4.5
214.09947	1.3
215.07120	3.0
217.08656	1.9
218.09233	1.0
219.10234	4.2
219.44225	1.0
220.07365	1.6
225.05452	1.6
227.07028	1.2
227.10741	2.3
228.11256	1.1
229.12405	2.0
230.09386	1.3
243.10144	1.6
244.07368	4.4
255.10223	5.5
256.11111	2.3
271.13379	7.1
273.11273	7.5
288.06378	4.2
289.14279	2.1
299.08853	1.0
313.14444	21.4
314.15109	4.0
339.12619	1.3
342.11111	1.6
357.13406	100.0
357.22742	3.1
357.26343	5.7
358.13794	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0614
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.47310	0.6
57.86312	0.5
68.98550	0.4
71.00423	0.7
71.00755	0.7
84.58752	0.5
90.84084	0.5
121.02954	100.0
122.03272	3.9
125.02425	0.5
165.01907	1.5
180.05823	1.2
181.06587	6.5
182.06822	0.7
196.92874	0.5
225.05586	5.8
276.88651	0.6
313.07141	9.1
314.07367	1.0
357.06143	31.4
358.06342	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	357.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60197	0.4
59.01376	4.5
69.03471	0.4
69.56570	2.8
71.01384	2.1
73.02969	0.8
75.00838	0.4
78.75291	0.4
79.01814	0.4
81.03471	1.1
85.02953	3.6
87.00871	0.6
91.84874	0.4
93.03466	0.8
95.01398	1.8
98.02453	0.5
101.02443	1.5
108.02175	100.0
109.02984	28.8
109.04050	0.5
110.03288	0.9
113.02463	1.4
121.02954	1.3
123.00896	1.7
123.04537	1.8
125.02470	0.8
133.02963	0.7
135.04510	1.8
150.06853	1.0
151.03998	1.6
151.07669	0.8
152.01155	60.0
153.01955	20.1
153.05487	2.1
154.02254	0.5
161.04578	0.8
163.04083	1.1
165.01917	1.6
176.90446	0.4
195.05048	0.5
195.06677	0.5
225.04109	0.6
226.05286	0.4
297.06247	0.5
315.07346	1.3
357.08252	55.5
358.08661	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	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28642	1.0
53.51544	0.9
57.03450	5.9
59.01353	1.4
59.27583	1.0
61.98824	1.1
66.44674	1.0
68.26456	0.9
69.39059	7.6
71.01390	1.2
72.54311	0.9
72.99297	1.4
80.88052	0.9
81.03439	3.4
83.01384	4.4
93.03439	1.9
95.05025	4.8
97.02945	3.9
108.02126	1.4
109.02928	3.3
114.28197	1.0
121.02956	100.0
122.03724	4.7
123.04489	3.5
125.02448	25.0
135.04498	2.5
136.01636	2.1
137.01450	2.0
137.02441	22.1
138.02834	1.3
139.03947	1.7
148.05258	3.9
148.55507	1.0
150.03220	2.8
159.04485	2.1
162.03191	2.3
162.06819	2.6
164.01163	5.5
165.01942	13.8
166.02574	1.1
167.03455	2.6
173.05986	1.3
175.03940	1.6
177.09203	25.2
178.09526	2.5
179.03522	12.7
180.04248	1.2
181.06561	5.9
189.09094	2.8
191.10820	6.8
199.07596	1.1
201.05557	1.5
202.06332	1.3
204.04218	2.5
213.05585	1.9
214.09866	1.2
217.08647	3.3
219.10269	12.2
225.05580	6.1
229.12326	2.6
231.10182	1.4
243.14012	1.3
244.07335	2.9
255.10220	3.4
256.10947	1.2
270.12579	1.2
271.13373	9.7
273.11353	5.2
288.06366	1.6
289.14432	2.7
313.07080	7.4
313.14438	19.5
314.14780	2.2
331.78613	1.0
339.12384	1.4
357.06424	24.4
357.13394	77.2
357.26288	7.8
358.06326	3.5
358.13831	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41124	7.8
61.98829	100.0
69.48946	50.9
95.83379	7.3
121.02962	13.0
169.67831	6.9
191.30986	6.9
196.94128	8.5
207.21356	6.8
257.81665	6.7
277.39078	8.6
283.08752	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	356.1713
Annotation	3'-Acetylindicine N-oxide
Peak:m/z	Relative Intensity
57.03421	0.9
57.50486	0.6
58.02972	1.6
59.01377	1.4
71.00153	1.1
71.01352	0.6
74.02469	1.4
82.02993	0.7
84.04555	4.3
88.04027	0.7
97.06556	0.7
100.07686	3.1
102.05606	57.1
103.05975	1.4
106.47134	0.6
115.00362	0.7
125.02448	0.9
128.03537	100.0
129.03922	3.7
137.02435	0.8
146.04596	10.5
165.12831	10.7
166.13138	0.8
176.01233	0.7
177.01915	1.3
178.02222	0.7
182.15457	0.7
183.13885	34.6
184.14201	2.7
199.61629	0.7
201.62335	0.7
208.17125	1.1
209.11790	2.6
222.18649	1.7
224.20239	1.2
227.12865	35.0
228.13159	2.7
250.18108	4.9
268.19186	3.2
276.15756	1.0
294.17081	1.6
312.18124	1.3
320.15094	1.4
322.08322	0.6
338.16083	9.2
339.16418	0.9
356.17123	77.9
357.13297	1.3
357.17368	8.8
357.26416	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.17888	1.2
63.13000	1.2
71.47681	1.4
71.67160	1.3
86.75140	1.3
91.45195	1.4
98.19865	3.7
99.12404	1.3
109.02938	2.1
122.03710	8.0
127.07654	2.6
135.04512	23.4
135.13170	1.5
136.01665	2.7
147.08177	3.0
149.09694	7.4
151.07651	2.8
154.02730	2.5
161.09726	7.2
162.10129	1.4
163.07706	3.2
163.11285	44.9
164.08449	13.7
164.11609	3.8
165.09171	8.3
177.09209	59.9
178.09969	17.4
179.10774	67.9
180.11075	3.7
183.10249	3.0
191.10788	11.3
193.08688	8.3
262.90677	1.3
265.54724	1.6
266.70724	1.3
274.69278	1.5
280.14716	2.5
298.15704	54.6
299.16040	7.2
337.21722	42.7
338.22058	5.5
340.20422	74.0
341.20703	11.1
355.22772	100.0
356.23108	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0988
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01376	2.4
63.98786	0.3
71.01383	1.6
71.50991	0.6
84.87601	0.3
85.02948	1.5
88.04067	0.3
89.02422	0.4
95.01381	0.4
101.02462	0.4
104.05023	0.6
106.06624	100.0
107.06956	4.2
108.08186	1.5
113.02457	2.0
118.06609	2.1
120.05585	0.4
120.08181	0.6
122.06174	0.4
125.02464	0.4
128.03535	1.0
129.65768	0.3
130.08754	0.4
132.86877	0.3
137.02472	0.5
146.06133	1.5
149.02492	0.6
150.05602	72.8
151.04019	0.4
151.05954	3.8
162.05611	0.6
164.07155	11.8
165.07533	0.8
174.05629	0.5
192.06647	10.0
193.06993	0.7
194.04573	16.8
195.04970	0.8
209.04414	0.5
232.51759	0.4
236.05608	1.7
296.07806	1.9
356.09714	4.8
356.17203	0.5
357.10132	0.6
357.14389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1872
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
58.02971	8.3
59.01363	3.2
69.38668	9.8
71.01383	1.3
74.02473	1.9
82.02986	2.2
83.05077	1.1
83.06114	3.2
84.04549	6.1
85.02966	1.7
92.44419	1.1
101.02427	1.2
101.07217	7.8
102.05644	1.9
109.04091	8.9
114.01942	1.8
125.02455	2.1
125.03538	3.3
127.05133	71.6
128.03535	32.5
137.02432	2.1
145.06190	52.2
146.04617	2.7
146.06480	1.3
163.50989	1.3
165.12852	14.6
167.98776	1.1
182.15511	11.5
183.52367	1.2
187.07719	1.4
197.23315	1.1
209.11800	3.5
210.14919	2.0
227.12683	1.5
249.19708	23.5
250.20074	1.7
267.20795	1.9
293.18646	4.4
311.19684	4.4
337.17706	22.8
338.18011	3.2
355.18719	100.0
356.19077	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03458	3.7
59.01375	3.0
69.37188	4.4
71.01370	2.4
71.84159	0.5
72.99300	1.0
80.19313	0.6
84.02167	1.0
85.02946	35.1
86.03288	1.0
87.00832	0.7
89.02464	1.3
93.03434	0.7
96.96013	1.0
101.73114	0.5
102.29690	0.5
109.02921	0.7
111.00903	0.9
119.05001	1.3
121.02943	1.3
129.01947	1.7
133.01436	1.3
133.02966	2.1
134.03738	60.4
134.54974	0.6
135.04100	3.3
137.02443	9.3
139.03992	2.8
144.29243	0.6
147.02971	3.5
149.06075	20.1
149.77066	0.6
150.06392	0.8
163.03917	1.2
174.01723	0.9
175.03961	0.9
178.02696	35.7
179.03067	2.4
191.01953	8.1
193.05037	100.0
194.05351	6.4
203.95137	0.6
209.03006	22.7
210.03493	0.8
211.06161	0.6
345.66193	0.6
355.10361	1.9
370.75693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46516	1.0
55.01862	2.3
57.03448	14.5
59.01375	7.7
68.99778	1.3
69.14923	1.1
69.61133	4.7
71.01393	6.6
72.99306	2.1
75.00861	1.5
83.01386	1.6
84.02163	1.1
85.02948	100.0
86.03276	1.7
87.00887	2.3
89.02427	1.8
103.00362	1.6
113.02455	1.3
119.04996	3.7
128.07782	1.1
129.01947	5.6
133.01466	1.2
147.02997	8.3
163.03949	3.0
175.02470	1.0
191.01950	24.1
209.03024	42.1
210.03369	2.1
336.70148	1.1
355.10068	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33599	1.2
58.63669	1.2
59.01364	3.4
69.85153	6.0
71.01370	3.1
72.99301	2.3
73.02946	4.5
75.00861	2.6
83.01382	3.9
85.02950	8.9
87.00870	3.1
88.63547	1.4
96.44711	1.4
113.02407	2.1
113.99568	2.7
115.00378	7.7
121.02959	1.7
134.03749	11.8
139.06320	1.3
141.56102	1.2
148.05302	1.2
149.06088	3.3
174.01695	78.8
175.02467	10.0
178.02661	4.7
179.07098	5.0
193.01468	2.4
193.03482	2.0
193.05026	18.0
193.99861	1.5
209.02942	1.7
209.08096	3.0
221.08141	2.5
231.33884	1.3
237.07680	5.5
255.47661	1.3
265.07172	11.2
295.08124	14.5
355.10333	100.0
356.10779	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45571	1.1
59.01363	2.1
73.02931	1.5
85.02953	17.2
91.05477	1.2
96.96029	2.8
97.02977	2.4
106.74840	1.1
111.00889	3.6
115.04010	2.7
121.02954	15.2
129.01955	3.8
135.04541	1.9
147.02896	1.7
147.04527	4.0
149.02440	79.5
150.02809	3.7
151.11765	1.3
159.02962	2.3
164.04785	55.8
165.05132	2.6
165.38574	1.2
166.06352	1.3
170.82054	1.1
179.07101	4.7
193.01381	2.2
193.05110	1.4
208.03691	4.8
223.06104	100.0
224.06364	6.2
229.32292	1.2
256.55295	1.2
297.87854	1.4
353.12601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2117
Annotation	Guayulin B
Peak:m/z	Relative Intensity
57.02121	0.3
64.51833	0.3
69.90409	1.6
77.65546	0.3
79.95735	1.5
95.95222	0.4
96.96009	13.8
107.05040	0.4
122.97587	0.7
133.30951	0.3
138.18106	0.3
145.46338	0.3
161.87619	0.4
163.11287	93.3
163.28197	0.3
164.11613	6.9
177.09209	74.2
178.09552	4.8
188.03519	0.3
222.09056	0.7
281.07816	0.3
353.21152	100.0
354.21542	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	351.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
66.43762	1.0
69.18453	10.1
77.90236	1.0
83.10885	1.0
85.06602	5.7
89.17323	0.9
95.19364	1.0
96.88785	1.0
105.80916	1.0
113.06085	25.7
114.16826	1.0
129.05592	15.8
134.03748	34.4
135.04167	1.9
149.06094	1.8
157.05055	100.0
158.05374	3.2
175.06108	89.1
176.06433	3.8
193.05037	21.2
193.06767	1.2
194.05385	1.1
327.42764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18746	1.9
57.09198	1.7
61.98829	100.0
70.04883	3.4
70.05275	4.4
232.69194	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01381	4.5
66.85756	1.0
67.01883	3.4
71.51481	1.9
72.99309	8.4
73.02943	6.2
74.85715	1.0
83.01395	2.2
85.02950	31.3
96.96037	1.2
97.80579	0.9
99.00896	2.8
101.02442	2.5
111.00883	100.0
112.01220	2.7
117.01942	6.2
122.60473	0.9
129.01929	8.7
135.04539	4.8
147.02979	1.5
149.02567	1.2
154.99864	15.9
159.03030	1.6
164.04739	1.2
173.00911	40.6
174.01250	1.6
179.03485	1.8
191.01976	55.3
191.05583	6.7
192.02312	1.1
223.06139	1.2
240.75565	1.0
265.95224	1.0
324.97052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12979	2.1
57.03464	4.7
58.00594	2.8
59.01379	65.6
60.01705	7.1
61.98829	100.0
63.68452	2.3
69.85803	12.5
71.01380	38.3
72.01745	4.4
73.02971	3.5
81.03451	2.8
83.01388	5.8
85.02954	13.2
87.00798	2.8
89.02451	40.1
90.02782	5.1
95.01411	2.6
99.00849	3.6
99.92570	3.9
101.02440	21.3
102.02802	5.4
108.04601	4.5
111.00869	15.7
113.02454	14.0
114.02778	6.8
115.92076	5.1
116.92847	14.4
119.03476	15.3
122.06110	4.5
136.04062	3.8
138.05624	5.1
143.03503	2.9
161.04558	11.4
162.04872	2.5
166.05106	4.9
167.05899	4.7
179.05560	4.1
179.34015	2.8
188.13649	3.1
203.11171	5.1
204.06612	3.1
205.03569	4.5
263.13135	5.3
289.11896	4.7
307.12943	13.7
322.82022	2.7
350.15707	3.5
350.19342	7.2
351.11981	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	351.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10247	1.5
69.51939	7.0
69.52348	3.3
73.87306	1.6
83.04990	1.7
85.06591	2.2
92.55878	1.7
113.06089	27.9
117.03468	7.0
129.05565	17.8
134.03738	71.4
135.04070	3.8
149.06116	6.9
157.05063	100.0
158.05431	3.4
166.43387	1.9
175.06131	4.5
178.02626	4.3
193.05061	66.2
194.05453	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	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
51.05074	0.9
51.61746	1.0
55.01867	2.6
57.03438	3.6
58.00576	3.3
59.01379	100.0
60.01709	1.1
61.98830	16.5
69.03445	3.6
70.43675	3.9
71.01378	73.3
71.05049	1.1
72.01709	1.5
72.99311	5.5
73.02950	7.6
73.26738	1.0
83.01365	3.8
85.02951	22.3
87.00864	2.9
89.02445	64.9
90.02757	1.9
93.54099	0.9
95.01379	4.1
97.02929	2.4
98.20552	1.5
99.00842	3.6
101.02440	43.6
102.02785	1.4
111.11064	1.1
113.01719	1.9
113.02455	28.9
115.92059	1.6
116.92834	2.7
119.02656	1.6
119.03501	26.7
122.06179	1.4
125.02427	1.1
131.03500	3.0
136.07677	3.2
143.03493	5.5
146.17294	1.0
149.04538	3.7
159.02971	1.5
161.04568	13.0
168.06577	1.1
179.05600	8.3
185.00816	1.2
187.13382	7.3
203.01901	1.7
263.12869	1.1
271.03754	1.1
287.18558	1.3
289.16495	2.2
301.96011	1.2
305.11227	1.0
349.10101	2.1
349.14243	4.1
349.18594	16.6
350.19247	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	348.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04348	3.0
59.01378	100.0
63.16862	2.3
67.07554	2.8
67.36761	2.4
87.15004	2.9
88.96879	2.7
89.35453	2.7
96.96002	2.7
105.25713	2.6
269.04388	3.2
349.20251	9.1
363.13098	2.8
373.77673	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	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98536	0.1
63.12938	0.1
64.76501	0.1
70.65205	0.3
70.65530	0.1
87.00943	0.1
93.07970	0.1
93.57128	0.1
144.79233	0.1
147.96140	0.2
162.98470	2.0
163.98575	0.2
164.96344	0.2
204.00032	0.4
205.00140	0.5
205.99754	0.5
206.97433	71.1
207.97539	5.8
348.98669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.1
67.12193	1.1
69.03452	3.8
71.01377	5.8
71.51342	1.3
72.99326	1.3
73.02937	2.8
75.00878	2.6
78.03490	1.3
79.95751	1.1
80.05058	1.0
83.05017	1.5
85.02957	4.6
86.22886	1.2
87.00871	3.2
89.02453	4.6
91.49340	1.0
92.05047	1.6
94.03024	1.3
94.06651	3.2
95.01381	1.7
96.96004	3.1
97.02950	1.8
99.19558	1.1
101.02442	4.6
104.05035	2.1
105.03468	2.4
106.06612	10.9
107.01403	1.5
108.04578	2.4
109.02950	1.9
110.02488	2.8
112.04034	1.9
113.02456	4.1
116.20898	1.3
119.03507	1.2
119.05012	1.1
120.04554	5.1
122.06132	16.2
125.02414	1.7
131.03569	1.2
132.04532	7.8
136.04013	2.5
137.09665	1.2
138.05585	2.1
138.65022	1.0
139.02779	4.0
144.08189	1.8
146.09799	1.6
148.04044	2.4
150.05612	4.4
152.03613	1.8
154.05090	27.9
159.06647	2.4
161.04536	2.4
166.05022	1.6
174.09239	1.3
174.12791	1.2
175.06311	1.5
185.00916	1.3
187.13341	1.3
203.05858	1.6
209.47473	1.1
213.06764	1.4
217.13469	1.2
218.08185	5.4
230.79305	1.2
239.08221	2.8
241.09787	1.5
243.07758	1.5
243.11452	1.1
244.09773	5.7
257.09406	1.6
261.08801	3.4
269.09311	3.1
305.11414	100.0
306.11798	10.0
349.10098	15.3
349.18369	7.6
349.22177	1.6
349.25925	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	347.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.2
59.01372	1.1
69.03449	1.2
69.26889	0.3
69.31091	2.2
69.31504	0.5
71.01376	0.8
71.05039	0.3
85.06582	6.0
87.40532	0.3
96.96025	0.7
97.06601	0.7
99.04511	1.0
101.09715	0.5
104.31818	0.3
113.09706	0.7
115.07619	0.3
123.08171	1.1
125.09730	0.5
133.55986	0.3
139.11230	0.5
143.10765	4.6
147.72087	0.3
153.12823	1.1
157.12364	0.8
171.13925	0.6
181.12335	1.0
183.41223	0.4
225.18608	1.1
229.18112	2.1
249.18542	0.4
257.21249	0.3
267.19635	0.7
269.83627	0.3
285.20508	0.4
301.23917	4.2
302.24121	0.4
347.24365	100.0
348.24695	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	347.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52830	2.4
58.02977	2.5
59.01381	100.0
61.20563	2.5
61.98012	2.2
75.47067	2.1
81.78600	2.6
118.06628	3.0
128.05052	4.4
131.03780	8.3
144.04541	19.3
146.06129	13.3
156.36725	2.1
157.05330	13.3
172.04001	3.0
183.06859	3.4
189.04149	2.5
190.05080	16.0
213.15051	4.5
226.12364	31.2
227.12636	3.1
249.08815	4.2
343.59573	2.6
347.18787	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2436
Annotation	Dodecyl glucoside
Peak:m/z	Relative Intensity
52.27822	0.3
53.39661	0.3
57.03448	6.7
57.45149	0.4
58.82318	0.3
59.01371	1.2
64.08365	0.4
69.03474	0.5
69.17451	4.1
69.17805	0.4
71.01329	0.6
71.05016	1.1
71.55395	0.4
81.03431	0.5
84.29807	0.4
85.06590	3.1
89.02455	0.5
96.95992	1.1
97.06586	1.2
99.04499	0.6
99.08144	2.3
105.35869	0.4
111.08106	0.4
111.44915	0.4
113.09720	0.9
115.07650	0.9
123.08173	1.9
127.11274	0.9
139.11382	0.8
141.09195	0.7
143.10776	7.1
155.10678	0.4
157.12344	1.1
171.13885	1.2
181.12271	0.7
192.84297	0.5
229.18120	2.7
246.54697	0.4
267.19669	0.7
301.23795	5.7
302.24158	0.5
339.35596	0.5
347.24359	100.0
348.24686	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.4
59.01379	68.3
60.12519	1.8
65.03961	7.2
69.03445	2.3
69.49886	3.8
69.50204	15.3
71.01384	38.0
72.99307	4.0
80.02693	14.5
80.05530	2.3
83.01405	4.6
85.02938	5.8
89.02449	35.9
93.03463	3.0
93.07095	5.4
95.01434	3.8
97.02991	2.0
98.19815	2.2
101.02448	24.7
103.05534	76.4
104.05886	4.8
106.04234	40.0
109.06620	3.0
113.02477	12.4
119.03506	13.5
119.04990	12.0
121.02980	2.7
121.06596	100.0
122.06898	4.4
123.00901	2.6
123.04517	4.9
124.01651	5.0
126.02323	1.9
139.07643	3.1
144.01511	1.9
149.02428	2.7
165.04164	4.0
165.05565	80.5
166.05904	3.8
166.99829	4.2
168.00684	2.5
182.02242	2.4
183.02989	7.6
183.06683	2.6
191.18042	2.0
345.08069	5.5
345.11902	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
60.01720	0.6
61.01809	0.2
61.98829	100.0
64.71359	0.2
68.83773	0.2
69.76111	1.1
87.52565	0.2
98.19797	0.4
133.28780	0.2
143.66866	0.2
190.18556	0.2
201.02522	0.8
202.02748	1.8
203.02275	2.4
203.99983	45.8
205.00143	3.8
205.14734	0.2
346.01093	0.7
347.08035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20730	1.5
59.01373	6.8
68.99815	2.3
71.01382	3.0
71.50538	2.0
80.05061	2.4
81.03472	1.6
83.05013	1.8
84.04552	3.0
85.02966	1.6
86.02491	1.9
95.05013	7.3
96.96040	10.1
97.01672	1.8
101.02480	2.4
107.03788	2.9
107.06482	1.4
110.06119	85.6
111.06441	2.6
114.93427	5.1
115.55299	1.4
115.92101	3.7
116.05066	20.4
116.92860	5.2
117.05414	1.8
118.06635	11.0
122.06122	100.0
123.06460	5.3
123.48723	1.6
124.04019	1.8
127.08846	1.5
128.03549	4.0
132.04518	3.0
142.79974	1.7
144.04549	86.4
145.04901	3.2
146.05997	1.8
147.03249	3.3
162.05606	59.7
162.06958	3.7
163.06241	6.4
187.37053	1.6
188.03557	13.3
193.05101	2.4
195.05351	5.6
204.99071	1.4
243.11345	1.9
249.05548	1.7
255.11395	18.8
267.11380	63.0
268.11783	6.4
273.12439	14.1
285.12448	87.4
286.12827	11.2
303.10181	2.4
303.13461	15.6
304.13953	2.0
345.72348	1.7
347.08499	2.7
347.12518	5.3
347.16959	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	347.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.72800	1.8
61.98815	3.7
69.52886	6.5
69.53304	7.5
70.59462	1.9
80.38573	2.0
95.25551	1.8
96.96070	2.3
98.19863	2.1
99.35806	2.2
103.10069	2.5
105.76898	2.4
118.06620	2.6
128.05084	3.0
131.03790	9.8
135.25989	2.0
144.04536	20.2
145.05013	2.2
146.06122	14.0
147.06529	2.6
157.05342	12.2
172.03888	2.4
183.06882	3.9
189.05569	2.3
190.05116	13.6
213.14876	3.5
226.12372	26.5
249.08687	3.9
312.29608	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62824	0.7
50.97587	0.8
57.80126	0.8
59.01355	3.0
61.98817	0.9
62.79027	0.7
68.99822	0.8
70.20991	0.6
71.01392	0.8
73.76235	0.7
80.05051	0.8
83.01406	1.2
84.04526	1.5
95.03737	3.0
96.04562	1.0
101.02428	1.2
104.05051	1.6
106.06618	4.7
108.04540	0.9
120.04534	1.3
122.06100	2.8
123.04493	3.0
124.07691	7.7
125.02382	1.2
132.04550	44.7
133.05367	20.2
134.06137	6.8
137.02469	0.9
138.05608	0.7
139.11298	1.3
148.03993	2.0
150.05571	2.5
151.07823	0.8
161.04745	0.8
165.04305	25.6
165.05670	1.4
166.04695	0.8
176.03551	1.0
177.04317	4.0
178.05029	2.1
179.03423	0.8
183.10220	3.0
184.07724	1.3
186.09201	5.4
198.09258	1.8
209.03207	6.4
213.06714	4.2
214.12334	7.9
215.11839	7.0
220.92397	0.7
226.07452	1.5
227.08206	1.5
229.09775	5.4
239.11905	1.2
240.10474	1.6
241.09909	4.4
255.11382	1.6
256.03787	1.0
257.12943	27.1
258.13303	2.0
258.38895	0.9
283.10910	9.5
284.11203	1.3
291.99078	0.8
301.08539	1.3
301.11942	20.6
302.12131	2.5
327.09683	2.0
330.10895	2.1
330.71149	0.7
345.10843	100.0
346.11209	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	345.0826
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.54181	0.5
52.87533	0.5
57.03458	0.6
59.01378	5.4
66.00130	0.4
67.01866	0.5
68.99840	0.5
69.03467	1.8
71.01385	2.0
71.50850	0.8
72.99330	0.7
73.02927	0.6
77.03979	0.8
83.01383	2.6
83.21083	0.4
85.02943	0.9
89.02483	0.5
95.01389	0.9
95.05019	1.3
97.02940	2.9
99.00898	1.8
108.02177	0.7
109.02961	1.4
110.00066	1.0
111.00887	2.7
111.04564	0.6
111.98270	0.5
121.02962	2.1
122.06137	1.2
123.00899	0.7
123.04510	3.8
124.91698	0.5
125.02467	1.8
129.53760	0.5
132.03099	0.6
132.04546	0.5
137.02458	8.0
139.00378	2.4
139.04007	7.5
140.01160	1.0
141.01950	3.3
146.06116	2.5
149.02431	0.7
151.03990	1.1
153.01920	4.4
153.09164	0.5
160.03999	0.9
161.04802	1.3
165.01924	9.3
165.05577	0.8
165.99030	3.3
166.02245	0.6
166.99832	1.4
172.81699	0.5
177.01910	0.6
179.03532	0.7
181.01419	6.3
182.02205	100.0
183.02968	93.7
184.03293	4.8
185.00832	0.5
189.05736	0.6
195.03015	2.2
197.08235	0.7
205.03748	2.3
205.07390	0.7
206.97603	0.5
225.03915	0.9
259.49493	0.7
283.10413	0.7
301.11844	1.2
315.13333	1.0
327.08847	0.8
327.13324	2.8
345.08206	66.3
346.08517	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	345.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43688	1.3
59.01379	7.4
71.01369	2.6
87.16811	1.5
95.03765	2.1
101.02432	2.8
106.06615	5.3
108.04560	9.1
122.06109	2.4
123.04502	4.9
124.07676	7.4
132.04544	39.8
133.05347	18.3
134.06093	5.7
148.03992	1.7
150.05629	2.1
158.19043	1.5
165.04303	28.1
176.03510	2.9
177.04274	3.6
178.04982	2.5
183.10231	4.7
186.09213	4.9
209.03285	5.3
213.06694	3.3
214.12303	7.9
215.11913	7.6
226.31654	1.3
229.09824	4.0
241.09772	4.3
257.12946	25.9
258.12961	1.8
283.10934	10.6
284.11029	2.0
301.11917	20.9
302.12238	3.0
318.30667	1.7
342.63101	1.6
345.10864	100.0
346.11072	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	343.2852
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
56.18654	0.6
59.01380	100.0
60.01709	1.8
82.62605	0.6
85.02955	16.0
119.04221	0.7
120.90149	0.6
121.03001	0.9
150.75046	0.7
203.80977	0.7
226.34674	0.7
239.23778	4.0
265.25284	0.9
325.27399	1.9
343.17624	1.0
343.28513	40.9
344.28888	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	344.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35431	1.0
58.00576	3.4
58.93201	0.9
59.01379	100.0
60.01703	2.9
61.98829	8.2
64.79968	1.0
70.09554	1.0
70.97602	2.1
71.01380	38.5
72.11789	1.1
72.99294	2.0
73.02931	1.6
83.01382	2.3
85.02943	8.1
87.00859	1.3
89.02445	33.8
92.05073	8.6
95.01382	3.4
97.02930	2.2
99.00903	1.5
101.02445	23.3
108.04540	3.5
113.02455	12.5
119.03511	13.6
120.04556	27.0
121.04897	1.8
122.06139	7.3
123.00902	1.9
123.04557	2.0
125.02407	2.0
126.98894	1.1
135.04538	1.3
136.04027	5.5
138.05608	48.3
139.00345	2.3
139.04021	5.7
139.05920	2.5
157.03456	1.7
158.03658	1.4
161.04604	1.2
164.03535	90.7
165.03868	4.7
169.01425	2.1
171.01489	1.9
175.02666	1.2
176.00520	1.8
180.06616	4.3
199.00975	1.1
200.01192	1.5
201.00879	1.9
201.02550	23.3
201.98520	1.8
202.02759	16.2
203.02351	6.8
220.41393	1.1
241.01984	2.1
273.92050	1.0
300.10892	20.8
301.11157	1.9
301.88586	1.3
344.09842	90.4
344.89050	2.7
345.08487	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	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28652	0.8
54.05541	0.8
59.01379	100.0
60.01706	1.5
60.05371	1.0
69.25278	7.9
71.01386	4.1
72.99338	0.9
78.95939	0.9
85.02937	0.9
89.02443	6.2
101.02463	1.3
113.02467	1.8
119.03512	2.1
121.02966	1.0
128.42548	1.0
136.10078	0.9
145.51663	0.9
184.47528	0.8
187.07549	1.0
196.97887	0.9
203.05980	0.8
290.46982	0.8
323.55725	0.8
328.13092	0.8
334.75693	0.8
343.08743	1.2
343.15283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90092	0.5
57.67186	0.5
58.72636	0.6
59.01382	8.0
63.96223	2.0
64.76355	0.5
69.81664	0.5
71.01377	2.0
71.38659	0.7
83.01371	0.7
85.02946	1.5
89.02474	1.0
92.35553	0.6
95.01395	7.1
99.00923	0.6
101.02454	1.5
109.02907	1.4
111.00913	0.7
113.02465	0.9
119.05043	1.9
121.02948	3.5
122.03734	1.0
123.00889	100.0
123.04495	1.3
124.01682	35.6
125.01974	1.2
135.04509	0.7
137.02405	1.7
137.06010	1.3
138.03229	53.2
139.00421	1.4
139.04019	46.3
140.04347	1.8
143.54239	0.6
149.02446	0.8
150.03210	0.9
151.04076	0.7
153.01918	0.7
153.23561	0.6
161.04614	1.2
163.03946	1.3
165.01984	0.7
166.02739	1.3
177.01971	0.7
178.02728	0.7
181.05051	7.7
192.82463	0.6
193.05045	1.3
240.14343	0.6
243.26617	0.6
283.08173	0.8
300.09009	0.7
343.10336	4.3
344.07980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0458
Annotation	Wharangin
Peak:m/z	Relative Intensity
57.03422	1.2
59.01387	3.6
59.97736	0.8
61.98803	0.9
65.00322	12.4
69.03423	2.7
71.01358	1.1
71.52321	1.4
77.03944	1.2
81.03395	0.9
83.01389	9.2
85.02930	1.1
89.02422	1.2
93.03471	5.5
95.01350	2.1
95.04995	1.5
97.02364	0.8
97.02953	13.1
100.12082	0.7
107.01402	3.8
108.02106	0.8
109.02953	23.8
110.03271	1.2
111.00810	0.9
111.08138	0.9
112.16825	0.8
121.02956	22.2
123.00891	5.1
123.04527	6.9
125.02457	10.6
133.02962	1.0
135.00847	2.0
135.04491	0.9
137.02444	11.2
139.04008	5.8
143.04919	0.9
145.02946	0.8
146.03694	1.6
149.02440	13.1
150.03209	1.2
151.00371	9.2
151.03101	0.7
151.04010	8.7
153.01947	1.0
155.07149	0.7
159.04474	2.8
161.02399	2.9
161.06030	2.2
162.03218	1.7
163.00375	5.9
163.04012	1.1
164.01112	2.1
165.01927	30.2
166.02214	2.0
167.71078	0.7
171.10234	2.6
173.06027	1.2
175.03957	1.2
175.07559	1.3
177.01929	13.2
177.05521	1.3
178.02493	1.4
179.03462	2.4
185.06067	1.5
187.03960	3.4
189.02103	0.8
189.99011	3.2
192.00639	1.2
193.01340	1.7
201.05556	3.2
201.11322	1.0
203.07233	1.6
205.01440	4.0
205.05049	7.7
206.02115	1.4
209.11800	1.6
211.03966	1.9
227.07133	1.2
228.04347	0.8
229.05055	17.6
230.05400	1.4
231.03000	7.4
247.06108	9.3
253.05103	1.5
269.04611	1.0
271.06149	5.4
273.04169	3.4
297.04062	2.1
315.05087	100.0
316.05414	9.1
333.06110	2.2
334.64798	0.8
343.04562	31.4
343.11768	4.2
343.21231	7.5
343.24969	1.2
344.04807	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46365	0.6
57.03440	1.1
59.01379	10.7
64.28179	0.6
67.60135	0.7
69.03462	3.0
69.93198	1.6
69.93603	1.7
71.01383	6.5
76.26074	0.6
81.03439	0.8
81.73572	0.6
83.05017	1.9
84.02174	1.9
85.02950	1.2
89.02451	8.1
95.05029	0.7
97.05985	0.8
97.06588	12.4
98.19834	0.6
99.04517	0.8
101.02460	3.2
113.02422	2.3
119.03474	2.8
125.09747	1.6
137.09677	2.0
149.13333	0.7
165.12836	1.3
171.10266	8.2
175.11362	1.0
177.12955	0.7
178.32082	0.6
179.05586	2.8
183.01309	0.8
185.11710	0.9
193.12317	16.9
194.12666	1.2
211.13332	3.3
221.11810	1.7
223.17010	1.8
225.14941	27.2
226.15273	1.9
236.59543	0.7
241.14352	0.7
243.15985	11.8
244.16333	1.4
253.14322	1.2
291.19458	1.3
323.22174	0.7
341.10861	2.4
341.23297	100.0
342.19794	1.2
342.23648	11.9
348.00214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
71.33311	2.1
72.78423	0.9
72.81583	0.8
81.52814	0.8
81.81441	0.8
101.02457	0.9
110.04051	0.9
115.90443	0.9
116.01759	2.8
121.02976	1.5
122.03724	1.8
126.05102	1.6
138.01474	2.1
142.00906	4.2
149.60973	0.8
152.03009	4.8
159.40761	1.1
169.10570	40.1
170.10902	2.7
179.10791	11.3
195.08498	33.4
196.08813	2.2
213.09547	100.0
214.09915	7.5
241.10826	0.9
305.45581	0.9
342.08505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21006	0.2
56.92900	0.2
59.01378	89.0
60.01716	1.2
61.37029	0.2
61.98856	0.3
65.66589	0.2
71.00727	0.6
113.04594	0.4
115.02531	0.3
121.02966	0.3
157.03568	8.0
158.03639	0.4
159.01463	1.8
201.02545	100.0
202.02701	10.1
208.99504	0.2
209.58330	0.2
224.55203	0.2
343.03711	1.9
344.03735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
59.01381	3.9
69.03452	1.8
70.82311	0.7
70.82619	1.0
71.01390	3.0
83.05010	2.2
84.02157	3.9
84.38560	0.6
89.02460	2.6
97.02981	2.1
97.06590	10.3
99.04476	0.8
101.02431	0.9
113.02456	0.9
119.03537	0.8
125.09724	1.7
137.09692	1.5
145.98579	0.5
151.11310	0.8
163.11147	0.6
165.12819	1.0
171.10252	12.0
172.10672	0.7
175.11235	0.9
179.05637	1.1
185.11836	0.6
193.12314	16.6
194.12666	1.6
197.15430	1.0
211.13354	3.9
221.11911	1.2
225.14948	22.6
226.15286	1.8
243.16008	9.0
244.16368	1.3
253.14482	0.9
253.95717	0.5
260.72952	0.6
271.74963	0.6
271.77985	0.5
291.19647	1.4
305.21194	1.0
323.22192	0.7
341.10858	1.5
341.23294	100.0
342.23621	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	341.1085
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
52.35135	0.6
57.03439	1.2
58.00594	3.2
59.01377	100.0
60.01722	1.0
70.68039	1.8
71.01379	69.0
72.01694	1.0
72.99310	3.1
73.02946	1.4
81.67709	0.7
83.01395	2.1
85.02944	10.0
87.00874	3.5
89.02441	85.4
90.02764	2.0
95.01402	4.5
99.67775	0.7
101.02435	33.1
102.02824	1.1
113.02446	27.1
114.02763	1.0
114.99220	0.6
119.03496	28.8
120.03890	0.9
125.02542	0.6
128.78680	0.6
131.03513	4.3
143.03500	7.1
145.74174	0.5
149.04521	3.6
161.04547	8.7
179.05605	28.4
180.05905	1.0
218.56264	0.6
306.40375	0.7
341.10861	32.8
342.11191	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
50.25612	0.8
57.03456	1.4
58.00583	3.5
59.01378	100.0
61.06308	0.9
70.79872	1.4
70.80214	1.4
71.01379	69.2
71.98565	1.2
72.99299	3.5
73.02938	2.8
83.01372	1.3
85.02947	9.5
87.00866	3.8
89.02441	87.4
90.02763	1.5
95.01390	3.4
101.02438	31.8
113.02448	26.8
113.79113	1.0
114.02776	1.3
119.03500	30.8
120.03842	0.9
131.03522	4.7
135.04488	1.8
143.03470	8.7
149.04533	3.2
161.04527	8.0
161.82118	1.0
179.03442	1.6
179.03770	1.8
179.05600	31.9
179.61061	0.9
180.05927	1.7
198.48653	0.9
226.23909	1.1
249.26761	0.9
341.10870	33.7
342.11288	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	341.1087
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
51.20087	1.2
55.01875	1.0
56.25476	1.1
57.03432	1.1
58.00582	3.1
59.01380	100.0
59.85344	1.1
59.95688	1.1
60.01719	1.7
69.72039	4.7
71.01382	68.3
72.99311	3.7
73.02954	1.3
83.01378	1.9
85.02947	8.9
87.00877	3.0
87.10880	1.0
89.02447	90.5
95.01392	3.7
98.19846	1.5
101.02444	34.0
104.66648	0.9
113.02451	27.5
119.03505	30.0
124.93717	1.0
131.03481	4.9
143.03485	7.6
149.04565	2.7
152.95471	1.0
161.04572	9.2
179.05614	34.1
180.05888	1.9
291.51385	1.1
341.10858	41.4
342.11148	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19736	1.6
58.02976	25.8
59.01378	18.0
64.97862	1.5
70.02978	32.5
70.79547	3.7
70.79877	1.5
71.01389	13.4
71.02492	4.8
72.00910	2.1
83.01408	1.8
85.02954	2.3
87.05634	4.3
89.02451	16.6
92.50855	2.2
95.02505	5.6
95.05005	2.9
96.00916	57.9
97.01249	1.6
101.02454	7.8
109.02938	5.0
111.01985	2.4
111.60648	1.7
113.02428	3.1
113.03580	45.4
114.01973	54.0
119.03484	4.5
123.04501	5.5
131.04626	80.1
132.05014	1.9
137.02483	2.6
139.05792	1.6
142.26482	1.8
147.04529	1.7
149.56259	1.6
151.03958	2.4
161.78822	1.8
165.01881	4.3
165.12865	8.7
175.07631	6.3
177.01936	6.3
179.05634	5.5
182.15492	48.1
183.15816	2.0
189.01895	19.9
190.02693	3.6
203.03340	2.6
208.17082	4.3
217.01392	6.8
219.02979	3.6
225.16080	15.6
226.14479	53.7
227.14856	5.3
231.02888	1.7
235.18124	2.3
236.16296	2.1
253.19131	1.8
279.17126	25.4
280.17584	2.0
297.18146	3.3
323.16107	29.0
341.06656	20.7
341.10550	7.4
341.17178	100.0
342.06946	3.3
342.17563	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	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61114	1.6
50.61340	1.4
55.01873	3.9
57.03450	18.9
59.01100	2.6
59.01380	29.4
62.10392	1.3
69.49898	2.3
69.50240	11.7
71.01379	30.1
72.99300	4.8
73.02941	4.8
73.92014	1.4
75.00870	11.2
83.01389	11.5
84.02160	6.2
85.02951	100.0
86.03300	3.1
87.00874	2.6
89.02451	17.7
91.05546	2.8
95.05061	1.8
98.20589	3.2
99.00851	3.3
99.04517	1.6
101.02446	16.3
111.00882	33.5
113.02454	6.9
119.03498	4.6
119.75101	1.7
129.01942	33.1
134.03748	2.5
135.04546	3.8
143.03522	2.6
147.03030	2.4
149.02438	2.7
161.04527	9.0
161.09734	5.9
164.04829	2.8
179.05611	33.0
179.10724	11.5
180.06001	1.7
187.02386	2.3
198.03554	6.5
203.80775	1.4
205.03511	33.4
206.03905	2.3
213.05930	5.6
223.04553	87.3
224.04907	2.8
233.77786	1.6
260.14691	1.7
341.11087	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21358	1.7
55.01878	6.5
57.03447	15.7
57.04092	1.8
59.01384	6.7
62.46201	2.0
64.18318	2.0
69.50397	13.4
71.01378	14.6
72.99294	2.4
75.00881	3.8
80.43830	1.9
83.01396	10.9
84.02191	5.0
85.02950	100.0
86.03301	1.8
87.00874	3.2
89.02473	2.8
89.32738	1.8
101.02433	11.1
111.00886	37.3
129.01958	33.1
134.03783	2.1
135.04520	20.4
147.03001	2.2
161.04549	4.3
179.03528	17.9
179.05112	1.9
179.05630	2.0
180.30154	1.8
187.02498	3.3
205.01660	3.2
205.03514	40.6
223.04578	90.6
223.06799	4.5
224.04973	4.8
238.03006	1.8
261.38522	1.9
261.57758	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
57.03452	16.0
59.01380	18.5
59.82011	2.0
67.01892	2.5
70.25581	5.7
71.01378	20.5
72.99318	12.5
73.02942	4.0
74.09387	2.0
75.00876	18.2
83.01414	10.2
84.01656	3.4
84.02161	42.3
85.02949	83.4
87.00878	13.8
89.02427	12.7
92.83187	2.4
99.04530	21.7
101.02438	12.5
103.03966	3.9
111.00877	34.3
113.02443	2.2
123.32087	2.2
128.01126	4.2
129.01955	25.5
134.03769	4.0
136.17993	2.2
143.03445	6.2
147.02945	3.9
149.02437	2.0
161.04543	37.7
165.04013	9.1
173.53043	1.9
179.05582	13.2
179.10728	2.9
187.02406	4.2
193.05028	3.6
205.03549	45.0
206.03804	2.3
206.72171	2.3
207.31563	2.5
223.04558	100.0
223.32867	2.2
224.04922	5.7
225.64064	2.0
241.66338	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	339.0719
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
56.72997	0.4
59.01372	2.4
65.00327	1.0
65.03958	1.4
67.01907	0.5
70.46100	0.5
71.01376	1.0
71.52061	0.5
80.02667	1.0
82.52142	0.5
91.01895	49.6
92.02225	2.1
96.96003	1.0
108.02181	1.0
109.02949	14.0
110.03300	0.7
121.02969	1.1
123.04530	1.2
125.69735	0.5
130.46799	0.5
133.02946	1.4
133.55757	0.5
135.00883	100.0
136.01131	3.2
137.02406	3.1
149.02431	1.9
153.01933	65.5
154.02327	2.3
161.02419	1.1
177.01886	1.3
188.27121	0.5
189.01926	0.7
279.05164	0.8
297.06171	0.8
339.07199	24.8
340.07608	2.1
356.03439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1598
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
50.51219	0.9
59.01367	2.8
61.98823	1.1
69.49338	5.7
69.49740	1.9
82.92154	1.0
98.19955	2.2
119.05002	1.1
121.02923	1.0
134.03735	1.4
142.49004	0.9
149.02446	2.8
149.06078	4.6
161.02472	2.4
164.42999	1.1
169.91016	1.0
183.01201	4.2
197.02859	1.1
225.09203	79.3
226.09567	7.0
237.09238	13.3
238.09616	1.2
239.10655	1.0
272.10727	1.2
285.55557	1.1
295.17032	59.2
296.17352	7.5
303.79385	1.2
339.16043	100.0
339.19928	10.1
340.16333	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01700	1.0
69.03465	1.7
71.01372	5.1
72.99298	1.7
73.02950	2.3
83.01373	2.0
85.02936	3.5
89.02438	1.8
96.95991	1.0
99.00866	1.9
101.01868	1.0
101.02438	5.9
102.73804	1.0
113.02450	3.2
117.27251	1.0
119.03502	1.1
131.03485	1.6
132.03093	1.0
135.04532	1.5
159.05658	3.3
161.04559	4.4
173.07188	3.0
177.01904	6.0
177.04051	2.6
177.06699	2.4
183.08601	1.2
191.08264	1.9
205.06189	9.2
219.07758	3.5
279.14459	8.6
283.87869	1.1
284.06522	1.1
339.07806	1.3
339.11810	2.7
339.15707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
60.38282	0.4
70.81126	0.7
71.67748	0.3
163.11285	100.0
164.11612	7.5
183.01207	0.7
322.64374	0.3
339.23288	55.4
340.23605	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	338.161
Annotation	Aucherine
Peak:m/z	Relative Intensity
50.68426	0.6
59.01358	1.7
68.82922	0.6
68.99809	7.8
71.01375	2.8
71.52106	0.8
81.91782	0.7
86.02491	1.2
88.04040	2.8
96.95995	1.7
96.99310	5.2
99.00878	40.7
100.01218	0.8
101.02506	0.8
115.00344	1.0
124.00392	1.5
129.90994	0.8
132.03011	4.2
134.09769	0.8
134.53772	0.6
135.06895	2.2
144.88126	0.7
157.08830	0.7
160.98044	0.8
164.03410	0.8
164.14459	1.2
178.05135	2.3
178.12357	1.6
179.14496	0.8
180.13876	1.9
188.32716	0.8
190.12392	3.0
192.00624	1.2
192.02943	1.5
192.13847	0.8
206.04582	10.0
206.15547	0.8
207.05345	29.7
208.05745	2.1
208.13374	2.0
211.94170	0.7
220.13483	0.9
222.14755	0.8
234.14874	1.0
235.12033	0.9
237.53705	0.7
250.14479	1.2
263.11557	2.5
278.13965	96.0
279.14325	10.0
294.17035	0.8
338.16083	100.0
339.16446	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	339.072
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
57.03433	4.6
59.01367	3.4
70.29027	2.6
70.29424	2.3
71.01377	32.4
73.02920	1.9
83.01385	1.3
85.02956	6.0
86.24925	1.1
87.00856	1.3
91.31134	1.2
96.95989	4.8
97.02953	1.3
101.02430	3.5
108.02193	2.3
113.02361	1.2
115.00368	9.5
117.03468	1.8
121.02951	12.0
131.03479	1.6
132.02109	1.4
133.01413	1.7
134.03706	3.9
135.04530	1.6
145.01427	2.9
147.04495	5.8
149.02428	69.5
150.02736	3.4
151.00400	2.3
153.00125	1.6
163.03989	3.8
164.04790	49.8
164.06172	2.8
165.00157	2.2
165.05022	2.6
167.01703	4.9
168.02473	5.7
179.07103	2.5
192.00638	10.7
193.01393	6.1
193.05034	3.6
196.02013	3.3
208.03740	5.3
211.04350	20.5
223.06104	100.0
224.06398	5.6
244.84528	1.3
248.10272	1.5
288.13837	1.4
339.07150	12.1
339.11090	2.7
339.14728	3.0
340.07681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26303	12.6
56.55443	13.3
59.01377	100.0
69.73631	14.4
71.01376	30.0
71.21858	17.2
71.39114	13.1
78.95907	22.7
85.02950	42.7
87.00892	18.4
94.02993	24.2
96.96049	17.1
111.00891	38.3
113.02466	17.5
113.99592	18.8
115.00400	22.4
119.05021	17.9
121.25661	13.4
123.00893	17.5
129.01932	22.4
138.01976	70.4
163.03999	26.2
201.04063	15.9
277.05573	16.4
337.07770	86.7
337.11176	18.9
337.14999	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88664	1.3
59.01379	1.6
67.77557	1.2
68.59097	1.3
71.05009	2.9
84.70811	1.4
85.02946	2.6
89.03966	1.6
95.86573	1.3
99.04514	27.4
99.31606	1.1
113.06059	1.7
115.04004	19.9
117.03467	5.9
129.05626	1.7
134.03737	68.6
135.04106	2.1
137.02393	2.4
143.03490	100.0
143.69637	1.2
144.03851	2.8
149.06119	6.4
157.05087	5.9
161.04591	10.0
175.06140	8.2
178.02701	4.3
180.27643	1.1
193.05040	65.9
194.05385	3.1
196.53897	1.1
216.17708	1.5
229.01344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24597	1.3
61.75856	1.4
69.53397	7.6
70.68635	1.6
71.04998	3.9
74.72495	1.4
78.17931	1.4
98.20612	3.1
99.04513	20.5
110.57817	1.5
115.03992	13.6
117.05609	2.3
120.00233	1.4
134.02724	1.9
134.03735	31.4
143.03487	100.0
144.03796	3.6
149.06058	1.9
161.04544	91.4
162.04848	4.2
193.05028	20.6
301.19089	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	337.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61635	0.8
56.71508	0.9
59.01358	1.0
69.53104	6.1
71.05021	2.2
85.02936	0.9
89.03970	1.6
96.96018	2.0
98.20607	1.9
99.04517	27.1
104.18787	0.9
115.04011	21.3
116.04348	1.0
117.03466	7.3
118.03802	1.1
134.03738	73.4
135.04080	3.8
137.02446	1.9
143.03496	100.0
144.03835	4.0
149.06068	4.4
157.05038	1.4
161.04568	6.6
175.06090	2.5
178.02708	4.5
193.05049	67.5
194.05324	2.8
205.74951	0.8
223.01988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15771	2.0
57.03433	2.3
59.01379	17.9
69.03458	4.6
71.01376	27.5
71.51904	3.8
72.29693	2.0
72.99328	3.5
83.46682	2.6
84.04567	3.3
85.02507	2.2
85.02939	11.0
87.00903	2.3
88.04038	2.6
89.02439	3.8
106.83332	2.3
111.00877	11.2
112.01199	5.5
113.02448	9.0
114.01971	47.3
115.00366	43.9
119.05025	3.4
121.02943	8.8
123.04522	2.5
129.01900	2.7
131.03499	4.0
132.03029	19.7
133.06613	4.7
135.02980	2.4
138.03197	4.7
142.05075	2.4
143.06148	17.5
149.02435	66.1
151.03969	4.6
153.05573	5.3
154.99817	2.2
161.07196	59.1
162.07539	2.9
163.03998	3.6
164.04791	91.9
165.05148	4.8
173.00935	3.2
173.04510	6.7
175.02559	3.8
175.03975	2.9
177.01918	10.7
177.03990	3.9
179.07123	79.0
180.07394	4.0
190.02747	7.5
192.04376	4.0
192.06625	5.5
193.03540	3.5
202.05081	6.3
204.07764	42.1
205.04996	6.0
205.08141	3.3
207.06776	4.1
207.08871	2.2
222.07741	33.6
223.06094	52.0
223.07716	2.0
223.64737	2.3
224.06470	3.0
230.09338	12.6
250.10854	3.3
272.10388	8.5
276.08807	18.5
294.09854	16.0
320.12524	2.2
338.08810	100.0
338.13184	5.6
339.09204	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	336.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
61.18340	0.8
64.53142	0.7
67.01897	1.6
67.49026	0.8
68.30559	0.9
69.17970	8.8
71.01370	4.2
72.99357	0.8
73.02956	1.6
79.95732	0.9
83.01392	1.1
85.02951	8.5
87.00857	1.7
89.02461	3.7
93.03461	1.5
96.04568	1.0
96.95996	1.1
98.06118	0.8
98.20693	1.3
101.02435	3.5
105.05362	0.7
111.00883	22.9
113.02441	1.2
114.05591	1.2
115.04032	0.9
116.05058	2.3
116.07171	22.2
116.58926	0.8
117.07491	0.9
119.03499	1.6
119.05074	1.8
127.04012	1.0
129.01920	3.0
132.02136	1.8
134.03738	45.6
135.04059	1.2
142.05095	92.9
143.03465	1.5
143.05431	3.6
144.93945	0.9
145.03015	1.0
148.05258	1.1
149.06078	19.1
154.99841	2.7
160.01689	10.4
160.06151	100.0
161.02327	1.4
161.06548	4.0
163.03964	1.6
173.00911	8.1
173.04547	0.9
174.07780	1.0
175.03998	26.2
176.04327	1.3
177.05663	1.0
191.01976	2.6
191.05611	44.3
193.05040	17.3
220.92706	0.8
246.11380	6.7
274.10803	2.7
292.11899	3.5
318.09827	17.4
319.10080	2.0
336.10886	21.7
336.20905	1.4
337.11142	2.1
337.15048	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1818
Annotation	Mulgediifoline
Peak:m/z	Relative Intensity
59.01376	5.2
61.98827	7.6
70.59293	4.0
88.67198	3.8
93.03432	3.8
94.02985	15.9
104.53895	4.2
107.67690	3.7
126.18820	3.6
126.48930	4.4
175.28542	4.3
206.11848	5.5
262.18045	29.6
290.17572	8.9
292.19165	85.6
293.19647	8.5
306.17233	6.0
324.18143	10.7
336.18149	100.0
337.18512	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.0
60.75298	0.5
64.08826	0.5
67.01578	0.6
67.01872	3.9
72.99309	3.6
81.45392	0.5
83.01376	2.8
84.03931	0.5
85.02950	16.3
87.28890	0.6
90.89858	0.5
99.00877	0.8
101.02433	1.8
111.00880	100.0
112.01231	3.3
119.05022	1.4
129.01949	3.7
129.24455	0.6
154.99866	13.8
156.00208	0.6
173.00908	22.3
173.69220	0.5
173.94891	0.6
174.01295	0.9
180.55399	0.5
182.59306	0.6
191.01936	0.9
191.05373	0.7
229.19122	0.6
246.73549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.8
67.01879	3.0
69.22699	5.3
71.01389	0.6
72.99302	4.1
73.02946	0.9
74.19272	0.6
79.90533	0.5
82.51009	0.6
83.01389	2.2
85.02950	19.9
99.00876	1.4
101.02450	2.3
103.87694	0.6
111.00883	100.0
112.01204	2.8
117.01953	1.3
117.14642	0.6
119.05009	1.4
121.48490	0.6
129.01935	4.5
154.99861	15.6
163.04048	1.4
173.00908	35.7
174.01286	0.9
175.04025	1.1
191.01976	8.7
191.03516	0.8
191.03845	0.8
191.05583	7.9
198.42329	0.6
253.06593	0.6
310.57236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73048	0.5
59.01384	3.7
61.98825	2.6
70.69959	0.6
71.01369	1.5
78.80388	0.5
78.95921	1.5
81.23490	0.6
85.02956	1.5
93.20844	0.6
94.02985	27.8
96.96068	0.7
101.02450	0.7
113.02422	0.8
113.99562	0.8
114.25996	0.7
138.01973	100.0
139.02325	2.3
174.01735	1.3
213.42287	0.7
277.05774	1.6
300.06964	1.1
321.98596	0.8
336.04865	11.7
337.07803	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	336.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19293	1.0
59.01371	4.8
61.98835	8.5
69.24950	11.2
70.64611	1.3
71.01375	1.9
73.02936	4.1
85.02949	2.9
95.05564	1.2
96.95975	2.2
98.95628	1.6
106.19267	1.2
109.29712	1.4
110.06051	1.8
111.00894	1.1
116.07191	5.8
117.03457	2.3
117.07441	1.1
123.04478	1.5
125.08804	1.2
127.18080	1.1
132.02153	1.3
134.03741	100.0
135.04134	2.9
142.05090	32.0
149.06082	45.7
150.06412	3.3
160.01672	11.2
160.04063	1.4
160.04895	1.8
160.06155	32.6
161.02397	2.0
161.06343	1.9
162.03238	1.7
169.67915	1.2
175.03987	31.8
176.04372	1.4
177.05530	1.3
189.04242	1.4
191.02013	1.4
192.06636	4.2
193.05045	32.6
194.05266	1.5
204.06621	2.9
207.59256	1.2
231.08929	2.5
246.11348	16.4
247.11691	1.3
258.55505	1.1
259.08505	2.8
274.10803	3.9
292.11899	4.7
318.09802	36.6
319.10129	3.6
336.07019	2.6
336.10892	36.8
336.14822	2.1
337.11017	2.8
355.26514	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	334.078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65139	1.6
59.01379	7.1
61.98830	100.0
71.01398	2.4
71.51582	2.7
73.02959	1.5
83.05032	1.7
96.96017	5.9
101.02445	1.6
135.04498	1.7
136.07715	2.0
145.02863	1.6
167.05853	2.3
174.01799	3.5
195.09766	3.0
214.52116	1.8
253.08186	1.7
334.06799	3.9
334.19543	7.3
335.08200	1.8
335.12109	3.6
335.20688	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	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01383	9.7
61.98830	13.7
67.01902	4.3
71.01380	1.6
73.02942	1.8
77.51750	1.0
79.95741	1.9
81.03458	1.2
83.01386	1.7
83.05011	1.8
84.96487	1.1
93.03446	7.9
96.96029	1.9
97.06596	1.9
98.19848	2.2
98.95602	5.4
99.00916	2.2
101.02477	1.5
108.04562	1.4
109.02934	14.3
111.00895	17.8
111.04536	4.2
113.02500	1.2
121.02961	1.7
125.02435	2.2
133.02942	6.4
134.03740	13.5
135.04526	76.2
136.04855	3.1
137.02452	4.5
139.00398	4.2
142.05116	4.6
143.03497	5.9
143.05034	1.7
145.74199	1.1
147.04497	1.8
149.02458	8.5
149.06107	4.7
151.00359	1.4
155.03506	1.6
159.04506	7.9
160.06155	3.9
161.02457	18.8
163.03978	1.9
167.03571	1.1
171.04532	4.2
172.05322	2.1
173.04608	1.5
173.05952	1.7
175.03995	7.7
177.05573	1.1
179.03494	63.1
180.03847	2.7
183.03036	2.2
185.06194	1.3
187.03996	14.9
187.07620	1.3
188.04782	6.0
189.05458	2.6
193.05072	4.8
194.09467	4.2
197.02408	2.0
198.03201	1.3
199.03964	2.8
201.11105	1.5
203.03404	1.1
209.11928	2.1
211.12354	1.2
215.03508	34.7
215.06883	1.6
216.04034	3.7
217.05095	1.3
218.02246	1.3
219.06657	3.3
231.06638	1.8
232.03796	3.3
241.05118	3.4
243.02969	63.6
244.03455	6.3
246.11278	2.0
247.06087	14.9
253.10837	2.3
255.11209	1.4
259.06158	1.8
261.04047	3.2
273.07681	2.5
275.05621	23.7
276.05960	2.2
291.08829	1.5
303.05124	5.0
318.09854	4.0
335.07736	100.0
335.20645	2.4
336.07541	7.3
336.11078	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70753	1.1
55.01883	1.4
57.03427	2.7
58.00595	3.6
59.01379	92.0
69.87830	3.8
69.88234	2.6
71.01383	49.4
72.99296	3.6
73.02946	2.1
78.05049	1.1
83.01384	3.2
85.02949	13.0
87.00881	2.6
89.02444	51.7
94.13400	1.1
94.35802	1.0
95.01382	3.9
96.95983	1.2
101.02443	36.9
104.46759	1.1
111.08197	2.4
113.02451	19.8
119.03501	23.6
131.03516	1.7
138.01945	2.7
143.03488	2.0
149.04521	1.5
155.07130	8.1
161.04582	2.7
173.08148	3.7
179.05602	3.5
233.89981	1.1
325.34711	1.2
335.13455	100.0
336.13828	7.3
349.41620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23924	0.6
55.63751	0.6
58.02967	1.7
59.01379	1.3
61.98830	95.4
66.62872	0.5
71.01373	0.9
71.06894	1.4
74.83039	0.6
78.68472	0.5
79.95827	0.6
83.01418	0.6
85.02930	0.6
91.71896	0.6
96.96033	1.2
111.00883	2.9
115.55628	0.5
124.01655	1.4
127.00394	0.8
136.98805	1.3
139.00359	1.5
140.01158	3.1
146.03728	1.5
147.04512	2.7
149.20256	0.6
159.04501	1.9
161.02391	0.8
161.03560	1.7
161.04782	0.6
161.06078	2.0
162.06787	0.8
164.07108	1.0
165.51083	0.5
168.00635	5.4
173.06029	1.4
174.01659	1.5
174.52086	0.6
175.03954	1.5
175.07672	1.2
183.02977	100.0
187.07617	0.8
189.05634	2.9
190.06314	1.1
193.04948	1.2
201.05565	1.7
202.06346	1.7
204.07919	1.2
206.73361	0.6
213.87529	0.7
231.10222	0.6
261.10025	7.4
262.10416	0.9
272.12759	1.1
290.13977	19.5
291.14282	2.1
334.12897	1.6
335.04129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52650	2.7
59.01363	10.8
69.62548	19.3
71.01376	3.8
71.05040	3.3
75.17240	2.7
85.02925	4.3
90.98512	2.7
91.83186	2.5
96.96005	5.9
97.11933	3.0
98.19937	3.5
106.05939	5.7
106.06630	100.0
107.06961	4.2
112.04015	13.2
115.07499	2.7
116.05021	2.6
117.60410	3.2
119.04984	3.8
121.02877	3.1
122.79993	3.3
123.03236	5.3
130.06599	3.5
132.04521	3.9
132.08167	5.6
134.06105	5.8
136.03993	3.6
138.01932	11.7
138.05595	22.8
143.07214	9.0
144.04538	3.9
145.02910	4.1
145.05330	3.2
146.06075	10.0
150.05595	37.1
154.05119	3.4
156.04134	2.8
156.08157	13.5
158.09763	24.9
159.10059	3.7
169.08943	5.5
174.09219	7.7
182.09677	3.2
184.11240	16.2
187.06335	37.6
194.04567	10.9
202.08739	76.7
202.10620	3.1
203.09059	8.3
213.07936	9.9
227.08234	27.7
228.10283	67.0
229.10460	5.8
238.07457	13.3
245.09302	51.6
246.07616	8.6
253.09802	53.6
271.10895	18.7
272.09213	31.0
273.09332	3.4
277.63770	3.3
289.08344	10.1
291.03683	6.4
297.08789	4.1
315.09915	17.3
333.10782	44.7
333.14200	4.7
334.16760	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	333.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.6
57.03445	20.4
59.01378	8.1
60.16643	1.1
61.98818	3.5
67.01881	1.5
68.99809	1.3
69.57199	6.2
71.01381	10.6
72.99307	2.1
73.02939	2.5
75.00867	4.7
79.95729	1.1
83.01382	13.4
84.02165	3.5
85.02946	100.0
86.03305	2.2
87.00843	2.7
96.96005	3.2
98.20616	2.5
101.02441	9.0
103.00375	1.2
103.02074	1.1
103.04010	1.3
111.00878	35.2
116.35082	1.0
127.07680	2.1
129.01945	34.5
130.02197	1.4
141.79765	1.3
143.03499	1.3
147.02991	2.9
161.04517	3.6
187.02507	1.6
187.63725	1.0
191.01921	3.1
191.03439	1.1
205.03513	31.3
206.03868	1.2
211.98154	1.1
223.04575	62.6
224.04881	3.4
245.12866	1.2
273.17032	1.9
289.11945	1.9
324.40808	1.2
333.10178	1.8
333.15149	1.9
333.19101	6.5
333.26434	1.4
343.46039	1.2
352.17520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
57.03445	16.2
57.37531	1.2
59.01381	7.4
68.99825	1.8
69.34112	4.1
69.34543	5.1
71.01379	13.3
72.99305	2.1
73.02936	3.2
75.00861	2.6
77.77776	1.0
83.01385	11.6
84.02139	2.9
85.02945	100.0
86.03251	1.7
96.95998	1.8
101.02431	9.5
111.00871	37.3
113.02399	1.2
119.05029	1.5
127.07639	1.6
129.01941	37.2
147.03030	1.7
161.04530	2.0
171.10262	4.4
185.11810	3.2
186.12062	1.2
187.02498	2.0
191.01952	2.2
205.03523	28.4
206.03828	1.5
223.04573	59.4
224.04890	2.9
225.11287	2.9
333.19177	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	331.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.2
57.03438	4.3
59.01378	4.6
63.05952	1.5
68.99806	4.6
71.01383	3.4
71.52108	1.7
72.00020	1.3
72.78046	1.4
79.81198	1.3
84.02168	2.0
84.04533	8.7
85.02946	32.8
86.02476	3.2
94.02994	3.0
95.03761	18.9
96.04540	1.8
96.08176	8.2
96.96004	1.8
97.01723	7.0
101.02431	2.0
109.02931	3.1
110.06077	2.0
112.04065	8.8
116.04242	1.7
116.05058	35.1
118.06619	14.0
123.03258	7.7
123.04488	1.6
124.07679	54.6
125.02477	3.9
125.08006	1.7
129.01952	3.0
132.02992	2.4
137.04803	3.2
138.05576	8.5
139.07672	2.0
144.04547	98.3
145.04900	4.7
146.06107	3.9
147.03160	3.6
160.04007	2.0
162.05606	98.1
163.06151	7.1
169.01404	1.9
188.03517	22.3
189.03938	1.4
191.01982	6.6
195.05367	3.5
199.03853	1.9
217.13400	4.6
241.13391	17.0
259.14441	1.6
266.20987	1.6
269.12878	18.7
270.13275	1.7
285.07724	2.4
287.14008	100.0
288.14465	13.6
300.09937	2.9
331.08154	4.1
331.12540	4.3
331.17310	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	332.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00311	0.8
63.51849	0.7
68.58783	0.7
97.02953	10.3
105.05788	1.2
111.08165	1.0
119.07421	0.8
132.08171	1.1
132.17026	0.7
134.09756	41.2
135.10098	1.6
161.08450	1.1
172.11270	1.0
175.09991	2.0
189.11552	2.4
190.12370	100.0
191.12704	6.3
226.16064	1.1
244.17039	6.2
261.88300	0.7
288.16052	13.2
289.16296	1.5
308.62228	0.9
314.13904	1.0
332.14987	7.8
333.20819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00599	0.6
56.01437	0.6
56.59808	0.5
59.01374	0.8
69.48206	3.6
70.46764	0.6
71.01379	0.7
79.95739	10.4
80.25369	0.5
80.96516	0.7
85.02949	0.9
95.95219	4.2
96.96008	100.0
98.19833	0.6
103.86513	0.8
110.97573	1.7
149.06062	4.7
152.01137	0.7
156.12456	0.6
194.09464	67.9
195.09805	4.9
209.11813	45.3
209.14751	0.9
210.12193	3.0
235.09793	0.7
246.01945	0.6
253.10786	37.9
254.11215	2.9
274.05182	3.4
289.07462	5.5
290.07571	0.7
315.05353	2.1
333.06470	70.7
334.06824	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	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98274	0.5
71.41114	0.5
78.03503	0.9
80.05067	1.1
85.02959	0.6
92.05069	2.3
94.06635	4.7
96.96059	0.8
97.27548	0.5
98.20770	0.9
104.05080	2.8
105.03461	2.1
106.06628	12.1
107.03792	1.1
108.04556	2.3
113.20165	0.5
120.04580	6.0
121.05312	1.3
122.02467	0.9
122.06122	14.0
123.03256	2.3
123.06473	0.8
131.03783	1.0
132.04555	7.8
132.22536	0.5
135.03270	1.0
138.05614	22.0
148.04044	0.9
150.05582	3.1
159.06804	0.7
166.05182	0.7
184.11264	0.6
188.07140	0.6
189.07962	1.2
200.05835	0.7
202.08827	0.5
209.11858	0.8
213.06686	1.0
215.11882	1.3
217.07372	2.0
229.09592	0.9
231.09033	0.8
231.11427	0.9
241.09885	2.7
243.11334	1.8
244.11703	0.6
259.10947	0.8
264.01846	0.6
271.10916	1.3
289.11932	100.0
290.12228	9.2
291.12387	0.5
333.10938	11.2
333.18927	0.6
334.10840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50782	0.5
59.01386	0.8
62.25301	0.7
62.62502	0.5
66.40884	0.5
69.03451	0.9
70.92601	0.5
70.92937	1.2
71.01379	1.9
71.28940	0.5
82.00623	1.0
83.01376	0.9
85.02953	2.1
87.00862	1.3
95.01354	0.7
97.02945	1.5
99.00900	0.8
101.02437	1.2
101.18893	0.6
107.01386	1.2
110.00082	8.1
113.02452	2.5
123.00904	2.6
123.95187	0.5
124.01662	7.2
125.02448	38.3
126.02777	1.5
137.02356	0.6
137.99583	8.7
139.00375	3.5
145.01399	0.8
149.99582	12.7
151.00320	1.1
152.01128	2.3
153.01933	100.0
154.02513	5.2
155.03465	1.0
161.04510	1.5
165.01894	1.3
166.02695	0.6
167.03497	10.5
168.00639	29.0
168.04271	59.4
169.01427	10.9
169.05043	11.7
172.39575	0.5
180.04228	0.6
180.08536	0.6
191.03641	0.6
195.06589	2.1
211.02393	0.9
260.55740	0.5
271.04498	1.3
313.05585	3.4
331.06711	44.6
331.10309	4.8
332.07050	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	331.1033
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
58.88190	0.5
59.01362	0.7
69.89974	2.6
71.01391	1.2
72.99327	0.5
82.00594	0.8
85.02949	2.1
98.20547	0.8
99.10927	0.5
101.02425	1.2
106.77534	0.4
108.23603	0.4
110.00082	7.0
111.00906	0.5
113.02460	2.6
119.19861	0.5
124.01633	1.2
125.02441	7.0
137.02449	0.6
137.99582	8.5
139.00368	2.1
140.01128	0.9
151.00380	0.5
152.01154	4.1
153.01927	100.0
154.02498	4.2
155.03516	1.8
161.04556	0.6
166.02705	1.3
167.03485	11.3
168.04266	50.6
169.01497	0.5
169.05023	9.0
170.05576	0.6
179.03481	0.7
191.03587	0.7
194.02388	0.5
196.03801	0.7
204.24802	0.6
209.04637	0.9
217.02333	0.9
244.03326	1.2
308.65027	0.5
331.06674	1.7
331.10385	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.41755	0.8
62.54053	0.7
65.21865	0.7
66.70501	0.8
67.91785	0.6
69.03450	1.7
69.68603	4.0
78.40332	0.7
79.01890	1.6
81.03452	1.1
83.01375	1.3
95.01348	1.0
97.02973	3.4
104.23836	0.7
107.01395	2.3
110.00106	1.9
123.00890	5.4
124.01668	15.7
125.02444	68.0
126.02753	2.4
137.02461	0.9
137.99570	2.3
139.00284	0.7
149.98369	1.6
149.99582	28.6
151.00270	2.3
153.01941	20.0
154.02669	1.2
165.01929	0.9
167.03490	2.4
168.00635	65.5
168.04285	10.1
169.01346	6.1
169.04973	2.1
180.04343	1.2
195.06583	1.7
294.10959	0.7
313.05643	7.1
331.06683	100.0
332.06961	8.9
333.56580	0.7
344.86649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.6
59.01114	1.8
59.01383	19.0
68.99806	1.2
69.20365	1.3
70.82661	1.8
70.82987	2.0
71.01382	10.9
72.53960	1.0
72.99306	2.0
73.02959	1.2
81.03471	1.2
81.68602	1.1
83.01408	2.0
85.02946	3.8
87.00887	2.5
89.02450	7.9
95.01408	2.7
101.02432	6.2
107.01387	11.4
110.02496	1.3
111.00911	2.0
113.02453	5.5
119.03562	1.9
123.00883	10.3
124.01696	3.4
125.02448	51.4
126.02790	2.4
136.98889	1.7
139.00395	6.6
140.01164	4.9
141.01921	1.4
150.05652	2.9
151.00377	8.7
151.04022	3.2
151.05974	2.8
153.01993	1.6
155.03508	1.5
165.01947	2.7
167.03511	3.5
168.00629	12.2
169.01427	78.3
170.01784	4.2
181.01579	1.8
183.03009	4.7
184.06090	1.2
185.69511	1.3
193.01421	9.6
211.02487	44.0
212.02864	3.0
271.04675	4.8
313.05734	3.5
313.11227	1.5
331.06754	100.0
332.07080	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	329.2331
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
58.00594	1.3
59.01384	4.0
71.51063	1.0
78.63897	0.6
81.55404	0.7
88.92355	0.6
99.08160	7.3
103.65269	0.7
127.07634	1.5
129.09219	7.7
169.12300	4.0
171.10225	0.9
181.12337	4.7
183.13930	1.6
193.12288	1.7
197.11809	2.7
199.13388	18.8
211.13377	14.5
211.16907	1.7
212.13754	1.0
229.14417	2.7
275.20193	1.4
293.21234	2.3
311.22311	2.0
329.23312	100.0
330.23654	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.75615	0.9
59.01376	8.4
69.03460	1.1
69.17344	8.1
71.01380	6.6
77.13719	0.7
79.01900	1.9
81.03439	1.7
83.01384	1.9
85.02946	1.5
89.02443	2.5
95.01382	1.7
97.02950	2.4
98.20683	1.7
101.02445	2.7
103.04646	0.8
107.01395	6.4
110.00109	1.2
111.00867	2.0
113.02463	2.6
121.02959	1.1
123.00874	7.3
124.01672	11.0
125.02448	77.0
126.02803	2.3
133.01410	1.1
136.98782	1.1
137.02484	0.9
139.00414	2.3
140.01198	1.7
149.99593	17.2
151.00375	5.0
153.01947	3.1
157.19138	0.8
165.01949	2.3
167.03494	2.0
168.00641	45.7
168.04225	1.2
169.01422	60.9
170.01781	2.0
176.06499	0.9
180.04332	1.0
181.01350	0.8
183.02924	1.8
184.45982	0.9
193.01451	3.1
195.06618	2.2
211.02490	20.8
212.02844	0.9
241.03632	1.6
271.04611	7.9
313.05728	4.8
331.06714	100.0
332.07062	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	329.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
57.25060	0.3
59.01385	1.6
65.00324	0.9
68.34665	0.3
71.01359	0.5
72.99808	0.3
79.79955	0.3
79.95751	0.5
81.03458	4.7
83.01382	2.6
84.41138	0.3
85.02946	0.7
88.04035	0.6
95.01384	0.4
95.05035	1.0
98.20665	0.9
99.04485	0.4
102.05624	0.4
107.01389	0.8
109.04102	0.4
122.03676	0.3
123.04524	29.5
124.04848	1.3
125.02444	5.9
127.05137	2.0
131.03790	0.8
132.04553	0.6
135.04666	0.4
138.55786	0.4
149.02454	0.7
151.00385	1.7
153.06670	1.2
155.60265	0.3
158.06148	0.7
163.03946	0.5
166.02650	0.4
167.03490	100.0
168.03835	4.4
182.99661	0.6
191.03444	1.0
191.05144	0.3
197.05597	0.4
209.04553	1.0
284.33823	0.3
286.11938	0.4
329.08789	0.6
329.12070	0.5
330.10925	2.3
330.15347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.71450	0.8
60.01707	1.4
71.51599	0.9
80.96516	1.0
96.96045	1.2
107.04967	1.1
108.94470	0.9
109.03016	1.0
125.02446	2.1
131.35168	0.7
137.02422	1.9
149.06117	1.0
165.01860	1.2
173.06041	1.7
207.13882	1.4
209.11862	2.0
225.14951	67.4
226.15260	6.9
261.17798	0.9
269.13922	13.5
270.14072	0.9
271.02338	0.9
311.05655	1.0
329.03284	1.2
329.06619	5.2
329.10226	1.4
329.16110	5.9
329.19556	1.6
329.23520	1.0
330.07016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
52.83192	0.7
57.03444	0.9
59.01360	0.8
59.74453	0.9
64.41167	0.7
66.15400	0.7
70.46761	1.8
70.47103	1.2
97.06560	0.8
99.08146	6.1
125.09714	1.9
126.64436	0.8
127.11309	2.9
139.11288	2.0
141.95113	0.7
165.12851	1.0
167.14453	1.4
171.10254	6.5
183.13892	6.5
193.12305	2.1
209.11815	1.6
211.13379	34.9
212.13792	1.7
216.98633	0.9
229.14424	20.6
293.21198	0.9
311.22391	1.1
329.23318	100.0
330.23615	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.34895	0.5
57.03442	0.9
58.00581	1.9
58.19469	0.5
59.01382	3.2
61.98819	0.7
69.03441	0.6
70.88757	1.5
71.01300	0.6
80.27275	0.6
81.08358	0.6
83.05016	1.0
85.02956	1.3
97.06611	3.1
99.08143	0.6
104.87091	0.5
109.06570	0.7
111.08163	8.6
123.08201	0.7
127.07616	1.5
129.09215	1.7
137.09756	0.8
153.09299	0.6
169.12349	6.0
171.10356	2.9
171.11569	0.6
174.54950	0.6
181.12332	2.4
183.13924	0.8
185.11819	3.6
193.12358	0.7
197.11824	47.1
198.12173	3.5
199.13396	7.8
209.11797	1.3
211.13449	7.2
221.11897	1.5
227.12839	1.1
229.14432	1.5
239.12827	0.7
239.16508	1.1
267.17090	0.7
291.19635	4.2
292.19803	0.8
309.20676	4.1
327.21759	100.0
328.22153	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	329.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	42.3
61.98825	2.9
97.31245	0.6
115.02541	2.6
115.37889	0.5
117.00444	2.4
125.00960	0.9
126.98885	1.1
143.00996	0.6
143.01956	3.6
143.94556	0.6
157.03525	1.1
159.01489	63.7
160.01610	4.8
168.99939	5.3
170.97818	0.8
186.92613	0.8
187.00974	100.0
188.00739	9.8
198.99442	0.9
201.02536	14.6
202.02701	1.2
241.00575	2.2
259.01511	0.9
287.01074	2.6
311.01071	1.8
329.02112	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03449	1.0
58.01474	0.3
59.01373	1.1
65.00314	0.6
67.01887	0.3
69.18375	0.2
71.01398	0.4
71.51501	0.5
75.00879	0.3
79.95754	0.3
81.03452	4.3
83.01379	2.5
85.02956	0.6
88.04005	0.4
95.01406	0.3
95.05022	0.9
97.02939	0.3
99.04521	0.4
101.65598	0.3
106.34333	0.2
107.01373	1.1
109.04089	0.3
109.46158	0.2
123.04523	29.8
124.04879	1.3
125.02447	6.4
125.03376	0.3
127.05121	0.7
132.04572	0.7
139.04083	0.3
147.04494	0.3
149.02391	0.8
151.00371	2.2
153.06674	0.6
163.04005	0.5
163.84158	0.3
164.98640	0.3
166.02728	0.3
167.03490	100.0
168.03804	4.1
182.99686	0.3
191.03445	1.0
197.05684	1.1
209.04568	1.1
329.08807	0.6
330.07422	0.3
330.11035	1.3
330.15576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.35883	0.5
56.84068	0.6
59.01370	1.6
69.44257	2.7
71.01373	1.5
85.02972	1.3
96.96007	2.6
101.02443	0.8
108.02174	56.4
109.02522	1.9
113.18460	0.5
123.04536	26.3
124.04832	1.1
142.72083	0.6
152.01154	38.5
153.01486	1.9
167.03500	100.0
168.03839	4.5
179.02545	0.5
186.35890	0.6
230.40439	0.6
329.08810	2.0
329.12860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.00597	3.2
59.01379	90.1
60.67490	1.4
67.01889	2.8
67.88177	1.4
70.25963	4.0
70.26356	2.7
71.01385	46.5
72.99302	4.4
73.02930	2.8
75.02110	1.3
80.29733	1.6
83.01382	3.1
85.02954	12.0
87.00888	2.1
89.02446	40.7
91.01891	2.3
95.01394	3.1
96.96002	2.0
98.19897	2.2
101.02440	23.2
107.01392	2.7
108.02174	8.6
109.02956	3.8
113.02450	18.8
115.16172	1.7
119.03513	13.4
123.00903	3.0
123.04546	15.2
131.03529	2.4
150.03195	2.3
151.00368	6.3
151.03929	1.6
152.01138	16.9
165.05644	2.7
166.02715	9.1
167.03496	95.6
168.03891	3.7
181.05086	12.2
194.02182	5.2
209.04544	57.4
210.04919	3.5
239.05792	3.9
254.39592	1.5
269.06659	9.4
287.32584	1.6
314.06357	2.4
329.08792	100.0
330.09109	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03437	2.2
65.72816	0.6
69.03443	2.3
71.01380	1.5
72.67062	0.6
83.05054	0.8
83.91924	0.6
85.02950	8.5
95.04980	1.2
97.02911	0.9
97.06561	5.1
104.28482	0.6
109.06566	0.6
125.09706	1.5
127.11284	2.1
137.09729	1.6
144.01382	0.6
161.29796	0.5
165.12788	1.4
167.10757	0.9
167.14388	1.2
171.10275	19.1
172.10559	0.7
177.12820	1.9
181.12404	0.6
183.13898	4.4
185.11815	2.1
193.12305	2.1
197.11769	0.6
201.11325	0.9
209.11790	2.3
211.13383	29.5
212.13693	2.5
221.11819	4.1
228.88315	0.6
229.12294	1.4
229.14430	16.1
230.14825	1.8
239.12894	3.1
291.19489	3.3
309.20728	2.5
318.19855	0.8
327.21750	100.0
328.22055	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	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03426	2.3
59.01391	2.6
69.03452	2.2
71.01367	1.4
71.05025	2.0
73.02936	2.7
85.02940	4.4
91.01955	1.2
93.00789	1.1
97.06584	3.4
98.03754	1.4
99.08154	1.7
112.05276	1.6
115.07606	2.5
117.29807	1.1
125.09720	2.6
127.07681	5.1
127.11288	2.5
129.08264	0.8
129.09212	23.9
132.93718	1.1
137.09686	1.2
141.09186	9.0
141.12866	1.3
155.10773	21.2
165.12852	1.7
171.10277	22.5
183.01231	2.2
185.11810	39.2
186.12140	3.1
197.11813	32.9
198.12207	2.4
208.91872	1.2
209.11865	4.6
211.13351	5.6
229.14410	3.7
283.76151	1.2
291.19617	12.1
292.20135	1.2
309.20688	20.0
310.21109	1.4
312.68848	1.3
327.16177	5.0
327.21762	100.0
328.22162	11.6
349.46756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.1
58.00602	1.2
59.01385	2.6
61.98839	1.1
63.10575	0.5
69.03450	1.2
71.01376	1.0
73.02938	0.7
83.05029	0.8
85.02954	1.7
93.33950	0.5
93.79137	0.5
95.05013	0.6
97.06596	2.3
111.08159	7.5
120.12408	0.5
127.07664	1.5
127.11323	0.6
129.09233	2.1
153.12842	1.0
169.12372	4.9
171.10265	4.2
181.12360	1.7
183.13934	1.0
185.11830	5.2
188.08347	0.7
197.11827	43.7
198.12187	3.1
199.13402	5.8
209.11774	1.1
211.13420	7.0
221.11839	1.3
229.14442	2.4
229.20198	0.5
239.12878	1.7
291.19785	3.7
309.20828	3.8
327.21762	100.0
328.22067	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	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
70.72913	0.6
79.95739	0.6
93.10587	0.5
119.05065	1.0
149.09714	92.9
150.10056	5.4
163.11279	100.0
164.11600	7.0
170.00462	1.0
183.01192	34.3
184.01939	6.3
197.02742	1.7
211.78391	0.6
216.00967	1.6
239.07448	0.6
325.18314	68.2
325.21738	92.3
326.18616	7.6
326.22089	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85265	1.0
53.80898	1.1
55.01884	3.4
57.03448	13.5
59.01371	7.9
67.41326	1.0
67.43155	1.2
69.58582	5.3
71.01375	7.0
72.99307	4.6
75.00862	3.8
83.01403	1.4
84.02159	7.3
85.02948	100.0
86.03286	1.2
86.74540	1.1
87.00875	12.9
89.02445	2.0
99.04483	1.6
103.00378	2.6
105.01929	10.0
111.00909	1.4
119.05022	2.7
121.02937	1.3
129.01933	8.4
129.34785	1.2
133.01405	2.4
135.04533	11.3
136.39458	1.1
147.03000	7.9
161.04547	4.7
165.01968	2.0
165.04033	42.7
166.04431	1.7
173.00949	1.7
179.03488	6.9
191.01970	33.9
192.02321	1.5
209.03021	47.5
295.88629	1.4
327.07248	2.6
327.52289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
57.03442	13.5
59.01385	9.1
69.43444	12.2
71.01398	11.5
72.99304	32.1
73.02944	5.6
75.00871	14.5
83.01391	2.5
84.02163	87.3
85.02948	100.0
87.00872	20.5
89.02438	5.3
99.04515	41.2
101.02499	3.7
103.00365	2.6
111.00887	5.3
118.94913	1.7
121.02963	16.9
128.01172	6.8
129.01999	8.6
133.01421	2.2
135.04532	5.5
143.03476	6.8
147.03061	8.0
161.04546	82.6
162.04881	3.2
165.04051	13.7
173.00851	3.2
179.03462	1.7
191.01965	31.4
204.89883	1.6
205.03517	10.7
209.02988	44.8
210.03372	2.3
252.84555	2.0
327.09335	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	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
56.25482	1.0
57.03193	1.3
57.03449	15.6
59.01379	12.0
68.99806	1.3
70.93520	0.8
71.01380	9.8
72.99290	1.2
73.02937	1.2
73.82634	1.0
75.00869	3.0
77.01579	0.8
83.01379	2.7
84.02165	4.1
85.02953	100.0
86.03278	2.0
87.00874	3.9
89.02442	4.0
101.02421	2.7
103.00370	1.7
105.01960	1.5
111.00884	4.4
121.02976	4.2
122.06174	1.2
129.01942	13.6
133.01427	1.6
135.04529	3.0
135.78766	0.8
147.03098	5.3
147.04492	10.2
148.04823	1.0
149.02470	1.7
161.02448	0.9
161.04599	1.2
163.00320	1.1
165.01924	2.1
165.04053	10.4
165.05574	2.8
176.23636	0.9
177.01932	2.1
179.03490	1.7
191.01988	25.2
192.02403	1.1
197.37512	0.9
204.18852	0.9
205.03506	2.7
209.03017	35.1
210.03371	1.1
312.36154	0.9
327.07352	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29860	2.1
57.03447	22.2
57.35020	2.1
57.86058	2.2
63.96344	2.2
64.65704	2.0
70.55065	4.1
70.55424	5.8
71.01389	8.5
72.99313	20.1
73.02975	2.7
75.00874	6.3
83.01398	11.4
84.02170	47.5
85.02953	100.0
87.00874	5.1
97.02921	2.5
98.08032	2.3
99.04517	28.8
101.02477	5.4
109.02955	7.8
111.00896	17.0
121.02976	27.0
123.04543	4.9
125.02473	8.2
128.01154	3.2
129.01953	40.9
137.02451	2.7
143.03465	5.0
149.02484	2.7
161.04564	53.6
165.01978	2.5
171.38338	2.4
203.07106	4.1
205.03516	16.5
245.08099	3.9
289.07162	27.0
290.07449	3.5
338.31323	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.30389	0.8
54.44950	0.9
57.03452	1.3
58.00579	1.0
59.01373	3.5
61.98823	2.8
69.03432	0.7
71.01376	2.9
79.95774	1.0
85.02954	2.9
97.06595	2.8
110.03694	1.1
111.08145	6.8
125.09689	1.1
169.12317	2.8
171.10330	5.9
183.13843	1.0
185.11845	6.7
197.11835	26.1
198.12120	2.5
198.44788	0.9
199.13382	3.2
209.11841	2.0
211.13380	5.2
221.11827	2.9
227.12860	1.3
229.14476	1.7
239.12914	3.2
291.19595	3.6
309.20682	2.9
327.21750	100.0
328.22064	10.2
328.88327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.77263	0.6
62.21206	0.7
70.40689	2.5
73.55070	0.7
104.96964	0.7
119.05023	100.0
120.05352	5.5
120.67847	0.8
143.96635	0.8
145.02948	2.1
163.04002	74.4
164.04329	3.6
197.42291	0.8
218.94154	0.8
232.58572	0.9
281.02042	0.8
298.47076	0.7
325.09647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	35.4
59.01368	100.0
61.98829	41.5
71.50719	39.8
79.95740	54.5
83.01399	22.4
83.04990	25.5
95.05039	28.4
97.06561	26.6
98.20682	22.1
105.15997	26.3
123.04481	35.8
125.09711	98.0
125.59359	23.0
163.11343	40.8
163.47609	19.7
167.10764	49.2
183.01060	34.5
185.11816	26.6
191.16342	23.5
207.10306	30.4
209.11797	78.8
267.36398	25.7
307.18896	26.3
325.18341	47.6
329.15280	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.11521	1.5
59.01365	3.9
71.01380	6.1
71.05016	3.5
71.27811	3.2
72.02172	2.0
72.58203	1.4
83.05044	3.2
84.02163	2.8
92.08443	1.5
95.05052	1.9
96.95929	1.6
97.02973	1.6
97.06607	4.0
99.08163	3.0
112.05236	2.0
115.07656	3.8
125.09735	8.6
125.34696	1.5
127.07642	16.7
135.08167	4.3
139.07623	4.3
153.09222	17.7
155.10782	3.7
163.11345	4.6
165.12796	2.6
171.10265	16.4
178.09967	3.9
185.11812	17.3
197.11809	18.8
207.10123	1.9
209.11829	73.5
210.12196	3.9
211.13286	2.4
217.84442	1.8
238.12183	7.9
245.19072	2.6
256.13083	4.3
279.19632	2.2
289.18030	12.4
297.20758	2.3
307.19119	100.0
308.19440	8.4
325.16583	2.8
325.20239	35.5
326.20581	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	324.0724
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
50.08450	1.2
51.57359	1.2
59.01363	1.4
62.16471	1.3
68.99816	88.4
70.25558	4.9
91.52557	1.1
96.99311	73.8
97.99645	2.3
119.05032	18.2
120.00911	12.5
134.02478	2.1
148.00412	49.0
149.01105	4.2
150.01961	2.6
162.01961	4.0
163.02739	47.9
163.04013	12.5
164.03516	7.8
165.04344	1.2
178.01628	2.8
178.05087	56.2
179.05444	3.4
180.06607	2.1
190.01465	2.5
191.02248	7.6
204.03056	1.6
205.03835	3.8
206.00883	4.1
206.04512	2.3
218.00912	1.9
221.03336	2.6
224.05676	1.9
232.02301	1.4
233.03275	5.5
234.00475	2.4
234.04092	4.3
236.05602	10.6
264.05115	62.3
265.05475	3.3
293.66513	1.2
309.04913	5.2
324.07239	100.0
325.07565	8.8
333.16339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59464	1.8
57.03447	2.5
59.01377	26.1
60.01712	3.4
61.39042	1.4
61.73883	1.4
64.89163	1.4
71.01379	4.9
71.51308	2.0
72.99302	1.7
78.95278	1.6
83.01385	2.2
83.05042	1.5
83.51587	1.6
84.04514	3.1
84.51055	1.6
85.02940	5.9
89.02444	4.4
92.05070	1.8
95.03773	1.6
95.05045	2.1
96.04535	3.6
97.02934	2.6
97.06586	68.9
101.02437	3.4
102.05611	100.0
103.05944	2.3
109.02939	6.8
110.06123	13.9
112.98486	1.5
119.04998	4.2
123.04506	4.6
125.02437	5.1
128.03497	2.3
128.06306	2.1
128.07187	29.4
134.03706	6.7
135.04086	7.5
137.02417	5.3
146.04594	5.8
151.03964	1.8
159.04453	2.2
160.06369	4.5
161.07201	15.4
162.06491	1.5
162.07576	20.0
163.04077	3.7
164.01109	4.1
164.10809	9.0
165.01920	5.3
175.08772	10.1
176.09129	13.7
177.05603	1.5
178.40224	1.7
179.14449	1.8
182.08347	2.0
182.11850	47.5
182.55846	1.7
183.12210	2.8
187.03986	2.9
189.06715	17.2
190.07060	34.1
193.05020	8.3
194.05347	9.4
203.08253	5.1
204.08565	14.6
205.05064	2.1
206.08139	4.2
206.19206	3.4
218.19107	8.5
226.07187	2.0
234.18782	3.1
236.16504	3.5
236.20190	59.2
236.22563	3.1
237.20480	4.6
245.08212	2.5
261.16983	1.5
262.18143	15.1
263.18536	1.9
280.19168	33.3
281.19412	5.1
287.05524	2.2
289.07184	23.4
306.17056	4.9
324.12753	11.7
324.18115	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03355	0.6
59.01303	3.1
60.98639	0.5
70.68269	1.3
71.01311	1.0
80.69531	0.5
85.02872	0.6
89.02378	0.5
113.02397	0.7
117.29646	0.5
118.20417	0.6
123.04426	0.9
137.06053	0.8
137.09669	0.5
139.03929	0.7
151.11157	0.5
159.63855	0.5
162.10402	0.9
165.09097	1.4
165.12808	1.0
167.14160	0.6
179.10710	0.5
189.12788	0.6
191.14424	0.7
193.12286	0.7
202.09029	0.6
217.15788	0.7
220.03488	0.5
235.13580	0.7
261.22214	4.1
279.23334	0.9
291.19482	0.6
291.35880	0.5
305.21204	100.0
306.21564	10.3
323.18805	0.7
323.22269	19.4
324.22507	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	324.0724
Annotation	Midazolam
Peak:m/z	Relative Intensity
52.91372	1.1
55.31265	1.1
59.01370	4.2
68.99818	90.5
71.01367	1.4
71.49815	2.0
90.99319	1.1
96.99312	72.1
97.99670	1.2
119.05033	23.5
120.00922	11.1
133.05066	3.1
139.21278	1.4
144.06694	2.0
148.00407	44.6
148.74265	1.4
149.01077	3.7
150.01955	1.8
162.01941	2.8
163.02774	53.8
163.04015	12.1
164.03539	8.6
165.04356	1.7
178.01605	2.7
178.05098	52.1
179.05394	1.5
180.02939	1.2
180.06631	2.8
190.01398	3.2
191.00632	1.2
191.02170	7.2
198.75821	1.5
199.32243	1.2
205.03836	2.8
206.00963	3.8
206.04469	3.7
218.00848	2.4
221.03262	2.2
232.02507	1.9
233.03259	5.3
234.04147	3.6
236.05608	10.1
264.05124	62.4
265.05487	3.3
284.06772	1.4
309.04861	6.9
316.46204	1.3
324.07236	100.0
325.07471	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	323.186
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03431	3.4
59.01368	15.8
71.01369	4.1
71.51514	4.8
80.02673	5.6
81.03468	2.9
83.05019	4.8
85.02943	4.0
95.04992	4.1
96.95982	10.5
97.02924	4.2
97.06588	58.8
109.06593	42.4
114.99490	3.2
115.42831	2.8
123.08182	4.8
125.09709	54.1
127.38246	2.9
132.88104	2.9
135.08150	24.9
153.09149	4.0
153.35326	3.3
161.06076	42.0
163.11282	7.9
181.12299	7.3
195.61476	3.0
207.10278	26.6
207.77646	2.9
209.11784	7.5
217.16019	2.7
225.11308	20.9
243.17522	4.2
261.18591	4.3
277.18115	3.9
279.15979	65.1
280.16248	6.5
287.16592	23.6
288.16846	3.2
305.17569	100.0
306.17871	12.7
313.22028	3.4
323.09476	5.2
323.15314	4.7
323.18643	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
56.49570	0.9
57.03447	1.3
58.00591	3.0
59.01380	100.0
60.01698	1.6
68.47551	0.9
70.89315	2.0
70.89655	1.0
71.01380	50.7
72.99310	3.3
73.02963	1.7
83.01392	2.3
85.02956	11.9
87.00877	2.2
89.02442	58.9
90.02789	1.2
95.01377	4.9
101.02441	34.0
113.02454	19.5
115.04015	1.2
119.03503	28.6
119.04936	1.2
131.03531	1.7
134.03717	3.5
143.03513	3.0
149.04573	1.6
160.22691	0.9
160.44225	0.9
161.04613	2.5
161.08270	1.8
170.47173	0.9
179.05611	3.8
193.05026	2.8
207.06781	0.9
323.13492	93.3
324.13846	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	323.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
57.14065	0.6
58.00587	1.2
59.01378	44.3
69.62654	1.3
69.63045	2.0
71.01375	7.8
72.99315	2.0
73.02958	0.8
83.01405	1.1
85.02950	2.5
89.02441	8.5
96.04550	0.6
97.06593	3.2
98.20621	0.9
101.02451	7.2
102.05598	7.6
110.06095	0.8
117.03484	1.6
119.03510	0.8
119.05049	0.8
128.07172	1.7
129.01955	0.9
134.03738	17.0
135.04105	0.8
137.02414	1.5
139.51016	0.6
139.73412	0.6
145.07724	1.5
146.04822	1.6
147.03008	1.5
149.02411	0.8
149.06055	1.0
160.06401	15.7
161.07195	66.5
162.07507	2.8
163.04012	0.8
175.08748	42.2
176.09099	2.7
178.02686	0.7
182.11858	2.8
189.06686	100.0
190.07056	6.4
193.05043	19.0
194.05423	0.9
197.75389	0.7
201.05524	0.8
201.10228	0.9
203.08247	38.7
204.08557	2.3
206.08273	0.7
218.19102	0.7
229.09769	1.8
236.20129	3.0
259.06140	0.7
262.18161	1.6
262.20950	0.7
271.07626	0.7
280.19156	3.4
295.12866	0.9
305.11569	1.5
323.08517	1.4
323.12430	25.5
324.12878	2.5
324.18057	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	323.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45604	1.3
56.82187	1.5
69.48521	2.6
69.48927	7.7
70.25037	1.8
76.93668	1.5
81.30461	1.5
85.02949	13.2
89.03970	2.3
97.92278	1.8
98.19849	2.0
100.29200	1.3
117.03464	10.6
129.01965	2.4
134.03738	90.1
135.04085	3.6
143.03490	2.3
147.02985	5.6
149.06094	7.3
156.31787	1.6
162.50938	1.5
164.58769	1.4
169.24376	1.5
178.02713	2.7
193.05057	100.0
194.05397	5.0
200.26831	1.6
219.60103	1.7
297.69553	1.5
332.83560	1.6
337.47604	1.8
346.28421	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	323.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.1
62.30832	1.4
69.15317	14.0
70.03493	1.3
70.32503	1.3
72.99300	8.0
73.02963	1.5
75.84374	1.2
83.81524	1.3
85.02944	26.7
86.17101	1.4
89.03983	1.3
90.90871	1.4
101.02447	2.1
108.02206	1.7
117.03462	3.3
129.01918	9.8
134.03738	100.0
135.04102	3.9
147.02994	69.7
148.01627	2.7
148.03307	1.8
149.02405	1.9
149.06053	4.0
167.69731	1.5
174.38576	1.4
176.01151	24.6
177.01857	4.2
193.05045	69.5
194.05377	3.3
214.65875	1.6
219.02704	1.6
227.16628	1.7
312.27301	1.5
323.07709	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	321.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.2
65.07461	1.2
71.36235	2.1
84.94643	1.2
85.02940	1.7
85.06590	4.9
87.08885	1.2
96.96005	1.7
109.94643	1.3
113.06083	25.2
119.05042	22.5
125.02416	1.4
129.05579	14.8
131.07118	1.4
145.02943	1.8
148.28539	1.2
157.05055	100.0
158.05357	4.3
163.02725	2.4
163.04002	26.8
164.04300	1.7
175.06111	73.6
176.06424	2.7
277.88489	1.2
339.68347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2432
Annotation	6beta,7beta-Dihydroxy-12E-abienol
Peak:m/z	Relative Intensity
54.52307	0.4
59.01357	0.4
68.99797	0.5
71.50026	0.7
79.95734	1.3
80.81436	0.4
96.96010	47.7
101.35033	0.5
121.71725	0.5
122.91943	0.4
136.36757	0.4
147.71687	0.5
167.00299	0.5
218.43143	0.5
221.67249	0.4
237.22238	2.5
243.71387	0.5
251.23744	0.8
259.24298	0.6
277.25354	100.0
278.25711	10.5
279.23270	17.9
279.26401	0.8
280.23666	1.9
280.89194	0.5
321.20963	31.1
321.24359	49.6
322.21304	3.6
322.24713	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	322.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.0
58.00585	3.4
59.01379	100.0
69.37669	4.7
69.38087	3.3
71.01379	52.8
72.99299	5.5
73.02931	2.8
83.01377	4.2
85.02954	15.8
87.00874	2.1
89.02444	57.9
89.03974	1.8
90.02749	1.2
95.01380	4.0
96.95992	1.2
98.19897	2.2
99.00904	1.3
101.02444	29.6
111.00871	1.4
113.02452	22.3
115.03996	1.4
116.05057	38.4
117.03446	3.1
117.05380	1.4
119.03493	20.6
119.04902	1.3
129.01930	1.1
131.03455	2.6
134.03740	40.2
143.03505	4.4
144.04558	1.7
146.06041	1.5
147.02962	3.6
149.06085	2.3
159.03149	2.1
160.04037	62.4
161.02365	1.3
161.04489	6.0
178.02599	1.2
179.05540	2.4
193.05046	35.0
202.05103	29.2
203.05377	2.4
232.06094	5.2
262.07184	44.4
263.07516	2.8
302.92908	1.3
322.09302	54.5
322.13126	2.8
323.09561	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	320.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16521	0.4
59.01373	1.8
71.05035	0.5
85.02964	0.6
105.05831	0.6
118.06602	0.5
119.07398	1.0
132.08197	0.9
134.09753	41.8
135.06795	0.3
135.10104	2.4
136.59723	0.3
148.11325	0.7
161.08432	0.8
172.11337	0.6
174.09319	0.5
175.09998	1.5
189.11542	0.6
190.12366	100.0
191.12711	6.5
202.12468	0.5
214.16025	0.8
232.17000	2.3
233.17395	0.4
246.11327	0.4
250.47554	0.4
258.14911	0.6
276.16022	22.2
277.16278	2.0
302.13928	3.3
320.15015	14.2
321.15256	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	321.0824
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
51.78916	1.7
55.01889	2.1
57.03433	2.4
57.61092	1.8
59.01394	8.5
69.03457	6.3
69.80007	3.9
69.80421	6.0
71.01383	13.8
73.02946	14.7
74.14761	1.9
83.01385	2.6
85.02952	34.6
87.00877	100.0
88.01215	1.7
89.02440	2.4
95.01394	3.1
97.02945	27.9
99.00868	3.8
100.75053	1.9
103.04033	9.1
104.28474	1.7
113.02463	9.4
115.00349	8.2
128.07178	15.8
129.01936	2.8
141.01956	3.0
157.01469	9.9
164.89584	10.4
175.02477	44.2
176.02791	3.2
217.03465	14.8
279.14163	1.8
303.07178	5.1
321.08221	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	321.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.6
59.36196	0.9
69.69672	5.5
71.01357	1.1
73.02927	1.1
84.74893	1.2
85.06615	4.9
98.19943	1.9
113.06078	26.8
119.05020	63.2
120.05364	2.7
125.02325	1.2
129.05573	19.5
145.02919	2.0
157.05054	100.0
158.05365	2.7
163.04004	93.6
164.04308	3.5
175.04752	1.0
175.06139	13.1
190.12373	0.9
202.71588	0.9
241.60457	1.0
259.14755	1.0
312.90033	1.0
321.11523	1.2
321.19232	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	319.0821
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
51.68077	0.5
57.03434	1.2
59.01377	7.4
65.03960	1.7
70.49348	2.3
71.01382	8.1
72.99306	0.7
73.02938	3.4
81.03439	2.5
81.87431	0.7
83.01376	1.0
83.05013	4.3
84.04535	0.8
85.02937	3.2
87.00908	0.7
88.04028	3.8
89.02451	3.7
89.70071	0.6
93.03454	35.4
94.03803	1.5
95.01388	1.1
95.05019	1.7
97.01703	0.6
98.20037	0.8
99.00871	1.2
99.04520	1.0
101.02425	4.6
107.03778	1.1
108.04571	0.6
109.02967	0.6
110.06098	5.5
111.04514	11.8
113.02442	3.1
115.00378	1.5
115.07636	0.7
116.15938	0.6
117.03467	7.5
119.05023	100.0
120.04641	0.7
120.05364	4.1
121.05344	1.1
122.06112	24.4
128.97417	0.7
134.06117	4.2
135.06827	0.8
137.02441	29.7
138.02786	0.9
138.05614	0.8
145.02943	18.1
145.06575	1.0
146.03284	1.0
149.04819	1.9
151.00331	0.7
155.03491	20.7
161.04530	2.4
161.05760	0.7
163.04005	91.8
164.04578	3.3
166.05029	0.9
173.04546	2.0
189.97250	0.9
194.04567	1.9
195.05350	0.7
196.06073	0.7
204.10257	1.2
225.56276	0.6
241.05092	0.8
245.12914	13.5
246.13254	1.0
257.12909	18.9
258.13281	1.3
273.20828	0.7
275.10440	1.1
275.13867	1.1
276.12363	0.8
319.08197	13.0
319.12878	5.3
319.17505	5.5
319.21231	7.6
320.08118	1.0
320.11520	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	319.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
55.07117	1.3
57.03448	20.0
59.01384	10.7
68.99792	1.6
71.01376	12.4
72.99312	2.9
73.02931	3.8
75.00851	1.6
80.96545	1.4
83.01376	9.6
84.02173	3.1
85.02947	100.0
87.00901	2.2
87.04502	2.5
89.02428	4.5
95.31455	1.3
96.95924	1.4
101.02450	10.7
111.00887	32.0
113.02425	2.4
113.06106	1.8
125.02405	1.7
129.01939	30.8
147.02965	1.8
156.78279	1.3
157.08580	2.7
161.04581	2.2
161.74185	1.3
187.02484	1.4
191.01862	2.7
195.10353	1.5
205.03517	24.8
223.04578	48.2
239.09256	1.9
245.63185	1.4
257.36823	1.4
319.13568	4.1
319.17380	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	319.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48938	0.9
58.02978	8.7
59.01369	1.8
60.50637	1.0
69.21814	10.0
72.00915	7.8
82.06622	3.8
91.05540	12.9
105.18362	1.0
112.07675	3.8
118.06616	3.4
126.09238	1.9
129.10341	87.1
130.10681	2.5
131.76340	1.0
147.04521	29.7
148.04883	1.6
150.41986	1.1
153.10329	4.4
154.08748	11.5
164.07162	71.2
165.07477	5.4
165.12776	1.3
171.11397	64.8
172.11763	1.8
183.11511	1.4
183.14032	1.3
209.11877	1.0
227.12854	5.5
233.16586	41.5
234.16887	3.1
245.13931	1.5
275.17639	4.9
277.15591	3.1
319.16614	100.0
320.16959	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.1
58.40136	1.2
59.01382	8.8
62.31293	1.4
68.85750	1.1
71.01385	2.8
71.05022	7.0
72.32263	1.3
74.76254	1.1
95.05045	1.4
96.96014	2.1
97.02945	7.2
97.06604	3.5
99.00880	28.6
105.23824	1.3
108.01261	1.1
109.06585	1.6
110.03717	1.3
123.08150	2.4
125.02425	1.3
125.09723	9.7
127.11298	1.9
132.16089	1.4
153.12907	2.1
155.14439	1.5
163.11304	15.6
171.10378	1.6
181.12332	48.6
182.12680	3.8
183.10313	1.7
197.11827	2.8
199.13387	42.0
200.13783	2.8
207.10252	49.4
208.10748	1.5
225.11311	85.1
226.11615	5.9
227.12997	2.4
243.12367	100.0
244.12689	7.6
299.10388	2.5
299.15112	1.4
317.06815	2.7
317.16086	68.3
317.19617	4.0
318.16440	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	318.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33339	0.7
58.99603	9.8
59.01364	2.9
61.98816	0.9
65.03972	0.8
67.78661	0.8
71.01376	1.5
71.05018	3.0
71.51277	0.9
74.99068	1.0
80.05046	0.8
84.83439	0.7
85.02979	1.4
98.02475	2.9
98.06108	2.4
99.04521	3.1
99.92594	1.6
102.98595	10.5
108.04565	7.6
108.08193	1.0
115.03984	1.6
115.92049	1.8
116.92845	5.2
119.04961	1.0
124.04047	5.5
125.02461	1.3
126.05609	100.0
127.05942	3.6
134.06125	4.6
138.05606	3.4
142.05112	2.4
142.06967	0.9
152.07169	1.1
168.04881	5.4
168.06639	3.0
170.04576	36.8
171.04968	1.4
230.04980	2.4
274.03979	5.4
287.76703	0.9
318.02872	48.4
319.03210	2.7
319.13544	1.3
329.53503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0822
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
51.33756	2.1
57.03451	15.7
59.01376	14.1
69.66935	14.9
71.01381	10.0
73.02949	2.3
74.66759	2.2
81.03448	5.1
83.01389	7.5
83.05042	9.5
85.02940	14.9
87.00893	2.7
89.02454	9.4
89.58905	2.8
93.03459	67.3
94.03812	3.5
95.01411	2.3
101.02448	5.6
109.02955	8.1
111.04528	41.1
113.02454	3.0
117.03487	9.6
119.03631	4.0
119.05031	82.8
120.05336	4.4
121.02931	11.5
123.04603	2.9
123.08371	2.4
125.02444	100.0
133.02974	7.0
137.02437	33.7
145.02945	12.6
146.10599	2.7
149.02434	3.5
151.03925	3.1
155.03503	39.7
161.02457	36.9
162.03030	4.4
163.04013	75.1
164.01146	8.6
164.04346	3.1
165.01926	8.6
165.52914	2.2
173.04533	6.9
174.07832	4.0
176.15431	2.4
177.02112	2.7
191.02023	4.4
197.06062	2.6
209.11827	4.5
225.30908	2.5
269.04578	6.9
287.05609	15.0
289.11765	2.6
301.11902	7.3
319.08435	5.7
319.13101	7.2
319.20865	3.0
330.07358	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	317.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53712	0.4
60.85926	0.4
65.57074	0.4
71.01407	0.9
71.49889	0.5
74.33150	0.3
85.02953	1.1
97.02950	0.4
101.02432	0.4
103.17877	0.5
108.02212	0.5
111.00869	1.9
116.92933	0.4
125.02473	0.6
126.05618	1.3
136.03989	0.6
137.04347	0.5
139.00357	6.8
140.01155	90.7
141.01488	3.4
152.01216	0.4
153.01904	0.6
154.02750	1.1
155.03500	100.0
156.03870	3.4
164.62701	0.4
168.06601	0.4
170.04555	0.5
172.90126	0.4
233.10381	0.4
317.08719	7.2
318.02823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91903	1.0
52.97078	1.0
55.01876	1.8
55.98719	0.9
57.03444	2.7
59.01375	9.2
60.42204	0.9
69.03460	1.9
69.49533	6.9
71.01368	6.6
71.04998	5.6
73.02953	2.0
83.05036	2.2
85.02946	3.1
89.02439	2.4
91.04015	4.5
95.04992	1.3
97.02950	5.2
97.06617	4.7
98.20624	2.0
99.00880	30.3
101.02468	5.4
101.24945	1.0
105.12688	0.9
109.06599	2.0
110.03740	2.0
111.04463	1.2
113.02443	2.3
119.27829	1.2
123.08165	3.0
125.09715	12.8
135.08162	1.0
136.05342	1.1
142.02724	1.9
153.12851	2.5
155.14453	1.4
161.04532	1.1
161.09753	1.3
163.11282	19.6
164.11533	1.1
173.55956	1.1
179.10947	1.3
181.01479	1.2
181.12337	54.3
182.12651	4.7
197.11823	1.5
199.13394	39.4
200.13754	3.3
207.10240	49.3
207.86761	1.1
208.10606	3.8
209.11824	1.2
225.11313	100.0
226.11548	5.7
243.12355	98.1
244.12653	7.3
255.11414	4.0
273.12439	6.2
317.16071	74.2
317.19641	7.9
318.16422	8.3
318.19824	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.66847	0.6
59.74950	0.6
71.01377	2.5
71.27750	0.8
81.03458	0.8
85.02962	1.7
93.03420	0.7
93.88537	0.5
95.01398	1.4
98.19730	0.6
104.47301	0.7
108.02172	100.0
109.02976	25.7
110.03272	0.7
113.02460	1.0
121.02995	0.7
123.00898	0.7
123.04504	1.6
135.04533	0.7
151.04012	1.4
152.01144	60.7
153.01941	22.0
154.02316	0.8
160.46988	0.6
163.04053	1.9
165.01878	2.8
185.03357	0.7
239.67398	0.6
315.07199	76.5
316.07516	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	315.1086
Annotation	Taxicatin
Peak:m/z	Relative Intensity
64.26755	0.4
66.67338	0.3
69.67590	1.8
71.03196	0.3
71.09157	0.4
95.05016	0.6
109.02935	0.7
122.03718	0.9
123.04521	73.3
124.04822	3.1
129.75362	0.4
133.43193	0.3
153.05569	100.0
154.05910	5.3
176.85982	0.3
177.41924	0.4
197.68272	0.4
216.18605	0.3
315.07376	0.5
315.10724	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	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79806	1.6
70.46297	3.2
72.35146	1.7
75.33210	1.6
79.05533	3.4
83.05019	3.1
119.08677	10.6
122.76082	1.6
131.08617	3.9
137.09735	4.2
149.65837	1.9
187.14995	2.0
193.55573	1.6
237.16493	3.9
247.22968	2.0
253.19531	5.7
271.20682	14.6
272.21158	2.0
315.19580	100.0
315.25491	3.6
316.19962	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	315.0511
Annotation	Tricetin 4'-methyl ether
Peak:m/z	Relative Intensity
51.65480	0.5
52.93007	0.6
59.01453	0.5
59.99275	0.6
65.00387	0.5
68.85350	0.4
71.52364	0.8
99.32658	0.4
105.02020	0.9
107.01530	1.2
108.02201	3.1
109.03032	0.8
110.85614	0.5
123.04665	0.6
125.02592	0.7
135.00987	1.1
136.01686	3.1
137.02434	5.5
148.01663	3.2
151.00473	2.1
152.01259	1.0
163.00493	1.0
164.01248	1.1
183.13969	1.3
199.04054	1.4
201.02048	0.7
215.03554	0.8
226.02774	1.3
227.03490	2.9
227.13040	1.1
235.46402	0.5
243.02959	13.3
243.05280	0.9
244.03429	1.3
254.02272	1.5
255.02979	26.5
256.03406	1.9
258.01501	0.5
271.02469	58.7
272.02963	5.6
299.02036	1.5
300.02750	100.0
301.03085	8.5
315.05084	41.0
315.17825	0.7
316.05423	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
71.01388	1.8
71.24596	0.8
73.02949	0.8
76.98524	0.6
80.83996	0.6
81.03458	0.9
85.02957	2.0
85.53008	0.6
95.01397	1.1
101.02435	1.3
108.02173	100.0
109.02973	33.4
121.02953	1.4
121.08942	0.6
151.03940	1.4
151.56277	0.7
152.01151	66.2
153.01936	31.5
154.02200	0.9
163.04056	1.6
165.01860	2.0
226.68459	0.7
303.44580	0.7
315.07202	75.8
316.07562	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	314.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25502	0.7
51.44786	0.5
55.23899	0.6
57.03445	1.6
58.98375	0.7
59.01376	2.3
60.16591	0.6
68.62439	0.5
70.92087	0.6
71.01382	10.2
71.51223	0.9
85.02952	0.9
88.04041	100.0
89.04349	1.3
89.95846	0.5
96.99352	0.6
97.61412	0.5
108.02179	0.6
114.01976	2.5
115.00375	16.1
125.02477	1.6
132.03026	52.8
133.03363	0.9
154.63295	0.7
155.06601	0.6
157.36041	0.7
169.94905	0.6
174.12846	0.8
198.14990	4.1
199.11873	0.8
199.13419	5.8
250.44714	0.7
270.17014	4.1
270.45447	0.6
296.15073	1.2
314.16098	50.8
315.16455	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	314.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24886	1.0
57.03434	2.6
59.01374	1.9
60.99292	2.3
61.98822	1.6
65.00336	1.0
69.61271	5.5
69.78333	0.9
70.04559	0.8
71.01368	2.9
72.00899	3.2
72.04554	2.4
74.02473	100.0
83.05016	1.2
84.04546	2.5
85.02939	1.3
85.06596	1.0
86.02486	2.2
88.04042	13.1
97.06561	2.0
104.03533	19.7
108.02186	1.6
109.02951	1.5
111.08149	2.0
115.00365	2.7
123.04471	2.1
151.03979	1.2
153.01889	1.1
165.12831	8.1
180.13983	2.4
181.15933	2.4
183.13902	2.9
194.92662	0.9
199.13365	1.2
208.17070	67.0
209.11789	1.6
209.17377	4.1
222.15002	21.3
223.15233	1.0
227.12888	3.3
234.14981	2.0
240.16010	7.1
252.16045	20.3
253.16446	1.4
266.13937	12.4
270.17136	3.0
278.13937	2.2
284.15024	17.6
285.15320	1.8
296.15015	6.7
314.16086	80.0
315.16318	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	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.2
57.03194	1.0
57.03449	12.9
58.03753	0.6
59.01382	7.6
67.39441	0.6
70.80196	1.8
71.01387	4.9
72.99311	1.9
73.02934	1.1
75.00873	1.6
83.01374	1.3
84.02174	2.7
85.02950	100.0
85.71027	0.6
86.03295	2.3
87.00859	1.1
87.91864	0.6
101.02436	1.5
103.00376	2.3
104.93712	0.6
115.00379	1.3
121.02959	7.3
129.01938	9.9
147.03004	11.3
173.00896	1.6
187.69846	0.6
191.01970	17.2
231.03146	0.7
239.67525	0.7
251.05487	1.0
265.74185	0.8
289.52805	0.6
295.04761	1.2
313.05771	2.2
321.13748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88238	0.9
57.03462	1.1
57.44060	1.0
59.01377	27.0
64.28183	0.9
71.01384	1.4
71.51515	1.0
75.00848	1.2
75.44257	0.9
77.14447	1.0
83.05013	1.0
85.02956	5.3
87.00874	79.3
88.01257	1.2
89.02457	1.0
97.06562	1.4
99.00893	1.5
101.02445	3.7
105.01934	1.4
107.05020	1.3
115.03970	1.9
121.02940	1.3
125.02390	2.6
127.04007	9.2
130.08737	0.9
133.78108	0.9
134.03740	2.2
137.02423	2.7
138.03220	2.5
139.00357	1.3
141.67244	0.9
145.01424	6.5
149.06096	1.7
150.03191	2.8
151.04001	11.0
154.02733	3.1
155.03381	1.3
162.02939	1.1
163.03955	2.1
163.11282	5.3
164.04816	1.4
165.01936	4.9
165.05577	25.4
165.88533	1.0
166.06360	7.3
169.01553	1.1
171.02956	2.5
181.05035	5.5
181.08720	2.3
207.10202	1.8
209.99884	1.1
225.07675	100.0
226.08028	5.6
313.05746	1.6
313.09323	11.9
313.12900	3.2
313.16718	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	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.95874	0.4
59.01367	1.5
62.26383	0.4
63.17472	0.4
67.21327	0.4
84.34090	0.5
88.44339	0.4
88.52286	0.5
97.06560	0.5
113.09722	1.1
115.07627	0.8
127.07592	0.7
128.08429	0.8
129.09225	0.5
167.14381	3.9
183.01215	0.6
183.13861	2.3
195.13914	9.9
196.14200	0.7
211.13393	1.1
213.14940	1.5
229.30925	0.5
242.15196	1.2
246.11794	0.5
265.21823	0.4
267.23367	0.9
275.20102	1.0
293.21225	8.8
311.13181	2.0
311.22250	100.0
312.17139	0.6
312.22629	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	313.0563
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.53835	0.6
55.01868	2.1
57.03443	13.6
59.01377	6.6
67.01883	0.7
69.96912	1.6
69.97326	1.0
71.01385	2.6
72.99297	1.6
73.02943	0.6
74.02408	0.6
75.00880	0.7
79.95752	1.9
83.01390	1.5
84.02180	2.5
85.02948	100.0
86.03298	2.4
87.00842	1.4
90.20011	0.5
96.96008	49.1
97.06535	0.7
98.20657	0.9
101.02436	1.4
103.00379	1.3
111.00869	1.2
115.00372	0.7
121.02962	5.3
127.04038	1.2
129.01945	7.2
137.02440	0.9
147.02977	12.7
157.08524	0.5
165.34566	0.6
166.02750	2.8
173.00853	0.7
191.01981	15.1
192.02255	0.7
254.65384	0.6
313.05585	1.5
313.09445	2.6
313.13235	44.5
314.10056	0.7
314.13437	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	311.2227
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03432	1.5
59.01371	3.3
69.03438	1.5
71.01353	0.9
83.05042	1.2
83.42516	0.8
89.38509	0.7
94.84071	1.0
98.20686	1.7
99.08154	3.5
111.08183	1.3
113.09739	5.3
127.07648	0.9
127.11283	1.4
129.09230	11.4
139.11276	2.1
139.29211	0.8
151.11218	1.3
153.12843	1.1
155.10732	1.4
167.10727	1.2
169.12344	4.1
171.10251	7.9
181.12350	6.8
183.01198	1.2
183.13846	4.8
185.11829	0.9
193.12334	3.2
197.11826	12.6
198.12057	1.2
199.13440	6.1
201.11253	1.8
211.13383	24.1
212.13655	1.2
231.21460	0.9
275.08582	1.0
275.20288	1.6
293.21198	20.7
294.21591	2.5
311.16592	2.9
311.22260	100.0
312.22617	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	311.2226
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03442	2.4
59.01360	4.4
71.26237	1.7
71.26590	2.1
95.13296	1.1
97.06575	1.4
99.08154	3.6
104.00985	1.2
106.71576	1.2
113.09753	3.5
129.09229	5.2
132.95499	1.1
139.11252	3.5
169.12315	2.3
171.10291	10.4
181.12376	3.2
183.13844	2.4
193.12379	6.4
197.11816	12.3
199.13382	4.6
211.13399	19.3
220.93364	1.4
265.21677	2.4
293.21243	29.2
294.21735	2.8
311.22269	100.0
312.22632	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	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66595	0.6
55.01873	0.8
55.82082	0.6
59.01379	2.0
60.19255	0.7
60.74469	0.7
61.36167	0.5
66.11532	0.6
69.39344	4.0
71.01382	1.7
73.02956	3.3
75.00876	5.5
79.22478	0.7
83.05006	0.6
85.02940	1.3
87.00872	2.5
96.96013	1.5
99.00864	0.9
103.04036	1.0
105.01927	2.7
119.05024	65.0
120.05363	2.8
129.01918	0.8
131.03513	0.7
135.04544	0.8
147.03026	1.9
149.04578	1.3
163.04008	100.0
164.04324	4.2
165.04047	23.9
165.05473	1.2
223.06102	1.2
266.90439	0.7
284.05359	0.7
311.04440	0.8
311.07870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16970	1.2
56.74426	1.2
59.01370	3.1
71.01362	3.4
71.05863	3.1
71.10092	1.2
72.99298	2.0
75.00875	19.9
80.71122	1.3
84.96091	1.3
85.02949	2.3
87.00882	11.1
89.02457	1.5
96.96005	29.2
99.00894	3.1
101.02457	1.8
105.01920	11.2
117.01902	1.7
119.05028	51.3
129.01933	3.5
131.03497	4.4
137.02377	1.5
147.02980	4.1
147.04065	1.3
149.04515	1.6
163.04013	45.0
164.04350	1.8
165.04037	100.0
166.01007	1.4
166.04388	2.7
174.15929	1.2
181.03172	1.7
187.79321	1.3
191.86908	1.9
195.03319	1.5
213.27182	1.3
219.83400	1.2
223.06119	1.8
224.28343	1.5
311.11679	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.9
59.01374	8.0
69.03452	1.8
69.39551	7.1
71.01386	1.0
72.99294	1.0
79.95729	1.6
83.04996	1.0
83.24911	0.9
84.34654	0.9
85.02973	0.8
87.00882	18.2
89.03960	1.2
90.86649	0.8
94.06577	1.7
96.96014	10.8
101.02437	1.4
105.01935	13.2
107.03815	1.3
111.00896	1.5
112.79745	1.1
113.02469	1.0
117.03491	1.4
119.05010	1.5
121.02947	12.8
122.06111	1.7
131.03535	1.2
132.02197	2.0
134.03745	4.2
135.04489	1.4
147.04520	6.8
149.02437	72.0
150.02774	3.2
152.01102	2.1
160.04034	1.7
163.03992	2.3
164.04796	50.9
165.05109	3.1
169.05032	0.9
179.07045	4.3
179.08397	1.4
189.04291	1.2
190.02658	1.6
192.07875	2.6
193.01419	3.0
193.05006	4.1
201.35732	1.1
207.10236	2.5
208.03720	10.5
223.06111	100.0
224.06473	6.9
294.09698	1.2
311.11786	7.9
311.29300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03439	2.7
59.01385	4.2
65.28468	0.8
69.03445	0.8
69.66647	4.6
76.84998	0.9
81.31898	0.8
83.05004	1.3
97.02985	1.5
97.06573	0.8
111.71707	0.7
112.60119	0.8
113.09718	2.1
121.10203	2.6
125.09719	3.5
125.34426	0.8
127.11317	3.3
128.36836	0.8
139.11296	13.2
154.16005	0.8
155.10732	2.2
167.10811	1.6
171.10268	51.2
172.10579	2.6
183.01186	2.2
183.10263	3.5
185.11801	9.4
193.12341	6.1
197.11816	1.5
201.11368	5.1
211.13397	5.7
249.22240	1.6
275.20166	4.0
291.19757	1.3
293.21225	31.5
294.21539	2.6
311.17197	3.9
311.22260	100.0
312.22638	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48819	1.2
57.67685	1.3
59.01381	1.6
69.03466	1.6
70.81377	2.4
73.02958	1.2
78.31707	1.2
111.08154	30.8
127.07655	1.9
151.11107	1.7
152.08540	1.4
153.12836	1.9
169.12340	6.7
181.12297	2.6
191.04723	1.2
197.11819	100.0
198.12088	5.9
199.13402	4.4
209.15414	1.3
211.13426	8.8
227.12787	2.4
263.20120	8.5
265.18048	2.4
291.16675	1.7
291.19720	20.4
292.19940	1.7
309.17120	3.1
309.20654	32.7
310.20944	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01369	1.9
71.34748	0.6
71.35085	0.7
82.10271	0.6
85.75340	0.6
91.54814	0.6
95.05030	0.8
96.96011	1.4
97.02959	0.6
97.06571	2.8
99.08138	0.7
100.63528	0.7
111.08159	0.8
113.09712	3.3
115.07617	1.6
116.73790	0.6
125.06084	1.3
126.06838	1.1
139.11237	1.2
141.09207	2.3
151.07648	1.4
151.11250	0.9
152.08366	1.5
163.11308	0.8
165.12863	4.6
167.10771	1.0
167.14423	2.5
175.11270	0.6
181.12334	5.5
183.13924	1.7
193.12326	2.3
193.15921	1.0
195.13878	2.4
197.11816	1.1
209.11807	0.6
209.15428	2.0
211.13347	5.9
212.13722	1.0
213.14835	1.2
221.15440	2.4
222.23068	0.6
239.12717	0.9
240.13654	2.2
241.14449	0.8
247.20679	5.2
273.18625	3.1
281.21127	2.2
291.19644	52.2
292.19922	5.4
309.20682	100.0
310.21051	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70101	1.5
57.03438	7.4
59.01382	4.6
69.03453	6.3
71.05009	4.1
71.30504	1.7
83.05044	4.0
85.06593	2.3
93.17621	1.9
97.02949	19.4
97.06583	2.9
102.87189	1.9
109.06606	3.2
111.08167	3.1
123.35623	1.6
125.09740	1.9
127.07605	1.7
137.09708	4.4
163.11269	2.8
165.12822	6.3
171.10295	10.6
179.14389	3.9
181.12328	3.3
193.12341	3.3
193.15883	2.1
195.13893	17.3
197.11726	2.6
209.11835	4.9
211.13409	5.1
217.16029	1.7
221.15486	15.9
223.13358	9.7
224.13310	1.8
227.12862	4.1
227.65941	1.7
229.62651	1.7
239.16539	5.4
247.20692	7.4
251.16498	4.5
257.29623	1.8
273.18433	4.1
291.19659	100.0
292.19995	11.9
303.25714	1.5
309.20706	89.4
310.21063	10.0
328.37912	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63298	1.3
57.03437	1.8
58.00581	1.7
59.01363	2.1
59.39920	1.3
69.03467	2.7
78.44363	1.2
83.05023	1.7
97.02940	8.8
98.19897	4.6
109.06597	2.5
111.08159	35.2
112.08466	1.4
125.09700	1.3
127.07620	1.3
137.09721	2.5
153.12808	2.3
165.12895	3.0
169.12381	7.0
171.10252	2.9
181.12425	2.1
182.03302	1.3
183.13864	1.7
187.09549	1.3
196.92049	1.2
197.11833	100.0
198.12129	6.0
199.13293	3.3
203.21214	1.3
209.11917	2.1
209.15417	1.7
211.13377	10.8
223.13551	2.1
227.12862	4.3
236.45993	1.3
247.20630	3.8
248.23969	1.5
263.20206	4.0
273.18665	2.2
291.19666	44.0
292.19946	4.2
309.17355	2.0
309.20694	53.0
310.21097	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	309.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98846	0.3
63.96240	16.4
64.97023	3.7
69.21188	2.5
69.21592	0.4
71.01377	2.2
76.04739	0.3
79.95737	2.3
80.96517	50.8
82.72867	0.3
84.02159	2.5
84.46355	0.4
85.02966	0.3
87.00867	0.8
90.98595	100.0
91.98973	0.6
96.02261	0.3
96.96051	0.5
96.99300	0.4
98.19873	0.6
127.11305	2.1
129.12872	1.1
134.97604	0.5
146.03940	0.3
152.98640	1.1
173.11774	0.5
178.96564	28.1
179.96907	0.5
227.12898	3.2
265.17725	0.3
272.73129	0.3
309.10144	23.2
309.17398	1.0
309.20615	0.7
310.10403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14742	0.5
57.84968	0.5
59.01374	2.2
63.96237	15.7
64.97028	3.8
71.01382	2.5
79.95731	3.1
80.96517	52.9
81.09894	0.5
84.02173	2.5
90.98595	100.0
91.98975	1.0
96.95993	1.5
98.20667	1.3
115.09200	0.6
121.45409	0.5
127.11295	2.5
129.12877	0.8
142.34998	0.5
147.98358	0.6
152.98631	1.6
169.09850	0.6
178.96550	30.7
179.96848	0.8
185.44148	0.5
193.63441	0.5
227.12903	3.8
229.16919	0.6
291.19714	0.7
309.10144	23.0
309.17188	1.0
309.20648	2.0
310.10275	0.8
312.07230	0.7
326.41327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03453	5.9
59.01377	9.9
59.82433	3.3
71.01375	5.5
80.96517	4.5
96.96014	100.0
97.02976	4.5
97.06577	6.9
103.60522	3.5
111.08153	15.0
113.09715	5.4
114.84803	3.5
121.03009	3.3
125.09686	4.2
137.09764	4.5
151.04071	8.6
151.07646	18.9
151.11266	11.2
152.08363	12.8
165.12869	20.6
171.10208	4.1
179.10741	5.9
181.12347	16.3
183.01176	8.4
183.13870	7.4
195.13841	5.6
197.11824	28.7
208.11043	4.1
209.11867	26.3
209.15422	25.1
211.13383	12.2
223.04405	5.4
228.54572	4.1
247.20663	10.0
252.10063	6.4
265.17996	7.6
273.18597	5.7
291.19635	65.6
292.19882	4.9
309.14719	16.4
309.17175	97.3
309.20752	76.2
310.17862	7.5
310.21039	5.4
319.88037	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
66.10541	1.3
67.01905	1.6
69.21259	12.8
96.95996	7.9
97.06544	2.0
109.06547	1.7
111.08186	9.8
121.10239	11.5
123.08157	2.5
125.09703	6.8
127.07718	1.4
137.09703	2.3
166.60847	1.2
167.14461	1.6
169.12305	2.3
171.10263	5.3
181.12102	1.6
185.11842	12.1
197.11848	25.5
209.11740	2.1
211.13397	62.4
212.13748	4.7
247.20647	1.4
249.24556	1.3
251.16362	1.9
262.89087	1.4
263.20264	3.5
273.18466	2.6
291.19656	100.0
292.19968	11.3
309.17328	3.0
309.20657	23.7
310.21030	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96687	1.0
70.63947	1.7
70.64320	2.1
71.01011	1.4
71.01382	24.6
74.57584	0.8
80.12681	1.0
86.58826	0.9
89.03967	2.8
110.02499	1.7
110.75542	0.8
115.00363	10.1
117.03456	8.0
121.91735	0.9
124.46552	0.8
133.01433	7.0
134.03740	87.8
135.04059	4.9
137.02431	1.1
149.06091	8.5
149.76971	1.1
163.03958	1.0
178.02699	5.4
193.05048	100.0
194.05382	4.9
195.17268	1.0
230.82085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.7
59.01377	0.9
60.18458	0.7
69.73714	4.5
71.01386	2.3
72.99305	12.4
73.02958	1.4
85.02952	28.9
87.02899	1.0
96.96014	1.0
97.06616	0.9
98.20580	1.6
101.02442	2.1
103.03983	2.5
115.00354	2.8
117.03485	1.0
123.32742	0.8
129.01953	13.8
133.01392	3.3
133.02899	1.0
134.03741	14.4
135.04529	16.5
144.04877	1.0
147.02995	100.0
148.03322	2.7
149.06070	1.1
161.02394	1.4
174.01657	0.9
179.03513	14.2
193.05057	11.3
206.15584	1.1
231.53288	1.0
309.09943	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	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63033	1.6
70.88241	2.1
70.88577	2.6
71.01388	24.3
72.99301	3.0
78.07664	1.4
89.02453	1.4
99.31053	1.5
111.00860	3.8
115.00375	39.9
115.01159	3.1
117.03471	4.6
133.01428	94.8
134.03743	100.0
135.04085	3.1
147.03027	2.3
149.06099	4.8
193.05055	71.6
194.05415	4.1
195.91283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
59.02649	0.2
67.15578	0.2
71.01379	3.0
79.95760	0.4
80.96515	100.0
81.96463	0.3
90.98576	0.6
96.96004	0.9
96.99288	0.2
100.96268	0.2
114.20901	0.2
134.97585	1.9
178.96547	0.5
227.12805	0.5
229.18047	0.3
243.92552	0.2
265.11142	6.1
266.11401	0.3
291.19647	1.0
309.10138	12.9
309.13626	0.8
309.20389	1.3
310.10388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.02968	0.4
59.01378	1.0
59.51329	0.4
69.48370	2.6
71.01377	5.7
71.71837	0.3
72.99310	1.0
74.02473	0.8
84.45332	0.3
85.02947	2.6
86.03265	0.6
88.04039	30.0
89.04415	0.4
96.96021	0.4
98.77383	0.4
99.05616	0.5
99.21300	0.4
114.01960	4.8
115.00374	12.2
122.98028	0.4
128.03531	1.3
129.01926	1.2
132.03024	100.0
133.03401	1.8
134.03734	11.9
135.04459	1.0
143.04630	1.4
145.05196	0.4
147.02971	5.6
149.06067	3.9
160.01640	1.3
175.03993	1.2
179.03473	1.1
187.06503	0.4
192.06639	0.8
193.05052	4.7
205.07187	0.4
218.07982	0.4
236.56235	0.4
246.07773	0.4
254.07707	0.6
264.08691	1.3
272.08911	0.6
292.71381	0.4
308.07745	8.8
322.40662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48369	0.5
53.27288	0.5
54.35193	0.5
57.03445	6.1
61.40616	0.5
67.82439	0.5
71.01390	1.9
72.99305	12.6
73.02961	1.7
85.02948	27.8
88.86960	0.5
98.19882	1.5
101.02437	3.2
103.04021	1.7
115.00378	1.6
129.01942	15.0
130.44154	0.6
133.01448	4.6
134.03735	7.8
135.04520	17.1
141.32451	0.6
147.02995	100.0
148.03366	2.4
152.21898	0.6
179.03488	14.3
180.03828	0.8
193.05057	5.8
262.44421	0.7
291.17523	0.6
309.10052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03431	8.9
59.01373	12.9
69.03453	3.2
70.67290	2.4
71.01378	10.5
73.02940	3.6
80.02667	2.6
81.03448	2.6
83.05032	4.9
85.02956	2.6
93.03516	2.9
95.05038	3.9
96.15010	2.4
96.96009	10.6
97.06600	20.7
98.20770	4.9
108.25883	2.5
109.02971	2.2
109.06586	5.4
111.08125	7.0
125.09731	4.5
137.02504	3.3
137.09744	3.2
149.06154	3.2
149.09714	5.0
150.20805	2.4
151.11282	20.9
153.09244	3.0
155.10767	16.4
161.04556	3.4
161.09741	3.9
163.11250	8.6
165.12839	20.3
167.10834	6.2
169.12355	5.0
177.12822	5.6
179.10826	3.6
181.12331	22.7
189.17984	2.6
191.10808	8.8
191.14406	9.7
207.48787	2.5
209.11838	42.1
210.12097	4.0
211.13376	6.9
224.10619	2.5
239.09178	4.9
245.19070	37.2
246.19385	3.1
260.02219	2.9
261.18515	3.6
263.20129	11.4
271.16913	2.9
279.19589	5.0
289.18103	54.7
290.18451	8.6
307.15881	6.0
307.19138	100.0
308.19412	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
54.79713	0.3
57.62622	0.4
57.69346	0.3
59.01369	0.7
59.18334	0.3
64.14832	0.3
68.39105	0.3
71.01363	0.6
76.52085	0.3
77.63529	0.4
96.96011	1.2
130.14340	0.4
153.31966	0.3
161.04538	0.6
182.71333	0.4
211.61563	0.3
213.11731	0.3
229.37541	0.4
289.18207	0.4
307.22766	100.0
308.23093	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03445	0.8
59.01379	4.1
60.11796	0.7
60.27594	0.6
62.16521	0.5
69.03430	1.5
69.97730	0.6
71.01368	1.0
71.05015	4.8
76.32599	0.6
80.02676	1.8
81.03458	2.3
83.05035	2.4
95.05035	2.1
96.96007	8.0
97.06557	1.0
98.03728	1.7
101.67078	0.6
106.04234	1.3
109.02955	0.8
109.06588	16.8
110.06891	0.7
111.04522	6.4
111.08128	1.2
119.08691	1.0
121.06561	1.4
123.04533	1.0
123.08164	2.1
127.06828	0.6
127.07613	3.2
135.69649	0.7
136.38275	0.6
137.06094	0.8
143.10794	2.1
145.06589	2.1
149.06062	0.7
149.09749	1.4
151.11263	0.7
161.04564	0.8
163.11301	0.8
167.10742	2.9
169.12241	0.7
179.10796	1.1
181.12302	0.9
186.46532	0.6
191.14403	1.2
195.13887	3.8
219.30347	0.6
235.05742	0.6
235.13339	1.8
245.19096	6.1
251.16466	1.7
271.17032	1.4
273.14941	1.2
277.80066	0.6
287.16461	1.8
289.18085	100.0
290.18420	9.8
307.02728	0.7
307.15805	5.1
307.19153	12.2
308.19373	1.4
326.51431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	12.4
59.01377	11.3
71.01379	7.6
81.03435	3.2
83.04985	6.3
85.02930	2.9
95.05006	4.9
96.28820	2.1
96.95995	38.2
97.06582	21.9
109.02915	3.2
109.06621	5.0
111.08160	13.8
121.06586	2.4
123.04514	4.3
123.08138	4.6
125.09711	5.6
137.09737	2.6
147.11746	2.3
149.09747	4.5
151.11278	25.4
151.85899	2.3
153.09235	4.0
153.12822	3.6
155.10785	11.8
156.92815	2.3
163.11296	5.4
165.12846	28.2
166.13171	3.2
167.10690	5.0
168.11475	2.6
177.09273	3.1
177.12860	4.0
177.87589	2.6
179.10773	8.7
180.72263	2.1
181.12329	31.9
191.10751	14.3
191.14365	11.0
195.10281	3.2
197.11867	4.4
205.12337	4.6
209.11830	61.0
210.12198	4.2
211.13326	11.0
224.10469	4.2
225.37035	2.3
235.20547	2.5
239.09229	4.1
245.19070	38.7
246.19365	2.8
263.20151	14.5
263.22659	2.3
279.19623	5.5
289.18091	48.9
290.18317	5.0
307.15753	25.4
307.19110	100.0
308.16223	4.3
308.19357	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03444	3.3
58.01443	1.1
58.59460	1.1
59.01379	3.3
65.03961	9.3
69.03445	2.2
71.01392	2.1
71.05027	6.0
79.05522	2.1
80.02692	2.5
80.96545	1.1
81.03478	1.9
83.05038	6.3
85.06626	1.6
93.03453	21.7
96.96011	3.5
97.06598	15.5
106.04235	3.2
109.06619	2.6
111.04511	1.7
111.08273	1.5
113.30592	1.1
115.05550	2.0
117.07114	21.5
119.05011	5.5
119.08669	31.7
120.05791	3.8
121.06603	11.5
123.08181	2.3
124.80884	1.2
125.09721	21.7
133.06602	6.9
135.01843	1.1
135.08165	100.0
136.08464	6.8
136.83247	1.1
137.09706	3.4
138.06781	1.6
138.54333	1.1
171.10268	77.3
172.10582	4.7
185.11768	11.1
205.15991	1.5
205.47221	1.4
209.11766	11.4
211.13461	6.7
220.82112	1.2
231.14043	1.5
233.15492	5.7
235.13388	9.8
245.19081	5.1
249.14977	6.6
252.13632	2.6
261.18497	3.2
266.24158	1.2
271.17014	4.3
279.19592	5.8
289.18100	72.9
290.18329	8.8
307.15860	1.9
307.19144	31.8
308.19443	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
72.36770	0.4
74.99072	6.3
91.02206	2.7
93.00119	1.4
114.87198	0.5
143.05333	0.5
149.00935	2.4
159.08464	6.5
161.06390	1.3
192.98215	0.9
206.99635	1.3
209.01300	2.6
217.07199	1.0
223.02829	50.8
224.02901	4.3
241.03903	0.5
275.06006	0.4
289.07532	2.0
291.09094	100.0
292.09195	11.0
307.12415	2.3
307.19156	0.9
309.10239	1.0
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
50.73710	1.3
51.44489	1.1
54.02744	1.2
57.03460	5.9
59.01373	8.6
67.01859	2.2
69.03432	2.2
69.83008	1.2
71.01369	2.3
80.02688	1.4
81.03444	4.6
83.01393	6.2
83.05011	4.1
93.03440	1.1
95.05008	5.1
96.46563	1.1
96.96006	7.8
97.02940	5.9
97.06581	9.6
98.20672	2.6
106.04273	1.5
109.02970	1.2
109.06565	3.3
117.43486	1.5
119.08621	1.6
121.06575	3.6
123.04520	9.5
123.08141	5.4
125.06112	1.3
125.09733	15.0
128.46889	1.1
135.08136	2.8
137.06107	2.0
137.09735	12.7
141.12843	3.1
145.00684	1.2
149.06020	4.0
149.09711	1.5
149.13394	1.4
151.11285	3.3
161.09706	1.8
163.07590	1.8
163.11296	15.1
165.12836	3.0
167.10757	1.6
171.10181	1.7
177.12794	1.7
179.10728	3.7
181.12318	4.8
185.11824	21.1
186.12114	1.6
191.10806	2.5
191.14406	20.6
192.14838	2.0
207.10236	10.1
209.11806	32.4
210.12215	2.0
211.13257	1.4
217.16031	1.5
223.42538	1.5
225.11314	12.7
227.30785	1.3
233.15381	1.5
243.17484	1.6
245.19083	43.1
246.19351	4.4
261.18716	1.6
263.20105	2.3
271.16968	4.1
289.18094	100.0
290.18362	7.6
307.15848	4.8
307.19119	54.8
308.16135	2.0
308.19312	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	307.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23121	1.0
59.01382	5.6
67.31530	1.1
69.03467	1.3
69.57600	3.2
69.58009	4.3
69.72369	1.0
71.01378	5.2
71.05010	2.2
73.02945	3.2
80.01036	1.0
85.02981	2.6
90.35609	1.0
97.02876	1.1
99.04514	31.4
101.02444	4.6
113.02420	2.6
115.04004	23.8
119.05024	54.0
120.05362	2.3
143.03496	100.0
144.03772	2.3
161.04576	15.0
163.04004	83.8
164.04327	3.9
187.07545	3.2
264.13184	1.6
307.11951	1.9
307.17627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05029	0.9
52.43878	0.9
58.58180	0.8
59.01371	4.7
62.29508	1.1
71.01375	5.8
71.05018	2.3
73.02961	3.4
85.02944	2.5
96.96070	1.3
99.00832	1.1
99.04519	32.1
101.02430	5.3
113.02441	1.7
115.04013	25.7
119.05029	59.6
120.05333	1.9
143.03497	100.0
144.03815	3.7
151.62836	0.9
161.04555	13.7
163.04005	81.9
164.04370	4.4
179.57097	1.0
187.07642	2.5
263.12851	2.0
277.85034	1.0
307.08463	1.0
307.12015	1.4
307.17728	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87476	0.2
59.01365	0.4
59.96738	0.3
74.99073	7.3
81.97950	0.3
91.02200	2.4
93.00147	1.4
141.07480	0.3
143.05336	0.4
149.00931	3.0
157.88982	0.3
159.08461	7.4
161.06416	1.5
172.98741	0.3
192.98120	1.0
206.99657	1.5
209.01283	3.0
210.01366	0.3
217.07202	0.9
223.02829	49.5
224.02840	4.8
225.00760	0.3
241.03877	0.5
271.04211	0.3
275.06128	0.3
289.07578	2.3
289.18088	0.5
291.09091	100.0
292.09207	13.0
292.98367	0.3
306.11194	0.3
307.12314	2.6
307.19049	0.5
309.10190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
51.02058	0.4
57.03443	0.5
58.02974	14.3
58.99596	0.6
59.01362	1.0
59.70354	0.5
62.12606	0.4
64.85361	0.5
65.98405	0.5
66.03484	2.0
68.05070	1.0
70.02975	2.5
71.01386	1.1
71.09966	0.9
72.00906	2.1
74.02473	28.4
75.02825	0.6
80.03801	0.6
81.04591	1.5
82.02983	3.0
84.04559	1.3
85.02965	4.0
85.04085	1.6
86.02478	11.9
86.06118	1.4
86.99134	2.1
87.05634	11.5
88.04043	1.2
90.00183	4.2
95.06153	0.5
96.04560	1.0
96.96016	0.6
97.04081	4.0
98.06120	0.6
99.05641	25.2
100.04065	0.7
101.07217	4.1
102.05606	3.2
107.06151	1.6
108.04563	1.0
109.04059	3.9
109.07711	1.0
110.02472	0.7
111.05627	2.2
112.04029	3.3
113.03580	1.6
113.07182	0.6
115.83141	0.5
116.01770	1.9
119.05005	1.2
120.01229	1.0
121.03998	0.6
123.05632	2.5
124.04053	1.9
124.07670	0.7
125.03561	2.1
126.01971	1.0
127.05131	5.4
128.03539	68.4
129.01981	0.6
129.03897	1.6
129.99652	0.8
131.04648	2.3
133.03032	0.5
135.05637	5.3
137.07175	2.2
138.05542	0.6
139.05121	0.6
141.06712	8.3
142.05135	0.6
143.04619	100.0
144.01244	0.6
144.04996	2.4
145.02982	0.8
145.06183	3.4
146.04597	8.9
149.07147	0.5
153.06717	5.5
155.08275	1.1
160.00743	23.8
160.06221	0.6
161.04588	0.6
166.09848	4.0
167.04619	7.3
167.07016	0.4
167.08247	2.9
170.03308	0.9
171.04118	1.0
171.07784	1.1
174.01675	0.5
177.03400	8.4
179.04620	19.6
180.04922	0.8
180.07813	0.9
181.06227	2.3
184.10918	1.2
185.05656	4.4
191.01965	0.7
192.07806	1.2
197.05710	4.1
198.08803	1.6
210.08842	22.1
211.09195	0.5
213.03435	0.6
228.09819	2.1
231.04398	0.6
236.06760	0.5
242.07846	2.8
254.07817	24.9
255.08208	1.1
260.08920	0.5
272.08859	28.6
273.09131	1.2
278.70432	0.5
288.06586	5.7
306.07626	35.3
307.07846	2.9
307.13876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
71.01383	10.5
89.18093	0.5
96.96018	0.8
97.02858	0.4
100.35047	0.5
101.02380	0.5
105.05872	0.5
115.00366	11.3
118.06593	0.5
128.03549	1.1
132.08095	0.5
134.09760	34.6
135.10089	1.7
137.04758	0.6
143.04561	0.5
161.04614	0.6
161.08426	0.7
174.16899	0.5
175.10023	1.1
183.75461	0.5
190.12366	100.0
191.12703	5.6
218.15443	3.4
262.14447	9.1
263.14853	0.7
288.12375	0.7
306.13397	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54822	0.3
61.98829	100.0
62.98512	0.3
63.99264	0.3
69.75038	1.3
89.17606	0.3
98.19888	0.4
98.24939	0.2
108.11664	0.3
121.02902	0.3
159.42227	0.2
161.98947	1.5
162.98537	0.5
163.98651	0.4
164.96388	66.1
165.96454	3.8
174.45091	0.3
206.97437	27.2
207.97574	1.9
222.95525	0.3
247.59799	0.3
264.96613	0.4
306.97522	18.1
307.97598	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	305.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30718	0.8
57.03442	4.4
58.99599	0.9
59.01378	16.0
61.98839	0.8
63.96218	1.6
64.71519	1.0
69.03441	1.7
71.01389	4.7
71.08366	1.4
71.08753	0.8
72.00910	2.6
72.99271	1.0
73.02946	1.2
76.97019	1.7
79.95728	1.8
83.05040	2.0
85.02947	33.2
85.03460	1.8
85.46768	0.9
86.02478	1.3
87.00871	1.6
89.02447	1.2
93.03468	1.4
98.99079	1.1
101.02424	2.1
103.00380	1.0
109.02930	1.5
109.06570	2.7
111.00833	1.2
111.04490	2.7
113.02460	1.0
114.05579	6.7
115.04076	0.9
120.09970	0.9
125.02436	4.2
125.06089	1.9
127.03973	1.2
127.08759	1.0
128.03473	1.0
129.06712	3.6
130.08737	71.8
131.09087	1.6
133.02885	1.1
137.02431	1.0
142.05095	1.1
143.04640	1.3
143.07149	1.5
146.77850	0.8
147.02986	1.0
155.10809	1.4
155.11902	12.2
156.06644	1.5
156.12238	0.9
161.04555	0.9
171.07782	2.8
183.15051	2.1
184.08022	1.4
186.07729	8.0
191.01996	7.4
197.16592	2.3
199.10864	18.5
200.11124	1.0
209.02974	6.3
227.14038	1.2
241.15559	50.2
242.15924	2.3
273.12790	19.2
274.13010	1.6
290.13040	7.5
305.06354	1.8
305.15439	100.0
306.15781	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	306.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70642	1.2
59.01376	8.3
61.98830	100.0
64.97311	1.3
69.09898	1.4
71.01376	8.1
71.49978	1.9
72.99284	1.8
83.01361	1.5
85.02972	3.8
89.02443	3.0
99.04488	2.6
101.02453	5.0
107.63757	1.2
113.02444	3.3
114.56383	1.2
119.03538	2.1
161.04576	4.8
161.98943	3.0
163.98616	2.7
164.96419	1.6
178.06409	1.4
217.80122	1.7
249.09778	2.6
306.00073	4.2
307.10187	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24598	0.3
58.02974	40.0
59.03295	0.5
59.11903	0.3
73.84493	0.3
75.70734	0.3
82.40692	0.3
91.44576	0.3
101.05965	0.4
106.62805	0.3
112.18991	0.3
139.88348	0.4
145.83397	0.3
168.13931	100.0
169.14273	5.4
195.25444	0.3
202.21097	0.3
212.12938	3.5
213.13321	0.4
304.19180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
57.03452	16.3
58.02981	1.5
59.01374	3.8
67.01884	0.8
69.03452	0.9
70.57787	1.4
70.58154	1.1
71.00629	0.7
71.01384	2.4
74.02470	5.2
81.03468	2.2
83.01377	5.5
83.05047	1.1
85.02948	10.0
85.04077	0.7
86.02515	1.1
87.05653	1.1
93.03452	3.9
95.01427	0.9
95.05019	0.8
96.96002	1.3
97.02974	0.9
99.04561	1.0
99.05657	3.5
101.02463	1.1
107.05053	1.4
108.02209	0.9
109.02955	23.2
109.04077	0.9
111.00895	2.4
121.02957	8.6
123.04520	2.3
125.02445	100.0
126.02779	2.8
127.05171	0.8
128.03549	8.3
133.02982	3.4
137.02449	19.3
139.04033	4.0
141.06683	0.8
142.16776	0.7
143.04625	12.4
149.02426	7.4
151.04030	2.6
153.06702	0.9
159.04489	1.7
160.00754	2.2
161.02448	32.5
162.03120	2.6
163.00377	0.7
164.01173	7.0
165.01955	8.4
167.03456	4.3
173.06018	0.9
175.04056	1.0
177.01913	1.2
177.03329	1.1
177.05574	2.3
179.03442	2.8
179.04779	1.4
181.12849	0.7
183.04335	0.8
185.05705	0.9
191.01976	2.5
195.02972	13.0
196.03281	0.7
197.05743	0.7
201.05533	1.5
203.03551	1.2
209.03047	2.0
210.08795	3.1
213.90312	0.7
219.06549	2.6
221.04367	0.8
225.05516	1.3
243.06673	2.5
245.04622	0.8
245.14142	0.9
247.02499	0.8
254.07864	2.9
261.07681	2.5
269.04504	4.3
272.08865	4.4
287.05594	11.9
288.06323	1.5
305.06662	18.7
305.16064	2.0
306.07504	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	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	19.1
58.00586	6.6
59.01102	4.7
59.01379	61.8
65.00320	3.9
68.99842	4.8
69.03452	3.6
70.71580	5.9
70.71970	5.4
71.01385	23.7
72.46880	2.7
72.99309	29.6
75.00865	16.4
79.05559	3.6
81.03450	5.5
83.01394	6.5
89.02442	39.5
97.06590	18.4
99.00873	12.5
105.57030	3.3
108.02131	3.2
109.02940	3.5
109.06582	5.4
111.08154	11.2
112.98824	8.7
117.01925	22.7
121.02957	3.5
121.06579	9.8
123.04531	8.7
123.08135	7.6
124.01659	4.7
124.98781	6.0
125.02446	100.0
125.06065	8.1
135.03008	14.3
135.08151	5.3
137.02422	4.4
139.04050	3.2
139.07651	11.2
142.99857	56.8
144.00180	2.7
147.04512	4.2
149.02464	6.8
149.06046	19.4
150.03200	3.1
151.00333	6.5
151.03967	7.0
152.01077	5.9
153.01918	6.6
153.05551	18.3
155.10741	3.8
158.09735	4.7
161.04794	2.7
162.05672	5.0
166.06323	4.4
167.03477	12.4
167.07120	19.9
167.10652	3.2
173.00865	12.9
174.01674	17.3
174.03111	5.6
174.12865	23.0
175.04045	16.8
177.01921	20.9
178.99883	4.8
181.08679	9.5
185.11815	18.3
189.05530	4.5
193.05089	6.1
199.03995	9.8
199.13376	5.2
201.01698	3.5
201.11119	2.7
211.06183	3.4
213.05470	3.4
213.11264	19.5
217.05002	9.9
225.07677	24.3
241.05069	4.8
243.12364	4.0
261.13364	4.6
275.05615	4.3
285.04001	63.4
286.04291	6.8
303.04944	5.9
303.14291	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16021	0.6
57.30725	0.6
59.01380	7.1
62.47628	0.7
62.97910	0.7
63.97652	0.7
79.05556	1.4
85.02946	3.1
87.81825	0.7
90.80663	0.6
92.05077	4.4
100.45841	0.8
102.05615	4.5
116.05076	1.3
130.06575	1.5
132.08215	0.9
140.20302	0.8
144.08188	2.7
146.09763	1.8
147.11783	1.0
156.08147	1.0
158.09750	23.2
161.13379	1.0
171.83043	0.7
172.11324	5.1
174.12872	100.0
175.13206	5.4
216.17552	22.9
217.17932	1.1
217.78418	0.7
242.15569	1.2
260.16522	25.0
261.16885	2.0
304.12067	1.6
304.15521	22.4
305.15817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54368	0.7
52.91846	0.7
54.99299	0.7
57.03433	3.3
58.39823	0.7
59.01377	5.9
62.69103	0.7
64.56969	0.8
69.03456	1.0
69.78571	3.7
71.01384	10.0
73.02943	12.7
74.69256	0.8
74.99397	1.2
78.95916	3.6
85.02951	25.0
85.44151	0.8
87.00877	100.0
87.92528	1.0
88.01212	1.3
95.01388	4.1
98.19967	1.1
99.00861	1.0
103.04006	9.6
103.92017	0.8
110.03638	0.8
111.00893	1.9
111.02003	2.8
113.02435	5.4
115.00378	9.8
126.98886	8.4
128.96822	2.2
129.01938	1.6
141.00098	1.0
141.01901	0.9
145.05006	0.9
145.96666	0.9
153.05580	1.7
157.01411	7.7
158.92429	1.5
168.99902	1.4
175.01006	1.2
175.02478	18.8
198.97333	5.6
288.11414	1.0
296.38861	0.7
303.04535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12896	0.4
57.03447	18.8
58.03803	0.5
63.02389	0.7
65.00336	3.3
69.56536	2.6
69.63657	0.4
77.11855	0.4
79.79510	0.4
81.03464	0.6
83.01388	7.0
86.00228	0.4
93.03469	1.1
95.01360	0.7
98.20625	0.8
105.03465	1.0
107.01375	3.0
108.02203	1.3
109.02951	3.4
111.00887	1.5
121.02956	1.6
122.03741	0.8
122.40327	0.5
123.04520	6.3
124.01648	2.2
125.02444	100.0
126.02791	3.2
130.47406	0.4
133.02954	0.8
137.02434	1.5
139.03961	2.3
143.05022	0.8
145.02991	0.7
146.03719	1.1
147.04494	2.0
149.02457	6.2
149.05936	0.5
150.03232	6.8
151.00363	8.0
151.04015	7.6
152.01146	4.9
152.21716	0.4
153.01933	7.2
154.02255	0.5
159.04485	0.5
160.01569	0.5
160.05363	0.6
161.02437	1.3
161.06050	0.9
163.00334	0.5
163.04015	0.7
165.05594	1.1
171.04517	1.2
172.05220	0.7
173.02420	0.9
173.06027	1.3
174.03221	3.7
175.03992	18.2
176.01210	0.5
176.04388	1.1
177.01932	19.2
178.02292	1.0
178.99852	7.2
180.00226	0.6
181.01465	2.4
185.06023	0.6
187.03976	0.7
188.04781	1.9
189.05583	5.1
191.03365	0.5
193.05081	3.1
198.03423	0.5
199.03976	9.7
200.04401	0.5
201.01945	3.0
213.05524	1.6
215.03529	0.9
216.04247	1.6
217.05061	9.9
218.05402	1.0
219.02933	0.9
221.24144	0.4
231.06612	1.6
235.05994	0.7
241.05067	6.7
242.02106	0.6
243.02899	1.6
257.04532	1.7
259.06058	5.3
262.95700	0.5
275.05618	4.6
285.04041	58.1
286.04391	4.7
303.05075	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	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57275	1.6
53.94551	1.6
55.01858	5.5
57.03449	3.1
59.01380	13.4
67.01874	1.8
69.03455	1.9
69.16471	19.7
71.01385	3.9
73.02935	2.6
81.03453	7.4
83.01378	5.0
85.02939	4.3
93.03464	2.4
95.01390	3.4
97.02950	5.7
99.00872	19.7
103.58838	1.5
108.02168	2.9
109.02950	25.3
110.97568	2.3
111.00896	12.2
113.02421	3.4
120.66000	1.7
121.02952	6.4
123.00871	11.3
123.04511	6.4
125.02448	100.0
127.00393	4.3
130.08684	1.8
131.05116	2.1
131.41415	1.6
133.02930	6.7
135.04539	2.3
137.02443	30.5
138.03154	3.0
139.00369	25.4
139.04004	3.8
140.01109	3.0
141.01939	73.2
143.04968	2.9
145.02899	2.6
147.04507	6.5
149.02412	9.8
151.00343	3.0
151.03954	3.8
152.01137	5.8
153.00710	3.3
153.01939	63.4
159.04526	3.0
160.01537	2.3
161.02432	39.6
162.03131	3.6
163.03993	4.8
163.11336	2.0
165.01935	17.1
166.02663	2.2
167.03519	6.8
171.04486	3.5
173.02399	5.5
173.06052	3.1
174.03214	5.8
175.03999	30.3
176.04523	1.9
177.01929	8.7
180.00600	8.1
181.01376	5.7
185.06166	1.9
187.03998	5.0
189.05540	6.1
191.03508	3.1
193.01596	2.1
195.02972	3.2
197.05981	1.8
199.03957	7.1
201.01866	9.9
201.05469	1.7
202.02495	2.7
203.03479	7.6
213.05457	5.5
215.03453	3.2
215.07259	1.7
216.04224	2.5
217.05034	24.8
231.06552	4.4
235.06122	5.1
241.05028	5.7
243.02950	2.7
243.12294	6.1
257.04617	9.1
259.06094	4.3
259.15448	2.4
261.04031	2.8
275.05634	2.5
285.04037	23.2
285.12628	5.8
303.02045	2.4
303.05066	42.4
303.14557	23.0
303.17978	5.3
304.05515	3.5
314.51367	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	303.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13778	0.4
57.03450	19.2
63.00039	0.4
63.02439	0.5
63.76247	0.4
65.00322	2.5
81.03480	1.1
81.85004	0.5
83.01388	6.3
93.03511	0.7
105.03477	0.7
107.01402	3.0
108.02183	0.9
109.02948	3.4
111.00866	0.8
111.76983	0.4
119.05078	0.4
121.02976	2.1
122.03723	0.6
123.04530	6.4
124.01650	1.9
125.02449	100.0
126.02792	2.6
133.02933	0.8
133.30739	0.4
135.00912	0.5
137.02438	1.2
139.04024	1.5
142.76945	0.4
145.03004	0.7
145.06487	0.4
146.03708	0.9
147.04521	2.0
149.02438	5.8
150.03239	7.8
151.00374	8.3
151.04008	9.4
152.01186	4.0
153.01955	7.9
159.04527	0.9
161.02423	0.7
161.06079	1.2
163.00401	0.8
163.04041	0.5
165.05571	1.0
171.04541	1.1
172.05141	0.7
173.02460	1.1
173.05917	1.1
174.03203	3.2
175.04001	16.2
176.04320	0.9
177.01932	17.2
178.02234	0.8
178.99861	8.2
180.00252	0.8
181.01326	2.5
185.06107	0.5
187.07608	0.7
188.04819	2.3
189.05614	4.3
191.03331	0.6
193.05026	3.1
197.06108	1.3
198.03171	0.7
199.04005	9.2
200.04393	0.6
201.01891	3.0
202.02547	0.8
213.05557	2.1
215.03532	0.7
215.07162	1.0
216.04301	1.7
217.05055	10.3
218.05440	0.6
231.06638	1.4
241.05029	6.4
242.02322	0.7
242.05324	0.5
243.03046	1.1
257.04544	1.0
259.06088	5.1
275.05594	4.7
285.04041	57.8
286.04364	5.6
287.77383	0.5
303.05115	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	301.2019
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03448	3.0
58.84761	0.5
59.01389	0.9
60.92936	0.5
69.03452	0.5
69.24277	4.6
83.05051	0.6
87.61362	0.4
97.06564	1.5
99.08144	1.1
113.09689	1.7
123.00877	3.0
125.09708	2.1
127.11267	0.6
138.03226	1.9
139.11282	1.3
156.25381	0.5
183.13893	4.7
187.09717	1.9
221.19087	33.9
222.19371	2.5
227.12885	1.4
229.08743	0.6
237.18677	0.6
239.20195	4.3
257.21179	2.1
265.18063	18.6
266.18405	1.2
271.06137	0.7
283.19125	18.6
284.19437	1.4
285.82224	0.5
286.08337	0.5
301.00226	2.4
301.20163	100.0
302.17291	0.3
302.20514	9.5
310.87341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.64531	1.0
54.89828	0.9
57.03440	1.9
59.01369	3.8
65.00314	1.7
65.03937	1.6
67.01888	1.8
68.11192	0.9
69.03441	1.6
69.13947	0.8
71.01368	1.4
71.51954	1.3
72.99332	1.1
74.03197	1.0
77.03963	1.0
81.03429	1.9
83.01390	5.8
84.01704	0.8
93.03483	1.8
95.01377	1.3
95.05023	1.2
95.37227	1.0
97.02936	3.6
99.04517	1.1
103.05524	2.8
105.03468	2.0
107.01380	1.1
107.04977	1.0
108.02161	6.7
109.02951	16.8
111.00865	2.5
119.01368	1.6
119.05008	1.7
121.02125	0.7
121.02911	5.5
123.00867	2.2
123.04510	2.8
125.02443	15.6
127.05431	0.8
127.07596	1.5
130.04213	0.9
131.05014	2.8
133.02936	2.3
135.04526	1.6
136.01648	2.5
137.02437	100.0
138.03096	4.7
139.04034	1.2
143.05020	2.5
145.02957	2.4
145.06592	2.0
146.03696	1.3
147.00848	3.2
147.04532	6.7
149.02435	6.2
150.05579	1.2
151.00432	1.2
151.04042	7.4
153.01884	3.0
157.02881	0.9
159.04489	1.6
161.02448	3.8
161.06076	1.3
162.05550	1.3
163.04002	2.9
164.01154	2.2
165.01923	26.7
166.02585	2.1
167.03453	3.6
167.04929	0.9
169.06590	1.7
171.04547	5.5
173.02394	3.2
173.06035	1.3
174.01654	2.7
174.03239	3.6
175.03990	7.8
177.01910	9.8
178.05089	1.8
179.03482	1.4
185.06030	3.0
187.03993	4.4
189.05557	6.4
191.03503	1.8
195.04535	2.4
197.06018	1.0
198.03188	2.0
199.04012	6.3
201.01869	3.1
201.05594	1.4
211.03918	1.7
213.05472	5.9
214.02754	1.2
215.03517	5.6
216.03972	1.6
217.05049	12.6
219.03024	1.3
223.04004	5.6
229.04987	3.6
231.06621	1.5
233.04550	1.3
241.04938	3.2
242.02196	1.6
243.02904	1.0
243.12453	1.2
257.04553	19.9
258.04697	1.2
259.06104	2.0
267.03015	1.6
275.05515	1.9
279.68988	0.9
285.04025	93.4
286.04318	6.3
303.05069	51.8
303.14105	6.8
303.17847	1.8
304.05392	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	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
69.70509	0.4
69.70927	0.4
79.46674	0.1
89.02438	0.4
91.04002	1.1
97.06616	0.2
111.08158	0.4
137.31129	0.1
161.88664	0.2
165.12845	4.0
166.13141	0.2
178.58029	0.1
183.13892	100.0
184.14233	6.0
184.15910	0.2
191.11224	0.1
209.11827	2.6
227.12871	4.3
228.13145	0.2
277.50168	0.1
301.16556	7.6
302.17004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03246	0.1
59.01373	0.8
67.11939	0.1
71.01385	0.2
89.02453	0.3
91.03985	0.7
97.06597	0.1
111.08172	0.3
123.00864	0.1
138.03229	0.1
139.37413	0.1
165.12851	3.7
166.13182	0.2
183.13899	100.0
184.14232	6.1
186.54254	0.1
209.11830	2.1
227.12871	4.2
228.13164	0.3
301.16559	8.4
302.16846	0.8
309.55219	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	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97509	1.1
62.27792	0.4
69.68867	2.5
69.69199	0.6
74.99076	0.6
104.86382	0.4
118.96280	1.4
123.95766	0.4
134.99399	6.1
136.97316	1.5
143.05327	2.2
159.08470	1.8
161.06398	4.0
168.80141	0.5
201.04056	0.6
203.05598	3.4
203.84485	0.5
205.03596	1.0
209.18953	0.4
215.05620	1.3
217.07191	84.1
218.07346	6.4
231.96214	0.5
283.11777	0.6
285.13464	33.4
286.13654	2.9
301.16586	100.0
302.16760	10.3
315.70584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	74.4
60.01715	1.3
61.98821	1.1
71.01385	1.1
71.49407	1.5
72.77452	1.0
72.99304	2.0
87.00858	4.3
93.03428	3.0
95.01409	1.3
95.05016	1.2
115.02538	10.6
116.98730	2.0
117.00423	10.1
123.00869	5.5
124.01612	1.1
129.05566	2.4
132.98212	1.4
138.01964	1.4
138.03198	4.6
141.00394	1.6
143.00244	1.7
150.03220	4.8
157.03560	2.7
159.01494	100.0
160.01605	5.5
165.05571	7.8
169.08670	1.8
170.50778	1.1
171.05135	8.2
177.04016	1.6
179.01971	3.3
186.99234	1.5
195.01541	1.5
195.05118	3.0
196.97676	3.3
197.03017	4.9
199.00955	2.7
199.26923	1.2
201.02524	20.2
202.02727	1.6
215.04092	17.6
221.02977	3.2
239.04041	4.1
241.02060	15.2
242.02257	1.3
259.01382	1.6
259.03134	2.5
283.03107	44.8
284.03238	3.8
300.99188	1.7
301.02612	40.5
302.02661	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	301.0928
Annotation	Isotachioside
Peak:m/z	Relative Intensity
53.10287	0.3
59.01389	0.7
67.83057	0.4
69.38973	2.7
71.01380	4.2
72.71009	0.4
73.02959	1.1
83.01431	0.5
85.02954	1.6
86.05667	0.3
87.30438	0.4
88.39549	0.4
89.02432	0.7
95.01388	6.0
98.19798	0.6
99.00878	0.5
101.02422	2.1
108.02172	0.9
109.02939	1.0
113.02449	2.2
121.02955	2.0
122.03731	0.4
123.00887	100.0
124.01636	4.8
125.02464	1.1
137.02437	2.9
138.03227	61.5
139.00398	0.5
139.04039	10.7
140.04442	0.4
149.02451	1.5
150.03273	0.8
151.04021	2.1
159.02939	1.0
161.04597	3.2
163.04016	0.7
165.05573	0.4
166.02716	2.0
178.02681	1.1
181.05038	4.8
193.05086	3.0
301.09351	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	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	74.4
60.01715	1.3
61.98821	1.1
71.01385	1.1
71.49407	1.5
72.77452	1.0
72.99304	2.0
87.00858	4.3
93.03428	3.0
95.01409	1.3
95.05016	1.2
115.02538	10.6
116.98730	2.0
117.00423	10.1
123.00869	5.5
124.01612	1.1
129.05566	2.4
132.98212	1.4
138.01964	1.4
138.03198	4.6
141.00394	1.6
143.00244	1.7
150.03220	4.8
157.03560	2.7
159.01494	100.0
160.01605	5.5
165.05571	7.8
169.08670	1.8
170.50778	1.1
171.05135	8.2
177.04016	1.6
179.01971	3.3
186.99234	1.5
195.01541	1.5
195.05118	3.0
196.97676	3.3
197.03017	4.9
199.00955	2.7
199.26923	1.2
201.02524	20.2
202.02727	1.6
215.04092	17.6
221.02977	3.2
239.04041	4.1
241.02060	15.2
242.02257	1.3
259.01382	1.6
259.03134	2.5
283.03107	44.8
284.03238	3.8
300.99188	1.7
301.02612	40.5
302.02661	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98837	0.2
66.03472	0.2
67.39861	0.2
69.03443	0.3
71.01377	0.9
71.05044	0.2
71.49207	0.2
71.49625	0.4
72.99311	0.6
74.74947	0.2
74.96223	0.2
78.95898	1.2
85.02943	0.5
87.04517	0.3
89.02477	0.2
93.03465	1.3
94.02986	59.5
95.01387	0.7
95.03327	1.5
96.96978	0.4
98.02486	0.4
101.02463	0.4
109.02937	0.3
112.04041	0.3
113.02426	0.4
115.08748	0.2
115.92104	0.2
116.98759	0.2
117.00452	0.5
121.02936	0.3
123.00890	14.3
123.04527	0.2
123.58278	0.2
124.00815	0.2
124.01661	0.9
125.09718	0.7
126.98840	0.2
127.04026	0.4
131.03535	0.5
132.98273	0.2
134.06082	0.5
135.04491	0.2
137.02440	2.0
138.01978	100.0
138.03122	8.2
138.05486	1.8
139.00357	0.3
139.02321	3.4
139.03966	2.1
140.21259	0.2
141.09209	0.6
143.01868	0.2
149.02434	0.5
151.02371	0.2
151.03946	0.2
154.01410	0.3
155.03494	0.3
158.99800	0.4
159.01486	2.7
159.02805	0.4
161.04593	0.4
165.05534	0.5
165.53760	0.3
166.02809	0.3
168.01566	1.2
169.03496	0.2
169.08693	1.3
170.96112	0.4
171.01468	0.5
171.05173	0.6
172.01086	0.3
173.01204	0.3
178.02695	0.3
181.05087	0.7
184.04620	0.3
184.11035	0.2
185.87117	0.2
186.02550	2.6
193.05132	0.4
196.97662	0.8
197.02962	0.4
200.04807	0.2
201.02522	0.6
210.06219	0.5
212.03894	0.3
214.02753	0.2
215.04144	0.4
238.05859	0.2
240.00838	0.3
240.03708	0.6
258.08368	0.4
267.73111	0.3
283.03204	0.5
285.06744	0.2
300.02640	0.7
300.05930	0.7
300.11368	0.3
300.99026	0.5
301.02655	1.3
301.05801	0.4
301.09433	0.6
315.22296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00332	0.6
52.39782	0.2
56.59773	0.3
56.87706	0.3
57.21873	0.3
59.01377	2.3
68.01405	2.9
70.94808	0.3
70.95135	0.4
71.01373	0.5
71.60621	0.2
85.00045	0.2
88.04074	0.4
95.05020	0.3
96.04559	0.4
100.04063	0.3
101.02475	0.3
109.02979	0.3
122.02497	0.9
123.03272	6.5
123.04268	0.3
123.04549	0.3
124.07688	1.0
124.37882	0.3
124.95297	0.2
132.03009	0.6
136.07687	0.9
137.04832	1.1
138.05614	100.0
139.05992	3.5
149.02489	0.3
152.03561	0.4
152.07191	1.8
166.08701	0.4
167.05910	2.2
167.08440	0.2
168.06633	0.4
180.06653	5.7
210.07695	0.7
240.08846	0.4
257.88260	0.3
300.10898	12.4
301.03528	0.3
301.11295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1659
Annotation	Intermedine
Peak:m/z	Relative Intensity
50.02417	0.2
59.01373	0.6
62.03912	0.2
83.05004	0.2
84.43996	0.2
86.06112	0.4
88.04042	100.0
89.04367	1.6
96.96004	0.3
165.12868	1.4
170.98755	0.3
192.05525	0.3
192.17598	1.5
209.11768	0.4
214.05237	0.2
236.16557	15.6
237.16844	1.3
254.17625	5.0
255.18068	0.4
280.15549	11.7
281.15884	0.7
298.16592	25.4
299.16824	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.75477	0.4
54.98977	0.4
59.01387	1.7
59.03027	0.4
62.31787	0.4
63.02392	0.9
65.00321	0.7
66.55696	0.4
71.34663	1.0
83.01403	0.8
107.01390	1.9
132.02182	0.6
133.02910	0.6
137.02457	0.5
138.05617	1.6
147.00912	0.4
149.99550	0.5
151.00374	2.5
158.03729	0.5
167.08652	0.9
183.04527	0.6
199.04065	0.6
211.03961	0.8
211.07605	1.1
217.00252	0.5
227.03491	3.0
228.04196	0.5
249.18156	0.4
255.03020	1.1
256.03751	28.6
257.04099	2.0
283.02505	1.2
284.03253	100.0
285.03561	6.6
289.98941	0.6
299.05603	72.2
299.25784	0.6
300.05963	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	299.0771
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
51.69344	0.3
56.83875	0.4
58.00608	0.3
59.01377	4.7
70.35467	0.4
70.68198	0.7
70.68559	0.7
71.01379	4.1
73.02936	1.0
83.66996	0.3
85.02948	1.6
89.02460	3.1
93.03455	67.9
94.03783	1.9
96.96006	0.4
101.02460	2.5
113.02451	1.6
118.77890	0.3
119.03476	1.3
119.05026	1.5
123.03262	2.5
124.00751	0.5
127.05111	0.5
137.02441	100.0
138.02777	2.9
138.05608	23.3
161.04504	0.6
211.06079	0.5
241.21805	0.4
258.74847	0.4
299.07620	1.4
299.11801	0.7
300.10916	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	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.4
59.96733	1.0
61.44696	0.9
68.07578	0.9
70.97066	1.7
71.01405	1.4
74.99068	5.0
84.13562	0.8
89.02443	1.7
89.04290	6.8
89.76377	0.8
93.00146	1.9
98.95638	1.2
100.96006	1.3
101.02438	1.3
122.14680	1.0
149.00958	44.7
150.00966	2.5
183.01196	22.8
184.01819	1.2
206.99702	1.8
208.97754	2.1
209.67284	0.8
216.00893	1.5
223.02791	5.9
241.86148	0.9
264.98413	19.7
265.98398	1.7
281.01447	5.4
282.99539	1.8
297.04694	100.0
297.15265	42.3
297.24298	18.6
298.04788	11.8
298.15677	1.5
299.02621	9.4
315.05740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37944	0.8
59.01383	5.1
60.90956	1.1
63.83341	1.0
67.01879	1.8
68.99805	2.2
69.03467	2.0
70.25266	2.8
71.01364	4.3
73.02950	2.9
79.95734	2.7
81.03455	3.0
82.54620	1.0
83.01395	0.9
85.02962	1.6
86.03573	0.8
87.00830	1.1
89.02444	1.3
93.03471	1.3
95.01395	5.6
95.05022	1.6
96.96011	100.0
97.02949	4.7
97.06561	1.9
98.03745	1.1
99.00881	3.3
99.04575	1.1
101.02433	3.9
106.04247	2.0
107.05028	2.4
108.02156	4.2
109.02941	2.4
109.06586	1.2
111.00871	1.1
111.08145	1.9
121.02954	1.3
121.06570	1.8
122.03724	1.8
123.00859	3.0
123.04523	2.5
123.08172	3.2
124.01640	1.7
125.02419	2.5
134.03728	2.3
135.04515	2.8
135.08128	3.0
136.01654	1.7
137.02438	2.5
137.06119	1.3
137.09682	2.6
139.07648	11.8
147.08183	4.6
147.29539	0.9
148.05312	1.2
149.02409	1.4
149.06041	2.5
149.09723	5.9
150.03204	12.1
151.04016	4.4
151.07655	9.4
155.03548	1.2
159.04497	1.2
159.08191	1.6
161.02440	1.6
162.03223	18.8
163.03749	1.5
163.07668	5.1
165.09209	20.6
165.95111	1.0
166.09499	1.1
167.07132	8.0
174.03154	1.6
175.07632	5.4
176.01089	2.4
177.05551	3.1
177.09209	12.7
179.07132	9.2
180.07848	1.1
190.02722	1.8
190.06342	3.4
191.07108	8.5
193.08701	23.3
195.10251	1.2
196.86612	0.9
203.07220	5.0
219.04588	1.5
219.06618	26.8
220.07069	1.4
221.08189	35.0
222.08484	1.5
235.09744	3.3
237.05260	1.6
237.07663	33.8
238.08052	1.9
239.09259	5.7
247.06073	6.1
253.10834	11.0
265.07172	31.1
266.07651	1.2
267.79178	1.0
297.09821	22.8
297.13715	75.9
297.24234	1.7
298.10184	1.8
298.14014	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	297.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
59.01367	1.5
59.67080	0.3
67.01888	0.6
68.99822	1.2
69.03428	0.6
71.01374	1.4
71.51499	0.3
71.51872	0.4
73.02938	1.0
79.95715	2.4
81.03457	0.7
83.01382	0.5
83.98215	0.3
85.02973	0.6
89.02424	0.7
93.03468	0.5
95.01390	2.0
95.05013	0.7
95.95246	0.8
96.96009	100.0
97.02928	1.6
97.06573	0.8
99.00872	1.3
99.04486	0.5
100.10730	0.3
101.02455	1.3
106.04263	0.4
107.05017	0.7
108.02164	1.7
109.02940	1.1
109.06609	0.4
113.06059	0.4
121.02975	0.7
122.03753	0.8
122.37242	0.4
123.00890	1.2
123.04521	2.4
123.08156	1.0
124.01680	0.6
125.02442	1.2
133.03014	0.4
134.03748	0.7
135.04532	0.9
135.08232	0.7
137.02458	0.7
137.09709	1.0
139.07643	3.0
146.03745	0.4
147.08154	1.1
149.02438	1.0
149.06071	0.5
149.09714	1.4
150.03223	6.6
151.04013	6.2
151.07639	3.0
153.01910	0.6
161.02393	0.6
162.03214	6.3
163.03757	0.4
163.07623	1.6
165.09200	6.7
167.07112	2.3
174.03218	0.5
175.07605	1.7
177.05548	0.5
177.09190	4.4
178.06372	0.4
179.07072	2.7
180.07782	0.4
190.06326	1.0
191.07118	2.8
193.08685	7.3
195.06670	0.4
203.07074	1.3
205.43042	0.4
207.10295	0.4
219.06621	9.3
220.07066	0.4
221.08168	12.0
222.08484	0.4
225.05649	0.4
235.09689	0.8
237.07660	11.4
238.08022	0.7
239.09296	2.0
247.06030	1.5
251.10701	0.4
253.10808	3.3
265.04324	0.6
265.07156	9.1
266.07541	0.6
276.55521	0.3
279.08682	0.4
279.12695	0.6
290.20291	0.4
297.09924	8.6
297.13739	87.3
298.10498	0.7
298.14059	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	297.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.4
61.98808	1.6
66.06091	1.4
69.03461	3.4
71.01378	3.9
71.05024	1.5
71.52099	2.5
73.02958	1.5
85.02953	1.5
89.02455	4.1
94.29539	1.2
95.04952	1.8
97.06577	2.9
101.02443	3.7
108.33733	1.5
111.08190	2.1
119.03513	1.9
119.05042	1.7
123.08139	2.9
135.04541	4.0
135.06703	1.6
139.92220	1.4
163.41447	1.3
167.10698	2.6
179.14413	4.0
185.05995	2.7
187.07692	1.6
195.13908	12.2
200.08400	3.3
205.12349	10.3
223.13394	100.0
224.13713	5.1
225.05589	3.1
237.09570	2.0
238.92574	2.1
251.16496	7.3
252.16800	1.8
297.11902	3.1
297.14490	4.1
297.17636	12.0
297.24304	6.4
297.27719	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.72943	0.3
53.50773	0.4
57.41446	0.3
59.01377	2.9
59.01635	0.5
66.40591	0.3
70.42451	0.3
71.01383	0.7
72.98753	0.3
73.03008	0.4
75.30913	0.4
79.78600	0.4
79.95758	0.4
80.79453	0.3
83.05019	0.5
89.02419	0.4
91.46603	0.4
98.20469	2.6
101.02424	0.4
114.28939	0.5
134.96335	0.4
139.11230	0.8
141.12860	1.7
155.10780	11.7
156.11116	0.6
170.00481	0.6
171.10300	0.7
183.01207	14.3
184.01851	1.5
197.02759	0.7
216.01018	1.0
221.10121	0.4
225.05939	0.4
261.22162	0.6
279.23279	12.4
280.23663	1.0
288.51999	0.5
295.22787	1.4
297.15302	22.4
297.24335	100.0
298.15665	2.1
298.24664	9.3
315.75375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03434	0.8
59.01373	2.8
70.97584	0.4
71.01352	0.5
81.27174	0.2
83.05047	0.3
97.06556	0.3
99.08154	0.4
101.02397	0.3
113.09731	2.3
147.73296	0.3
177.12833	0.7
179.14345	1.5
181.12332	0.4
195.13893	20.2
196.14200	1.1
277.19415	0.4
277.21704	18.0
278.22092	1.4
295.22763	100.0
296.23102	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.4
59.96733	1.0
61.44696	0.9
68.07578	0.9
70.97066	1.7
71.01405	1.4
74.99068	5.0
84.13562	0.8
89.02443	1.7
89.04290	6.8
89.76377	0.8
93.00146	1.9
98.95638	1.2
100.96006	1.3
101.02438	1.3
122.14680	1.0
149.00958	44.7
150.00966	2.5
183.01196	22.8
184.01819	1.2
206.99702	1.8
208.97754	2.1
209.67284	0.8
216.00893	1.5
223.02791	5.9
241.86148	0.9
264.98413	19.7
265.98398	1.7
281.01447	5.4
282.99539	1.8
297.04694	100.0
297.15265	42.3
297.24298	18.6
298.04788	11.8
298.15677	1.5
299.02621	9.4
315.05740	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	295.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.9
61.98811	0.9
71.01390	1.6
71.51615	1.3
74.92860	0.7
95.41943	0.5
96.95995	3.6
99.92574	0.8
136.48753	0.6
174.45346	0.6
183.13899	15.0
195.13875	14.0
200.95444	0.6
213.14948	100.0
214.15294	5.0
223.13237	1.3
235.13171	2.7
237.11003	1.5
251.20206	0.7
267.12149	2.1
279.12143	1.8
295.15115	8.2
295.18893	1.3
298.34995	0.7
306.71735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01373	2.8
70.97584	0.4
71.01352	0.5
81.27174	0.2
83.05047	0.3
97.06556	0.3
99.08154	0.4
101.02397	0.3
113.09731	2.3
147.73296	0.3
177.12833	0.7
179.14345	1.5
181.12332	0.4
195.13893	20.2
196.14200	1.1
277.19415	0.4
277.21704	18.0
278.22092	1.4
295.22763	100.0
296.23102	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.89955	0.3
53.94356	0.4
57.03426	0.7
59.01372	1.5
83.17348	0.3
98.20096	1.9
113.09705	2.7
128.02249	0.3
177.12836	0.5
179.14375	1.2
181.12317	0.8
195.13889	18.6
196.14272	1.1
217.97664	0.3
251.23695	0.4
277.21713	18.5
278.21863	1.5
284.24863	0.3
295.22763	100.0
296.23120	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.72357	0.8
57.03440	2.1
59.01385	4.3
71.01379	1.5
107.77637	0.9
127.84268	0.8
139.11250	0.9
145.23914	0.8
147.78029	0.8
155.14439	2.4
163.27667	0.9
171.10274	33.7
172.10559	1.3
173.30295	0.8
183.10211	2.0
195.13930	1.9
251.23883	1.5
277.21722	37.9
278.22128	2.9
295.22772	100.0
296.23059	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96318	1.2
57.03427	1.7
58.00581	3.7
59.01377	88.2
71.01379	44.5
71.12391	2.8
72.99303	2.9
73.02953	3.5
75.00879	1.7
83.01376	4.0
85.02945	9.8
87.00874	3.5
87.04526	1.2
89.02442	52.1
95.01377	4.3
96.95965	1.5
99.00864	1.4
101.02439	29.7
113.02442	15.4
115.04063	1.9
119.03500	27.1
119.05012	4.9
131.03513	1.5
133.05070	3.6
143.03494	2.2
152.52699	1.2
161.04544	4.1
163.03984	8.6
179.05614	2.1
196.98499	2.2
199.01065	1.4
295.10324	100.0
296.10693	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	295.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55368	0.8
53.23903	0.7
59.01379	4.2
69.94323	3.1
71.01382	14.5
72.99309	3.9
80.96529	0.9
85.02954	2.5
87.00872	1.4
89.02448	2.1
92.50249	0.7
92.61716	0.7
96.96010	1.3
113.02479	0.7
115.00377	42.6
116.00672	1.0
119.05042	1.3
121.02935	1.1
133.01442	100.0
134.01776	1.8
135.04541	15.3
163.04037	1.5
179.03505	12.4
196.94176	0.8
207.06633	2.5
237.88757	0.7
246.25383	0.8
295.08466	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	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
51.50338	0.8
59.01365	3.9
62.32869	0.8
63.35664	0.8
71.01378	15.1
71.51881	0.9
72.99293	3.7
81.04144	0.8
85.30231	0.7
87.00844	1.2
89.02447	2.5
96.96011	2.2
98.05010	1.1
115.00375	37.3
119.05029	1.0
121.53076	0.8
133.01428	100.0
134.01750	2.3
135.04520	19.3
151.99330	1.2
161.05995	1.3
162.03284	0.9
163.03983	2.0
167.01720	2.6
179.03500	10.5
192.04253	1.5
207.06667	6.0
295.08173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.03440	1.8
58.00584	3.6
59.01378	100.0
60.01721	1.1
70.38751	2.4
71.01383	46.2
72.99296	3.6
83.01395	2.9
85.02950	9.0
86.76959	0.9
87.00877	2.1
89.02443	52.3
95.01402	3.0
101.02444	29.0
113.02448	18.0
119.03503	22.9
119.79946	1.0
120.36992	0.9
131.03473	2.8
133.01410	2.3
133.05066	1.2
143.03517	2.4
144.31429	0.9
149.04565	2.2
161.04573	1.7
170.06882	1.0
179.05635	2.9
193.75226	0.9
210.50117	1.0
264.32248	1.2
295.10330	99.7
296.10709	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
54.36696	0.8
57.03439	0.7
57.62583	0.8
58.77290	0.8
59.01353	1.2
86.57609	0.7
113.09712	0.9
179.14380	1.6
195.13890	16.1
195.15575	1.6
196.14597	2.3
205.12283	1.5
211.13542	0.9
223.13396	11.8
224.13689	1.6
228.13654	2.3
256.13126	5.5
275.20181	8.4
282.85303	0.7
293.21228	100.0
294.21512	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.7
59.01364	2.5
63.93048	0.5
96.95988	0.7
97.06567	0.7
98.20659	1.3
113.09725	16.1
121.10233	4.8
125.09728	1.2
127.11294	0.5
139.11292	1.2
149.09666	0.6
167.10753	1.8
171.10274	12.4
172.10516	0.7
179.10751	2.0
183.10304	1.2
185.11803	1.6
193.15932	1.2
195.13855	3.3
205.15811	0.6
220.14626	1.1
221.15387	2.6
223.13498	1.0
229.06410	0.5
231.21111	0.6
236.10500	1.8
249.18408	0.6
249.22169	1.7
275.20145	15.5
276.20480	1.3
293.21213	100.0
294.21497	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	13(S)-HOT
Peak:m/z	Relative Intensity
55.25057	0.5
59.01377	0.9
79.95742	3.2
95.05003	0.6
95.77747	0.4
95.95187	0.5
96.96012	100.0
98.20766	1.0
111.08138	1.6
113.09713	1.1
134.35655	0.5
167.10768	0.5
179.14427	1.9
193.15817	0.9
195.13895	15.7
196.14484	0.9
205.12244	0.8
205.16093	1.0
220.14668	0.9
221.15462	1.9
223.13393	7.1
228.13649	1.1
236.10529	1.1
249.22173	0.6
256.13055	2.4
265.21747	0.7
275.20148	7.0
293.17932	61.7
293.21249	92.7
294.18228	4.9
294.21555	6.7
307.54297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01361	1.7
61.98816	0.7
71.01380	1.0
71.50645	0.6
78.95879	0.6
79.20419	0.3
95.05016	0.5
96.96017	0.7
97.20550	0.4
111.08144	0.7
111.59688	0.4
113.09731	1.3
136.08910	2.2
167.10728	0.8
177.12828	0.6
178.02492	0.4
179.10890	0.4
179.14377	1.9
181.12315	0.5
183.18968	0.4
192.11504	1.5
193.15968	3.7
195.13899	16.2
196.14380	1.0
205.12282	1.2
205.15901	0.6
211.13396	1.3
220.14650	2.6
221.15453	5.9
222.15642	0.5
223.13388	11.5
224.13834	1.1
227.27536	0.4
228.13684	2.0
228.72542	0.4
231.21054	0.6
236.10516	3.9
239.12846	0.6
249.18631	2.0
249.22070	0.4
256.13159	3.9
265.21790	0.6
275.20154	8.9
293.21219	100.0
294.21567	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
70.81425	2.5
70.81737	1.6
72.83629	1.7
72.85716	1.6
86.15681	1.9
121.09361	3.1
121.10242	51.8
136.08948	2.6
153.11403	1.9
171.10268	82.3
172.10597	2.0
183.13937	4.2
185.11798	4.8
195.13895	3.8
220.14450	2.2
221.15366	4.7
223.13348	2.8
231.21107	6.2
236.10550	2.2
275.20151	94.7
276.20468	10.6
293.17963	4.4
293.21207	100.0
294.21567	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	293.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79211	0.3
55.98168	0.3
61.35150	0.3
79.95731	2.2
95.95261	0.6
96.83608	0.3
96.96011	100.0
150.70679	0.3
168.05540	0.3
192.45750	0.3
221.15398	0.5
251.18982	0.3
293.17932	72.9
294.18222	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	293.2119
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
56.38066	0.4
57.03442	0.7
59.01369	1.9
59.26423	0.5
61.98818	0.5
69.03463	0.7
71.01374	1.1
71.50699	0.9
71.51083	0.4
88.78522	0.5
95.05033	0.6
96.96003	1.6
97.06599	0.4
104.33318	0.4
111.08146	1.2
113.09735	1.0
121.29715	0.5
179.14413	1.5
185.12083	0.5
195.13901	14.1
196.14351	1.3
205.12297	0.8
205.15984	0.7
211.13397	0.9
221.15552	0.7
223.13396	8.4
228.13640	1.4
236.10529	0.5
239.12758	0.5
249.22246	0.5
256.13129	3.0
258.79715	0.4
265.21603	0.5
275.20151	7.2
276.20404	0.7
285.08987	0.4
293.21222	100.0
294.21555	8.5
305.60782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99860	0.3
57.03447	0.7
59.01374	1.4
69.67271	2.1
71.01367	0.8
79.95715	0.5
95.05011	0.4
99.00860	0.4
111.08136	1.0
113.09728	0.6
121.10197	0.3
136.08936	1.7
159.34442	0.3
167.10732	0.6
177.09277	0.4
177.12840	0.5
177.16437	0.4
179.14407	1.4
181.12337	0.5
192.11615	1.5
193.15959	4.0
194.16188	0.4
195.13895	15.2
196.14424	1.4
205.12285	1.5
205.15915	0.9
211.13347	1.2
220.14659	1.3
221.15405	2.7
223.13390	11.1
223.16829	0.4
224.13783	1.1
228.13693	2.4
231.21181	1.2
236.10460	1.9
245.48978	0.3
249.18559	1.7
256.13101	3.5
265.21716	0.9
275.20135	9.8
276.20413	0.7
293.21207	100.0
294.18216	0.7
294.21521	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62834	0.3
61.47539	0.3
69.75256	0.3
70.38964	0.5
70.39330	0.7
71.01382	7.4
127.07679	0.7
148.05310	1.6
151.07704	0.4
164.08372	1.4
174.99033	0.3
177.09193	5.8
178.09581	0.3
187.07286	0.3
192.11554	8.1
193.12085	0.8
194.28990	0.3
205.12321	7.7
206.12727	0.5
207.13876	1.3
217.08774	0.5
218.09419	1.4
220.14673	49.6
221.15442	100.0
222.15778	6.2
235.13416	0.9
236.10516	70.1
237.10901	4.7
252.45721	0.3
293.17615	7.5
293.20929	0.4
294.17813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88622	0.7
55.01878	1.0
56.59174	0.9
57.03436	1.6
57.20757	0.8
58.00586	2.1
59.01378	48.2
60.01702	1.0
70.93465	2.0
71.01381	26.4
72.99313	2.3
73.02954	1.3
83.01387	2.1
85.02947	11.0
85.06590	18.4
87.00814	0.9
88.69904	0.8
89.02443	26.1
92.05041	0.9
95.01392	2.7
97.06076	0.8
99.00876	0.8
100.00426	1.1
101.02438	17.9
101.34564	0.8
113.02457	10.0
113.06101	4.1
115.07646	2.8
119.03488	9.8
119.04971	1.9
120.04547	2.4
125.03603	0.9
127.05126	6.4
127.07681	1.8
128.02704	0.7
128.03519	4.7
131.07140	68.9
132.07462	2.8
140.70049	0.8
145.02968	1.4
145.06195	7.2
161.04568	1.1
163.02859	0.8
163.03993	4.1
164.03448	0.8
164.07144	1.4
173.08145	1.3
179.05513	1.7
242.71980	0.8
257.09476	1.0
275.10269	1.8
293.12421	100.0
294.12683	6.7
308.50076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
57.03439	3.1
58.00582	3.6
59.01378	100.0
60.01688	1.4
69.63685	2.0
69.64088	3.4
71.01381	52.6
72.99318	5.9
73.02931	1.5
83.01378	4.7
84.02170	2.3
85.02944	26.9
85.06607	1.4
87.00884	2.6
89.02443	67.8
90.93159	1.1
95.01381	2.2
101.02441	38.9
101.06120	1.3
102.02766	1.2
113.02446	22.5
113.06059	2.1
119.03504	33.4
120.03825	1.6
129.01886	2.6
131.03525	4.0
131.07133	5.0
132.03040	1.1
143.03465	1.6
147.02983	4.5
149.04535	1.8
161.04477	1.7
173.00877	1.1
179.05536	2.4
191.01952	2.6
293.12399	60.6
294.12741	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	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99468	0.7
59.01384	2.1
61.98823	1.5
67.74789	0.8
69.15898	3.0
69.16315	5.8
71.01392	1.3
72.99289	1.2
75.18906	0.9
85.02956	16.2
94.66120	0.8
96.96014	1.4
101.02416	1.0
101.83156	0.8
105.03491	0.8
109.58569	0.7
110.06113	1.3
112.04044	1.7
113.02449	1.0
119.05025	64.0
120.05372	3.2
129.01933	3.1
133.02942	3.1
145.02962	1.1
147.02980	6.2
163.04007	100.0
164.04391	4.3
165.16550	0.8
177.01874	1.1
187.07600	1.7
241.71596	0.8
293.06723	1.3
293.10547	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	293.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55122	0.8
55.01871	2.6
57.03448	15.3
59.01376	13.8
60.16915	0.8
68.99817	0.8
71.01379	5.1
71.23483	0.7
71.49157	0.7
72.99294	3.9
75.00886	1.6
82.03997	0.7
83.01384	2.9
84.02176	5.4
84.79076	0.6
85.02952	100.0
86.03299	2.1
87.00874	2.2
87.20378	0.7
89.02466	2.1
100.00414	1.6
101.02448	3.0
101.06084	7.0
101.92399	0.7
103.00388	2.3
111.00879	1.5
113.02551	0.9
115.00349	1.1
129.01945	13.8
132.03046	2.0
147.02986	7.9
161.04539	2.6
169.08707	1.8
173.00995	1.5
191.01958	21.6
192.02214	0.7
275.07593	1.0
293.09103	3.6
293.11917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.4
59.01377	2.2
63.05602	0.5
66.07199	0.5
71.01382	1.3
71.50573	0.5
76.56377	0.6
77.93768	0.6
108.04599	0.7
124.10428	0.6
156.13937	100.0
157.14314	4.6
166.13208	1.5
185.11835	0.7
195.13928	0.9
200.12946	5.4
205.12444	0.9
220.14682	3.8
221.15472	7.6
236.10529	5.5
246.84512	0.5
248.20953	1.6
274.18826	1.1
292.09131	1.0
292.19995	26.4
293.14554	0.5
293.17615	1.2
293.21201	13.8
297.84198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57303	1.7
56.78813	2.0
57.03435	5.7
59.01366	5.2
70.73051	4.3
71.01389	2.3
72.99307	13.8
73.02934	2.4
85.02946	32.4
85.86472	1.7
89.02436	4.9
100.77654	1.8
101.02422	3.0
103.04021	2.0
119.05028	42.1
120.05361	1.8
129.01939	13.6
145.03033	1.8
147.02991	100.0
154.88147	1.7
163.03987	39.8
165.49294	1.8
174.81686	1.6
180.96967	1.7
199.67111	1.9
212.19485	1.7
243.90340	1.9
250.82341	1.8
293.10349	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	293.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35011	0.6
69.55957	3.0
69.56370	1.4
73.80383	0.6
85.02953	13.6
93.03470	1.3
117.03452	0.7
119.05024	59.6
120.05373	3.1
129.01949	2.8
147.02982	4.3
163.04005	100.0
164.04327	4.8
184.04630	0.6
187.07579	0.7
203.72728	0.7
268.87180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95811	1.4
57.03441	6.5
59.01364	2.1
64.08350	1.3
69.47504	2.9
69.47932	8.0
71.01368	2.7
72.99319	14.4
73.02943	4.6
80.96528	4.5
85.02947	31.3
98.20712	3.1
101.02444	5.3
119.05026	47.5
120.05354	2.6
129.01942	15.8
147.02997	100.0
148.03369	1.8
163.04012	41.3
181.28461	1.6
205.47296	1.6
211.13330	1.9
221.15343	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01376	0.6
80.96517	0.7
81.28890	0.2
95.05013	0.3
97.06592	0.3
98.20673	0.6
111.08149	0.5
111.49395	0.2
125.06081	0.5
134.55682	0.2
141.09195	0.3
145.06441	0.3
148.08946	1.6
150.10469	1.0
151.11247	0.6
163.11292	1.2
165.12839	21.3
166.13161	1.4
175.11278	0.6
176.11990	0.6
177.12779	0.4
189.12837	0.4
191.14412	1.0
193.12242	0.4
217.15912	0.7
247.20654	10.8
248.20920	1.1
250.56743	0.3
256.23694	0.3
273.18600	7.0
274.18930	0.7
291.19650	100.0
292.19998	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01377	3.3
63.19141	0.4
68.37360	0.3
69.03438	0.4
71.05014	1.3
74.41179	0.3
83.05008	1.4
95.04489	0.3
95.05011	1.7
96.96044	0.5
97.06571	0.6
109.06557	0.6
111.08158	14.1
112.08469	0.5
113.09676	0.7
121.10210	0.6
123.08145	0.5
135.11745	0.5
137.09712	0.9
139.11278	0.4
149.09671	0.7
167.10759	2.0
177.09158	0.4
177.12869	2.7
179.10774	2.5
193.15936	0.4
195.13907	8.3
203.14366	0.7
231.12151	0.7
247.20691	2.9
273.18634	3.0
291.19647	100.0
292.19995	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	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.44546	0.4
57.03437	0.4
57.29303	0.5
59.01379	0.9
71.01342	0.5
73.02943	43.9
74.03249	0.8
96.96022	0.7
98.12823	0.5
98.20679	0.9
124.96209	0.4
163.11292	0.6
165.12823	2.6
210.37337	0.5
229.12491	0.6
235.76294	0.6
247.20647	1.2
273.18549	1.0
291.19653	100.0
292.20016	10.0
303.22629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
59.01370	2.5
66.10918	0.5
69.03445	0.8
71.01395	0.6
72.24773	0.5
93.07074	0.8
96.96005	0.6
97.06580	2.0
111.08160	2.6
121.10224	10.1
123.08166	1.4
125.09729	6.5
127.11284	2.0
149.22850	0.5
151.11192	0.6
153.12848	1.7
156.12476	0.6
165.12996	0.6
177.12862	0.8
179.10706	0.8
185.11810	10.7
195.13887	1.7
197.11835	2.9
209.11826	1.0
210.03021	0.5
211.13351	1.0
223.13239	0.7
229.17059	0.7
229.19495	0.9
247.20659	4.8
263.20090	3.8
273.18604	7.4
291.19641	100.0
292.20053	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.7
59.01382	1.4
69.83356	2.3
71.01376	1.0
84.90427	0.5
91.31598	0.4
96.96024	0.5
98.20008	0.7
128.54355	0.4
132.86465	0.4
156.13939	100.0
157.14278	5.0
170.30472	0.5
192.11555	0.6
200.12909	4.5
220.14676	3.2
221.15443	8.0
235.13432	0.8
236.10547	5.7
292.19870	2.7
293.17563	1.5
293.21194	3.4
312.23404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00975	0.2
52.06977	0.2
56.57512	0.2
58.02959	0.3
62.26700	0.2
90.36265	0.2
91.22731	0.2
98.19847	0.5
121.59667	0.2
123.04581	0.2
131.03773	2.8
147.04501	0.4
150.74344	0.2
159.04477	0.2
161.03560	100.0
162.03917	3.8
175.04086	0.2
189.05507	0.3
201.05519	0.3
246.08469	0.3
261.10065	0.8
290.07678	2.4
290.13898	2.0
291.08313	0.2
294.68381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79348	39.3
109.02944	33.0
119.85428	23.7
123.04530	29.3
124.04873	31.1
125.02458	36.7
140.11195	26.0
161.43544	28.8
240.99083	26.1
290.07480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1399
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
50.70723	0.7
57.03446	1.2
58.50427	0.8
59.01361	1.2
61.23973	0.8
62.33003	0.7
71.01383	32.6
71.51321	0.9
79.05527	0.8
83.01380	0.9
88.04035	2.2
92.05051	4.5
97.02983	0.8
102.84359	0.7
109.02943	3.0
110.03302	3.1
115.00380	51.6
116.05079	0.8
123.04527	3.0
124.04825	2.3
125.02441	3.0
126.02808	1.6
130.06667	1.2
131.03821	0.7
137.02438	1.8
144.08228	4.8
147.04497	1.9
151.59521	0.7
152.04385	1.2
158.09753	21.0
159.10080	0.9
161.02287	1.5
161.03578	21.0
162.09148	1.2
162.12938	2.5
164.07182	5.1
166.09818	0.8
167.03477	2.5
168.03818	2.1
172.11328	5.8
174.12881	100.0
175.13220	6.6
202.16008	1.4
204.07465	1.5
206.05472	1.0
218.11824	1.0
246.08513	3.6
246.11142	1.7
246.14977	14.1
247.15225	1.2
290.07529	10.6
290.13992	14.7
291.14182	1.6
298.24161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00647	0.1
53.85944	0.1
59.01376	0.3
60.97495	0.4
61.98849	0.1
71.50272	0.2
74.99065	1.8
93.00127	0.5
93.05302	0.1
96.96017	0.3
98.20515	0.1
107.64962	0.2
117.87601	0.2
134.99371	0.2
143.05360	0.2
149.00951	2.2
149.22908	0.1
150.99004	0.1
161.06393	0.9
165.12840	0.3
192.61636	0.1
192.98108	1.3
206.99702	0.5
209.01263	4.2
210.01248	0.4
217.07217	2.0
220.85896	0.1
223.02736	0.2
225.00769	0.5
247.20546	0.2
254.58578	0.2
263.20099	0.2
270.92813	0.1
273.18655	0.3
275.05927	0.6
275.08679	0.2
289.07501	2.5
290.07654	0.2
291.09097	100.0
291.19623	6.0
292.09222	11.3
292.20102	0.4
309.10095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56067	0.3
57.03447	5.6
59.01382	0.4
65.82282	0.3
67.01880	0.3
69.03449	1.5
74.02455	0.7
79.95726	0.4
80.02678	0.9
81.03457	6.0
83.01381	7.0
83.05036	0.5
85.02934	0.5
92.05059	0.9
93.03451	3.2
94.06615	2.0
95.01382	1.8
95.05026	7.6
96.02164	0.3
96.96006	2.6
97.02949	13.4
99.04532	1.0
104.05025	0.5
105.03446	1.5
106.06622	7.1
107.05010	0.8
108.02164	2.0
108.04546	0.7
109.02950	50.1
110.03278	1.2
111.04496	0.7
117.03445	0.5
120.04568	2.7
121.02958	6.9
121.05329	0.6
122.03756	2.8
122.06115	6.7
123.03268	1.1
123.04523	33.2
124.01736	0.6
124.04842	0.7
125.02444	30.0
126.02756	0.7
131.05014	0.4
132.04538	1.7
133.02853	0.5
133.06575	0.5
135.04524	4.0
136.03949	0.4
137.02440	17.9
138.03314	2.0
138.05602	12.5
139.04016	6.8
140.07182	0.6
143.04971	0.8
145.02933	2.7
146.03740	2.0
147.04541	0.8
148.04031	0.6
149.02438	7.8
149.06047	0.4
150.03241	2.3
150.05615	4.1
151.04005	15.9
151.67427	0.4
152.04382	0.4
152.66951	0.4
154.02605	0.4
157.06575	0.9
158.03708	0.6
159.04507	5.1
159.06886	0.6
160.05299	2.9
161.02431	2.0
161.03667	0.3
161.06073	8.5
162.03218	3.1
162.06552	0.4
163.03989	2.3
164.01157	5.3
165.01930	8.1
166.02518	1.3
166.05081	0.9
167.03531	2.9
173.06065	2.2
174.03178	1.0
174.12871	0.5
175.04021	3.7
175.07622	3.9
177.05566	1.1
179.03488	11.1
179.11867	0.6
180.04132	0.6
185.06029	1.8
186.06740	0.5
187.03992	7.4
188.04774	5.7
188.07271	0.6
189.07942	1.2
190.02637	0.3
199.07642	1.3
201.05692	1.6
202.06335	3.9
202.12381	0.9
203.03500	0.9
203.07124	21.8
204.07507	1.1
205.05046	14.8
206.05437	1.0
209.05870	0.3
212.04764	1.0
213.06685	0.8
215.11848	0.9
217.05402	0.5
217.07413	1.4
221.08160	6.4
227.07033	3.3
229.04985	0.9
229.09738	0.4
230.05849	1.4
231.02948	1.0
231.09021	0.8
241.09793	2.2
243.11337	1.6
245.08165	37.2
246.08517	2.6
246.11331	1.7
247.06021	1.9
259.10818	1.2
271.06265	1.5
271.10852	3.9
289.07175	100.0
289.11844	13.3
290.07507	6.8
290.12384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
50.18561	0.4
54.69106	0.4
57.03447	5.8
59.01390	0.6
67.65447	0.4
69.03432	1.1
69.24324	3.3
77.03928	0.5
79.17815	0.4
80.02670	0.6
81.03455	5.8
81.32732	0.4
83.01385	7.3
83.71058	0.4
85.02953	0.7
93.03455	3.4
95.01382	1.7
95.05023	8.7
96.95992	0.6
97.02946	14.2
99.04525	1.3
105.03438	0.5
107.05020	0.8
108.02166	3.3
109.02952	49.1
110.03307	0.9
111.04530	0.7
112.30927	0.3
121.02955	7.2
122.03741	3.1
123.00919	1.1
123.04526	36.4
124.01654	0.5
124.04821	1.1
125.02445	30.7
126.02798	0.7
131.05035	0.6
133.02974	0.9
135.04533	3.7
137.02443	17.8
138.03333	2.1
139.04013	8.2
143.04990	0.5
145.02924	2.9
146.03758	2.2
147.04498	0.9
149.02432	7.1
149.05989	0.6
150.03291	2.0
151.04004	15.8
157.06557	0.6
158.03685	0.5
159.04518	5.0
159.08069	0.5
160.05313	2.6
161.02393	1.9
161.03635	0.4
161.06068	10.3
162.03242	3.1
162.06450	0.5
163.03973	1.8
164.01138	5.8
165.01932	9.3
166.02527	1.3
167.03543	3.3
173.02490	0.4
173.06070	2.3
174.03186	0.9
175.04059	3.2
175.07640	3.9
177.05583	1.1
179.03488	13.5
180.03883	0.7
184.05202	0.5
185.06076	2.0
186.06779	0.4
187.04001	9.2
187.07539	0.5
188.04776	7.3
189.05359	0.7
191.03560	0.7
199.07629	1.1
201.05574	1.4
202.06343	4.3
203.03450	0.8
203.07132	22.6
204.07425	1.4
205.05055	16.6
206.05307	0.7
212.04790	1.6
217.05002	0.7
217.08516	0.9
221.08195	7.4
222.08279	0.4
227.07149	4.0
229.05113	0.9
230.05840	1.7
231.02901	1.0
245.08167	38.7
246.08536	1.7
247.06026	2.4
271.06097	1.3
289.07172	100.0
290.07489	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	289.0719
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
55.01873	0.3
57.03448	6.7
65.00339	0.3
68.99814	0.3
69.03451	1.4
71.51359	0.3
71.51711	0.3
77.03958	0.4
80.02670	1.0
81.03457	6.1
83.01386	6.7
83.05012	0.4
85.02952	0.7
93.03461	3.5
95.01389	1.7
95.05029	8.9
97.02951	15.3
97.67904	0.3
98.03280	0.3
99.04528	0.9
105.03495	0.5
107.05035	1.2
108.02178	2.4
108.02846	0.4
108.23191	0.3
109.02952	53.4
110.03272	1.5
111.04543	0.7
113.06122	0.3
114.02305	0.3
117.03442	0.4
119.05006	0.5
121.02956	6.5
122.03762	2.5
123.00919	0.5
123.04527	36.7
124.01683	0.3
124.04848	0.8
125.02448	32.3
126.02763	0.7
131.05023	0.7
133.03032	0.7
133.06609	0.4
135.04529	4.9
137.02443	18.2
138.03276	2.3
139.04019	8.6
140.04338	0.3
143.04977	0.7
145.02953	2.6
146.03749	3.0
147.04518	1.0
148.01729	0.3
149.02443	9.0
149.06029	0.5
150.03250	2.7
151.04007	17.3
152.04367	0.3
154.02718	0.3
157.06586	1.2
158.03723	0.7
159.04526	6.2
160.05313	3.6
161.02473	1.5
161.06078	9.9
162.03230	3.1
163.04031	2.3
164.01143	5.9
165.01920	7.4
166.02644	1.3
167.03510	4.1
173.06065	2.2
174.03262	0.9
174.06679	0.3
175.03970	4.3
175.07614	4.0
177.05637	1.4
179.03496	12.3
180.03952	0.6
184.05255	0.5
185.06113	2.1
186.06862	0.5
187.03989	8.5
188.04779	6.3
191.03522	0.5
197.05969	0.3
199.07632	0.9
201.05580	1.3
202.06349	4.0
203.03542	0.9
203.07133	23.2
204.07481	1.3
205.05051	15.5
206.05458	0.4
211.04024	0.4
212.04794	1.1
217.05054	0.8
217.08733	1.0
221.08177	7.1
222.08611	0.3
227.07094	3.6
229.05006	0.7
230.05849	1.4
231.02953	1.4
245.08167	38.2
246.08553	2.2
247.06152	2.3
271.06287	1.7
271.08774	0.3
289.07169	100.0
290.07501	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	289.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.3
69.19421	3.2
69.19839	3.8
81.03451	2.6
83.01389	2.4
93.03448	1.8
95.01398	0.8
95.05033	4.6
97.02950	8.6
98.19845	1.3
103.64434	0.7
108.02156	1.0
109.02945	28.6
117.03535	0.9
121.02974	3.3
122.03751	1.4
123.04525	20.6
124.04874	0.7
125.02448	19.3
126.02861	0.7
135.04520	1.6
137.02457	11.4
138.03329	1.1
138.24240	0.7
139.04047	3.9
143.05029	0.8
145.03021	1.2
146.03741	1.4
147.04358	0.9
149.02425	4.9
150.03210	1.1
151.04010	9.8
159.04495	3.1
160.05234	1.9
161.02409	1.0
161.06073	5.0
162.03265	2.0
163.04012	1.5
164.01219	3.8
165.01941	4.4
167.03506	2.3
173.06076	0.8
175.03941	1.8
175.07626	1.9
179.03505	8.5
185.06154	1.0
187.03961	3.4
188.04759	3.3
201.05666	0.7
202.06361	2.5
203.07132	12.7
205.05031	10.3
217.08575	0.9
221.05766	0.7
221.08179	3.1
227.07066	2.6
245.08157	32.0
246.08653	1.8
247.06105	1.9
253.22926	0.7
259.71085	0.7
271.06122	1.3
289.07178	100.0
290.07611	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	289.0715
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.34661	0.3
56.98438	0.4
57.03450	4.8
69.03452	1.3
69.69794	2.3
80.02660	0.8
81.03452	4.5
83.01390	4.8
85.02943	0.4
90.21384	0.3
90.78834	0.4
93.03458	3.3
95.01367	1.0
95.05023	5.9
97.02954	10.9
99.04527	0.6
99.74163	0.3
105.03514	0.7
107.05022	1.0
108.02179	1.9
109.02951	40.4
110.03288	1.1
111.04520	0.5
117.03482	0.6
121.02964	5.0
122.03732	2.3
123.04524	28.8
124.04835	0.9
125.02448	22.4
133.06570	0.5
135.04533	3.3
137.02434	13.8
138.03220	1.3
139.04013	5.1
143.05017	0.6
145.02994	2.4
146.03700	1.8
147.04465	0.9
149.02448	5.4
150.03218	2.6
151.04005	12.2
154.02679	0.4
157.06570	0.8
159.04492	4.8
159.08134	0.4
160.05330	2.1
161.02425	1.3
161.06081	7.1
162.03262	2.0
163.04002	1.4
164.01155	4.1
165.01923	5.3
167.03488	2.7
173.06075	1.5
174.03156	0.5
175.04041	2.4
175.07649	2.8
177.05568	1.0
179.03499	9.8
185.06009	1.4
187.04021	6.0
188.04810	4.1
199.07649	1.0
201.05539	0.7
202.06320	2.0
203.07132	15.0
204.07350	0.4
205.05051	11.3
212.04840	1.1
217.05058	0.5
217.08626	0.8
221.08186	4.5
227.07054	2.3
229.05147	0.5
230.05817	1.0
231.02995	1.3
245.08174	36.3
246.08485	0.9
247.06049	1.5
256.93973	0.4
271.06094	1.5
289.07172	100.0
290.07455	3.6
308.24384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
53.72622	2.2
57.03440	10.2
65.03957	2.9
66.11440	2.3
69.03454	3.6
69.44550	17.1
81.03454	2.2
83.01394	13.4
85.54425	2.1
91.43510	2.1
93.03451	9.7
95.01378	4.0
97.02972	2.3
98.20657	4.5
107.05008	5.6
108.02194	4.2
109.02950	44.1
111.00920	3.1
112.10999	2.1
119.05107	2.1
121.02961	26.3
124.01665	9.5
125.02451	77.7
126.02793	3.4
130.04230	2.3
131.05034	4.4
133.02982	6.2
135.04512	9.6
137.02448	76.2
138.02815	3.6
145.06554	5.1
146.03754	3.8
147.04544	13.1
148.05359	3.1
149.02435	37.3
149.06041	3.5
150.03217	15.0
151.04034	22.2
155.04912	3.7
157.06566	3.6
158.03761	4.0
159.04518	10.2
161.02414	20.9
162.03203	5.1
163.04010	2.9
164.01176	8.4
165.01941	29.6
172.05292	9.1
173.06042	17.0
174.03200	7.0
175.03990	50.4
176.04820	5.3
177.01906	10.8
177.05554	10.8
183.04456	6.0
187.03952	4.3
189.05588	8.5
191.07170	6.2
197.06071	6.1
199.03946	7.3
200.04813	5.3
201.05568	39.3
203.03496	17.8
206.37875	2.3
215.07085	9.7
217.05052	15.2
219.06619	27.6
225.05507	9.1
241.05042	6.7
243.02992	5.7
243.06578	19.6
244.03584	2.6
245.04478	11.9
258.05365	8.4
259.06107	60.3
260.06497	2.5
269.04520	12.7
287.05618	100.0
288.05887	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	287.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.8
59.01378	100.0
60.01727	0.7
62.89328	0.6
65.00322	3.2
69.03468	0.7
69.91395	2.4
76.99734	0.6
79.46603	0.6
80.88667	0.7
81.03466	2.2
83.01395	4.7
85.10097	0.6
93.03452	1.6
96.95982	1.1
97.06606	0.6
99.04523	2.5
107.01379	2.5
109.02927	1.2
109.06568	0.8
111.00851	0.8
121.02957	1.4
123.04594	0.7
124.01659	2.7
125.02446	35.9
126.02763	0.9
131.04959	0.9
133.02954	1.4
135.04495	1.0
137.02438	2.5
143.74721	0.7
147.04515	0.7
149.02370	1.0
150.03215	0.7
151.00349	6.9
152.01167	7.4
153.01497	1.4
157.06615	0.8
159.04474	0.7
161.02428	1.1
165.01910	1.6
165.12833	2.1
172.05350	1.0
173.06039	4.7
175.03983	1.8
177.05525	4.6
178.99898	4.1
180.00124	2.0
199.07564	1.2
201.05568	3.9
203.03427	0.9
207.13864	3.0
209.11815	6.4
215.07204	3.5
219.06671	0.7
225.14929	8.1
227.12874	57.5
228.13171	2.8
241.05046	0.8
243.06625	5.3
251.12953	1.5
259.06094	35.5
260.06430	1.9
269.13934	13.9
287.05734	13.6
287.14990	86.2
288.05704	0.7
288.15338	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	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
53.12783	0.2
57.03442	0.3
59.01375	0.5
61.04785	0.2
67.05029	0.2
71.01385	0.2
76.10500	0.2
78.95886	0.5
79.55690	0.2
83.45621	0.2
97.06587	0.3
99.08159	2.0
99.25782	0.2
109.02932	0.2
109.06610	0.2
118.06622	0.3
125.02448	0.5
129.09184	0.7
136.07634	0.2
137.02419	0.4
139.11275	0.3
141.12860	1.9
149.27275	0.2
151.00328	0.4
155.14395	0.7
157.12415	0.2
175.04048	0.3
211.20564	0.3
221.19115	0.2
222.51318	0.2
227.16557	1.0
228.96082	0.2
231.67638	0.2
241.21785	1.4
259.06110	0.5
267.19424	0.2
269.21188	3.5
270.21497	0.2
285.20654	1.5
286.21271	0.2
287.05640	0.5
287.22256	100.0
288.22614	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	288.1604
Annotation	Lycoramine
Peak:m/z	Relative Intensity
53.82547	0.2
58.57984	0.2
58.90450	0.3
59.01380	0.5
69.93505	0.2
70.98770	0.7
81.03465	1.4
82.01958	0.2
84.31953	0.2
92.05046	1.3
93.03449	2.0
108.02155	0.5
108.04555	6.3
109.02946	6.5
121.02902	0.4
123.00903	0.7
124.01664	0.7
125.02496	0.4
134.02480	41.7
135.03291	9.9
136.04044	41.9
137.02455	2.2
137.04384	1.5
148.04042	0.9
149.04811	1.0
151.00357	0.5
176.03517	5.9
177.04230	0.5
181.03789	0.5
190.04967	0.3
204.06664	0.5
245.08163	0.3
245.15378	0.3
260.16452	0.4
270.14722	0.3
288.16037	100.0
289.07138	0.8
289.16336	8.8
300.85275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.30433	0.7
57.03442	5.4
58.41887	0.8
69.03440	1.2
69.53391	2.4
69.53814	2.9
69.80102	0.9
71.44660	0.7
81.03449	4.9
83.01373	4.2
90.84216	0.8
93.03434	3.6
95.01395	1.8
95.05023	5.3
97.02958	13.2
107.05019	0.8
108.02167	2.7
109.02953	44.0
113.06161	0.9
121.02960	4.9
122.03748	3.1
123.04528	29.9
125.02444	26.1
128.70813	0.7
135.04530	2.9
137.02449	15.7
138.03197	2.4
139.04012	6.5
145.02948	2.7
146.03708	2.3
149.02423	7.0
150.03229	1.9
151.04015	15.0
157.06569	0.9
159.04514	4.3
160.05269	2.5
161.02432	1.5
161.06079	9.0
162.03206	3.0
163.04037	2.4
164.01173	3.7
165.01933	6.3
167.03485	2.5
173.06015	1.6
173.88942	0.8
174.03201	1.6
175.03970	3.6
175.07629	2.6
176.67775	0.8
177.05568	1.0
179.03484	10.2
185.06100	1.8
187.04018	6.3
188.04807	5.8
199.07625	1.5
201.05606	1.4
202.06322	3.3
203.07147	19.8
204.07576	0.8
205.05046	13.0
212.04755	1.0
217.08659	1.5
221.08122	5.3
227.07149	3.3
245.08170	33.2
246.08458	1.3
247.06094	1.3
271.06107	1.7
289.07169	100.0
290.07602	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72622	2.2
57.03440	10.2
65.03957	2.9
66.11440	2.3
69.03454	3.6
69.44550	17.1
81.03454	2.2
83.01394	13.4
85.54425	2.1
91.43510	2.1
93.03451	9.7
95.01378	4.0
97.02972	2.3
98.20657	4.5
107.05008	5.6
108.02194	4.2
109.02950	44.1
111.00920	3.1
112.10999	2.1
119.05107	2.1
121.02961	26.3
124.01665	9.5
125.02451	77.7
126.02793	3.4
130.04230	2.3
131.05034	4.4
133.02982	6.2
135.04512	9.6
137.02448	76.2
138.02815	3.6
145.06554	5.1
146.03754	3.8
147.04544	13.1
148.05359	3.1
149.02435	37.3
149.06041	3.5
150.03217	15.0
151.04034	22.2
155.04912	3.7
157.06566	3.6
158.03761	4.0
159.04518	10.2
161.02414	20.9
162.03203	5.1
163.04010	2.9
164.01176	8.4
165.01941	29.6
172.05292	9.1
173.06042	17.0
174.03200	7.0
175.03990	50.4
176.04820	5.3
177.01906	10.8
177.05554	10.8
183.04456	6.0
187.03952	4.3
189.05588	8.5
191.07170	6.2
197.06071	6.1
199.03946	7.3
200.04813	5.3
201.05568	39.3
203.03496	17.8
206.37875	2.3
215.07085	9.7
217.05052	15.2
219.06619	27.6
225.05507	9.1
241.05042	6.7
243.02992	5.7
243.06578	19.6
244.03584	2.6
245.04478	11.9
258.05365	8.4
259.06107	60.3
260.06497	2.5
269.04520	12.7
287.05618	100.0
288.05887	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	287.0561
Annotation	Robtein
Peak:m/z	Relative Intensity
57.03444	8.4
58.97869	1.0
60.56882	0.9
63.56460	0.9
65.00320	1.7
65.03972	2.1
68.99800	1.1
69.03452	3.7
69.16584	10.5
71.59121	0.9
77.03968	2.1
79.01902	1.3
81.03439	1.7
81.04580	1.0
83.01387	17.9
86.03470	1.0
89.31048	1.0
91.08657	1.1
93.03461	11.1
95.01391	4.4
95.05045	1.6
97.02953	6.1
98.19741	1.5
105.03412	1.6
107.01385	1.9
107.04993	1.1
108.02165	5.0
109.02951	39.4
111.00867	4.2
119.05020	3.8
121.02951	41.2
122.03788	6.1
123.04498	2.6
124.01657	17.9
125.02447	72.1
126.02750	2.4
128.08325	1.0
129.03571	1.0
130.04242	2.6
131.05038	4.0
133.02922	4.7
134.03746	1.3
135.04526	17.1
136.01648	1.6
137.02444	100.0
137.30997	0.9
138.03113	2.2
139.03937	1.6
143.04959	1.2
144.05826	2.2
145.02911	2.8
145.06587	5.6
146.03719	2.4
147.04512	13.0
148.05342	6.6
149.02435	34.0
149.06102	5.7
150.03235	20.3
151.00368	1.7
151.03989	4.4
153.01967	1.0
155.05016	2.8
157.02979	1.5
157.06563	1.9
158.03673	5.4
159.04518	18.5
160.05032	1.1
161.02454	18.9
161.06012	2.9
162.03175	3.9
163.00385	2.7
163.03966	4.4
164.01143	11.7
165.01926	42.1
166.02473	1.3
171.04477	3.0
172.05295	12.7
173.02484	2.5
173.06062	27.7
174.03207	11.1
175.03999	63.1
176.04582	4.3
177.01936	9.8
177.05579	17.6
179.03511	2.5
183.04498	5.6
185.02670	1.2
185.06082	2.7
186.03195	1.1
187.04022	1.6
187.07646	3.4
189.05562	17.7
191.07153	8.6
196.05278	1.7
197.06093	5.4
198.03220	1.3
199.03969	6.0
199.07556	1.7
200.04829	5.7
201.01904	4.5
201.05568	47.3
202.05942	1.9
203.03481	19.9
204.04056	2.9
213.05527	3.4
214.06351	2.3
215.03653	2.1
215.07126	16.5
217.05034	20.3
218.05354	1.6
219.06595	20.9
220.07019	1.7
224.04726	2.0
225.05568	7.9
226.05901	1.2
227.03471	4.1
231.06578	1.1
232.03763	1.1
241.04991	7.8
243.03076	5.7
243.06613	16.2
244.03723	2.3
245.04547	8.3
258.05270	10.9
259.06085	64.9
260.06369	4.6
269.04501	9.8
287.05603	69.4
288.05957	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	14.2
59.01370	2.1
63.02407	3.6
65.00326	8.3
65.83538	0.6
68.50006	0.5
69.74750	0.7
71.01392	1.3
71.52069	1.2
81.03448	4.2
83.01387	10.7
89.93861	0.6
93.03456	2.8
95.01369	0.8
102.34307	0.6
107.01380	5.6
107.05014	1.6
108.02177	0.8
109.02968	5.6
111.00847	1.0
117.03463	0.7
118.86790	0.6
119.35449	0.6
121.02956	2.5
123.00858	0.9
123.04511	2.1
124.01675	4.1
125.02446	100.0
126.02795	2.8
130.04272	0.8
131.05025	2.1
133.02963	3.1
134.03734	1.3
135.04529	2.1
136.98865	0.6
137.02431	4.6
143.05003	0.7
144.66338	0.6
145.02971	1.2
145.06638	0.7
147.04538	0.7
149.02435	1.8
149.23013	0.7
151.00371	12.7
152.01164	8.5
153.01920	2.8
156.05835	0.8
157.06573	1.9
158.03735	1.7
159.04491	2.7
161.02452	2.6
164.01044	0.6
165.01923	3.2
169.06480	0.8
169.12373	1.1
171.04439	1.4
172.05309	2.2
173.06061	5.7
175.03973	3.0
177.02049	0.9
177.05566	16.2
178.05928	0.9
178.99867	5.6
185.11813	2.0
187.07655	0.8
195.10254	0.7
197.06085	1.3
197.11813	7.5
199.03981	1.1
199.07645	2.7
200.04826	0.8
201.05554	11.6
203.03523	2.6
207.87611	0.7
213.05606	1.4
213.11162	0.8
215.07111	5.5
217.04971	1.0
219.06555	3.8
225.05574	1.5
227.12724	0.9
229.14456	0.8
241.05067	2.9
243.06606	15.2
244.07028	1.3
259.06091	67.0
260.06430	5.3
269.04517	3.2
275.33594	0.7
287.05606	46.2
287.15222	4.2
287.18182	1.2
288.05942	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03455	11.4
65.00307	1.4
67.01871	1.6
68.99815	1.4
69.03454	3.4
71.00895	2.4
77.03979	2.4
79.01888	2.5
81.03446	2.5
83.01391	15.5
93.03479	9.2
95.01389	4.0
97.02964	7.0
107.01374	2.0
107.04988	1.2
108.02180	5.5
109.02955	40.7
110.03270	1.1
111.00860	3.8
113.67280	1.2
119.04987	2.6
121.02959	41.6
122.03728	4.1
123.04523	2.9
124.01662	17.9
125.02449	74.2
126.02820	2.0
130.04239	2.1
131.05034	2.7
133.02995	5.5
134.03748	1.8
135.04514	19.4
137.02444	100.0
138.03198	2.0
139.03973	1.2
143.05029	1.8
145.02902	2.3
145.06554	4.6
146.03758	2.5
147.04504	13.7
148.05307	5.5
149.02444	36.0
149.06064	8.9
150.03233	16.5
150.53674	1.2
151.00351	1.6
151.03966	4.5
153.01971	1.8
155.04980	2.7
157.02896	1.5
157.06534	1.6
158.03763	5.8
159.04518	18.4
160.04924	1.3
161.02452	22.5
161.06099	2.9
162.03180	4.3
163.00345	2.2
163.03970	4.8
164.01169	13.8
165.01927	41.5
166.02396	1.4
167.04976	1.1
169.06570	1.3
171.04510	3.9
172.05278	14.5
173.02464	2.7
173.06090	29.4
174.03197	9.2
174.06313	1.2
175.03995	63.8
176.04562	3.8
177.01935	9.8
177.05573	18.9
179.03479	1.5
183.04521	4.7
185.06070	2.8
186.03214	1.2
187.04077	1.8
187.07648	4.1
188.04707	1.7
189.05560	19.9
190.06006	1.6
191.07159	9.4
196.05161	1.2
197.06044	7.2
198.03413	1.1
199.04024	8.1
199.76347	1.1
200.04738	5.4
201.01842	2.3
201.05597	44.7
202.05872	2.8
203.03506	18.6
204.04265	3.2
210.03052	1.1
213.05556	3.1
214.06305	1.5
215.03557	2.4
215.07133	17.6
216.04152	1.2
216.07422	1.5
217.05046	18.3
219.06621	18.4
225.05582	8.4
227.03481	3.5
228.04358	1.6
241.05045	8.3
243.03020	5.5
243.06616	15.3
244.03641	1.9
244.06805	1.2
245.04483	7.7
258.05331	11.1
259.06113	67.7
260.06439	3.8
269.04520	8.9
287.05609	72.7
287.22202	2.2
288.05896	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	286.039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.3
64.97041	0.2
70.98396	0.4
78.95906	2.3
78.96333	0.3
79.95736	10.1
80.96510	0.8
88.04049	0.5
96.96958	5.2
106.98107	0.5
124.00742	100.0
125.01073	0.8
125.02444	0.9
125.96397	0.2
131.67734	0.2
135.04503	0.3
145.57272	0.2
242.05331	0.3
267.57925	0.2
267.61044	0.2
286.03909	11.9
287.04108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01349	0.4
68.51241	0.3
69.43577	2.6
70.02979	0.9
74.06095	1.9
78.95892	0.4
84.04499	0.3
84.04982	0.4
103.82699	0.4
117.07117	0.7
118.05083	0.6
125.02403	0.3
240.23357	2.7
242.21219	1.7
268.22775	0.8
286.23856	100.0
287.16367	0.5
287.24234	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	287.0562
Annotation	Robtein
Peak:m/z	Relative Intensity
55.01883	1.1
57.03456	7.6
65.00328	3.2
67.01880	1.8
68.99818	2.0
69.03448	4.9
77.03983	4.2
81.03461	2.0
83.01376	21.5
85.02960	1.4
93.03450	10.6
95.01390	5.1
95.05029	1.6
97.02951	5.1
105.03381	1.4
107.01385	2.7
107.05011	1.5
108.02158	7.8
109.02948	39.5
111.00822	2.1
117.03436	2.1
119.05047	4.3
121.02954	45.4
122.03715	5.3
123.00887	4.0
123.04515	2.2
124.01658	18.1
125.02443	62.2
129.03426	1.4
130.04231	3.1
131.05054	4.2
133.02951	5.2
135.04532	20.6
137.02446	100.0
138.03232	2.7
139.04031	2.3
145.02957	3.2
145.06602	6.1
146.03728	3.3
147.04530	13.3
148.05296	5.4
149.02431	35.1
149.06067	9.5
150.03238	17.6
151.00314	3.4
151.04004	4.8
155.05020	4.2
157.06641	1.7
158.03757	5.4
159.04489	21.9
161.02426	21.2
161.06079	3.0
162.03122	3.2
163.00377	1.9
163.03961	4.4
164.01160	11.1
165.01927	43.9
166.02383	1.5
171.04530	3.8
172.05275	16.8
173.02417	2.3
173.06073	31.3
173.07539	2.0
174.03250	10.2
174.06372	1.8
175.04005	62.6
176.04739	6.5
176.46495	1.4
177.01950	9.1
177.05577	18.3
183.04517	6.2
187.03915	2.0
187.07693	3.3
188.04626	1.9
189.05579	17.8
190.06236	2.4
191.07191	9.3
197.06020	8.7
199.04053	6.4
199.07591	2.2
200.04793	7.1
201.01886	4.1
201.05574	47.9
202.05768	1.7
203.03508	19.3
204.04233	3.9
213.05530	3.4
214.06360	2.4
215.07115	16.0
217.05061	17.4
218.05493	1.6
219.06631	19.9
225.05499	11.5
227.03479	3.2
228.04163	1.5
241.05106	10.4
243.02954	5.3
243.06668	16.4
244.03822	1.7
245.04553	5.3
258.05292	15.1
259.06094	70.7
260.06485	5.1
269.04578	8.2
287.05624	74.5
287.22348	1.9
288.05811	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0827
Annotation	globosumone C
Peak:m/z	Relative Intensity
53.12687	0.5
59.01379	38.2
60.01693	0.5
70.55870	0.5
71.01376	4.2
71.50438	0.8
73.02973	0.7
73.39891	0.5
85.02029	0.5
85.02943	0.7
85.64339	0.5
87.00877	100.0
88.01242	0.7
89.02441	4.1
96.96017	2.2
98.59631	0.5
106.94513	0.5
108.02156	3.0
119.05013	1.8
121.02945	2.7
121.06594	4.3
123.04520	3.8
124.01669	1.2
134.03714	1.1
135.04529	11.2
136.05304	9.2
137.05998	0.5
139.99359	4.8
149.06088	0.5
150.03233	1.2
151.04010	4.0
151.07672	5.1
152.09187	0.5
153.09201	0.7
155.01743	4.2
161.06105	1.4
177.09178	1.1
195.06622	74.4
196.06956	2.9
203.07152	1.7
214.96202	0.5
221.08173	3.9
227.03629	0.5
255.03035	0.7
265.07132	1.3
283.02847	0.8
283.08270	14.8
283.11374	0.8
283.26425	18.6
298.55997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.2
69.03457	36.6
69.91891	2.7
69.92310	5.6
71.01382	17.2
71.05006	1.8
72.99306	20.9
85.02930	3.5
87.00874	31.4
96.96017	2.7
97.02948	100.0
97.06601	2.8
99.00804	2.2
102.98596	1.6
106.04230	5.3
107.04917	1.4
107.08606	1.8
111.08150	13.7
113.02433	6.8
117.44244	1.7
121.02944	5.0
121.06548	1.9
123.04529	3.2
123.08157	3.3
124.01630	1.7
133.10201	2.9
134.03767	13.0
135.04503	4.6
135.08165	13.4
136.05312	2.9
137.02394	1.8
137.09711	3.6
139.11313	2.2
139.99367	1.9
147.08208	2.8
148.05309	2.7
149.06090	2.2
149.09717	25.6
151.03975	2.0
151.07658	16.1
151.11325	3.1
152.04646	2.0
153.01926	2.4
155.01727	1.8
159.08081	1.9
167.07147	2.6
167.10788	15.5
177.09206	62.3
178.09567	3.5
195.06622	20.5
195.10255	91.9
196.10527	4.5
209.08113	2.8
211.09750	4.7
221.08179	5.7
239.09242	26.4
242.53947	1.8
250.58720	1.7
265.06931	2.7
283.08231	81.5
283.26428	86.1
284.08649	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	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.56177	0.5
57.96254	0.4
65.56682	0.4
69.94769	0.4
70.64092	1.2
95.57967	0.4
107.05026	99.4
108.05396	2.6
123.04481	0.6
127.54016	0.5
150.69467	0.5
163.11281	100.0
164.11597	4.0
171.83978	0.5
192.13739	0.5
281.30725	0.5
283.17026	88.5
283.26367	26.6
284.17407	6.9
284.26791	0.9
300.03760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01365	0.4
63.02398	1.0
65.00326	3.7
69.28357	1.5
69.28780	0.9
74.09798	0.3
75.37498	0.3
83.01375	1.5
103.26720	0.3
105.03426	0.6
107.01384	5.1
121.02939	1.3
123.04543	0.7
132.02202	0.5
133.02954	29.4
134.03284	1.3
135.04561	0.4
136.65707	0.3
143.05023	0.4
147.04510	0.3
149.02466	3.4
151.00368	8.9
161.06134	0.4
171.04529	0.5
172.57378	0.3
175.03992	5.4
176.04381	0.3
185.06036	0.4
191.76256	0.4
197.06075	0.7
198.03197	1.0
199.03981	4.5
201.01979	1.8
213.05511	0.8
215.03465	0.9
217.05104	2.3
219.14281	0.4
223.03897	0.4
225.11336	0.4
226.02718	0.4
227.03555	0.3
229.05032	0.4
241.05121	2.2
243.02940	1.4
257.04498	1.2
267.03079	0.4
284.26730	0.4
285.04037	100.0
286.04376	8.0
286.06775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56971	0.3
56.82809	0.3
59.01390	0.3
71.04792	0.6
78.95904	37.2
79.95736	2.4
80.96497	0.4
87.00872	0.4
96.96960	100.0
108.02158	0.4
109.02961	0.3
115.73901	0.3
123.04529	0.8
124.00742	27.1
132.55530	0.3
134.03740	0.4
147.04556	0.3
149.06139	0.4
156.01256	0.5
168.99088	0.8
171.04549	0.3
197.04527	0.8
201.71109	0.3
210.42674	0.3
254.83086	0.4
284.26773	0.5
285.04019	1.0
285.07214	1.0
285.10095	0.5
286.03894	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	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.67612	0.7
54.33259	0.6
55.57862	0.7
57.03450	1.1
59.01377	1.4
67.64468	0.7
71.50098	1.1
78.95892	1.2
98.20741	0.9
123.04530	4.0
128.80077	0.6
204.67715	0.7
221.18973	0.9
223.20663	65.5
224.21065	3.6
233.10809	0.7
241.21815	1.5
267.19638	37.6
268.19962	2.7
285.04254	4.0
285.20706	100.0
286.04239	0.8
286.21039	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	281.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53870	0.5
57.03442	0.4
59.01380	2.2
66.61847	0.4
67.18956	0.4
71.01405	0.5
79.95720	2.1
96.96010	100.0
98.95597	0.7
101.02416	0.6
113.02420	0.5
137.02429	0.6
146.46660	0.4
164.07181	0.5
191.14053	0.4
237.14874	0.7
281.14273	79.6
281.24805	1.1
282.14633	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	282.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98822	1.1
67.51395	0.6
71.01373	9.2
71.19656	0.8
71.19983	0.7
72.00880	0.7
78.95901	0.9
88.04037	55.8
93.03455	2.9
96.96958	3.1
114.01954	4.5
115.00368	19.4
121.02943	2.8
122.03728	0.8
123.04526	19.8
123.05381	1.3
132.03023	100.0
133.03360	1.8
133.96053	0.6
138.83032	0.7
139.04008	8.2
149.02437	19.5
150.02876	0.7
150.04184	1.5
151.02426	0.8
165.01837	0.8
166.05083	11.5
167.03493	8.8
183.57112	0.5
188.07202	1.2
238.07210	4.4
238.68968	0.6
264.05042	3.6
272.32397	0.6
282.06168	42.8
283.03506	0.9
283.06354	3.0
283.26370	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	282.0842
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.21460	0.3
57.04528	0.4
59.01368	1.5
61.98829	1.4
66.00977	0.9
69.80573	1.5
70.05550	0.3
71.01379	1.2
72.99310	0.4
76.97215	0.4
82.04101	0.9
85.02969	0.4
85.20483	0.3
88.04055	0.5
91.03513	0.3
93.03472	1.6
94.33968	0.3
95.05032	0.8
101.02397	0.5
107.03640	4.5
108.02041	9.9
113.02369	0.3
115.02552	0.4
117.00430	3.2
126.03095	4.4
132.03043	0.8
133.01561	31.1
134.10362	0.3
139.94221	0.9
141.00400	0.7
150.04205	100.0
151.02695	2.6
151.03748	0.5
151.04720	1.8
153.04039	1.0
155.01987	0.9
159.01486	7.7
165.05528	0.4
169.03537	0.5
177.04079	0.6
179.01994	2.2
194.03078	0.4
195.01312	0.5
195.05116	1.3
197.03058	1.6
197.86916	0.4
199.00963	0.9
199.04599	0.7
211.04630	0.6
213.06177	0.6
221.03044	2.3
222.02452	0.5
223.01030	0.5
236.04091	0.5
239.04085	2.3
241.01987	1.5
247.08034	0.6
255.03635	0.6
266.06323	0.5
281.95581	0.5
282.08414	27.3
283.03098	20.6
283.05524	0.5
283.08185	2.0
283.26349	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	281.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71058	1.9
58.02969	5.1
59.01376	13.3
61.98829	56.7
71.01372	8.2
71.49788	2.5
77.06200	2.3
83.05047	2.5
85.02948	4.6
87.00835	3.7
88.04039	23.9
93.03436	2.6
96.96002	5.3
101.02414	5.9
109.02921	2.7
114.01957	3.0
115.00372	4.5
118.02958	7.3
119.03522	2.2
119.05074	3.1
121.02940	3.5
123.08010	2.1
124.31551	2.1
130.05103	4.1
132.02995	11.0
134.03726	42.4
134.35872	2.1
135.04465	2.6
137.02481	10.7
139.04037	2.9
147.04459	2.5
148.04192	2.5
148.05299	14.9
149.06088	19.8
150.03052	2.4
160.05258	11.7
161.04483	2.7
161.05992	6.4
162.01976	3.3
163.07649	2.5
166.05099	2.3
174.04071	11.3
175.07620	5.1
178.02715	38.0
178.06230	3.3
192.04257	3.5
193.05046	100.0
194.05458	5.6
194.91759	5.9
204.04227	6.5
207.06525	2.8
219.06606	9.9
222.05315	7.2
237.07678	18.9
237.14868	5.7
237.92276	5.7
263.05475	3.0
281.06717	6.6
281.14017	5.5
281.24829	8.0
282.06241	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
54.37083	0.9
55.01877	1.5
56.55302	0.8
57.03448	17.8
59.01382	9.5
65.03674	0.8
65.03966	4.2
69.03463	1.7
71.01403	1.4
71.05016	2.7
73.02960	1.4
81.03455	1.4
81.76556	1.1
83.05024	18.5
85.02934	1.2
87.00872	23.5
93.03471	1.5
93.07119	1.2
95.05051	4.5
96.02187	1.3
96.96055	1.1
97.02962	2.0
97.06595	1.5
98.19852	1.6
106.04215	1.4
109.06585	2.2
111.04523	7.6
111.08174	6.2
113.06110	1.6
116.78661	0.9
119.08647	3.4
119.71868	0.9
121.06591	10.9
122.06889	0.9
123.08163	39.1
124.05279	2.7
124.08527	1.3
125.06031	0.9
125.09682	1.3
129.07091	2.0
133.02960	2.1
133.06647	1.7
134.03748	5.4
135.08122	3.1
137.06052	1.7
137.09720	4.1
138.06828	1.6
138.32076	0.9
139.07642	8.9
143.08641	1.4
145.10229	4.9
148.05275	3.1
149.06099	1.5
151.07658	4.5
153.09218	5.1
153.76028	1.1
159.11714	1.3
160.05281	2.2
161.06090	1.6
169.08685	3.3
169.10233	4.1
171.11789	49.0
172.12102	2.1
175.11237	2.1
178.02704	3.2
185.09677	0.9
188.96935	1.0
188.98824	1.0
189.12846	16.0
191.03502	1.7
193.05046	9.6
201.12839	13.8
202.13116	1.1
204.04156	1.1
207.06686	1.4
207.13881	11.3
219.06563	2.5
219.13908	7.4
222.05386	1.5
237.07701	3.5
237.14954	63.1
238.15349	4.9
281.13931	100.0
282.14291	7.7
298.01263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1085
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
56.87281	1.0
57.03432	1.4
58.00587	2.9
59.01378	100.0
60.01732	1.5
71.01382	53.1
71.05006	1.9
71.50359	1.2
72.99297	3.9
73.02944	2.9
76.02432	1.0
80.37047	0.9
80.96501	2.3
83.01358	2.4
85.02952	13.1
87.00875	3.5
89.02443	64.9
92.99401	1.1
93.76159	1.1
95.01382	4.5
99.00854	1.6
99.04535	5.8
101.02438	34.0
113.01711	1.9
113.02447	25.1
117.05563	9.3
119.03502	30.2
123.04472	1.3
131.03479	2.8
132.03029	1.2
134.03613	3.2
143.03520	2.6
149.04588	1.3
160.02640	1.6
161.04581	2.7
176.04674	5.4
179.05540	3.5
236.09396	1.7
279.05881	2.0
279.10843	50.3
279.23303	3.5
280.05673	1.3
280.08423	2.2
280.11362	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
59.01371	1.3
62.75740	0.4
66.72211	0.4
67.70872	0.4
71.01366	0.7
71.50646	0.8
79.50238	0.4
85.02952	0.5
87.00888	1.8
93.03438	0.8
96.96016	2.5
113.02446	0.7
119.05048	0.8
121.02986	1.3
121.18312	0.4
122.94772	0.4
133.02937	1.5
134.03741	45.4
135.04088	1.2
137.02454	8.6
139.04019	1.7
149.06082	14.4
150.03244	1.3
171.11810	1.1
178.02704	34.2
179.03050	1.2
180.94797	0.4
189.12892	0.6
193.05048	100.0
194.05396	4.5
204.65985	0.4
219.06677	0.8
237.07683	0.7
237.14970	1.3
281.06946	2.2
281.13959	1.7
281.24857	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51058	0.6
57.03448	0.6
59.01371	1.4
69.94880	3.3
71.01389	0.6
82.83277	0.7
87.00865	1.1
96.96012	2.7
98.19963	0.9
119.04984	0.7
121.02929	2.0
132.03033	0.8
133.02957	1.6
134.03746	45.6
135.04066	1.4
137.02440	7.8
139.03052	0.7
139.04010	2.5
149.06093	14.5
150.03204	0.8
161.21812	0.6
171.11790	1.7
178.02711	36.5
179.03027	1.3
193.05052	100.0
194.05418	4.4
203.50038	0.7
281.04251	0.8
281.06931	2.7
281.13907	1.9
281.24872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.48857	0.9
97.90863	0.7
98.19920	1.2
127.64700	0.7
179.60556	0.7
212.34076	0.8
228.97343	0.8
240.36720	0.7
265.23868	0.8
277.21710	100.0
278.22113	8.6
282.50018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86346	1.6
57.03436	1.8
59.01368	5.3
60.78508	1.7
71.01377	22.0
71.51250	2.2
72.99310	2.7
80.96501	2.2
85.02966	3.4
87.00896	2.3
95.59287	1.7
96.96015	6.0
101.02446	3.5
115.00368	40.7
119.05029	36.5
133.01433	100.0
134.01865	2.3
139.07730	2.2
147.04530	1.9
163.03990	32.3
166.39188	1.8
177.33357	1.8
235.06250	2.1
279.09039	3.1
279.12592	2.2
292.20444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01377	100.0
63.67957	0.9
69.03458	1.7
70.37301	1.7
70.37698	2.0
71.01388	2.3
71.05009	1.7
72.99950	0.8
73.02946	1.3
73.95368	0.9
83.05019	8.0
85.02949	3.1
90.79762	0.9
97.06582	3.9
99.04537	2.0
99.08203	0.9
101.02454	2.1
101.06079	10.9
106.06626	1.0
108.04539	1.1
109.06586	11.5
110.06157	1.0
113.06073	1.6
115.00372	1.1
119.05019	2.0
121.06596	1.4
132.03030	5.7
139.07640	11.2
147.04659	1.0
155.10794	8.6
173.08197	1.2
197.11769	3.1
199.09760	3.8
200.17833	1.0
215.12848	6.8
217.10793	40.9
218.11102	1.5
241.10776	2.5
259.11847	14.5
277.12900	95.9
277.21478	5.2
278.13181	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
51.78072	0.4
54.04166	0.4
59.01173	1.5
59.01517	2.6
61.98925	0.6
65.65286	0.4
66.02236	0.5
66.68957	0.4
67.24723	0.4
73.44326	0.4
82.59727	0.5
94.22610	0.5
98.20663	1.4
102.69856	0.5
103.02363	1.2
109.35834	0.4
121.03290	4.0
126.29597	0.5
133.33388	0.5
146.99501	1.0
147.08479	4.5
149.01071	0.7
165.00424	10.8
181.00063	0.7
189.04175	1.4
191.05641	10.5
192.05875	0.7
205.07219	1.2
205.16028	1.5
207.05209	0.9
217.07246	0.9
231.08777	1.6
233.10321	100.0
234.10493	6.7
259.15433	0.9
277.16486	81.5
277.21564	13.6
278.16711	8.8
278.21817	1.1
288.40976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.34501	0.4
58.50598	0.5
59.01376	10.3
71.01369	0.6
71.50607	0.5
79.95730	0.8
83.05005	0.6
96.96011	0.6
118.38609	0.4
121.02962	1.2
127.11258	0.9
132.85907	0.4
134.03752	1.2
195.97775	0.5
205.15932	2.7
233.11771	0.5
233.19127	1.0
233.22713	0.7
259.20645	1.0
277.18149	19.7
277.21692	100.0
278.18530	1.3
278.22028	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	276.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24135	0.9
66.03472	3.4
68.05054	2.9
69.51629	6.6
71.01354	0.9
72.00896	2.8
85.57626	0.8
91.05524	8.0
95.32436	0.9
96.04546	1.8
96.05181	0.7
97.02952	2.9
114.05605	100.0
115.05926	1.9
117.03459	2.3
128.03481	0.9
135.04518	14.8
136.07664	1.6
140.03537	44.8
141.03893	1.2
142.18320	0.9
147.04749	1.1
158.04578	95.4
159.04904	2.5
175.92145	1.0
232.09756	6.0
276.05750	1.6
276.08755	17.1
276.11877	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	277.0718
Annotation	Coumarleucasin
Peak:m/z	Relative Intensity
55.46989	0.6
59.17304	0.5
61.29061	0.6
68.44027	0.6
69.19460	4.5
69.19874	2.0
92.16899	0.7
96.95988	0.6
97.02936	1.1
111.00869	0.7
117.03472	0.8
121.02940	0.7
123.04482	0.8
124.45243	0.6
133.02968	2.5
134.03709	1.2
137.02486	1.1
145.02951	1.2
147.00745	0.6
147.04498	0.9
148.01686	0.8
159.04486	0.6
160.01688	2.7
161.02437	100.0
162.03081	4.9
163.03998	2.4
173.06050	0.9
174.03125	1.0
175.04054	1.4
177.01845	1.5
179.03517	4.9
188.01144	1.3
189.01920	32.0
189.05510	2.9
190.02348	1.2
193.05086	0.7
194.02188	2.8
201.05588	2.0
203.03476	2.0
205.01405	69.9
206.01796	3.9
210.80547	0.7
217.05026	15.6
218.05791	6.8
220.03790	1.4
221.04530	9.8
222.05072	0.9
238.09386	0.6
245.04524	26.0
246.04881	1.8
248.03256	2.6
249.07649	10.0
262.04807	29.9
263.05170	1.0
277.07156	74.5
277.21619	5.5
278.07394	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	277.0927
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
55.01878	6.8
57.03437	7.7
58.02976	1.7
58.65583	1.3
59.01379	37.4
69.03432	1.5
69.48754	1.2
71.01380	100.0
71.05007	3.1
71.49692	1.7
72.99297	3.8
73.02942	31.0
75.00895	1.7
78.95880	2.2
83.01377	13.6
83.04996	1.6
85.02950	50.1
87.00877	2.4
89.02443	13.1
92.05083	1.3
95.01378	8.8
97.02940	4.0
99.00873	12.0
101.02438	57.5
105.97099	1.3
113.01633	1.9
113.02444	37.5
114.02766	2.0
115.00328	2.5
115.04012	40.8
118.29343	1.2
119.03452	2.4
119.04993	3.0
125.02441	2.2
127.05059	1.3
128.03549	3.6
129.01924	1.5
132.03009	5.6
136.52322	1.3
148.04045	3.4
152.27385	1.3
152.67311	1.4
159.02980	8.7
161.04546	26.3
173.08208	1.5
181.08635	1.6
197.11584	1.4
215.08154	2.0
215.12929	1.6
233.10301	6.1
255.01633	1.4
277.09164	18.7
277.12814	8.7
277.21658	8.6
283.56171	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	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
69.84422	0.4
71.51640	0.6
71.52061	0.7
85.02934	0.5
125.02445	0.9
130.04254	0.9
133.02937	0.5
134.03784	0.6
136.07738	0.7
146.03696	1.2
151.07661	0.9
158.03702	3.2
159.04509	4.2
159.08113	0.8
159.57523	0.4
172.05299	11.3
173.06081	8.6
174.06808	0.9
175.07591	0.7
183.04472	0.8
187.04128	4.9
187.07637	100.0
188.08002	4.5
201.05573	11.0
202.06348	19.6
203.06776	1.2
203.10779	0.8
204.04260	1.8
213.09233	3.4
215.07077	1.0
216.07895	1.3
231.10255	19.2
232.10571	1.0
269.98291	0.5
275.06592	1.4
275.09354	2.4
276.09314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48410	0.4
59.01372	1.4
62.39826	0.5
70.86559	0.5
71.51230	0.6
71.51623	0.5
72.00906	0.7
72.59254	0.5
72.99322	0.5
74.02427	0.5
76.63773	0.5
84.04556	1.1
86.02477	0.6
86.06122	1.3
93.82734	0.4
94.02971	1.0
96.04557	6.2
111.05640	6.6
113.07211	29.3
114.07514	0.7
117.03468	1.4
121.04061	0.7
127.05159	0.4
134.06070	0.4
137.02652	0.4
137.03516	2.1
138.46503	0.5
139.05136	18.2
140.03531	2.0
153.09175	0.5
157.06186	100.0
158.06578	2.5
178.70282	0.4
203.08421	0.6
215.09216	4.2
223.20505	0.5
231.11418	0.9
257.09372	1.8
275.02133	0.5
275.10367	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	273.0768
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
57.03441	2.3
59.01357	1.5
69.03449	3.2
72.99316	1.0
73.02946	1.2
80.02682	1.4
81.03447	3.5
83.01383	5.2
93.03457	13.6
95.01373	1.4
95.05035	10.2
96.96052	1.1
97.02947	57.0
98.03730	2.4
99.04526	1.1
107.05055	4.4
109.02941	2.4
111.04501	0.9
119.05013	4.1
121.02937	2.5
122.03736	1.5
123.04530	13.2
125.02477	4.3
130.08730	3.3
131.04961	1.0
133.02943	7.8
134.03751	5.3
135.04523	9.1
137.02444	18.6
138.03249	5.5
139.04018	7.5
143.05037	1.4
145.06543	1.6
147.04506	3.4
149.02480	1.4
152.90041	0.8
159.04474	0.9
161.06055	2.9
164.01138	2.7
165.01794	1.0
166.02701	4.5
167.03490	1.3
169.06517	1.5
171.04500	3.8
172.05266	1.0
172.09860	1.7
179.03535	1.8
182.05684	0.7
185.06044	2.5
186.06898	3.6
187.03992	0.9
187.07652	13.0
189.05583	16.5
190.05994	1.0
193.07677	1.0
201.05682	1.1
205.08705	14.8
206.08972	1.0
211.07565	2.1
213.05641	1.9
214.06310	0.9
222.18993	0.8
229.08673	16.2
231.06569	4.1
255.06635	6.7
255.08957	1.2
255.11308	0.9
273.07666	100.0
274.07980	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.43300	0.4
52.64701	0.5
59.01378	0.6
63.08782	0.4
71.50359	0.6
82.19077	0.5
108.02155	0.8
125.02364	0.7
133.59938	0.4
152.65062	0.4
153.05363	0.4
213.05559	0.9
225.22258	4.2
241.05066	1.2
253.21712	1.4
256.07425	1.0
269.21082	1.2
271.22769	100.0
272.23111	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
62.88284	0.9
71.50797	1.3
72.99306	3.0
75.82674	0.9
78.95905	14.6
87.00887	2.3
90.44743	0.9
97.77337	1.0
110.98544	10.1
118.05328	1.0
125.00945	37.9
126.01138	1.6
126.98877	20.7
127.03970	1.0
130.01443	0.9
141.97601	2.4
159.01431	1.1
168.99925	100.0
170.00066	7.5
183.01479	4.0
185.03125	1.3
192.99026	2.2
206.32738	0.9
210.99994	5.3
241.01103	1.6
254.99098	4.7
273.03769	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	273.0768
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03463	2.1
59.01376	1.0
61.98820	0.5
63.02388	0.4
65.00310	2.5
68.99814	0.5
69.03471	0.4
70.04462	1.1
78.95899	0.4
80.02711	0.4
81.03455	27.1
82.03814	0.8
83.01382	8.2
93.02864	0.5
93.03455	10.5
95.01402	0.6
95.05025	1.2
96.36215	0.3
99.04518	0.5
107.01384	2.9
107.05040	0.3
107.97743	0.3
111.04547	0.3
119.05027	23.9
120.05372	0.5
121.02975	0.5
123.04523	45.1
124.04861	1.0
125.02445	12.7
126.02795	0.5
135.04538	1.9
137.02438	0.3
145.06606	0.4
147.04611	0.4
149.02443	0.9
151.00362	5.0
153.04688	0.3
163.07716	0.3
164.01213	0.3
166.02786	0.5
167.03491	100.0
168.03830	2.9
169.06601	0.9
169.50259	0.3
171.04561	0.6
172.05365	0.4
179.03497	9.0
187.07631	0.9
189.05557	3.8
210.85300	0.3
211.07623	0.7
229.08691	2.1
245.04376	0.3
255.06688	1.0
273.07672	59.9
273.61646	0.3
274.08023	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01373	4.1
69.25692	17.8
70.64017	1.9
71.01383	6.4
72.99309	3.0
80.02737	2.1
80.90540	2.0
83.01388	6.0
85.02946	2.5
87.00896	2.4
88.04051	5.2
97.06596	3.9
99.00894	6.6
108.02175	5.2
109.02956	3.6
109.06561	3.0
112.98816	7.4
113.99595	2.3
125.02431	8.5
125.06142	5.0
125.09740	14.0
137.02438	4.3
137.06082	5.7
139.07635	2.6
142.99840	4.7
153.04338	2.3
153.05562	8.7
153.09248	6.7
156.10262	2.6
164.01140	3.3
165.05531	3.5
167.07076	2.8
169.08659	3.4
173.00845	2.2
174.01688	100.0
175.02269	3.0
193.05025	8.3
241.02258	2.0
241.04898	3.5
271.02496	2.0
271.08313	34.7
271.11008	3.6
272.11426	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30532	1.3
59.01361	1.6
69.03469	1.9
71.01389	4.6
71.50779	1.8
72.99311	6.2
77.14485	1.2
80.02681	2.4
81.03449	2.1
83.01375	4.0
87.00852	1.4
93.03442	1.6
97.06583	2.6
99.00882	5.6
105.07067	1.2
107.05054	2.5
108.02173	4.8
109.02953	39.1
109.06599	3.8
111.00903	2.1
111.08115	1.4
112.98807	11.5
115.00346	2.8
117.01933	3.6
121.06621	3.1
123.08125	2.1
125.02466	5.9
125.06112	1.4
137.02403	1.9
137.06088	4.2
139.07651	2.7
142.99869	3.7
149.06081	3.3
153.05574	9.4
167.07143	3.2
173.00902	2.3
174.01692	100.0
175.02171	4.3
185.06113	1.7
193.05133	1.7
211.06120	1.8
213.05592	6.2
241.05109	14.7
242.07042	1.8
256.07391	10.0
271.07944	2.5
271.10437	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23230	0.6
57.03438	1.5
59.77235	0.6
63.02400	11.8
65.00322	17.2
83.01389	14.6
83.05023	0.8
87.08082	0.6
93.03456	14.1
98.19898	1.1
99.00919	0.7
99.04560	0.9
107.01392	25.6
108.02232	3.3
109.02975	1.0
119.05024	81.7
120.05363	2.9
121.02931	0.7
125.02451	7.3
137.02415	1.0
145.02974	2.2
151.00368	75.4
152.00693	1.1
161.06113	1.9
165.01936	4.2
165.05573	1.5
169.01445	2.1
177.00465	1.2
177.01903	10.5
178.62833	0.6
180.57071	0.6
185.06036	1.7
185.13371	1.1
187.03998	3.3
201.34360	0.6
209.15543	2.4
211.14822	3.0
213.05589	2.4
223.39162	0.6
227.07124	1.5
227.16562	1.2
229.04988	0.7
229.15956	2.8
235.13374	4.3
238.13611	4.5
241.05083	2.1
253.05020	1.0
253.14336	3.7
253.16225	2.9
256.07336	3.0
271.06116	100.0
271.15341	8.4
271.22955	0.8
272.06464	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.03448	12.8
57.65276	0.5
59.01381	1.1
71.01375	0.8
71.52621	0.7
81.03455	2.9
83.01381	3.5
93.03488	0.7
94.14896	0.5
96.96052	0.6
107.01408	0.8
108.02157	2.5
109.02927	3.4
111.00890	1.4
117.03442	1.1
121.02976	0.9
124.01659	0.6
125.02444	100.0
126.02811	1.8
131.05019	1.2
133.02998	1.2
135.04514	2.5
143.05002	0.8
145.02950	26.6
146.03775	4.2
149.02446	4.2
151.00336	0.7
156.02913	0.6
157.06613	1.7
158.03804	0.7
159.04506	11.7
160.05157	0.5
161.02443	1.3
161.06068	8.6
162.06363	0.7
167.05122	0.6
170.03732	1.0
174.12822	1.6
175.04010	0.5
181.06615	0.8
183.04501	3.6
184.05185	0.8
185.02405	0.7
185.06059	7.1
187.03998	9.2
187.05602	0.8
199.03967	0.9
199.07649	0.6
201.05542	3.6
203.07169	5.0
209.06039	2.3
211.02225	0.6
211.04033	1.4
211.13422	0.9
213.01758	0.6
213.05588	1.5
225.05606	1.2
227.03484	1.2
227.07143	5.1
228.04231	0.8
229.04961	2.1
230.02147	1.3
235.04010	0.7
241.05096	1.6
253.05000	7.8
253.14520	1.0
256.03748	1.5
256.07370	2.1
271.06116	41.5
271.15530	2.5
272.06482	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	4.8
59.01355	2.7
60.87467	2.6
67.49326	2.4
70.94701	6.0
71.01389	4.4
74.02475	11.5
77.80047	2.3
86.02469	6.0
87.05646	4.3
88.04021	2.6
97.04078	2.5
99.00877	8.4
99.05650	12.8
102.05517	2.8
108.02177	4.8
109.02959	6.0
109.06609	5.6
112.98824	9.6
115.00346	2.4
122.25903	2.5
125.02437	9.4
128.03551	33.2
137.06134	3.9
139.07642	3.2
143.04620	56.2
146.04558	3.8
153.05573	7.9
161.02490	2.8
166.09810	3.6
174.01686	100.0
179.04651	4.7
193.05066	5.0
201.05597	3.2
203.07115	3.3
210.08789	6.8
254.07802	6.4
258.42377	2.9
271.06064	18.4
271.08337	3.7
271.10867	2.6
272.08746	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	267.1236
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.96235	0.8
53.72670	0.6
53.86065	0.9
57.03445	2.7
58.46982	0.8
59.01378	100.0
60.01714	1.1
60.16370	0.7
64.24220	0.7
71.00095	1.7
71.05030	2.6
79.95736	9.4
80.96523	2.0
83.05042	2.0
85.39213	0.6
87.00887	2.8
93.04968	0.7
96.96010	1.7
108.96046	0.9
111.88638	0.7
120.99674	1.2
140.93262	3.5
142.07468	0.8
161.13376	2.7
163.11285	2.3
177.09251	1.5
198.06873	0.7
207.10341	2.3
223.13402	44.6
224.13737	2.8
236.09624	9.3
249.11259	0.8
267.09067	1.0
267.12460	4.8
267.16003	2.0
268.06805	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	267.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61127	0.6
57.03462	0.9
59.01373	3.0
60.81042	0.7
71.01376	1.1
73.02939	0.7
83.01382	0.9
98.19828	1.4
101.02426	1.3
121.02951	1.7
133.98463	0.7
195.81465	0.6
205.15958	13.0
223.17026	100.0
224.17299	5.1
229.87411	0.7
231.13918	1.2
249.14992	7.4
257.33618	0.8
267.11130	3.6
267.15988	45.3
268.16281	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	269.0451
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.87027	0.2
59.01365	0.3
63.02394	3.3
65.00323	8.0
69.50551	1.0
69.87740	0.2
74.46354	0.2
83.01393	2.5
89.63714	0.2
93.03450	0.4
95.05027	0.2
101.60655	0.2
105.03457	0.4
107.01393	9.0
117.03463	14.4
118.03802	0.7
119.01498	0.2
119.05015	0.7
121.02973	0.5
123.04499	0.4
130.04271	0.2
131.04977	0.5
132.02136	0.2
133.02940	2.1
135.00856	0.5
135.04471	0.2
138.23274	0.2
141.03485	0.4
143.05014	0.5
145.02933	0.4
149.02438	2.0
151.00356	12.7
152.00691	0.2
154.04245	0.4
155.05035	1.5
157.06537	0.2
159.04515	1.5
161.02422	0.7
167.04991	0.4
168.05807	0.2
169.06578	2.3
169.35655	0.2
171.04527	0.6
173.06047	0.6
176.01144	0.5
180.05798	1.6
181.06570	2.0
181.12363	0.2
181.75670	0.2
182.03671	0.6
183.04466	1.5
185.02434	0.3
185.06007	0.2
195.04489	0.6
196.05301	2.0
197.06064	3.1
199.04033	1.0
201.05527	0.5
213.05647	0.5
223.04182	0.2
224.04829	0.8
225.05515	6.9
226.05891	0.3
227.03456	0.9
228.09998	0.2
240.04253	0.3
241.05025	0.9
255.06648	0.2
268.03769	0.2
269.04532	100.0
269.21164	0.5
270.04865	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42771	0.5
52.51060	0.5
57.03448	4.5
59.01357	0.8
69.37101	3.7
69.70783	0.5
71.01368	1.2
71.05021	3.2
72.02165	2.0
73.55248	0.5
81.53442	0.5
85.02944	2.3
85.06590	0.9
87.04512	100.0
88.04855	1.7
94.03271	0.5
97.06593	0.5
99.04518	4.8
117.58372	0.6
121.01397	0.6
122.80650	0.6
125.09676	0.6
137.09715	1.6
138.02025	0.6
143.10669	0.5
163.11324	0.7
181.12325	0.8
183.11002	0.6
189.16464	1.4
191.14441	0.6
207.17514	6.0
209.15450	1.5
225.05589	0.8
225.14865	0.8
225.18655	0.9
269.04706	3.1
269.17566	47.0
269.24805	1.4
270.17804	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	267.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
65.87791	0.4
71.01383	0.5
71.50588	0.5
72.99306	1.1
73.02930	0.8
78.95905	45.4
80.27775	0.5
87.00878	2.1
87.89912	0.5
89.94724	0.5
91.05535	3.7
96.96963	100.0
101.02428	0.5
103.00393	0.8
105.01937	16.3
112.98811	1.7
113.02387	0.6
121.02926	0.8
133.02943	1.0
135.04512	5.7
149.00908	2.6
156.13345	0.5
161.02451	5.6
163.03969	1.4
168.12407	0.5
179.03517	1.1
187.65448	0.4
195.06627	2.2
223.06148	0.9
225.68434	0.5
267.04956	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	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.18996	1.1
52.93296	1.0
55.01880	1.7
55.61812	1.0
57.03442	4.4
59.01376	31.1
66.63797	1.2
68.99817	1.3
70.81473	1.1
70.84921	1.7
70.85254	2.0
71.01376	42.4
72.99312	5.8
75.00869	18.3
78.95920	5.8
83.01376	1.5
85.02947	35.9
87.00871	21.5
89.02447	14.7
95.01354	5.8
99.00887	8.3
101.02422	3.8
103.00378	3.1
105.01927	2.8
106.31548	1.0
113.02447	43.8
115.00381	1.8
117.01903	2.4
125.72984	1.1
129.01924	2.7
131.03496	1.2
136.95027	1.4
139.82445	1.1
147.62300	1.3
169.98611	1.5
175.02420	2.2
192.95662	1.0
206.95470	5.5
222.49144	1.1
248.98222	1.7
249.06168	4.5
249.97995	1.8
267.07199	100.0
268.03174	1.6
268.07501	5.0
268.55099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84219	0.7
56.30587	0.8
57.14384	0.7
57.38806	0.6
59.01366	1.9
69.18368	3.3
69.18789	3.5
71.01382	10.3
71.97400	0.7
88.04041	100.0
89.04391	0.8
104.03526	5.8
107.05018	2.1
114.01976	6.0
115.00370	17.7
123.04514	3.0
130.01439	3.9
132.03030	98.2
133.02921	6.1
135.04532	5.8
148.76274	0.7
150.05632	3.7
151.03992	9.1
161.02435	6.0
204.10281	1.1
207.04108	1.2
222.07707	3.8
248.05765	1.9
248.12756	1.0
266.06689	29.4
267.06918	1.1
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
59.01366	2.0
63.53732	0.6
69.56543	3.8
71.01380	8.3
87.00865	0.6
88.04043	100.0
89.04391	0.9
98.20615	1.4
104.03550	2.5
104.73879	0.7
105.01919	1.2
107.05034	2.3
114.01981	5.2
115.00381	18.0
121.02969	0.9
123.04535	2.7
130.01459	0.9
132.03029	99.9
133.02914	5.3
135.04488	3.1
150.05609	5.3
151.04013	8.6
161.02402	1.4
173.32002	0.6
195.06604	0.7
222.07649	4.5
248.05626	1.3
266.06674	25.8
267.07196	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54417	1.8
57.13010	1.7
59.01376	79.0
64.00092	1.6
66.29986	1.7
69.43269	10.8
70.76933	2.1
71.01366	5.5
72.99295	6.0
73.82784	1.7
77.08263	1.8
78.95894	10.5
80.96532	2.1
85.02975	2.5
87.00878	4.0
96.95994	7.1
96.96953	21.7
98.20609	4.2
105.01937	59.5
106.02270	2.0
108.02151	14.3
119.05023	10.1
121.02956	13.2
123.00901	2.5
123.04523	8.2
124.01618	3.3
125.02494	2.6
132.03090	2.3
133.02959	6.7
133.06549	2.4
134.03755	2.8
135.04520	47.0
136.01633	7.7
136.05316	14.7
137.02412	6.0
147.04471	4.0
149.02492	2.0
149.06067	3.4
150.03177	5.5
151.03990	15.3
151.07639	12.7
152.01167	3.7
152.23380	2.1
153.01895	5.2
161.02396	22.4
161.06070	6.6
162.03217	2.4
163.04001	88.7
164.04785	10.3
165.01869	3.9
177.05539	3.0
178.02719	2.4
179.03477	17.4
179.07118	4.0
190.02754	2.8
195.06616	100.0
196.06891	3.9
205.01410	2.0
205.05003	5.4
207.02939	3.3
208.03728	4.9
223.06104	57.6
224.06508	4.0
236.36513	2.2
237.04021	2.4
267.04987	21.8
267.09164	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	267.0622
Annotation	Portulacaxanthin III
Peak:m/z	Relative Intensity
55.64888	0.4
59.01384	1.4
60.28842	0.5
61.51723	0.5
64.60188	0.4
66.03493	0.5
68.99824	2.2
70.98432	1.3
87.00901	0.9
88.04064	0.9
89.04404	0.5
91.05524	0.8
96.04573	0.7
96.99324	1.9
105.01945	1.2
108.04558	12.0
108.05258	0.9
109.04085	1.2
110.02511	1.1
113.02422	0.6
120.03293	4.2
121.04086	10.7
123.05647	6.4
124.04048	0.5
132.03030	1.0
133.04128	1.2
134.02284	0.5
135.04639	0.9
135.05640	6.5
138.00699	0.5
148.02696	1.1
149.00873	0.6
149.03557	4.0
149.06036	0.7
151.05066	2.2
153.83531	0.4
161.02379	0.6
161.06062	0.7
176.06557	0.5
179.04655	1.0
181.85400	0.4
200.16232	0.5
205.10579	0.8
207.04097	100.0
208.04440	4.1
249.13190	0.7
267.06198	58.6
268.06540	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.7
57.03444	6.0
58.00598	2.9
59.01379	57.1
71.01380	100.0
71.27968	1.6
71.49992	2.3
72.99308	4.0
73.02945	31.6
75.00877	2.2
79.95740	2.3
83.01373	12.2
85.02949	38.1
87.00871	3.6
88.04026	12.0
89.02447	16.4
91.27766	1.8
95.01398	8.7
96.96014	3.1
97.02960	2.5
99.00877	14.1
101.02441	76.6
101.06088	3.8
104.03536	11.4
108.62079	1.7
113.02446	39.7
113.06141	1.6
115.00381	4.5
119.03477	3.4
119.05085	2.0
123.04472	2.2
125.02470	2.8
127.05163	1.8
129.01956	3.7
130.01442	7.5
132.03023	14.9
133.02957	6.2
134.03746	4.7
135.04539	15.6
137.02457	4.0
143.03571	2.9
149.06044	2.5
150.05579	3.8
159.02988	8.7
159.04366	2.6
161.02519	9.3
161.04543	36.1
164.10202	1.8
174.05670	1.8
175.06384	10.8
177.01845	3.2
178.02704	2.0
179.07068	2.8
182.06424	1.7
193.05057	5.6
203.03560	6.0
204.10229	9.9
208.58586	1.8
221.04515	3.4
221.08064	4.2
221.90961	4.5
248.12936	7.9
264.85019	1.7
264.91510	6.7
265.03833	1.8
265.07092	8.9
265.12894	18.1
266.06683	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	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01374	10.8
69.03457	2.7
71.01387	3.6
78.95920	10.2
96.96011	5.9
140.33551	1.8
149.09761	3.4
151.11197	2.3
159.08295	1.5
167.10770	41.5
168.11143	1.7
186.96622	1.5
195.10223	10.6
203.18071	2.9
247.17036	16.5
265.14926	6.7
265.18069	100.0
266.18253	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	265.0716
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
57.03432	2.5
59.01384	3.3
71.01400	4.0
71.50839	4.0
72.99305	5.0
79.95762	3.8
81.02573	2.6
85.02945	17.4
91.05535	20.2
94.23244	2.7
96.49185	2.8
96.96015	100.0
97.16859	2.5
111.00883	3.8
123.00868	9.1
124.01650	8.5
129.01926	10.6
135.04541	31.6
139.05647	3.3
147.03021	24.7
149.02411	3.3
159.85051	2.6
161.06015	4.6
162.06857	20.7
163.03995	3.5
164.01152	32.8
164.04741	6.4
165.05489	4.7
167.07199	2.9
168.00652	7.3
177.09222	8.4
193.04907	4.3
193.08653	7.3
206.05878	18.2
221.08173	50.7
222.08603	3.5
265.07318	48.2
265.10474	4.2
265.14502	4.6
266.07407	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80040	0.6
55.01876	0.6
57.03452	4.1
58.00581	2.0
59.01379	39.6
60.01704	0.6
61.98825	1.2
71.01382	23.5
71.49350	0.8
72.99319	3.7
73.02971	1.4
78.95909	0.9
80.96512	1.1
81.27316	0.6
83.01376	1.5
85.02450	1.4
85.02950	21.4
87.00883	2.1
88.04043	18.3
89.02441	22.8
94.95774	0.6
95.01371	1.6
95.01962	0.6
96.95966	0.9
99.00878	0.8
99.04489	0.7
101.02436	14.1
101.03094	0.8
101.06090	0.7
103.04010	33.1
104.03546	0.7
107.05038	0.8
111.04520	1.0
113.02457	8.0
114.01942	1.5
115.00355	3.9
119.03508	9.2
121.02954	0.8
123.04523	2.1
131.03465	1.0
132.02092	1.2
132.03032	18.3
133.02953	0.8
133.05051	1.0
134.03706	1.6
135.04575	1.2
135.55550	0.6
136.93959	0.7
143.03506	1.0
145.05063	1.5
150.05600	1.4
151.03986	1.5
161.02420	0.7
164.16754	0.8
176.00493	1.0
177.05653	0.7
178.02702	1.0
186.83089	0.6
193.05049	1.1
196.05865	0.6
198.94089	0.6
221.04437	0.7
221.70087	0.6
247.08238	2.0
265.09277	100.0
266.06668	6.1
266.09610	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.1
69.41070	22.9
71.01379	5.8
72.99283	14.3
73.02948	3.8
73.50159	3.7
85.02948	63.5
91.05529	88.5
92.05860	3.2
94.94302	3.1
96.96028	8.1
101.02408	4.3
107.03734	3.3
109.01998	3.1
111.00877	9.0
114.01949	15.6
115.02309	8.8
124.07639	5.6
129.01933	23.2
134.06071	3.9
135.04523	98.6
135.06541	4.7
147.02983	100.0
164.01112	6.1
165.09119	4.8
169.01389	4.0
205.60777	3.5
206.44539	4.0
221.08177	7.2
265.07196	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	265.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	10.8
69.56366	7.7
69.56705	32.7
72.99312	12.9
85.02944	58.9
91.05534	100.0
95.01390	5.7
96.96008	32.8
106.59054	4.7
111.00879	5.4
111.69222	4.5
118.14954	4.5
129.01915	20.5
135.04515	98.4
137.55876	4.3
147.03001	99.3
164.01109	11.5
168.00648	5.5
178.39143	5.7
213.40459	5.4
220.21846	4.5
221.08142	13.2
246.95500	5.1
255.77042	6.3
265.07208	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79496	1.0
70.02975	16.0
70.43380	3.1
70.43739	1.1
71.01370	3.9
91.05540	5.7
96.32452	1.1
96.99306	6.0
98.19935	1.0
101.66464	1.1
101.87225	1.0
111.15659	1.0
114.01961	100.0
115.02284	2.1
117.03455	5.9
129.01958	2.0
134.06104	26.0
135.06480	1.1
143.49236	0.9
146.04561	3.8
146.06067	2.9
160.07646	2.9
174.35265	0.9
188.07169	5.5
232.06114	10.1
234.32608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05490	0.5
55.22643	0.5
59.01365	0.4
60.32870	0.4
63.10770	0.5
69.92246	1.4
69.92634	0.7
74.02486	0.5
79.13130	0.4
84.04539	1.1
85.02940	0.6
86.99928	0.4
91.05541	2.7
102.05608	63.8
103.05947	1.1
112.22245	0.4
128.03539	58.3
129.03888	1.2
135.04501	3.7
137.05829	0.4
146.04588	100.0
147.04991	1.8
209.24915	0.6
220.09770	1.3
246.07689	1.4
264.08755	14.5
265.09036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19334	0.4
54.72045	0.4
54.85590	0.4
58.11129	0.5
59.01366	0.5
69.24536	2.9
69.24955	1.2
74.02458	0.6
80.89842	0.4
91.05545	2.9
98.19937	0.9
102.05608	64.1
103.05955	1.2
109.77425	0.5
110.43011	0.4
128.03542	56.6
129.03827	1.1
135.04503	3.2
146.04591	100.0
147.04906	1.6
181.60266	0.5
201.78064	0.4
220.09764	1.2
246.07697	1.4
264.08743	15.7
265.09064	1.0
276.93317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
63.03165	0.6
70.21777	0.5
70.69086	1.5
71.01379	1.1
83.01853	0.5
84.72511	0.5
85.02951	1.3
87.00898	1.0
87.68587	0.5
88.04027	0.8
93.03469	1.1
96.96008	1.3
101.02478	0.7
106.04250	1.6
115.14590	0.5
121.02915	2.8
132.02989	1.7
133.02963	5.6
134.03740	100.0
135.04013	2.7
137.02444	14.6
139.04018	5.0
149.02426	1.8
149.06087	23.9
150.03185	1.7
161.02426	1.9
161.04480	0.8
162.03217	7.1
163.03951	1.0
165.01935	3.2
177.01871	1.1
177.05568	3.9
178.02705	50.5
179.03079	1.9
189.05573	1.1
193.05045	73.3
194.05368	3.0
203.03418	0.7
206.00259	1.1
206.02203	19.9
207.02531	0.9
221.04546	17.4
222.04800	1.1
232.03763	0.7
247.06052	0.7
247.43854	0.5
265.03464	4.5
265.07339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
54.35500	2.8
57.03432	4.3
59.01374	8.7
59.05617	2.2
69.57123	4.8
69.57533	9.3
71.01399	10.9
77.36829	1.9
80.82532	2.0
83.05013	6.3
84.50075	2.5
89.49899	1.9
93.07040	2.2
95.04989	3.7
96.96005	9.0
97.02969	14.8
107.05013	4.1
108.05800	6.2
109.02933	9.0
109.06545	3.3
111.04507	14.7
113.06101	9.5
119.05062	2.8
119.08662	4.4
121.06592	4.7
122.03724	17.9
123.08144	8.7
124.05252	2.9
125.06091	18.4
135.04504	2.5
135.08153	4.3
136.05304	19.1
137.06003	7.1
138.06877	17.6
139.07654	36.8
143.08725	2.5
148.05348	10.4
149.06009	4.3
151.07652	74.1
152.04750	7.4
152.08438	38.2
153.09273	11.8
159.11792	4.7
161.09677	9.0
162.06824	2.2
163.07652	15.7
167.07149	4.8
175.07549	2.8
185.09694	4.6
188.08453	4.1
189.09177	9.8
192.88533	2.4
201.12846	37.7
202.13184	2.8
203.10747	26.7
204.11540	66.5
205.11888	4.2
219.10309	4.6
219.13895	100.0
220.14223	4.9
263.09299	6.1
263.12927	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	261.088
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
50.95634	0.6
56.77176	0.6
57.14454	0.6
59.01376	3.4
60.32835	0.6
70.02979	10.2
70.49923	1.7
70.50267	0.6
72.04555	5.3
74.02473	100.0
75.02824	1.1
88.58577	0.6
98.02477	24.6
98.20019	0.8
116.03540	51.8
128.03540	6.8
132.04556	33.1
135.61855	0.6
144.04549	7.1
173.07217	0.8
175.08739	0.8
201.06731	12.1
202.07159	0.8
217.09850	1.0
219.07759	2.9
243.07603	0.7
261.08792	21.9
262.09079	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	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10162	1.8
57.03445	3.9
62.30920	1.6
69.03454	4.8
70.02982	8.9
71.01391	5.1
71.49182	2.2
72.99300	5.8
79.73667	2.0
82.03021	1.7
83.01355	2.5
85.02948	68.2
86.02486	1.7
87.04522	7.0
94.02974	2.0
96.00932	2.3
96.04553	100.0
97.02940	7.9
98.02464	4.1
99.00891	6.0
111.04518	3.1
112.04018	4.1
114.02014	2.5
115.03974	3.0
126.05633	3.0
128.03528	5.7
129.01929	15.7
138.05643	2.5
139.04053	2.3
140.03543	4.1
141.01921	5.5
142.01460	46.3
144.02943	2.5
158.04565	16.0
159.03067	4.8
172.02544	7.1
185.99123	1.7
201.04076	1.8
202.03555	6.4
262.00275	2.0
262.05536	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	263.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20382	0.5
59.01371	0.8
61.98813	0.4
71.05024	0.6
71.51594	0.5
79.95724	4.7
83.01392	1.1
85.02950	0.7
92.74600	0.5
96.95961	0.8
98.63794	0.5
121.06599	0.6
123.04491	0.7
134.70447	0.5
137.06064	1.4
161.69160	0.5
163.07652	0.6
166.02768	0.6
169.06560	2.8
187.03882	0.7
190.99864	0.9
191.03349	0.9
199.11292	5.8
219.10170	0.8
220.00159	4.7
233.02762	35.0
234.03506	9.3
235.03928	0.5
263.07416	100.0
264.07736	7.3
266.02515	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	263.1135
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
52.43761	1.2
55.01878	7.4
57.03452	4.9
58.00593	2.8
59.01381	70.1
62.18620	1.2
63.53148	1.3
69.03475	2.0
69.64934	1.2
71.01383	100.0
71.06579	2.4
71.06915	1.7
72.99310	3.4
73.02953	27.3
74.02459	1.5
75.00878	2.4
83.01388	12.1
85.02952	45.6
87.00874	3.5
89.02448	29.4
95.01392	8.7
97.02950	1.6
97.39783	1.2
99.00872	12.0
101.02444	74.1
101.06048	1.5
113.02452	43.1
119.03499	11.5
128.26089	1.3
129.01938	1.6
143.03511	4.3
159.02977	8.9
160.73425	1.4
161.03252	2.6
161.04561	42.4
176.03549	2.2
201.11339	1.7
203.09209	1.3
230.67751	1.4
263.11368	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
57.03429	0.9
57.22792	0.9
59.01372	4.5
70.27635	1.8
70.28033	2.2
72.00908	10.0
78.95910	1.7
79.88361	0.8
80.13461	0.9
83.05054	1.1
86.02479	54.2
92.05063	55.0
115.04000	1.7
116.05067	59.5
117.05383	1.6
129.05792	2.9
130.06610	1.1
133.02888	0.9
135.04520	3.2
142.06628	22.3
143.06076	1.5
143.07079	1.2
144.08209	6.9
154.06621	4.0
156.06903	6.5
167.06107	1.4
169.07693	11.1
170.62839	0.9
171.09276	57.7
171.15359	1.1
172.09581	2.2
179.03471	3.2
179.10756	1.2
197.11816	2.7
215.08252	100.0
216.08640	4.6
227.77376	0.8
241.10742	1.7
259.02454	1.0
259.07285	15.9
259.11716	10.1
260.11710	1.1
268.77286	1.1
281.92215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.5
59.42395	0.6
61.20978	0.6
69.35067	4.7
78.80992	0.5
81.99796	0.7
125.09682	0.8
127.11310	1.1
137.02516	0.6
137.09714	7.2
153.09125	0.8
155.10779	100.0
156.11069	3.6
168.51741	0.6
171.10271	23.0
181.08641	1.3
197.11861	1.4
199.09758	28.9
199.11626	1.5
200.10129	1.4
209.41623	0.7
215.07101	0.9
215.12877	3.1
217.10799	84.1
218.11089	3.0
259.02542	2.4
259.06055	2.7
259.09326	0.9
259.11862	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	259.0609
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
57.03442	3.6
58.20562	0.5
58.31436	0.5
59.01371	1.7
61.33016	0.5
65.03968	0.7
67.01879	0.7
69.03456	0.9
71.51257	0.6
78.95928	0.6
81.03442	1.6
83.01386	7.7
83.05038	0.7
89.72805	0.5
93.03430	4.6
95.01405	0.8
96.02214	0.6
96.96995	0.5
97.02926	0.7
107.05029	1.0
108.02174	4.2
109.02952	20.0
111.00882	2.6
119.05022	4.9
121.02949	22.8
122.03789	1.4
123.04539	0.7
124.01659	24.9
124.36052	0.6
125.02446	43.7
126.02786	0.7
129.03467	0.8
129.07204	0.5
130.04245	1.5
131.04997	1.5
134.03743	1.5
135.04546	2.9
137.02441	51.2
138.02757	1.6
143.05058	1.1
144.05827	0.8
145.02939	1.9
145.06633	3.2
146.03714	2.0
147.04520	18.3
148.05322	7.3
149.02440	7.1
149.06091	7.7
150.03223	23.5
151.04033	3.4
155.04950	0.8
157.02896	1.1
158.03737	3.2
159.04523	2.0
161.02432	4.3
161.06047	4.4
163.03983	2.9
169.06628	1.1
171.04543	2.4
172.05307	9.7
173.02405	2.3
173.06061	22.8
174.03224	9.8
174.06406	1.0
175.03992	71.0
176.04358	2.7
185.06100	1.1
187.03996	2.0
187.07613	2.0
188.04820	1.4
189.05565	26.9
190.05905	1.6
191.07133	16.4
195.10251	1.8
197.06030	2.5
197.11856	1.1
199.04001	2.2
200.04666	1.0
201.01942	4.4
204.04222	1.3
213.05531	2.9
214.06018	0.7
215.03636	1.2
215.07085	14.7
216.04269	2.2
216.07379	0.7
217.05038	17.0
217.10803	0.7
218.05365	0.8
229.04948	0.6
231.06567	2.6
241.05040	6.1
241.11063	0.5
242.05733	1.5
259.06088	100.0
259.11740	7.0
260.06430	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	256.1917
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
72.04549	0.6
74.02473	100.0
75.02814	0.8
84.04546	1.2
98.19831	0.4
109.27106	0.2
117.42115	0.2
130.29420	0.3
155.10144	0.2
193.00577	0.3
210.18683	0.4
212.20198	4.0
213.20375	0.3
256.19177	37.0
256.23267	5.3
257.17242	0.6
257.19577	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	259.0223
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
59.01377	2.5
63.24477	0.5
64.89137	0.5
67.91394	0.5
71.01414	0.9
71.19289	0.5
71.19603	0.7
73.02937	0.9
74.02461	0.8
78.95899	100.0
81.03462	1.0
83.01389	0.7
83.05032	1.2
85.02911	0.5
87.05633	0.7
96.00895	0.6
96.96956	88.2
98.46941	0.5
99.00864	2.0
101.02473	0.7
102.49051	0.5
107.05018	0.5
109.06593	3.5
111.04513	3.7
125.06076	2.9
127.04012	6.3
127.07645	8.3
138.98004	6.0
143.07069	0.5
153.05569	1.7
155.03503	5.0
168.98975	2.5
170.87386	0.6
171.06618	1.6
174.46321	0.6
186.99065	0.6
187.11685	0.5
197.04523	2.3
198.90599	1.1
199.00212	2.5
199.02435	2.0
214.93652	0.8
215.05580	0.7
216.90508	1.3
231.05090	3.4
240.91652	1.5
241.01122	1.6
241.03595	4.0
258.92410	1.9
259.02170	16.5
259.04623	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	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
67.81868	2.3
69.76862	11.4
80.55460	2.1
85.02980	2.8
97.02939	2.4
98.93864	2.4
102.04335	1.9
136.83862	2.2
161.04552	9.9
193.07124	19.3
232.50163	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	255.051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	6.0
59.01384	10.4
61.01767	1.3
70.02969	2.1
70.18108	4.9
70.97822	1.1
71.01407	1.7
72.99306	63.7
74.45699	1.1
75.00874	3.7
87.00871	2.7
93.03463	15.0
96.00903	1.4
96.04555	1.3
96.96004	2.2
98.02438	1.5
99.00912	6.7
105.07092	1.6
106.04251	2.6
107.05033	17.3
108.02157	2.7
109.02965	1.9
111.04476	1.7
114.05582	2.6
119.05015	4.8
121.02930	5.9
123.04494	3.3
123.08124	1.3
125.02453	1.6
130.03357	1.4
131.05057	2.6
133.02953	11.9
135.04527	7.1
138.06902	1.5
140.03532	1.3
147.04539	6.0
148.01659	1.7
149.06056	13.2
153.09224	1.9
158.04575	6.8
163.03999	6.0
165.05565	100.0
166.05867	4.6
167.03464	1.9
167.07074	2.1
175.03976	1.5
179.03494	31.9
181.05058	3.3
193.05052	26.5
209.04486	1.6
211.06148	4.5
225.04115	2.1
255.05096	76.2
255.09023	3.1
255.23294	96.7
256.05530	3.6
256.23587	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	255.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23901	0.5
57.76475	0.5
58.34440	0.5
59.86266	0.5
61.66219	0.4
64.90362	0.5
70.61658	1.1
70.62045	0.6
73.04077	0.5
80.62384	0.5
83.82227	0.5
84.91069	0.5
93.64657	0.4
98.20002	0.5
137.84596	0.6
153.09248	0.7
178.00769	0.5
193.15965	25.1
194.16304	1.6
209.15474	1.0
211.17027	100.0
212.17387	6.0
230.29684	0.5
236.91911	0.5
237.14946	2.8
255.16011	28.1
255.23248	7.7
256.16306	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	251.056
Annotation	MONO(3-CARBOXYPROPYL) PHTHALATE
Peak:m/z	Relative Intensity
51.48116	0.5
52.02920	0.5
53.23739	0.5
57.97557	0.5
65.11903	0.5
69.41028	3.3
69.41455	1.1
74.14238	0.5
76.53129	0.5
83.84733	0.5
85.02952	12.9
88.04057	0.8
121.02954	100.0
122.03329	3.3
129.01942	3.3
129.77379	0.5
132.02997	0.8
144.10866	0.5
166.87419	0.5
251.14754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.2
70.02981	0.8
70.55286	1.2
70.79926	0.3
71.01379	6.3
72.77670	0.4
74.86386	0.4
82.03313	0.4
88.04040	81.5
89.04366	0.9
91.05533	3.3
102.63950	0.4
114.01962	4.9
115.00373	14.5
117.03457	0.6
125.23679	0.4
132.03027	100.0
133.03368	1.6
134.06123	1.0
135.04521	3.8
206.08278	1.7
232.06055	0.6
250.07184	19.4
251.07576	1.8
273.48792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
66.49954	0.5
70.02985	0.9
70.86857	1.1
70.87179	0.6
71.01373	6.2
72.00923	0.6
80.76762	0.5
88.04039	84.4
89.04377	1.1
91.05523	3.4
102.26127	0.6
114.01958	5.4
115.00378	14.1
116.00668	0.5
116.64053	0.5
132.03026	100.0
133.03351	1.3
134.06152	1.3
135.04514	4.4
176.11237	0.5
186.42165	0.5
206.08232	2.2
232.06088	0.7
250.07185	21.2
251.07619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44111	1.0
72.72163	1.1
73.42300	1.1
74.13694	1.1
77.36960	1.0
85.49332	1.1
88.04047	3.3
99.04504	1.5
127.07641	9.9
127.18602	1.2
132.03027	4.6
133.10205	1.8
144.90485	1.2
149.09677	1.2
151.11292	1.4
154.97466	1.4
167.06955	1.7
177.02011	1.2
179.10747	3.1
181.12340	31.0
182.12640	1.3
189.05281	2.0
192.99678	1.2
194.08696	1.2
197.11838	2.7
199.07423	2.1
201.08916	4.7
203.10527	14.6
205.08560	1.5
205.12144	3.7
205.16071	1.6
217.08417	4.9
219.10045	10.3
221.11565	4.7
223.13139	100.0
224.13516	3.9
233.07944	12.0
235.09476	26.6
236.09818	1.5
237.11058	56.7
238.11452	2.0
244.90897	1.6
247.24023	1.2
249.11072	95.4
249.15179	3.2
250.11443	5.6
250.14493	7.5
265.10559	7.4
267.12100	87.1
268.12524	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	249.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80714	1.5
65.03954	2.6
69.03449	4.0
69.67162	5.5
72.99306	25.4
73.02938	8.7
75.00876	1.7
78.51598	1.2
81.03460	14.1
83.01373	8.0
83.05014	12.8
85.02940	2.5
93.03457	11.4
97.02953	28.0
108.02171	4.9
109.02945	41.1
111.04517	38.6
111.07594	1.3
111.36728	1.2
113.02385	1.3
115.04035	2.4
125.02441	3.0
125.06048	3.3
127.04012	25.9
129.05589	1.6
137.02412	4.1
141.05547	10.1
155.03503	37.5
159.02960	2.2
160.65504	1.3
169.05003	7.0
185.04556	42.2
186.04906	1.8
187.06091	19.5
199.02486	28.1
203.05589	13.1
213.03883	1.3
217.03589	6.3
231.05083	100.0
232.05391	4.3
239.99658	1.3
249.06198	7.2
249.09782	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01377	1.2
65.03958	2.5
67.01883	0.7
67.05528	1.1
69.03448	3.1
69.62176	3.3
71.01372	3.1
72.99309	26.2
73.02943	11.2
79.94462	0.5
81.03457	19.3
81.32958	0.5
83.01385	7.1
83.05028	13.6
85.02968	2.6
88.04033	13.0
91.05531	0.7
91.63626	0.5
93.03458	11.8
97.02950	29.3
98.03283	0.7
101.02457	1.1
108.02165	5.6
109.02953	40.0
111.04520	36.7
112.04837	0.9
113.02445	0.8
115.00362	1.8
115.03992	2.6
123.04528	0.6
125.02432	2.1
125.06080	4.0
127.00354	0.7
127.04008	23.4
129.05609	1.1
132.03032	15.3
135.04544	1.0
137.02446	4.0
141.05583	8.8
144.04547	0.9
147.04527	0.7
153.01933	1.3
155.03497	37.4
156.03860	1.3
157.04996	1.6
159.02969	3.0
161.02437	0.5
161.61311	0.5
163.04034	0.9
169.05051	8.5
171.02953	2.7
185.04546	41.7
186.04922	2.0
187.06097	24.3
188.06372	0.9
190.05069	1.0
191.03526	3.7
199.02475	25.6
200.02859	1.4
203.05585	13.0
205.04979	0.8
213.03874	0.6
217.03487	5.6
231.05074	100.0
232.05394	4.0
249.05759	5.2
250.07169	2.5
250.14439	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	249.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18325	0.8
58.02971	6.6
59.01368	1.2
71.01382	3.8
71.24933	1.2
72.99313	1.5
73.02953	0.8
88.04044	46.1
91.05521	2.6
92.05044	4.6
97.02952	2.1
98.08607	0.8
109.02954	2.0
111.04504	2.9
114.01976	3.6
115.00365	10.5
116.05061	3.2
116.46460	1.0
118.06634	17.1
128.05072	19.0
128.62804	0.7
131.03778	14.0
132.03032	58.8
134.06090	0.9
135.04532	3.1
144.04555	100.0
145.04872	2.6
146.06126	45.4
147.06482	1.3
155.03481	2.0
156.74240	0.8
167.78888	0.9
172.04082	10.1
173.04492	1.4
185.04539	2.9
190.05096	68.1
191.05403	3.0
199.02522	1.9
205.61504	0.8
206.08307	1.2
208.13602	0.9
231.05045	5.2
249.08829	2.0
250.07178	8.5
256.17993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36775	1.4
65.03954	1.8
69.03452	3.5
70.85166	3.6
72.99309	30.3
73.02946	8.3
81.03454	18.0
83.01394	7.7
83.05028	13.6
85.02950	2.9
93.03452	12.2
97.02946	29.3
108.02190	6.6
109.02956	43.3
111.04519	32.9
113.02496	1.9
115.04035	2.2
124.66049	1.4
125.02444	3.0
125.06084	4.8
127.04020	27.0
137.02405	2.9
141.05591	9.8
153.01912	1.6
155.03496	41.8
159.02948	2.9
169.05077	9.8
185.04539	45.5
186.04951	1.8
187.06129	23.4
199.02469	28.9
203.05591	14.0
217.03554	5.1
231.05081	100.0
232.05374	4.0
249.06100	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	246.0983
Annotation	Valinopine
Peak:m/z	Relative Intensity
54.73314	1.0
59.01377	3.1
61.77561	1.0
65.61200	0.9
70.01667	5.0
70.02987	1.3
71.01376	24.2
71.80888	1.1
73.02937	1.1
74.02473	100.0
75.00864	4.2
75.02802	1.2
88.04041	72.4
89.04381	1.4
96.99322	2.6
100.04034	1.6
110.02477	2.1
111.08137	1.1
114.01958	1.7
114.99557	2.1
115.00371	43.2
116.04999	1.3
117.05412	1.8
119.05011	3.6
128.03540	6.7
130.08736	69.3
131.07137	66.7
132.03011	3.0
132.07491	1.9
140.67383	1.1
156.10268	1.3
184.09769	2.3
202.10832	60.6
203.11136	3.6
204.08540	3.4
222.86523	1.4
228.08623	5.9
246.09787	86.0
247.10048	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	247.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01381	22.3
68.41889	1.4
69.03459	8.0
71.01386	20.2
71.05034	3.5
72.99309	62.4
73.02942	13.4
75.00869	4.0
81.03453	2.7
83.01395	2.4
83.05020	9.2
84.02192	1.4
85.02962	6.5
87.00884	15.1
87.04531	2.1
88.04036	1.6
88.09753	1.4
89.02438	17.6
93.03465	16.8
95.05058	8.9
97.02953	4.8
97.06577	8.4
99.04529	8.1
100.18397	1.5
100.46128	1.5
101.02448	1.9
101.06063	2.0
105.80078	1.2
107.05018	6.9
108.02160	1.6
109.02956	7.6
109.06599	4.1
111.04523	99.8
111.08165	2.1
111.37972	1.5
112.04819	2.2
113.02440	4.8
113.06068	9.3
115.07635	3.1
117.01958	2.6
121.06577	4.3
122.03746	1.8
123.04521	27.7
125.06084	21.0
127.04004	10.2
129.05586	5.6
131.04611	1.6
132.03093	7.2
137.06085	11.3
139.04024	2.9
139.07634	9.5
141.05588	16.2
143.03569	1.7
143.07123	2.1
149.06020	1.9
152.04941	1.3
157.05092	7.5
157.07674	2.1
159.06665	7.3
161.08211	1.5
162.83385	1.3
167.07176	11.6
168.99895	1.6
169.05075	23.8
181.05077	3.3
186.95615	3.7
187.06125	41.1
201.07631	2.6
211.02411	1.3
211.06128	4.5
229.07187	2.4
247.08224	100.0
247.11978	3.7
248.08614	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
70.67626	0.4
74.46736	0.1
79.20987	0.2
148.93315	0.2
184.00208	0.7
205.15987	0.5
207.13927	0.2
220.17043	0.3
231.13931	0.8
247.17024	100.0
248.07990	0.8
248.17357	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	249.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72463	1.2
57.03444	1.6
58.45557	1.4
59.01377	2.8
64.25311	1.5
65.03981	2.0
67.05521	1.7
68.19155	1.4
69.03474	3.5
70.76986	2.8
70.77329	2.3
71.01385	1.4
72.98890	2.0
72.99304	31.3
73.02950	9.0
75.00868	3.2
81.03459	13.6
83.01379	6.3
83.05028	17.3
85.02956	3.5
93.03447	12.2
97.02340	2.6
97.02946	32.2
108.02155	4.8
109.02952	38.6
111.04522	36.4
113.02480	1.5
115.04014	2.6
125.02449	3.0
125.06064	4.1
127.04011	32.0
129.05585	1.7
137.02437	4.4
141.05557	7.3
155.03500	41.0
159.02979	2.8
161.27095	1.4
169.05115	7.5
171.03038	3.1
185.04544	48.4
187.06117	22.0
199.00616	1.5
199.02473	28.2
200.02821	1.4
203.05576	12.8
217.03598	8.5
231.05095	100.0
231.08775	3.7
232.05408	5.2
249.06131	5.5
249.09857	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	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02976	23.3
59.01368	1.5
59.62876	1.1
70.02972	14.2
71.51492	1.6
72.00906	5.6
72.04546	3.7
73.02956	0.8
74.02474	100.0
79.22756	0.9
84.47257	0.7
84.93161	0.8
98.02484	23.5
114.27280	0.9
116.03546	26.5
116.05058	32.7
117.05411	1.7
128.12192	0.8
130.06633	5.0
142.06607	7.6
159.09283	7.2
186.05553	1.5
190.31610	1.0
201.10284	7.2
203.08269	75.6
204.08617	3.8
213.07660	2.5
245.09320	68.0
246.09682	4.0
266.96286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	8.1
59.01388	20.1
68.99826	1.8
69.89828	4.0
69.90209	2.6
71.01388	10.3
72.02177	3.5
72.99301	2.5
73.02933	3.5
75.00885	2.3
81.07111	1.8
84.02218	1.7
85.02948	4.1
87.00881	13.4
89.02449	7.5
95.05025	3.6
97.06589	16.1
99.00864	1.6
99.08167	8.5
101.02438	2.4
105.01912	2.9
108.02166	2.4
109.06568	4.1
111.08197	2.9
112.01636	2.8
119.12499	1.0
125.06064	4.0
127.07652	100.0
128.07968	3.3
128.12158	1.5
129.01935	4.1
129.09224	6.4
131.22153	1.4
137.06105	7.3
139.07701	6.6
147.02965	4.3
155.07133	41.5
156.07425	1.2
157.08670	3.2
167.07124	2.5
169.08589	1.4
181.19115	1.3
183.10268	1.5
185.08185	6.3
194.77721	1.1
203.47411	1.1
215.77765	1.3
245.10277	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	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
50.21534	0.5
54.07456	0.5
56.65568	0.5
57.03432	2.2
61.98827	0.8
66.25378	0.5
69.48354	3.4
71.05030	2.0
74.83418	0.5
83.05025	1.5
85.58787	0.5
97.06583	1.8
111.08134	4.0
125.09740	1.3
147.11769	0.6
151.46091	0.6
155.14441	2.9
163.11292	1.1
165.12842	23.3
166.13129	0.6
168.14880	0.5
179.33195	0.7
181.12305	0.8
182.43829	0.6
183.13898	20.9
184.14211	1.3
187.09666	0.7
199.13332	1.1
201.14958	11.0
209.11818	19.4
210.12163	0.9
217.04756	0.6
225.11314	2.1
227.12878	61.0
228.13292	2.8
245.08640	3.0
245.13918	100.0
246.14233	5.0
251.88516	0.6
266.71555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	23.0
59.01372	1.6
59.79464	0.9
70.02980	16.6
70.50180	1.8
72.00911	5.8
72.04539	3.3
74.02474	100.0
84.27842	0.7
98.00881	0.8
98.02481	22.9
116.03545	25.5
116.05058	34.2
117.05396	1.1
130.06599	5.0
142.06598	7.4
156.08144	1.0
159.09256	7.5
183.09367	1.0
186.05589	1.9
201.10297	7.1
203.08266	85.6
204.08617	1.9
210.41730	0.9
210.44073	1.1
245.09319	65.6
246.09567	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	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
55.97372	1.5
57.71513	1.1
59.01379	3.8
66.03492	14.8
68.01419	2.5
70.69431	2.4
71.01386	2.7
77.60198	1.4
82.02986	29.5
94.02988	3.4
96.04556	2.4
99.00912	1.5
108.04598	3.0
110.02477	100.0
111.02013	6.1
111.02778	3.0
112.98855	1.9
117.01993	1.3
122.02486	8.5
124.04026	2.8
132.03023	1.6
140.03543	12.2
152.03549	19.3
153.03050	9.0
188.14226	1.5
200.03746	2.0
200.05641	38.8
243.06175	27.9
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
52.73262	0.8
52.81307	0.7
55.01870	1.0
55.46511	0.7
57.03450	1.0
59.01356	1.6
61.98815	1.0
65.49067	0.9
69.19463	8.0
71.01381	0.9
71.05021	4.9
81.03432	1.1
83.05026	1.3
85.75560	0.8
97.02933	7.2
97.06573	2.0
98.19849	1.7
98.77763	0.8
99.00877	28.2
101.40112	0.7
103.40142	0.7
104.87611	0.8
109.06602	2.0
110.03716	2.3
111.00920	1.0
123.08163	1.2
124.04004	1.2
125.09711	7.9
127.11291	1.7
135.00867	0.9
135.08096	1.9
136.05255	0.9
142.02693	1.2
155.14395	2.2
159.04494	3.4
163.11301	11.0
173.25827	0.8
181.12329	31.6
182.12634	1.2
188.57178	0.8
197.11833	1.1
199.07573	0.9
199.13379	24.6
200.13661	1.0
201.05556	3.0
207.10251	58.1
208.10623	2.3
225.11301	99.6
226.11676	6.1
243.06784	9.2
243.12340	100.0
244.12729	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03445	1.5
57.07156	0.8
58.20131	0.8
59.01379	5.2
61.98811	2.0
67.01897	1.2
69.38870	1.9
69.39288	5.4
71.01374	2.0
71.05010	2.5
72.76942	1.0
77.40340	0.8
83.05040	1.0
83.56977	0.8
93.03477	2.3
97.02953	4.1
97.06608	1.3
99.00883	11.8
100.02419	0.9
102.69328	0.8
109.06563	1.4
110.03695	1.2
124.04072	1.6
125.09697	6.6
127.11255	4.2
139.11295	2.7
142.02753	1.1
163.11316	4.8
171.10294	1.5
181.10815	1.8
181.12329	22.5
182.12657	2.1
183.10246	3.0
197.11772	1.7
199.13385	45.1
200.13676	2.4
201.11267	1.3
207.10263	31.4
208.10623	1.1
225.11310	65.0
226.11681	4.7
243.02931	3.4
243.06961	6.3
243.12358	100.0
244.12717	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
61.98832	3.0
65.29314	0.6
66.33320	0.7
71.05016	2.8
77.15796	0.6
83.05013	1.2
84.91070	0.6
97.02934	3.1
97.06561	2.0
98.07108	0.6
99.00262	1.2
99.00876	14.7
109.06570	1.4
110.03746	1.3
111.00803	0.7
125.09731	5.1
137.07098	0.7
142.02736	1.5
145.10181	0.8
153.12851	1.2
155.14421	1.2
159.04483	0.7
161.09743	0.8
163.11261	6.3
169.12399	0.9
179.33867	0.6
181.10829	1.3
181.12332	19.2
182.12711	1.2
190.45480	0.6
197.11816	2.0
199.03865	0.8
199.13388	27.4
200.13721	0.8
207.10248	30.5
208.10620	1.5
222.61067	0.7
223.45117	0.7
225.11314	66.3
226.11684	2.9
243.12361	100.0
244.12711	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	244.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24527	0.8
59.01384	1.4
61.98816	0.9
64.08829	0.8
64.77309	0.9
69.48655	3.5
69.49072	2.5
73.02917	1.2
86.01787	0.9
94.02966	1.4
98.20620	1.7
124.04043	2.7
147.04466	1.4
159.04538	1.7
161.00883	1.1
161.06076	1.3
162.01718	100.0
163.02069	2.9
187.01247	3.7
187.03960	1.4
188.04846	1.5
202.06255	1.6
203.07150	3.1
217.02280	84.3
218.02580	1.9
227.07198	0.9
244.03366	96.6
245.03706	2.6
245.08147	9.8
245.13992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0816
Annotation	Torachrysone
Peak:m/z	Relative Intensity
57.03450	2.1
59.01379	0.5
67.52626	0.2
69.17635	2.1
71.19998	0.2
76.13766	0.2
80.02671	0.4
80.51565	0.2
81.03457	4.7
83.01374	0.2
83.05040	0.3
93.03446	1.1
95.05024	3.6
97.02946	1.8
108.02162	0.7
109.02946	8.3
117.03412	0.2
119.05006	0.5
121.02947	3.4
122.03764	1.0
123.04527	6.3
129.07104	0.3
131.05020	0.8
133.02936	0.4
133.06583	0.7
135.04515	1.3
139.04002	1.4
143.05023	0.9
145.02934	1.0
146.03748	3.6
147.04532	2.3
149.02441	1.7
150.03183	0.4
153.59010	0.2
156.05779	0.2
157.06587	1.4
158.03735	1.1
159.04507	11.7
159.08109	0.3
160.01707	0.2
160.05301	3.8
161.02458	1.1
161.06073	13.8
162.03229	2.6
162.06386	0.6
163.03941	0.3
171.04491	0.4
172.05302	0.4
173.02498	1.0
173.06068	4.2
174.03212	2.9
174.06783	1.1
175.03987	7.4
175.07613	8.0
176.04326	0.3
176.07945	0.5
181.06638	0.3
183.04475	0.7
183.08125	0.3
184.05313	1.2
185.06081	2.5
186.06821	0.5
187.03995	15.1
188.04779	12.8
189.05347	0.7
197.06099	0.3
199.07639	3.4
201.01909	0.4
201.05534	2.6
201.09120	0.5
202.06334	6.8
203.03387	0.8
203.07121	35.4
204.07440	2.2
209.06107	0.5
211.04013	0.6
212.04753	3.1
217.05060	1.0
217.08636	1.6
227.03656	0.3
227.07133	7.0
228.07510	0.5
230.05807	2.4
235.73479	0.2
244.07355	0.2
245.08159	100.0
246.08516	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	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03442	1.3
59.01377	1.4
61.98835	4.1
69.03452	2.5
69.33178	1.6
69.33583	3.2
71.01386	0.7
71.05025	3.8
81.03478	1.5
83.05023	8.3
83.80750	0.8
97.06571	0.9
103.91992	1.2
108.02172	0.7
123.08159	0.9
125.09716	2.0
128.23370	0.7
137.09732	0.9
151.11288	1.1
153.12828	3.2
161.09686	1.2
165.09097	0.7
179.10785	6.2
195.14987	1.0
197.06023	4.0
197.11823	100.0
198.12190	5.4
198.40276	0.6
202.44615	0.7
213.16133	1.2
213.36917	0.6
213.91650	0.6
223.09721	3.3
225.05551	1.7
226.06352	3.4
241.05426	4.1
241.08730	4.0
241.10811	62.6
241.21683	3.0
242.05804	0.8
242.11160	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	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85595	0.7
52.28936	0.8
55.74425	0.7
57.03443	2.0
59.01367	1.6
61.98831	11.9
81.03457	1.7
82.17543	0.7
83.05027	4.2
92.58245	0.8
95.05038	2.3
97.06596	10.1
98.20692	2.7
102.06177	0.9
103.92020	2.2
109.06605	1.5
111.08172	9.1
118.91823	1.3
125.02466	0.9
135.29707	0.7
137.09717	0.9
139.87605	0.9
146.28958	0.9
147.11861	1.5
163.11275	3.0
165.12843	100.0
166.13242	5.4
197.15469	17.7
198.15892	1.1
204.97668	0.8
209.11815	6.0
222.98917	1.2
225.09750	0.7
226.06360	1.9
240.90016	1.0
241.04996	1.3
241.08734	2.3
241.14400	2.3
241.18002	4.0
241.21658	3.7
242.17535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1808
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
55.26512	0.4
57.03454	0.6
59.01380	1.1
61.98835	3.9
69.03478	0.6
71.01932	0.8
81.03522	0.4
93.94906	0.4
103.84274	0.4
103.92036	1.0
104.85552	0.4
106.35677	0.4
111.08145	1.8
118.91808	0.7
129.05624	0.5
139.44016	0.4
162.48187	0.4
165.12840	17.6
166.13240	0.6
197.15466	1.9
209.11749	1.0
210.29648	0.4
211.17041	19.3
212.17355	1.1
222.98848	0.6
223.17032	14.6
224.17429	0.8
226.06345	1.9
237.29395	0.4
241.08731	1.1
241.18089	100.0
242.18452	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	242.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92130	0.7
59.01360	2.1
69.55693	2.4
69.56111	3.3
70.02975	1.0
71.01381	8.0
88.04042	100.0
89.04377	1.3
89.18032	0.8
96.99323	1.3
114.01963	7.4
115.00368	12.4
115.53641	0.7
126.09232	2.0
127.07693	7.4
132.03027	70.1
133.03363	1.2
185.36519	0.8
198.11339	2.8
199.03964	1.9
211.61296	1.0
217.94594	0.8
224.09253	1.8
242.10342	24.6
243.10513	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	237.1496
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
58.81831	0.6
59.01377	4.7
61.98837	2.6
68.01398	0.8
71.01372	3.3
71.51859	1.0
73.02967	1.0
75.00903	0.7
80.96513	1.0
81.62245	0.6
85.02951	6.1
93.03486	0.8
96.51596	0.5
101.02440	2.1
109.02884	0.8
113.02467	1.2
114.70580	0.6
121.02937	1.5
122.03739	14.8
125.09755	1.0
125.13923	0.7
137.02405	0.7
149.09776	1.4
154.02766	0.6
161.04524	1.1
163.07628	2.7
165.01891	0.6
165.09203	2.2
165.12904	1.1
178.09998	9.6
179.10771	100.0
180.07903	5.1
180.11160	3.8
183.10135	0.9
193.01373	0.8
193.08698	4.4
219.13817	2.7
237.00291	0.7
237.03818	0.7
237.14934	61.3
238.15182	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	239.056
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
59.01381	5.4
70.70020	2.1
71.01390	0.9
72.99317	7.7
73.02943	1.7
84.81939	0.9
87.00856	2.3
91.05524	4.6
107.05073	3.9
108.02186	3.1
109.02915	1.1
117.03455	2.2
117.88412	0.9
121.02985	1.7
122.03735	9.7
123.04486	2.9
131.05017	1.6
133.06618	4.2
135.04512	2.3
149.06079	20.8
150.03220	100.0
151.03630	3.2
152.01140	2.2
161.04591	0.9
163.03970	3.4
165.05563	20.9
166.05933	1.0
167.03514	2.4
177.01839	0.9
177.05557	12.5
179.03502	10.9
179.05594	3.4
180.04298	10.1
194.02196	2.4
195.02922	0.8
195.06615	2.2
209.04538	46.7
210.04897	1.6
223.02823	1.5
224.03183	3.2
239.05589	60.1
239.09311	2.8
240.05904	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.62998	0.5
54.00372	0.6
59.01369	1.2
64.09816	0.6
68.74767	0.6
70.03034	2.2
95.05035	1.2
101.06078	8.1
109.06594	6.8
111.08154	5.7
122.03701	0.8
125.09710	1.1
135.11844	0.6
138.06894	1.2
139.04010	15.5
140.04430	0.8
151.11282	0.8
154.06352	32.7
155.06761	1.1
167.14400	10.3
179.05637	0.8
179.10774	4.4
180.11433	0.7
182.05875	2.9
195.13893	100.0
196.14246	4.7
224.75610	0.6
239.12885	5.8
241.97917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.61311	0.7
56.71703	0.6
56.92422	0.7
59.01378	1.9
61.98824	5.3
62.22015	0.7
69.03462	1.7
71.05016	3.6
71.52093	1.1
79.95667	0.7
83.05078	0.9
97.19543	0.8
103.92068	2.2
108.02199	1.4
118.63093	0.6
118.89199	0.7
123.08173	1.3
125.09734	1.7
147.00455	0.7
151.11218	0.9
153.12868	3.1
177.09311	0.8
178.99835	1.2
179.10767	5.3
182.45392	0.8
197.11821	100.0
198.12216	4.9
223.09789	5.7
225.02686	0.7
225.05531	1.6
226.06339	2.5
241.05368	4.2
241.08644	5.4
241.10803	44.3
241.14558	2.0
241.21706	2.9
242.11104	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	237.0404
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
51.26680	0.6
70.44373	0.6
71.01394	2.1
71.33669	0.8
78.27045	0.6
93.03450	1.0
101.02469	1.6
106.04227	1.1
121.02950	10.6
127.07584	0.7
133.02957	7.4
134.03740	100.0
135.04074	3.5
137.02443	17.9
138.02777	0.7
139.03993	6.1
149.02435	1.1
149.06071	19.4
150.03233	1.9
150.06392	1.0
164.28249	0.8
165.01973	0.8
171.63156	0.7
178.02705	56.1
179.03084	1.5
193.05045	18.0
194.05324	1.3
204.62982	0.7
222.01675	10.8
222.05228	1.0
237.04030	76.1
238.04408	2.7
255.38237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70608	0.6
65.73111	0.6
67.32469	0.6
69.69063	0.7
69.77443	1.3
69.77831	2.0
71.01378	21.0
77.07111	0.6
93.03507	0.7
101.02432	0.6
115.00376	8.8
119.39959	0.7
121.02952	100.0
122.03290	2.4
134.03693	0.7
135.27324	0.6
143.96463	0.7
167.21425	0.6
178.02715	0.9
193.07294	0.7
235.39194	0.7
237.07722	1.0
238.05171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09209	0.9
59.01407	1.1
59.63213	0.8
69.40162	6.8
71.01377	8.9
75.00862	1.0
94.03045	1.2
101.02428	1.1
113.02474	0.8
115.00368	15.2
121.04079	100.0
122.02496	7.0
122.04431	1.8
134.03781	1.5
147.04559	1.1
148.05345	2.2
149.06108	19.0
149.07224	4.7
165.15019	0.8
174.61073	0.8
175.05209	3.2
178.02771	1.3
193.06247	44.8
222.05148	0.8
222.07782	0.8
228.82028	0.7
237.05223	29.9
237.07524	1.4
238.05522	1.2
246.02353	0.9
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
62.19210	0.8
64.25690	0.8
70.67272	2.3
71.01384	15.4
71.06220	0.7
76.71752	0.7
77.17653	0.7
80.96513	0.9
84.05361	1.2
85.02976	1.0
94.25179	0.8
97.64386	1.0
98.19994	0.9
115.00375	30.5
119.05006	1.7
120.04549	100.0
121.02956	26.5
121.04852	3.8
128.04330	1.4
130.06639	0.9
134.03769	3.9
136.27681	0.8
137.02312	0.9
141.79605	0.9
146.06032	1.0
148.07677	10.5
149.06102	1.3
155.03477	0.8
156.03903	1.7
174.05588	12.5
178.02707	2.6
192.06653	37.8
193.06969	1.7
200.02885	1.2
218.04588	5.1
236.05612	45.2
237.03998	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.98835	0.7
69.39493	0.4
69.39903	1.1
71.01391	0.2
73.28690	0.2
79.95760	0.2
81.12804	0.2
111.04491	0.2
123.04539	0.2
123.62296	0.2
125.06095	0.3
129.96042	0.2
134.03767	0.7
135.04550	0.4
136.05278	0.8
148.05307	10.2
149.05931	0.5
149.09712	1.1
162.06862	0.5
175.07637	0.4
176.08499	1.0
177.09207	45.6
178.09560	2.2
190.10010	1.7
191.07130	0.3
191.09111	0.2
191.10719	1.2
192.11557	34.6
193.11917	1.6
201.09216	0.6
203.07111	0.7
206.09543	0.3
217.08684	3.1
218.09467	9.6
219.09879	0.4
222.91946	0.2
224.10544	0.3
236.10529	100.0
237.10915	5.5
237.14793	0.2
257.19028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
59.56599	1.2
70.54070	2.7
71.05019	7.9
72.05658	1.0
72.99309	46.8
81.03468	7.6
83.05029	70.8
93.03467	3.5
97.02953	1.5
99.04533	1.1
101.56864	1.1
109.02926	1.9
111.04523	34.3
115.03191	1.5
115.04012	36.5
127.04015	100.0
128.04356	3.0
129.05602	10.4
131.60556	1.0
137.02432	4.1
155.03506	88.3
156.03830	3.5
171.02965	8.4
189.04027	6.3
199.02486	66.9
200.02771	2.1
217.03532	52.1
218.03809	1.9
235.04568	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	235.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95995	1.1
65.74277	1.1
70.94048	3.0
71.05028	6.3
72.99308	44.0
81.03446	7.9
83.05024	74.2
84.05354	2.0
87.40868	1.1
87.76508	1.2
89.02371	1.1
93.03458	2.8
97.02919	1.6
102.09361	1.3
103.76030	1.2
111.04515	34.6
115.03187	2.1
115.04005	37.3
127.04013	100.0
128.04256	1.4
129.05594	8.5
137.02428	4.5
141.22467	1.2
155.03496	91.3
156.03798	1.9
162.04210	1.4
171.02957	6.5
173.04552	1.2
178.10699	1.2
189.04056	5.6
199.02473	66.9
217.03516	52.3
218.03987	1.8
235.04558	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03424	1.4
59.01385	3.0
61.67845	1.4
69.03456	1.5
71.01360	1.5
71.05018	6.9
71.50797	2.2
72.99306	56.3
73.02913	1.8
74.02455	5.0
81.03452	9.4
83.05022	80.2
85.02940	1.8
85.06593	1.5
87.00871	3.9
89.29259	1.4
93.03470	1.7
97.02933	8.4
99.00858	1.8
104.03561	1.4
109.02979	1.8
111.04522	40.4
113.02456	2.5
115.04007	40.1
116.03520	5.5
117.85033	1.4
127.04009	100.0
128.04332	2.8
129.05577	8.0
137.02415	3.9
141.01959	10.3
155.03505	91.3
156.03838	3.6
159.02945	2.2
161.00870	1.2
171.03052	7.0
173.04552	1.7
189.04074	6.3
199.02475	58.9
200.02759	1.7
203.01910	5.4
214.21667	1.3
217.03513	48.6
218.03746	2.2
235.04501	13.4
235.08046	1.4
235.10187	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	233.0665
Annotation	(R)-(Homo)3-citrate
Peak:m/z	Relative Intensity
56.21012	0.6
57.03458	1.4
59.01377	16.0
61.01790	0.7
62.79550	0.7
69.03461	1.0
71.01408	1.9
71.05016	0.9
71.50412	1.0
72.99295	1.1
73.02943	18.9
75.00879	1.2
76.69078	0.6
83.01395	0.8
83.05050	1.6
85.02944	11.7
85.03385	0.8
87.00883	1.5
87.04547	1.0
93.03487	2.2
95.05043	1.3
96.96008	0.6
97.02952	1.1
97.06581	3.4
99.00864	1.3
99.08167	0.8
101.02435	6.1
101.06054	1.0
104.03581	0.9
107.05081	0.8
109.02962	1.4
109.06602	3.9
113.06106	0.7
113.34907	0.9
115.03970	1.0
125.06120	2.5
125.09721	1.3
127.04026	1.0
127.07646	37.7
129.05565	1.9
141.01888	1.2
143.07178	4.1
145.01482	4.1
145.06636	0.7
153.05566	1.2
153.09212	1.4
155.07121	1.7
166.25403	0.6
168.13454	0.6
169.08681	0.7
171.06618	6.5
171.10268	2.7
173.04530	2.1
173.08160	6.0
187.06100	8.4
197.04585	1.5
197.08067	0.9
215.05603	100.0
215.09113	4.2
216.05992	4.9
233.01114	1.1
233.04507	1.0
233.06650	10.5
233.10277	14.4
233.15450	38.1
234.15790	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	233.1029
Annotation	ascr#11
Peak:m/z	Relative Intensity
57.03457	3.2
59.01376	32.6
64.64908	0.6
69.45280	5.0
71.01363	3.3
71.05020	12.2
73.02939	0.9
81.03477	0.8
83.05003	0.7
85.02950	2.1
87.04523	1.0
93.03452	1.4
97.06599	1.5
99.08155	11.2
101.06082	2.6
101.31421	0.7
109.06606	4.3
111.04516	0.9
111.08154	15.3
115.03991	2.8
127.07619	2.5
127.37329	0.8
129.05547	0.8
129.09238	6.2
135.04472	1.9
144.87663	0.6
145.01501	0.9
153.05582	1.8
153.09222	3.3
155.07159	6.0
169.08659	0.8
170.84949	0.7
171.10265	26.2
172.10590	1.1
173.08176	100.0
174.08521	3.2
215.05643	3.1
215.09212	8.4
233.10304	46.0
233.15405	23.2
234.10484	1.1
234.15807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
59.96724	0.7
60.97521	0.5
71.39534	0.3
74.99070	9.1
75.96217	0.5
83.22364	0.2
91.02227	0.7
93.00137	2.3
93.03455	0.3
114.96607	0.3
118.96250	1.5
125.02950	0.2
134.99400	8.3
135.99347	0.4
136.97325	2.5
141.07349	0.3
143.05339	1.1
149.00957	75.1
150.00908	3.2
150.98907	0.8
159.08495	1.9
161.06386	4.2
162.00708	0.2
201.04144	0.5
215.05589	1.4
217.07201	100.0
218.07349	6.1
233.10329	93.2
233.15297	9.8
234.10490	7.0
234.15788	0.6
235.08321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70853	2.5
55.01894	2.0
57.02691	2.1
59.01366	6.3
61.91348	2.1
61.98829	4.7
69.57711	14.2
71.01381	3.6
71.05018	8.8
72.99305	43.6
81.03456	8.3
83.05029	77.9
85.02949	2.9
107.56773	2.1
111.04527	33.4
111.77853	2.3
115.04021	36.8
118.38489	2.0
127.04020	100.0
128.04395	3.0
129.05559	9.9
137.02457	4.5
151.31372	1.9
151.32965	2.2
155.03506	87.0
171.02997	4.1
189.03976	6.3
199.02477	52.4
200.02798	2.6
217.03531	43.5
235.04526	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	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
59.01371	3.6
63.93479	1.3
70.72404	1.4
71.01370	4.1
71.05025	8.4
72.00913	1.7
73.02937	4.3
75.87410	1.3
81.03443	2.0
83.05042	9.1
87.00863	5.2
99.00877	13.3
99.48721	1.2
101.02441	65.6
110.06111	12.0
111.00858	7.0
127.04013	21.1
128.07176	4.9
134.41791	1.0
145.01427	100.0
146.01736	2.0
154.05052	5.3
171.02930	5.4
171.04886	2.0
192.94113	1.2
198.03996	4.4
216.05112	24.9
233.04976	2.8
233.15379	3.8
234.06026	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	233.0454
Annotation	2-O,3-Dimethylflaviolin
Peak:m/z	Relative Intensity
59.01378	5.6
62.05899	0.3
67.01878	0.3
69.16280	3.5
93.03460	1.0
103.34184	0.3
107.01387	3.9
109.02979	0.4
111.00874	0.9
114.77493	0.3
127.65688	0.3
132.02151	2.0
133.02956	2.5
135.00879	3.7
136.01630	0.5
143.04996	0.8
146.03719	1.5
147.00862	0.5
148.01622	1.7
161.02434	0.7
161.06078	4.9
163.00389	5.8
171.19595	0.3
172.05255	0.4
173.04555	1.0
174.03217	3.6
175.00327	0.4
176.01143	27.3
177.01743	2.2
178.99893	0.7
189.01942	5.8
189.05563	1.2
190.02707	5.9
192.00639	0.4
204.00623	8.1
205.01437	3.5
205.05029	9.0
206.05450	0.5
218.02220	3.1
233.04536	100.0
233.15430	23.5
234.04887	4.9
234.15578	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	232.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70552	1.0
70.02981	63.7
70.88128	2.5
71.03317	1.0
71.31238	1.0
77.86305	0.9
89.32339	1.0
91.05534	12.4
96.99300	9.8
114.01973	100.0
114.26091	1.0
115.02375	1.3
116.05111	1.3
117.03468	32.0
118.06597	1.2
134.06120	16.6
137.95770	0.9
139.00275	1.1
144.08228	2.4
146.06174	7.9
160.07693	3.5
172.03996	1.6
187.31528	1.0
188.07162	8.6
207.26868	1.1
232.06194	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45518	5.6
59.01383	35.6
66.78052	5.8
66.89970	6.6
71.01379	14.8
71.49371	8.7
73.02952	8.3
76.40145	6.9
79.59142	5.9
85.02969	6.2
87.00914	7.9
99.00892	25.4
99.31446	6.8
101.02444	81.0
103.05192	8.8
106.62502	5.8
109.02999	6.4
111.00863	12.8
126.47780	5.2
127.04028	22.8
129.01944	7.9
133.82967	6.6
145.01448	100.0
164.40587	5.8
173.04462	7.6
173.08229	20.6
184.11005	6.0
209.24733	6.3
215.05551	5.7
233.06628	8.7
233.10338	11.6
233.15463	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03437	5.5
59.01371	2.1
65.03957	1.6
67.01878	0.7
69.03452	7.5
70.02988	1.5
71.01382	4.6
71.05018	3.7
71.49680	0.8
72.00902	3.4
72.99306	23.2
73.02934	3.7
75.00922	0.8
78.95909	0.7
80.05061	1.3
81.03453	4.4
82.02996	1.6
83.01381	0.7
83.05011	4.8
87.00871	5.2
93.03497	0.6
94.02983	1.1
96.04525	3.1
97.02953	1.8
98.02477	33.5
98.06115	6.8
99.00881	16.9
99.01530	1.0
99.04479	0.7
101.02438	57.2
104.03548	2.5
108.04555	15.3
109.02938	1.2
111.00879	5.7
113.02440	10.6
114.05632	1.0
115.04002	8.0
116.03538	1.2
124.04043	19.5
125.02428	1.7
126.05608	23.2
127.04011	14.6
130.05090	6.7
136.94022	0.7
142.01453	2.0
142.05084	13.1
143.05414	0.8
144.06639	3.2
145.01427	79.6
152.03546	12.3
165.21266	0.7
169.01401	1.4
170.04578	100.0
171.03043	3.4
171.04913	2.6
175.62407	0.7
186.04059	3.5
187.02570	0.8
188.05641	5.3
204.05154	0.9
214.03569	37.1
215.03906	1.7
232.04602	83.5
233.02924	2.2
233.04987	2.5
233.15376	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	231.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
65.03963	6.4
65.74053	2.0
67.05521	3.0
69.03448	7.4
69.49252	11.7
71.01390	4.8
72.99309	61.6
73.02936	18.6
81.03446	33.8
83.01379	16.3
83.05017	18.6
85.02962	5.4
93.03456	27.9
96.69231	1.8
97.02951	63.8
98.19882	2.7
98.93532	1.8
106.69267	2.0
107.82223	2.0
108.02187	16.1
109.02227	4.2
109.02955	78.5
111.04520	55.1
125.02438	6.4
125.06072	11.1
127.04025	15.2
133.13951	1.9
137.02402	4.1
141.05574	19.3
153.02063	2.5
155.03511	45.3
159.02980	6.4
169.05032	17.7
171.03088	3.5
185.04541	100.0
186.04930	2.4
187.06113	29.8
198.67686	2.2
199.02463	15.8
203.05591	18.9
231.05064	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1601
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03436	1.2
59.01379	0.5
69.36526	1.7
71.01379	0.9
71.05034	1.9
82.62384	0.3
83.05039	0.9
87.04504	0.3
97.02942	0.5
98.19917	0.5
105.05103	0.3
109.02930	0.4
111.04530	0.5
115.04014	7.3
115.07649	0.8
125.09750	0.5
125.97626	0.3
127.11272	2.3
148.30745	0.3
155.03487	0.3
155.14397	0.8
171.10258	4.7
176.07278	0.3
183.13797	0.4
185.15488	0.4
187.07594	0.4
195.13884	0.7
213.14986	4.3
229.14401	3.6
231.15993	100.0
232.16307	4.7
238.89636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68322	1.2
54.24732	1.1
55.01870	1.6
57.03442	1.9
59.05873	1.1
59.76159	1.3
65.03957	4.6
67.01906	1.7
69.03443	8.8
70.88139	2.6
71.01373	3.9
72.99306	52.1
73.02943	21.3
81.03456	38.9
83.01383	14.2
83.05019	19.1
85.02937	5.8
90.65131	1.4
93.03461	24.5
97.02951	59.1
97.03587	2.8
101.02478	1.4
108.02166	12.2
109.02953	88.0
111.04517	53.4
113.02470	1.5
115.04031	2.1
125.02474	3.7
125.06058	8.3
127.00310	1.6
127.04004	13.4
129.57483	1.9
137.02437	4.4
141.05595	17.6
153.01953	2.2
155.03503	40.3
157.05052	2.5
159.02968	5.2
169.05048	14.3
171.02953	2.8
171.06671	3.9
178.50841	1.3
185.04550	100.0
185.84421	1.3
186.04893	3.7
187.06114	28.3
199.02454	16.2
203.05606	15.8
231.05087	53.4
232.05406	1.9
246.43086	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	231.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65270	2.8
55.25534	2.5
56.70844	3.0
57.03434	5.1
57.08422	2.6
59.01369	12.5
62.16490	3.0
63.86660	3.2
65.03969	7.4
67.01865	3.8
67.05535	7.3
69.03447	9.5
70.93233	3.6
70.93556	5.8
71.01390	5.5
72.99309	70.5
73.02946	31.7
73.68792	2.8
81.03450	50.7
83.01390	21.0
83.05020	33.0
85.02964	8.5
87.00898	4.6
87.92533	29.1
93.03460	40.6
96.92721	2.7
97.02952	60.2
103.92044	6.6
105.93604	3.3
107.05024	17.3
108.02174	13.5
108.77743	3.1
109.02953	93.5
111.03748	3.9
111.04516	79.4
112.04955	3.4
113.02422	3.5
115.03999	8.8
125.02437	9.6
125.06102	25.0
127.04011	25.0
128.63351	2.6
136.47495	3.0
137.02443	7.1
138.72275	2.7
141.05600	22.3
146.11932	2.9
151.04010	44.5
153.01944	7.4
155.03496	55.2
157.04982	2.7
159.02962	5.5
161.40500	2.8
169.05060	24.5
169.08632	5.6
171.02988	6.2
171.06750	3.6
184.17632	2.9
185.04544	100.0
186.04782	3.6
187.06102	42.7
199.02478	23.3
203.05693	20.2
208.18729	3.2
213.04054	7.6
230.99657	24.4
231.05092	58.5
231.08617	24.3
234.30203	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.39920	0.4
57.03445	1.8
59.01374	0.5
70.89755	0.8
71.05015	0.4
83.05020	1.0
85.02965	0.8
97.06598	0.7
124.55929	0.4
124.69460	0.3
125.06004	0.6
125.09726	2.2
127.11284	4.6
153.09160	0.4
153.12862	0.5
155.10782	3.9
155.14371	1.3
163.11240	0.6
165.12802	0.6
166.00185	0.4
167.14388	1.8
171.10265	3.4
172.05243	0.6
178.59985	0.4
181.12328	3.0
183.10294	0.9
183.13918	1.5
185.06042	0.6
185.11943	0.4
186.06976	0.4
193.12308	1.2
199.13393	7.0
200.04700	0.8
200.13783	0.4
201.09209	0.7
201.11281	1.4
209.11852	3.8
211.13393	11.4
229.08769	2.8
229.14427	100.0
230.14758	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.77049	0.4
57.03444	1.3
68.27785	0.4
71.05007	0.9
71.28181	0.8
83.05037	0.4
84.02158	0.5
85.02946	1.3
93.34632	0.4
97.06581	0.6
110.03941	0.4
111.08120	0.5
111.93429	0.4
113.77930	0.4
125.09702	3.0
127.11286	5.1
155.14420	2.3
158.97639	0.4
165.12817	0.6
167.14397	1.5
171.10266	4.5
183.13904	1.0
209.11865	2.8
211.13383	7.2
229.14432	100.0
230.14803	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	230.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.6
59.01375	7.4
69.03467	1.3
70.28635	1.6
70.28960	0.6
71.01369	1.1
71.05013	1.9
72.99306	5.4
73.02943	8.4
79.05545	0.6
79.95731	3.7
80.96505	3.1
81.03458	3.8
81.52527	0.5
83.01398	1.2
83.05038	4.3
85.02941	3.1
87.00879	4.3
87.92529	0.9
93.03458	4.0
95.05025	1.2
95.94633	0.8
95.95222	4.7
96.96003	0.6
97.02941	4.0
99.04501	0.9
101.06062	0.7
106.04238	2.6
107.05026	40.5
107.08754	0.6
108.02162	2.0
108.05368	1.0
109.02961	5.4
109.06589	1.8
111.04522	5.3
113.06107	1.8
115.04000	1.8
120.02681	0.6
121.02960	1.6
122.08542	0.6
123.04507	2.6
123.08148	2.2
125.06064	1.0
125.09731	4.3
127.04015	12.7
127.07659	2.1
137.02382	0.6
139.07632	0.9
141.05562	1.1
141.09195	1.8
143.07150	0.9
145.05083	2.9
151.04001	100.0
151.07500	3.5
152.04353	3.1
153.05536	0.6
155.03485	2.4
167.07137	0.9
169.04958	0.7
169.08699	10.2
171.06599	1.2
185.04538	5.2
185.08151	1.8
187.00706	3.4
187.04143	0.6
187.06107	1.3
187.07622	0.9
187.09717	1.7
195.06522	0.9
199.02455	1.1
203.05502	1.3
203.07173	0.8
213.07681	6.4
216.04210	0.7
230.99663	56.7
231.04877	1.8
231.06635	2.8
231.08659	17.7
231.12227	1.1
231.17639	0.8
232.00005	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03425	2.1
57.51528	0.8
59.01369	1.3
61.98817	1.0
68.48929	0.8
71.05003	1.2
71.51987	1.3
78.90930	1.0
80.02671	2.6
81.03455	2.0
83.01311	0.9
83.05017	8.3
84.02158	2.4
95.05032	1.2
97.06587	1.3
104.80148	0.9
105.07096	2.1
111.08170	4.6
137.02451	1.1
139.11375	1.1
143.00024	1.0
163.11279	5.4
165.12854	40.3
166.13182	0.9
169.10237	1.6
181.12254	1.1
183.13902	85.4
184.14268	4.2
185.06114	0.9
185.13329	4.9
191.10771	1.3
199.13411	4.3
209.11824	93.3
210.12151	6.5
227.03484	2.6
227.12880	100.0
227.20094	6.4
228.13087	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	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.21955	0.6
83.04970	0.7
119.47954	0.7
131.60039	0.7
165.12837	20.3
166.13159	1.1
183.13901	100.0
184.14232	4.0
209.11781	1.6
227.12869	20.0
228.13142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0391
Annotation	Flonicamid
Peak:m/z	Relative Intensity
57.44657	3.1
60.74944	3.0
71.51347	4.1
81.00944	100.0
112.07642	3.5
114.02659	3.1
127.89117	2.9
146.02217	12.1
149.47559	2.9
175.06856	4.1
178.61888	3.4
228.03908	51.2
229.11057	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	228.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
70.02974	1.4
70.26225	1.0
70.26601	1.3
71.01380	7.1
72.99284	0.9
88.04041	100.0
89.04368	1.0
96.99314	1.5
112.07691	2.2
112.14924	0.5
113.06084	8.5
113.28614	0.5
114.01975	8.1
115.00369	12.9
116.00785	0.5
132.03027	61.6
133.03308	1.0
166.08804	0.5
184.09740	3.1
198.22182	0.5
200.50658	0.5
210.07727	0.6
228.08760	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	229.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05835	7.3
61.98831	76.6
69.94189	39.3
71.01376	10.6
72.51341	7.1
75.18031	7.2
98.20362	16.6
99.92604	9.0
100.92648	10.9
116.92841	42.4
151.53174	7.5
156.92146	13.3
170.88316	100.0
178.79543	8.7
182.82788	14.4
186.89825	9.6
190.85210	10.7
192.84927	9.6
196.42845	8.3
210.64760	8.0
229.02852	10.6
229.05048	15.9
229.14290	16.0
229.92076	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	229.108
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.9
62.07923	0.7
69.48564	5.5
69.48885	1.0
71.01382	6.9
73.02956	1.0
84.02160	6.5
95.05038	2.2
97.06584	31.6
107.05022	4.5
110.03725	1.9
115.74599	0.7
125.06081	100.0
126.06425	3.0
159.04478	1.5
167.10703	0.7
172.05286	15.1
173.06020	2.6
185.06067	9.7
186.06870	12.6
187.07599	1.7
187.54951	0.7
199.03966	3.4
199.07578	4.1
200.04778	21.8
200.08327	2.4
201.05307	2.2
201.09219	13.3
204.04247	2.7
211.07661	2.2
211.13281	0.9
214.06290	5.7
218.05875	2.5
229.04974	3.6
229.08679	99.4
229.10551	3.6
229.14407	3.6
230.08987	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	229.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01366	1.4
69.37028	1.1
69.37453	1.6
71.01380	0.4
71.05004	0.9
83.04990	0.4
84.02160	1.0
85.02964	0.6
97.06606	2.0
98.20598	0.8
125.06073	5.0
125.09728	5.4
127.11282	5.8
134.51216	0.4
145.02972	0.4
155.14412	2.7
165.12787	0.9
167.14441	2.6
171.10281	0.4
172.05287	1.5
183.13924	0.9
185.06047	1.0
185.11865	0.4
186.06841	1.0
199.03995	0.5
200.04691	1.9
201.09204	1.0
209.11809	2.6
211.13371	3.7
211.95374	0.3
228.76115	0.3
229.08705	8.0
229.14429	100.0
230.09097	0.5
230.14754	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16628	0.5
54.82283	0.4
57.03448	3.5
59.01377	100.0
60.01715	0.8
69.96826	2.4
81.03452	0.7
82.73647	0.4
83.05040	2.1
90.70332	0.4
93.03463	2.8
95.05036	0.5
96.96014	1.7
97.02924	0.7
97.06575	0.9
107.05034	0.6
108.02213	2.6
123.04525	0.5
125.06142	0.5
126.90541	0.6
135.08116	0.5
137.02428	1.1
137.09753	0.9
138.22351	0.5
147.08171	2.1
149.02437	0.6
150.18657	0.5
152.01187	1.4
163.11284	2.0
164.11649	0.5
165.09172	3.5
181.12331	1.8
207.10190	0.7
225.04076	0.7
225.07835	1.9
225.11313	26.7
226.11609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03429	0.5
59.01372	0.6
65.17709	0.4
67.01908	0.4
69.28254	3.3
71.05017	0.5
71.39868	0.4
80.02682	2.0
81.03472	2.0
83.05022	7.0
84.02161	3.6
95.01337	0.4
95.05022	1.5
97.06618	0.5
98.20611	0.6
109.06614	0.8
112.40292	0.4
113.06100	0.6
125.06075	0.4
125.09737	0.4
132.19638	0.4
135.08144	1.1
151.87306	0.3
163.11299	6.3
165.12822	5.1
169.12347	0.4
181.12418	0.7
183.13887	3.6
191.10751	1.3
199.13393	2.2
209.11816	100.0
210.12160	5.0
227.03371	0.7
227.07191	0.7
227.09323	0.5
227.12909	7.1
227.20116	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.44418	0.5
59.01390	2.6
61.98831	5.7
64.46998	0.5
64.62536	0.5
67.16051	0.5
71.05021	0.8
71.52110	0.6
76.10760	0.5
81.03442	1.0
81.87456	0.5
83.05051	0.9
93.03458	3.3
97.02955	12.6
97.06592	0.6
99.00866	3.6
109.02937	0.9
109.06592	5.0
110.03761	4.1
111.04530	1.1
123.04504	0.6
125.09711	1.1
135.08156	1.9
136.05301	3.2
137.02460	1.2
142.02733	7.0
161.09747	1.1
163.11284	12.9
163.12561	1.0
169.76460	0.6
179.10754	1.1
181.12337	31.3
182.12688	1.7
189.09233	0.8
197.11845	2.6
207.10251	77.4
208.10605	4.2
210.05270	0.8
224.90434	0.8
225.00443	1.1
225.11314	100.0
225.92580	1.7
226.11679	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03455	1.7
59.01379	100.0
60.01736	0.8
60.99310	0.7
60.99852	0.5
61.98826	4.3
69.39616	4.1
71.01393	2.4
71.05020	1.0
72.99297	1.1
74.99082	1.6
75.00849	0.8
78.70530	0.5
84.02175	0.9
85.02943	6.1
87.00901	1.9
93.00162	1.0
96.96014	0.9
99.00911	0.7
99.04548	0.7
101.02471	1.4
107.01382	0.7
109.10509	0.5
111.00872	2.7
129.01953	2.4
135.04604	0.6
139.49004	0.5
149.00958	1.2
149.02489	1.0
151.04051	0.6
155.14113	0.5
161.04521	1.0
161.13411	1.7
161.17242	0.5
163.11282	0.7
164.03540	0.6
164.04852	0.7
165.01958	1.2
178.99879	0.7
179.07169	0.9
179.10754	1.0
193.01437	2.6
197.61623	0.6
200.34364	0.6
205.03615	2.0
208.03717	3.1
209.03346	1.1
223.02745	9.1
223.04562	1.6
223.06264	1.8
223.09871	1.3
223.13367	15.5
224.02837	0.9
224.09335	1.3
224.13803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0768
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
55.75165	1.5
57.03433	2.4
59.01371	3.9
59.90735	1.7
65.00314	2.0
65.03973	1.7
66.00973	3.6
66.86700	1.3
67.01904	4.1
68.99816	18.7
69.03466	3.4
70.14888	6.6
71.01383	6.5
73.02981	1.7
75.00864	4.0
76.97006	2.1
78.80526	1.5
79.05519	5.7
80.02671	2.0
81.03448	3.9
83.84595	1.7
84.02164	2.3
91.05531	4.0
93.03453	13.7
93.07089	5.1
95.05019	9.0
97.02950	2.2
97.06600	5.5
98.20000	1.6
99.00874	2.0
99.04533	3.0
103.05541	6.1
105.07101	23.0
106.04232	11.3
107.05033	16.1
108.02172	12.8
109.02981	4.1
109.06581	13.8
110.03764	2.8
111.08173	3.7
119.05035	16.1
120.05811	49.9
121.02959	15.1
121.06594	91.5
122.06934	2.9
123.04545	2.9
123.08169	28.8
125.06026	2.3
131.05017	14.7
133.06573	7.7
134.03743	10.2
135.04544	6.7
135.08163	39.3
136.01631	2.6
136.05309	3.4
136.08516	1.7
137.02454	12.6
137.06065	16.9
138.06871	5.3
139.07648	5.5
143.36008	1.5
147.04535	5.0
148.05302	3.5
149.06073	80.4
150.03194	2.4
150.06380	3.4
151.04042	2.7
151.07654	8.6
151.87137	1.6
152.04787	1.7
153.09219	3.5
156.32292	1.6
163.07637	7.5
163.11282	4.6
164.04793	1.5
165.00508	3.4
165.01927	4.9
165.05533	12.3
166.06352	56.9
167.07034	5.6
174.07829	1.5
175.03976	4.0
179.07208	8.2
180.04271	1.9
180.99957	1.9
181.08690	88.2
182.09009	4.7
193.05031	16.1
195.02968	3.0
195.06689	4.1
197.08110	2.0
199.09750	2.5
207.05069	27.6
207.06651	3.2
207.10284	6.5
208.05396	1.6
210.05318	18.5
225.07707	100.0
225.11041	16.6
226.08041	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	223.1339
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
55.90369	1.0
57.03439	1.7
59.01379	5.9
61.98825	2.1
65.55595	1.1
69.03446	8.8
71.05019	2.3
79.88164	1.0
85.06573	1.8
86.13940	1.1
92.98576	1.1
93.03437	1.1
96.95996	1.3
98.20688	2.4
109.06606	2.4
134.00819	1.2
149.09695	2.5
161.13306	1.6
167.10756	10.4
177.12886	1.9
179.10809	3.9
179.14397	11.3
195.13893	34.4
196.14211	2.0
205.12320	23.3
205.14093	2.2
223.02744	2.5
223.13380	100.0
224.13771	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	223.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
59.01359	1.1
65.00308	1.2
65.34422	0.5
66.64365	0.4
69.77119	0.7
69.77529	1.5
70.46427	0.3
71.01395	1.8
72.99296	1.4
73.02940	0.4
75.00880	1.0
83.01382	0.8
83.70621	0.4
84.02158	2.1
85.02954	6.1
87.00864	1.0
89.03981	0.8
91.05524	1.3
93.03455	6.9
96.95979	0.5
99.04506	1.1
101.02455	0.8
107.01361	0.7
108.08198	0.7
109.02982	0.7
109.91145	0.4
111.00894	3.4
117.03460	1.9
119.01428	0.5
119.05041	2.0
121.02953	36.7
122.03335	1.1
123.04481	0.6
129.01938	1.6
132.02182	1.9
134.03708	0.4
135.04526	4.6
136.01674	0.6
137.02464	0.9
143.03445	0.8
147.04526	5.3
148.23033	0.4
149.02435	100.0
150.02776	3.4
151.04031	0.8
152.01143	6.0
161.04561	1.4
161.06071	0.5
163.02719	0.7
163.04004	6.7
164.04785	56.9
165.01926	4.9
165.05112	1.9
167.03499	1.1
169.05031	2.4
178.99850	0.9
179.07133	6.4
179.10677	0.3
193.01414	23.4
194.01738	0.4
196.65823	0.4
205.03493	2.7
208.03760	32.8
209.04128	1.4
215.60806	0.5
223.02570	3.4
223.06149	28.1
223.13359	0.5
224.06474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
58.74754	2.0
59.01384	12.4
61.98835	17.3
65.00323	4.2
69.03455	8.9
69.70546	2.0
71.01373	4.3
71.04975	2.5
73.02934	2.3
74.99052	3.1
81.03497	2.3
85.02971	5.9
85.77499	2.4
89.00321	3.6
93.03455	2.7
95.04995	2.4
101.02381	3.4
105.82037	1.9
107.01406	5.3
107.05058	2.4
108.23210	2.1
121.02979	3.4
123.11353	2.0
129.01886	3.0
149.02405	4.7
151.00415	4.0
151.03973	3.2
161.98323	5.6
164.04779	3.0
167.10757	9.2
176.98302	7.6
178.99876	4.8
179.10753	7.4
179.14349	11.5
188.11023	2.5
193.01378	7.4
194.99358	7.5
195.13893	28.7
196.14131	2.6
205.12312	21.0
208.03761	9.8
211.79294	2.5
222.98837	3.7
223.02678	18.8
223.06171	5.2
223.13387	100.0
223.20523	2.4
224.13762	4.7
229.07497	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	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.3
55.98109	0.6
57.01640	0.6
57.03448	17.2
59.01376	10.7
64.91067	0.6
67.01887	1.4
68.99802	2.2
70.56392	2.2
71.01378	15.2
72.99313	5.0
73.02946	2.4
75.00874	7.2
83.01379	12.4
84.02174	3.8
85.02948	100.0
86.03302	2.2
87.00866	5.0
88.01653	0.9
99.00833	0.7
101.02440	13.3
103.00375	1.5
103.03994	1.8
111.00877	48.6
112.01230	1.0
121.02914	0.6
129.01938	30.8
142.07219	0.6
143.03413	1.0
147.02982	6.2
149.02402	1.5
159.60318	0.7
161.04538	2.4
163.98039	0.7
164.04811	1.0
173.00877	0.6
173.41281	0.8
187.02458	3.0
205.03517	39.6
206.03860	1.2
223.04553	35.7
224.05154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.061
Annotation	Sinapate
Peak:m/z	Relative Intensity
57.03432	0.4
59.01373	0.8
65.00340	0.9
67.01895	0.4
70.65149	1.1
71.01369	1.0
72.99321	0.5
83.01398	0.8
84.02171	0.7
85.02957	3.6
85.63264	0.4
89.03968	1.2
91.05502	0.9
93.03468	4.8
101.02435	0.6
111.00867	1.8
117.03471	2.1
119.01394	0.4
119.05017	1.5
121.02956	31.3
122.03298	0.8
123.04479	0.4
129.01944	1.2
132.02168	2.2
135.04507	3.6
137.02504	0.7
137.99274	0.4
147.03302	0.6
147.04507	5.3
149.02438	100.0
150.02792	3.4
152.01154	4.4
161.04568	0.4
161.06058	0.6
163.04002	5.8
164.04791	58.1
165.01909	3.2
165.05086	2.4
167.03537	0.5
169.05107	1.7
179.07127	5.6
180.07347	0.5
193.01410	14.7
194.01765	0.5
205.03552	1.4
208.03755	22.0
209.04169	0.7
223.02550	1.2
223.06133	26.9
223.13379	0.8
224.06441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02056	0.8
55.01878	6.4
57.03447	18.0
58.00617	0.7
58.88914	0.6
59.01376	9.8
66.91608	0.7
67.01878	1.3
68.99812	2.3
69.53257	3.8
71.01381	14.9
72.99308	5.4
73.02934	3.1
75.00871	6.9
79.79924	0.6
83.01385	11.3
84.02178	4.0
85.02950	100.0
86.03281	1.7
87.00883	5.0
88.01653	1.3
89.28262	0.5
99.00860	0.8
100.14352	0.6
101.02438	12.9
103.00365	1.6
103.03992	1.7
111.00880	48.9
112.01250	1.0
125.02438	0.6
126.15105	0.6
129.01936	28.4
139.79060	0.6
143.03491	1.0
147.02994	6.0
161.04524	3.0
164.04716	0.7
187.02458	2.4
205.03514	40.3
206.03894	0.8
223.04575	37.7
224.04825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21587	1.0
55.01868	5.0
55.77501	1.2
57.03444	18.5
58.00586	1.5
59.01377	11.3
67.01884	1.9
70.20464	2.1
70.20865	3.6
71.01378	28.8
72.98940	1.8
72.99307	22.7
73.02949	4.0
75.00874	13.1
81.03476	3.0
83.01380	10.3
84.01656	1.5
84.02164	39.0
85.02946	100.0
86.00108	1.8
86.03288	2.2
87.00869	12.0
88.01641	3.1
89.02433	4.9
99.00867	4.7
99.04520	22.2
101.02437	12.4
103.04001	2.9
111.00877	46.9
115.00365	4.0
125.02429	10.3
128.01129	8.5
129.01938	36.8
133.01431	4.5
134.01633	1.2
143.03496	10.5
147.02957	9.3
161.04547	18.2
162.37968	1.3
169.01451	1.3
169.93413	1.3
174.62088	1.2
187.02478	6.7
197.86473	1.2
205.03517	51.0
206.03830	3.2
223.04570	55.7
224.05020	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	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.7
57.03447	18.8
58.00591	1.6
59.01156	1.0
59.01383	12.7
61.49671	1.2
71.01380	21.4
71.26237	1.4
72.99303	14.0
73.02937	4.1
75.00867	10.5
83.01387	10.2
84.02164	19.1
85.02947	100.0
86.03278	1.8
87.00878	7.7
88.01695	2.1
89.02435	2.3
89.37299	1.3
99.00836	2.2
99.04527	12.8
101.02452	12.8
103.00318	1.4
103.04001	1.9
109.31208	1.2
111.00879	42.6
115.00388	2.3
125.02414	5.5
127.64845	1.3
128.01147	5.6
129.01945	32.8
133.01399	1.6
143.03488	6.1
147.02997	8.9
161.04581	10.3
187.02495	4.1
195.18440	1.2
205.01636	2.2
205.03540	39.2
223.04573	40.7
238.08244	1.3
242.18404	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	219.0509
Annotation	(R)-(Homo)2-citrate
Peak:m/z	Relative Intensity
50.72152	0.8
55.14676	0.8
57.03456	1.4
59.01375	7.0
62.87495	0.8
69.66187	4.7
71.01385	7.9
81.03459	1.1
83.05037	2.8
84.45309	0.8
84.79480	0.9
85.02947	11.8
85.06573	2.6
94.75232	0.9
95.05015	2.2
98.57053	0.8
108.88422	0.8
111.04521	2.2
113.06091	35.3
129.05609	4.4
139.04001	2.5
155.03410	1.0
157.05057	5.1
164.99905	1.5
173.04543	8.6
183.03018	1.2
201.04039	100.0
202.04370	3.6
219.05058	5.9
219.17480	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	221.1545
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
53.22348	0.1
59.01368	0.2
69.54527	0.3
69.54928	0.9
88.31306	0.1
98.19922	0.3
127.07661	0.8
148.05286	0.4
149.06036	0.5
151.07619	0.2
164.08440	2.4
205.12352	1.9
206.12602	1.0
207.13863	1.1
220.14664	3.8
221.15445	100.0
222.15785	5.6
235.13394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
57.03447	18.8
59.01377	12.7
60.14865	1.0
68.99807	2.2
70.67448	2.1
70.67804	1.7
71.01011	1.1
71.01385	20.8
72.99306	12.1
73.02946	3.4
75.00871	11.3
76.39478	0.9
83.01393	12.3
84.02177	13.2
85.02949	100.0
86.00089	1.5
86.03279	2.6
87.00877	7.7
88.01649	1.8
89.02464	2.2
99.00870	2.3
99.04513	8.0
101.02423	14.0
103.00372	2.2
103.04002	2.2
111.00881	46.3
111.01663	2.2
115.00328	2.5
125.02452	6.5
128.01151	2.2
129.01947	33.9
143.03484	4.0
147.03001	11.0
161.04556	8.2
187.02481	2.3
205.03510	41.6
206.03848	2.2
223.04575	38.0
230.68889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0509
Annotation	(-)-threo-Iso(homo)2-citrate
Peak:m/z	Relative Intensity
57.03431	1.4
58.00581	0.6
59.01379	7.1
71.01382	8.0
71.29414	0.5
71.29750	0.6
83.05037	2.3
84.24332	0.4
85.02950	14.5
85.03468	0.8
85.06167	0.4
85.06580	2.5
95.05039	2.8
101.02422	0.6
109.26648	0.3
111.04522	2.4
111.11697	0.4
113.06089	37.6
114.06448	0.8
117.80451	0.4
125.25522	0.3
127.04005	0.8
129.01933	0.5
129.05574	4.7
129.63762	0.4
130.05899	0.4
139.04025	2.6
141.01935	0.5
155.03484	0.8
157.03886	0.6
157.05075	6.9
173.04552	8.6
183.03043	1.4
201.04044	100.0
202.04396	4.2
219.05087	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	217.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07553	0.5
56.91489	0.5
59.01379	16.0
61.98817	2.7
64.78149	0.7
69.87771	3.1
72.99303	3.1
81.03443	1.6
83.05022	6.5
93.54014	0.6
95.05030	0.9
109.02969	0.5
111.04506	6.4
115.04001	2.2
116.29498	0.6
120.09463	0.6
124.01668	1.3
124.89137	2.4
127.04020	10.0
128.25278	0.6
135.04520	0.8
137.02414	1.2
143.08553	0.5
145.02986	0.9
145.06541	0.6
146.03714	1.8
147.04532	3.3
155.03497	7.7
158.03717	0.8
159.04512	61.1
160.01645	0.6
160.04849	3.0
161.02448	4.4
162.03223	15.0
162.48599	0.7
170.03787	1.0
170.88606	0.9
171.08105	1.4
173.06068	10.6
174.03168	5.1
174.06802	5.8
174.99225	5.1
175.03984	1.3
175.07623	1.0
176.04782	0.7
183.04454	0.7
184.05226	1.1
184.78674	0.6
187.04002	15.9
187.07645	2.3
188.04778	33.0
188.89436	1.3
189.05301	1.4
189.09209	34.1
190.09595	1.1
199.02501	3.1
199.07613	9.4
201.05540	2.3
202.06357	1.4
215.07158	1.2
216.07909	2.1
217.00301	2.2
217.08682	100.0
218.04462	0.8
218.09097	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	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01387	2.5
64.19955	0.5
70.80162	0.8
70.80480	0.8
71.01384	11.8
71.05022	19.6
72.00917	0.6
72.04546	0.8
72.99281	0.7
81.03499	0.6
84.05338	0.7
88.04042	100.0
88.33685	0.6
89.04394	1.5
94.13927	0.5
99.04514	5.9
112.04859	0.8
116.03566	0.9
116.07182	3.1
127.04006	0.9
128.04366	1.7
129.05574	0.9
133.77750	0.5
139.80904	0.5
146.08231	50.7
147.08563	1.4
156.03864	1.5
200.02870	0.9
201.04042	1.5
211.65585	0.5
218.10326	21.2
219.17479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45988	0.4
59.01374	4.8
65.03961	0.8
67.05542	0.6
70.77409	0.9
71.04131	0.3
71.05023	3.2
72.99309	23.3
81.03457	13.3
81.03938	0.7
83.01397	0.6
83.05024	54.1
84.05367	1.2
85.06573	0.7
93.03450	5.0
97.02944	1.3
99.04544	1.0
109.02962	4.6
111.04518	50.9
112.04866	1.4
115.04014	19.5
117.00470	0.5
124.37315	0.4
127.04012	100.0
128.04366	2.7
129.05589	6.9
137.02449	5.6
145.77357	0.4
155.03500	77.9
156.03792	2.4
168.99922	0.8
171.02960	2.4
173.04599	0.5
189.04044	1.7
199.02478	32.5
200.02872	1.0
214.48184	0.4
217.01567	0.6
217.03529	10.1
232.74988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0869
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
51.44058	0.5
54.29813	0.5
59.01382	5.1
61.98829	1.0
66.92033	0.6
70.21667	0.5
70.34408	2.4
72.99324	2.3
81.03458	1.3
83.05035	5.2
111.04514	5.2
115.04035	1.4
117.03453	0.6
118.52923	0.6
118.74088	0.6
124.89109	1.5
127.03996	7.9
129.05598	0.8
145.06602	4.5
146.03780	0.7
155.03496	6.8
155.04980	2.3
158.03734	7.8
159.04515	43.9
160.05296	10.2
161.02429	0.7
163.04070	0.6
171.08110	1.8
172.05293	0.9
173.06068	100.0
174.03336	1.3
174.06847	32.2
174.99257	1.9
175.07288	0.8
187.04018	6.3
187.07626	2.6
188.04790	28.6
188.08316	3.3
189.05240	0.9
189.09216	6.8
199.02525	2.9
199.07664	4.2
215.07181	0.7
217.08684	93.6
218.09047	4.7
238.05849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76417	0.8
59.01376	10.2
61.98824	2.7
69.66653	4.2
71.05004	0.9
72.99303	3.5
81.03445	1.2
83.05029	6.5
93.03458	0.8
94.66552	0.7
111.04520	5.2
115.04006	3.0
124.89111	1.9
127.04013	9.9
127.80443	0.7
130.04187	0.9
145.06555	4.3
146.03703	1.2
147.04523	1.0
155.03499	7.6
155.04941	2.1
156.05717	1.0
158.03740	6.3
159.04515	45.0
160.05319	9.6
162.03210	3.1
170.88690	2.0
173.06068	100.0
174.03214	2.4
174.06834	28.8
174.99275	2.8
175.04016	1.2
175.07317	1.4
187.04018	6.3
187.07603	1.9
188.04788	30.8
188.08380	3.7
189.09227	9.5
199.02437	4.1
199.07607	5.0
202.06268	1.7
217.00328	2.4
217.08691	95.8
218.09052	4.2
234.46657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1651
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.33031	0.4
59.01368	0.6
61.98820	1.4
65.00319	0.5
67.06172	0.3
69.22794	3.3
71.20420	0.3
78.84165	0.3
83.05031	0.4
84.43977	0.4
88.27043	0.3
98.20683	0.7
102.61568	0.3
108.68271	0.3
122.89433	7.6
144.00919	2.6
153.12935	0.6
168.88736	0.7
169.15987	5.0
171.01970	0.6
172.00478	0.5
186.89806	3.8
197.15544	1.9
213.14983	0.7
215.00996	19.3
215.07124	0.9
215.16507	100.0
216.01285	1.1
216.16820	4.3
220.81177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.3
59.01362	3.5
66.34593	1.1
70.97927	3.4
71.05000	3.1
71.81813	1.1
72.99308	27.9
81.03455	11.1
83.05024	61.6
85.06596	1.2
88.04014	2.0
89.34126	1.3
93.03457	4.1
94.66029	1.1
99.04536	2.1
100.79363	1.3
109.02934	3.9
111.04520	52.4
112.04827	1.4
115.04004	20.5
116.04359	1.2
127.04012	100.0
128.04356	2.5
129.05582	11.8
137.02432	6.3
155.03497	76.3
171.02972	3.3
173.04472	1.9
189.04007	2.0
199.02478	33.9
217.03539	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	217.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.7
63.07576	1.0
71.05007	4.5
71.19591	2.1
72.99305	24.3
73.23889	0.9
74.99782	0.9
81.03449	11.1
83.05022	56.1
90.41091	1.2
93.03461	4.7
99.04507	1.4
101.02444	1.2
109.02941	3.8
110.60203	0.9
111.04520	47.2
112.04863	2.2
115.04011	17.6
121.60725	1.0
127.04009	100.0
128.04352	3.8
129.05600	9.0
129.54147	1.0
137.02429	6.3
155.03496	84.4
156.03807	2.4
171.02962	3.4
179.69722	1.0
189.03999	2.0
190.23476	1.1
199.02475	40.5
217.03499	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	217.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64716	0.9
57.71008	0.9
59.01368	4.0
70.50914	2.9
71.05000	3.2
72.99307	22.3
79.85652	0.9
81.03448	10.9
83.05025	51.8
84.05353	2.4
93.03444	3.9
109.02950	3.8
111.04520	51.0
115.04007	17.4
118.08714	0.9
127.04015	100.0
128.04347	2.8
129.05597	6.7
137.02408	4.9
155.03502	86.2
156.03804	2.8
160.14093	1.0
171.02956	2.8
189.04085	1.4
199.02480	34.3
200.02885	1.2
217.03511	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
65.03970	0.6
65.73319	0.5
70.81324	0.6
70.81673	1.4
71.05017	2.3
72.99309	17.6
81.03460	9.9
82.48713	0.5
83.01347	0.7
83.05025	42.5
84.05342	1.1
85.06506	0.6
86.78353	0.5
93.03452	3.8
102.93776	0.5
103.98323	0.6
109.02942	4.1
111.04520	49.8
112.04860	1.2
115.04014	13.7
127.04014	100.0
128.04370	2.6
129.05571	4.3
137.02434	4.9
155.03502	74.1
156.03865	2.3
171.02995	1.2
173.06023	0.8
174.03162	0.7
175.04005	0.6
175.07613	0.8
189.04041	0.9
199.02478	30.9
200.02769	1.2
217.03435	8.2
217.05019	0.8
217.08717	1.8
223.13110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
59.01375	2.0
61.98829	3.6
65.00327	0.8
68.93150	0.7
72.11445	0.7
74.17808	0.7
74.34347	1.1
77.78799	0.8
78.71564	0.7
94.03046	0.8
95.01411	0.7
97.02945	0.9
97.06587	1.1
109.09750	0.7
114.05624	0.9
118.03198	0.9
118.92424	1.8
120.89872	2.5
131.92589	0.7
151.11295	12.0
168.99083	1.2
169.12337	100.0
170.12689	3.4
183.13889	1.2
184.90248	1.2
194.99339	3.1
195.10228	1.6
195.13931	1.1
197.99225	1.7
212.94341	1.0
213.01598	1.1
213.05510	1.6
213.09225	1.5
213.11264	17.0
213.14880	7.0
213.18549	1.7
214.08757	1.0
214.11685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01371	0.3
65.16688	0.2
70.21552	0.2
70.85765	0.2
71.28678	0.4
74.67573	0.2
98.23547	0.2
154.83995	0.2
159.05194	0.2
165.12833	0.4
177.12863	0.6
183.13892	30.3
184.14262	1.1
195.13885	24.8
196.14226	1.1
208.90042	0.2
211.13377	0.6
213.14946	100.0
214.15283	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	215.14
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
54.53364	0.6
58.02965	2.0
69.50199	4.4
72.00920	3.1
74.02476	10.5
82.02987	10.8
84.04548	20.4
86.02483	4.1
93.02830	0.5
93.50581	0.5
98.20688	0.6
101.07227	0.7
107.48717	0.6
127.05125	0.8
128.03543	15.7
128.10786	4.5
140.10780	1.4
141.10342	6.6
142.12360	2.3
154.12350	1.3
167.11885	6.2
168.09029	0.7
168.10297	0.6
169.09810	0.8
169.13449	7.3
171.15024	11.7
184.60825	0.6
195.11353	2.2
197.12946	68.1
198.13229	2.0
204.59033	0.6
215.00975	0.9
215.13991	100.0
216.14328	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	215.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	1.7
67.29929	1.0
69.70219	6.0
72.00899	3.6
74.02467	10.6
82.02996	8.1
84.04552	17.9
85.82553	0.9
86.02489	3.7
98.20749	0.9
114.09253	1.1
114.41182	0.9
128.03545	18.0
128.10796	4.8
133.51624	0.9
141.10336	6.5
142.12384	1.4
154.12395	1.9
167.11916	4.6
169.09814	1.2
169.13435	7.4
171.15016	10.2
195.11348	1.7
197.12944	64.4
198.13173	3.0
215.01007	4.2
215.13994	100.0
216.14349	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	213.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
58.08043	0.7
59.01374	13.6
61.98836	1.3
68.99837	0.9
70.03709	2.8
71.01378	7.4
72.00942	1.4
73.02959	1.1
74.99409	2.1
82.99895	0.7
85.02946	29.9
86.68531	0.5
87.00896	1.0
87.04535	1.6
93.03492	0.9
96.96011	1.2
97.01350	0.6
97.06573	0.7
98.02521	0.8
99.00905	0.8
114.05644	2.7
115.02540	1.3
117.00440	7.5
125.00983	2.2
125.03604	1.1
125.04567	0.8
125.06105	2.0
125.09721	0.7
126.98897	3.7
127.02516	1.7
131.03534	0.9
137.02647	0.6
141.04095	6.6
141.09254	1.3
141.10385	0.6
143.02002	5.0
143.05634	10.7
144.05774	0.9
145.03580	5.5
153.05579	0.8
154.00014	1.1
156.99837	0.9
159.01503	8.0
167.01974	3.0
168.99901	1.4
169.03554	9.8
169.04948	1.2
169.08679	2.6
169.09900	1.4
171.01485	32.1
172.00977	11.8
183.13747	0.7
185.03052	46.0
186.03259	3.2
187.04614	100.0
188.04787	5.3
195.13951	1.0
213.02524	86.2
213.12743	0.7
213.14975	3.7
213.18510	1.2
214.02669	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	213.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
58.08043	0.7
59.01374	13.6
61.98836	1.3
68.99837	0.9
70.03709	2.8
71.01378	7.4
72.00942	1.4
73.02959	1.1
74.99409	2.1
82.99895	0.7
85.02946	29.9
86.68531	0.5
87.00896	1.0
87.04535	1.6
93.03492	0.9
96.96011	1.2
97.01350	0.6
97.06573	0.7
98.02521	0.8
99.00905	0.8
114.05644	2.7
115.02540	1.3
117.00440	7.5
125.00983	2.2
125.03604	1.1
125.04567	0.8
125.06105	2.0
125.09721	0.7
126.98897	3.7
127.02516	1.7
131.03534	0.9
137.02647	0.6
141.04095	6.6
141.09254	1.3
141.10385	0.6
143.02002	5.0
143.05634	10.7
144.05774	0.9
145.03580	5.5
153.05579	0.8
154.00014	1.1
156.99837	0.9
159.01503	8.0
167.01974	3.0
168.99901	1.4
169.03554	9.8
169.04948	1.2
169.08679	2.6
169.09900	1.4
171.01485	32.1
172.00977	11.8
183.13747	0.7
185.03052	46.0
186.03259	3.2
187.04614	100.0
188.04787	5.3
195.13951	1.0
213.02524	86.2
213.12743	0.7
213.14975	3.7
213.18510	1.2
214.02669	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	210.0408
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
59.01379	1.1
61.98825	2.7
64.01926	0.9
71.01402	0.9
71.25216	0.8
72.01726	0.8
72.99315	0.7
73.02946	0.4
77.03985	0.8
81.11928	0.5
81.27174	0.4
85.02955	1.2
86.03309	1.8
86.15000	0.4
92.05038	0.9
93.07118	0.7
93.08871	0.4
94.02996	0.7
99.17490	0.4
103.04308	2.3
104.05063	41.7
105.05410	0.8
108.02167	0.7
109.02986	0.5
113.99579	0.7
120.04548	6.3
122.03259	0.4
122.06113	2.1
123.08154	0.5
124.04061	1.5
136.07677	3.8
137.06027	0.5
148.01619	1.4
148.04045	65.2
149.04405	2.0
149.06071	0.5
152.01143	0.5
153.05595	0.9
163.04008	1.0
166.05086	100.0
167.05409	3.3
181.05064	1.2
192.02219	0.7
209.94888	1.0
210.04074	12.8
211.06178	0.9
211.13524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.20308	0.5
61.98817	1.0
69.03458	0.8
76.50755	0.5
76.78140	0.6
83.05045	0.7
91.09436	0.4
142.58820	0.6
162.87901	0.5
165.12825	0.8
167.10696	0.8
167.14372	1.4
177.85422	0.5
183.13895	17.6
184.14342	0.6
193.12288	4.4
211.13379	100.0
212.13765	4.6
225.80487	0.6
230.90619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.7
64.10921	0.3
69.03448	0.7
83.05039	0.7
88.61750	0.3
90.78187	0.3
98.00350	0.4
98.19855	0.8
114.73116	0.4
117.66737	0.4
132.61661	0.3
155.10745	0.7
165.12862	0.6
167.10777	0.9
167.14429	2.2
183.13892	15.9
184.14281	0.4
193.12364	4.4
200.56898	0.3
207.56210	0.4
210.94919	0.3
211.13382	100.0
212.13698	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	211.1703
Annotation	trans-Delta2-11-methyl-Dodecenoic Acid
Peak:m/z	Relative Intensity
52.29110	0.3
57.03446	0.3
59.01372	1.0
60.41800	0.2
61.98833	4.8
64.78764	0.3
67.01902	0.3
69.66972	0.9
69.67385	0.7
71.05033	0.3
90.41041	0.3
95.01395	1.1
97.06608	0.4
108.02103	0.3
111.00811	0.3
116.17879	0.3
116.26252	0.2
121.02947	0.4
123.00864	1.0
123.04511	0.4
125.06098	0.9
139.00412	0.3
153.05618	0.3
153.09219	0.3
167.06146	0.4
167.14378	0.8
181.05060	0.4
183.13878	3.4
192.97829	0.3
193.12418	0.6
204.18896	0.3
210.94937	0.8
210.98717	0.3
211.13588	19.9
211.17018	100.0
211.94672	0.4
212.13770	0.9
212.17372	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	0.5
61.98833	3.2
61.99103	0.6
68.01292	0.4
78.45467	0.4
80.02682	2.4
81.03471	2.3
82.90520	0.4
83.05028	10.0
85.02929	0.6
87.73745	0.5
93.03481	0.5
95.05055	0.9
109.06568	0.5
120.02173	0.4
121.02964	13.4
124.03999	0.4
125.06089	1.3
135.08194	1.2
136.01613	0.4
163.11296	7.7
165.12816	4.4
179.03497	0.7
181.12260	1.0
191.10773	1.6
194.05826	1.0
206.76152	0.4
209.04556	1.8
209.11826	100.0
209.94803	0.8
210.12157	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01871	2.9
57.03430	1.9
59.01373	1.1
61.98829	16.7
65.00320	0.5
66.03484	0.4
69.03444	1.1
71.01386	0.5
80.02679	2.1
81.03450	4.7
83.01385	25.3
83.05023	5.5
84.02165	1.5
85.02943	0.8
91.01877	0.8
92.99858	1.1
93.03463	1.0
94.02984	1.2
95.05043	2.4
96.96023	0.7
97.06580	3.8
98.20647	1.5
99.04480	0.5
106.04245	0.5
109.06563	0.5
121.02956	39.4
122.03258	1.2
123.08178	2.1
124.04013	1.7
125.09725	23.1
126.10063	0.9
135.08179	2.4
136.98772	0.8
137.02437	0.6
145.10144	0.5
147.05542	0.5
147.11806	1.0
161.02467	1.4
163.11287	11.3
164.98230	0.7
165.12837	4.2
167.10721	0.6
179.03503	1.3
181.12396	1.8
190.99873	0.5
191.10800	6.5
194.05829	0.9
200.50719	0.5
209.00888	0.9
209.04553	5.1
209.11819	100.0
209.94887	5.0
210.12187	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.42685	0.8
56.72957	0.7
57.03445	4.6
58.00591	0.9
59.01376	2.4
61.98829	32.0
65.00321	1.0
65.08659	0.6
66.03497	0.7
66.82915	0.7
69.03462	2.1
70.97885	1.4
71.01381	12.4
71.05025	1.1
73.02944	1.0
80.02677	1.9
81.03452	3.0
83.01382	1.5
83.05022	9.6
84.02155	1.1
85.02952	1.1
91.01868	1.2
92.99815	1.4
93.03461	2.5
94.02978	1.5
94.34399	0.6
95.01357	1.0
95.05025	2.2
97.06580	4.3
103.19347	0.6
106.46336	0.6
108.02163	1.1
109.06578	1.3
111.08139	2.3
120.02190	1.0
121.02956	63.6
122.03256	1.7
122.20582	0.7
124.04038	3.0
125.02448	0.8
125.06054	1.0
125.09715	3.7
131.58998	0.7
135.04539	0.9
135.08151	1.7
136.01631	0.7
136.98813	1.3
137.02409	1.0
137.06030	0.7
137.09717	0.8
145.10228	1.8
147.11816	1.7
151.11272	17.3
152.11635	1.2
153.12851	1.6
157.77815	0.6
161.02397	1.7
161.09715	1.0
163.11287	10.0
164.98257	1.6
165.12822	15.6
167.10776	1.4
173.09789	1.4
176.04759	0.8
178.99872	0.8
179.03479	2.8
179.10759	2.6
181.12340	22.1
182.12613	1.3
190.99850	1.4
191.10793	9.2
192.11031	0.9
194.05801	1.8
209.00903	1.7
209.04585	8.1
209.11816	100.0
209.94881	9.4
210.12123	5.2
220.73293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79026	0.3
55.48465	0.3
56.40875	0.4
59.01373	1.4
61.20092	0.3
61.98828	100.0
70.49648	0.8
91.92121	1.0
94.02981	0.6
121.02881	0.3
124.04061	1.9
128.07156	0.5
135.75618	0.3
156.93919	0.6
163.95555	0.4
166.91054	1.5
186.85582	0.4
209.94890	27.3
210.94917	1.5
211.13400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
52.44312	0.8
59.01365	1.5
59.51928	0.8
61.98824	2.0
68.03584	0.7
69.60192	5.5
71.01379	3.4
72.99310	2.4
73.02943	2.4
75.25108	0.9
78.95898	1.3
85.02934	3.3
87.00883	1.6
89.02414	0.9
91.05531	100.0
92.05856	2.9
93.03469	2.4
105.43233	0.8
117.01953	2.4
117.03449	5.4
117.68415	1.0
119.05003	3.3
121.02956	27.4
135.04526	12.4
147.04520	18.1
149.06013	2.2
151.66957	1.0
163.04010	15.1
163.07654	4.7
164.04417	0.9
165.05576	17.7
166.06047	1.1
179.03494	2.5
191.07094	4.7
194.02179	0.9
194.05847	1.8
209.04601	3.8
209.08185	88.9
209.11794	8.4
210.08543	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01366	2.3
61.98830	14.3
69.52428	5.2
69.52861	1.6
71.01371	1.4
71.05014	2.3
71.50206	1.0
73.02933	3.2
80.02665	2.3
81.03452	6.0
83.05022	26.4
84.02181	1.6
85.02967	4.4
86.25178	0.9
89.16053	1.1
90.37583	1.0
91.01847	1.2
93.03455	2.6
94.02991	1.5
95.05008	6.3
97.06586	66.9
106.04236	1.0
109.02945	3.3
109.06580	11.7
110.03754	2.3
111.04530	5.8
113.06087	7.3
120.02145	1.9
121.02953	84.7
121.06599	1.1
122.03212	1.7
123.04477	1.1
123.08141	1.4
124.04028	2.1
125.06080	1.4
135.00774	1.0
135.08157	25.4
136.05275	2.2
136.08575	1.2
137.02373	1.1
137.06093	1.9
138.06744	1.1
139.07643	8.8
151.04016	1.4
151.07617	2.5
153.09224	8.3
161.02458	1.6
163.11270	7.2
164.98267	1.0
165.05582	1.0
165.09189	22.5
165.12845	4.0
167.06102	1.2
173.09705	2.6
176.04724	1.2
179.03491	3.1
181.12347	6.6
191.10757	20.3
194.02252	4.6
194.05795	2.6
209.00954	1.0
209.04543	10.0
209.11809	100.0
209.94878	4.2
210.12091	4.6
226.03963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36492	0.6
57.03441	2.3
59.01377	100.0
61.98524	1.5
61.98825	14.5
65.00330	0.8
65.00687	0.8
67.01909	0.8
80.02671	1.2
81.03456	2.2
83.05024	1.2
85.02949	1.1
92.99811	0.9
93.03464	1.5
94.02976	1.2
95.01417	0.7
96.96020	1.6
97.06579	2.3
109.06596	2.9
121.02953	41.7
124.03992	1.0
163.11269	1.4
165.02066	0.9
165.12822	3.9
179.03429	1.8
181.05067	0.8
185.59888	0.7
194.02319	1.0
194.05774	1.0
209.00948	0.9
209.04578	6.7
209.06435	1.2
209.08427	2.7
209.11813	29.3
209.94885	4.1
210.12181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36690	1.0
53.93479	0.9
57.03448	14.2
59.01372	8.9
67.05530	1.0
69.03459	20.4
71.05008	4.8
81.03451	2.1
83.05023	7.6
85.06573	1.2
93.03462	2.3
95.05019	3.3
97.06572	5.1
108.05771	1.5
108.20535	0.9
109.06592	3.0
110.65401	0.9
111.08158	29.3
113.22919	0.9
121.02970	9.6
121.10156	1.2
135.08154	2.6
137.09648	1.4
147.11801	2.4
153.09201	5.9
155.07196	1.0
159.38759	1.0
163.11290	4.4
165.09195	2.8
165.12848	100.0
166.13181	3.4
168.38921	1.2
173.09743	1.2
181.12341	19.4
182.37593	0.9
191.10785	17.7
195.06418	1.0
209.11824	67.4
210.12192	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	209.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03447	12.9
58.00588	0.7
58.03790	0.3
59.01377	15.1
61.98827	0.7
67.01876	0.3
68.99818	1.5
71.01380	28.4
72.01717	0.4
72.99303	5.9
73.02937	0.8
75.00877	4.0
83.01387	1.9
84.02161	2.8
85.02947	100.0
86.03276	1.6
87.00865	3.2
89.02441	9.2
99.00883	0.4
101.02447	0.3
103.00373	1.7
110.41449	0.3
111.00869	0.8
115.00379	1.9
129.00964	0.4
129.01938	7.3
133.01424	10.0
136.94014	0.9
147.02986	3.0
173.00896	0.9
190.40198	0.3
191.01967	25.5
192.02255	0.7
197.13651	0.3
209.03006	23.6
210.03351	0.3
224.00658	0.2
228.92604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0302
Annotation	L-mannaric acid
Peak:m/z	Relative Intensity
54.39737	0.7
55.01869	2.5
57.03452	16.6
58.00586	0.9
59.01379	18.8
67.75574	0.7
68.99812	2.5
71.01382	29.4
71.32844	1.0
72.99304	7.6
73.02928	1.0
75.00871	25.3
77.41715	0.9
80.05056	0.6
83.01386	4.8
84.02168	4.7
85.02949	100.0
86.03284	1.8
87.00876	13.6
89.02438	10.3
97.02949	1.5
99.00865	2.5
101.02428	2.3
103.00378	1.5
104.05061	4.2
111.00867	2.2
115.00352	1.2
120.04579	0.7
121.02971	1.5
122.06139	1.3
129.01945	13.9
130.02208	0.7
133.01418	7.8
136.00357	0.7
141.02008	1.3
142.99841	2.3
143.03529	0.7
147.02965	2.7
148.04024	5.1
159.02962	2.4
165.05540	0.8
166.05081	8.8
171.10503	0.7
173.00899	0.9
173.04553	2.7
191.01988	16.4
209.03046	17.8
209.06635	23.9
210.03996	1.3
210.07066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01383	0.4
61.98816	0.4
69.58823	1.3
69.59241	0.4
71.01375	0.8
75.00824	0.3
77.03961	0.4
79.95734	0.3
85.02940	2.6
91.01891	1.7
93.03441	0.5
95.01395	0.6
103.97330	0.3
120.02162	3.4
121.02952	100.0
122.03284	2.6
123.05798	0.3
129.01927	0.3
136.01663	1.5
151.04071	0.4
161.02455	0.7
171.86896	0.3
176.04770	0.6
179.03508	1.1
181.05099	0.4
191.01976	0.5
194.05872	1.6
209.04556	12.0
209.08188	0.7
209.11824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.14326	0.8
56.35541	0.8
58.02974	69.7
61.98854	0.8
62.62507	0.7
70.02975	11.9
70.18986	3.1
72.00918	5.1
88.04036	1.5
91.05001	1.3
91.05534	13.5
95.14691	0.7
98.19975	1.0
103.05531	2.3
135.04546	1.3
147.04521	34.7
148.04895	1.2
162.09254	1.1
164.07162	100.0
165.07457	3.3
192.04344	0.9
206.08214	35.9
207.08499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	1.6
59.01377	2.1
70.02989	0.6
70.03606	1.0
71.01382	0.4
72.00910	0.2
75.39174	0.2
88.04042	100.0
89.04382	1.2
91.05529	0.8
98.20692	0.3
135.04500	1.0
147.04523	1.6
164.07166	3.9
166.17564	0.3
186.91119	0.2
191.87329	0.2
192.04286	0.3
192.65988	0.2
206.08212	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08335	0.1
61.98829	100.0
63.99259	0.2
69.19503	0.1
70.24323	0.6
94.03037	0.1
111.12240	0.1
138.96227	0.1
162.98456	1.4
164.96429	0.2
177.01935	0.5
192.04305	0.2
206.97435	7.2
207.06648	0.2
207.97473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0508
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
54.71978	0.8
55.01868	2.6
57.03427	1.5
58.00589	6.5
58.58592	0.8
59.01379	32.2
63.70767	0.9
67.01884	0.9
69.03447	2.1
70.91965	1.9
70.92291	1.1
71.01378	25.7
72.99303	43.6
73.02940	6.4
83.01384	5.7
84.02135	1.0
85.02944	9.5
87.00894	5.7
89.02438	14.3
95.01375	6.4
97.02942	1.0
99.00879	5.6
101.02435	1.6
101.99575	1.6
113.02445	7.3
113.03587	1.6
115.00359	1.8
115.04014	2.1
117.01937	100.0
117.05607	1.8
118.02271	1.7
129.01955	1.3
131.03566	1.7
131.04620	5.1
133.01410	5.8
146.95198	2.3
149.04510	0.9
171.03079	1.6
174.15410	1.0
189.04031	8.3
206.95447	2.5
207.05112	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	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01365	0.2
60.66423	0.1
61.98821	0.2
63.94862	0.1
65.69015	0.1
66.26068	0.1
70.91723	0.1
71.01390	0.1
72.99290	0.2
75.00890	0.1
87.00778	0.1
110.74793	0.1
111.00867	0.3
111.01580	0.1
115.00360	0.1
115.96726	0.1
125.02470	0.1
133.02913	0.1
189.12827	2.2
190.13185	0.1
205.15961	100.0
206.16302	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	34.6
67.81713	0.6
69.39162	5.5
70.02979	13.5
72.00915	6.7
74.13266	0.6
74.32734	0.6
89.12050	0.6
91.05531	14.0
95.55313	0.6
103.05545	2.3
135.04498	0.7
142.32111	0.7
147.04524	38.2
148.04874	1.0
162.09265	0.9
164.07166	100.0
165.07507	3.8
206.08215	35.0
207.08578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69814	0.1
59.01380	5.7
60.01712	2.6
61.01818	0.8
61.98829	100.0
62.99258	0.1
70.79234	0.2
70.79556	0.1
75.46506	0.1
92.43931	0.1
92.75197	0.1
124.40279	0.1
160.03712	0.5
162.01604	0.1
192.97423	0.1
201.11130	0.1
203.99979	0.5
204.02649	0.8
205.02934	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
60.01710	1.4
61.01811	0.4
61.98828	100.0
65.61602	0.1
69.75874	0.4
69.76273	0.3
71.01382	0.2
72.99339	0.1
87.75741	0.1
98.20578	0.2
111.00891	0.2
115.00331	0.2
143.86514	0.2
153.30875	0.1
160.03851	0.2
204.00037	0.6
204.02884	0.4
205.16028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.13734	0.9
55.01868	1.8
57.03439	3.0
59.01366	2.6
67.01857	1.0
69.21696	0.8
69.77491	3.6
71.01386	5.6
71.05028	10.9
72.99299	1.5
73.02945	2.9
75.00889	1.6
81.03467	3.7
83.01382	4.8
84.02166	6.1
85.02954	6.2
87.00875	4.4
97.02900	1.4
98.19921	1.0
99.00857	1.8
99.04517	40.3
101.02440	46.6
111.00882	6.9
115.00365	1.7
115.04013	21.9
117.05553	1.7
121.16914	1.0
125.02446	100.0
126.02763	3.8
129.01903	1.1
143.03514	15.8
145.01422	49.0
161.04497	1.2
172.72868	1.0
187.02452	27.2
200.84552	1.1
205.03513	38.9
205.05434	2.3
215.35791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90083	0.6
59.01379	100.0
60.01706	3.8
61.01791	0.7
66.03493	0.6
67.00245	0.6
69.39536	4.5
71.01379	0.7
87.00838	0.6
94.99306	3.3
99.92585	99.5
100.92603	4.4
102.92345	1.9
103.92041	6.1
104.97742	34.7
115.92073	1.8
116.92868	2.1
130.94363	1.9
132.98192	1.3
141.86816	69.2
141.93634	89.9
142.93675	3.9
148.95425	2.0
158.03729	1.1
159.03317	1.0
159.87875	16.7
159.89246	1.7
160.89363	0.8
160.97687	1.6
164.83604	2.5
174.93309	0.7
174.94650	1.0
174.99223	3.5
199.38589	0.6
201.80083	0.9
201.95795	6.4
202.02699	2.6
202.08728	1.0
202.94142	28.0
202.98720	1.2
203.02176	1.1
203.05434	0.8
203.61139	0.6
212.06436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.70995	0.8
59.01380	18.0
61.98831	2.2
69.03438	2.7
70.15680	1.9
70.16060	2.1
71.01384	3.1
72.00908	26.1
73.02936	0.9
74.02473	32.8
75.00889	1.1
79.01891	0.9
85.02953	1.2
86.09594	0.8
97.02924	4.2
97.06596	1.8
99.08181	1.0
103.92038	5.3
104.97746	2.0
116.05061	100.0
117.05368	4.0
129.01906	0.8
130.06580	1.8
132.08177	1.1
141.01967	1.9
142.06621	24.8
143.07033	2.9
148.95442	1.9
159.04468	1.1
159.07983	1.1
159.09273	18.1
160.04044	2.6
161.04832	1.7
161.08176	1.1
175.06438	0.8
185.04520	2.8
186.05598	4.1
202.94234	1.1
202.99988	0.9
203.01906	2.7
203.08258	57.6
204.08571	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	201.0404
Annotation	cis-(Homo)2-aconitate
Peak:m/z	Relative Intensity
55.01879	1.2
57.03446	5.9
58.00587	2.5
59.01377	29.3
60.01687	0.6
63.05590	0.4
63.35611	0.4
70.52083	0.8
70.52439	1.0
71.01380	27.2
72.01770	0.6
72.68975	0.4
76.85032	0.4
81.03445	1.3
83.01399	0.6
83.05022	8.0
83.05484	0.6
85.02946	52.8
85.06588	2.2
86.03275	0.9
95.05024	13.1
97.02978	0.7
97.72395	0.4
98.00099	0.5
101.02448	1.0
111.04516	7.8
113.06086	93.8
114.06397	2.7
117.85784	0.4
127.04008	3.9
129.01932	1.0
129.05580	13.5
139.04016	6.7
140.04356	0.4
140.07117	0.4
141.01935	2.2
155.03503	2.9
157.05054	12.5
158.05455	0.4
173.04533	28.6
174.04951	1.0
183.02977	3.5
201.04031	100.0
202.04390	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	201.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.9
59.01376	29.0
59.79186	1.0
63.56948	1.0
69.58228	4.4
69.58640	2.6
71.01379	19.6
83.05028	4.1
85.02945	34.4
85.06565	1.6
94.17828	0.9
95.05022	9.0
97.02949	1.0
101.02473	1.2
111.04515	5.7
113.06087	80.2
113.10568	1.0
114.06423	1.7
127.03980	1.6
129.05545	8.5
139.03967	5.9
141.01961	1.5
146.19858	1.1
155.03488	1.8
157.05042	11.7
173.04552	25.5
174.04953	1.1
183.02991	1.8
191.98903	1.0
201.04041	100.0
202.04402	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	201.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24516	1.6
57.03461	6.9
58.00574	1.9
59.01377	31.2
69.03429	1.4
71.01380	31.6
71.06097	1.3
71.06440	2.8
81.03437	2.1
83.01389	1.3
83.05019	6.8
85.02452	2.9
85.02953	56.7
85.06576	2.3
95.05026	13.1
101.02473	2.2
103.92011	5.9
111.04501	7.9
113.06089	100.0
114.06381	1.7
127.03954	3.5
129.05595	12.1
139.03081	1.4
139.03961	8.7
141.01971	2.4
146.97491	1.6
155.03513	2.7
157.05054	13.1
173.04541	24.4
183.03001	1.8
196.76326	1.6
201.04042	98.8
202.04353	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02102	0.3
59.01380	100.0
60.01718	0.8
70.79044	0.8
82.59348	0.3
98.07454	0.3
98.16148	0.3
157.03561	6.3
159.01480	1.3
168.44257	0.3
201.02545	10.5
202.02684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0405
Annotation	cis-(Homo)2-aconitate
Peak:m/z	Relative Intensity
54.03749	0.9
55.01863	1.4
57.03451	6.8
58.00588	2.7
58.02981	1.2
59.01379	35.0
65.52740	1.1
67.83965	1.2
69.03444	1.3
71.01004	2.2
71.01383	30.5
71.33744	2.2
81.03453	2.1
83.01382	2.3
83.05032	6.7
85.02952	56.6
85.06589	2.2
87.04517	3.0
93.03489	1.3
95.05036	11.0
97.02972	1.5
99.92594	1.1
111.04525	8.6
113.06087	99.4
114.06393	2.8
125.09721	2.1
127.04007	3.5
127.11272	2.2
129.01926	1.2
129.05565	15.8
139.04008	6.8
141.01906	1.7
147.86128	1.2
155.03482	4.1
155.10776	1.4
157.05048	12.3
157.64139	1.1
173.04561	25.9
173.05991	2.3
183.02948	2.6
199.35609	1.2
201.04028	100.0
201.11317	25.6
202.04333	2.6
202.11612	1.2
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
56.44025	0.3
59.01394	0.9
61.98829	0.7
62.99436	0.4
67.01852	0.4
69.15644	3.0
69.16064	1.0
72.05119	0.4
80.24848	0.4
81.03461	1.1
83.05038	0.6
93.03462	0.5
99.00875	0.8
109.41279	0.4
111.00854	0.4
111.04522	2.6
127.04020	4.0
135.08163	0.6
137.09723	6.2
155.03488	1.2
155.10776	100.0
156.11067	3.1
181.08728	0.6
199.02440	0.6
199.07857	0.6
199.09720	6.5
199.13368	1.5
199.17055	1.0
201.86015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1338
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.02863	0.7
55.01865	1.3
57.03443	0.8
59.01373	1.3
61.98825	6.4
62.70095	0.6
65.00338	0.6
67.01881	2.5
68.99815	1.3
69.03468	0.7
71.05009	2.7
81.03455	2.2
83.01383	1.7
83.05016	1.7
85.02947	1.1
92.99810	3.2
93.03461	1.5
99.00870	3.3
99.08164	2.8
109.02977	0.8
110.18305	0.6
111.00886	3.2
111.04491	5.8
122.57247	0.6
125.09728	1.8
127.00369	1.5
127.04003	7.4
127.11274	4.1
136.98827	0.9
137.09688	0.7
139.11249	0.7
141.12851	1.7
153.12866	1.3
155.03513	3.6
155.10764	3.8
155.14435	0.8
156.89462	1.1
162.83932	5.7
164.83653	4.1
169.12321	6.1
181.12280	3.9
197.11826	2.4
198.90698	0.9
198.98865	1.2
199.02406	0.9
199.04074	1.4
199.13387	100.0
199.17058	8.2
199.80499	4.1
200.13741	4.3
200.17372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0247
Annotation	(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate
Peak:m/z	Relative Intensity
54.63364	0.7
55.01860	0.7
55.83279	0.6
59.01382	9.1
65.88642	0.7
71.39247	1.0
71.39578	0.7
77.32568	0.6
81.03456	20.8
83.01382	0.8
83.05023	14.2
93.03446	7.0
109.02952	7.5
111.04519	74.8
112.04836	1.8
122.00076	0.6
127.04012	100.0
128.04352	2.0
134.06494	0.7
137.02434	8.0
155.03499	34.0
156.03899	1.5
199.02478	3.4
199.05980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0247
Annotation	(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate
Peak:m/z	Relative Intensity
59.01377	8.9
65.03936	0.8
69.73748	4.4
81.03456	23.9
83.01402	2.0
83.05025	12.9
93.03460	8.3
107.50933	0.8
109.02958	6.2
111.04517	78.9
112.04844	2.5
127.04008	100.0
128.04344	2.6
130.17326	0.9
137.02419	6.3
137.88800	0.8
155.03499	37.3
156.03889	1.1
158.11774	1.1
178.07135	0.8
190.66434	0.9
199.02496	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	197.1546
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
56.59528	0.7
57.03439	4.7
59.01365	1.1
61.98829	11.3
65.00304	0.9
68.99577	1.2
69.03450	1.8
70.51750	2.1
71.05009	1.1
71.82494	0.7
80.02683	1.8
81.03465	2.8
82.02946	1.0
83.05031	11.1
93.03451	1.0
95.01385	2.0
95.05027	5.4
97.06587	28.1
103.97666	2.1
109.02944	2.2
109.06572	3.0
111.08160	24.7
112.01653	0.9
116.92924	1.0
119.85538	0.8
121.02959	2.7
121.98788	0.7
123.00889	10.1
123.08194	1.5
125.02459	1.1
126.90530	5.4
130.99236	0.8
135.08151	1.6
137.02469	0.8
137.09680	1.7
138.03242	3.1
147.11757	4.0
149.09691	2.0
153.01920	1.5
153.05563	2.2
153.09196	0.9
153.12859	2.0
160.84209	11.0
161.84314	0.8
162.83917	25.2
163.11272	8.6
165.12840	100.0
166.13205	4.6
166.99857	6.8
169.12326	1.2
178.99924	2.9
182.02211	17.2
182.05841	2.3
183.02571	0.7
197.04648	3.7
197.06114	1.1
197.08165	1.3
197.11821	6.3
197.15472	3.1
197.80797	17.5
209.11789	5.9
213.32700	0.7
218.97163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
55.01870	9.0
57.03449	8.6
57.99094	1.8
58.00587	2.9
59.01379	38.5
61.39036	1.8
69.03456	21.2
69.63647	11.8
69.63983	2.9
71.01382	53.4
72.99302	6.0
73.02943	43.9
75.00860	2.3
79.01884	5.7
81.03451	5.0
81.92810	1.9
83.01383	31.3
84.02200	2.0
85.02952	68.8
86.00092	7.3
87.00330	2.5
87.00874	50.6
89.02467	2.5
95.01375	11.1
97.02946	31.1
99.00883	42.7
99.04517	1.9
101.02443	56.9
103.69890	1.9
107.01393	2.9
111.00870	7.8
112.01659	2.1
113.02479	14.5
115.04027	3.4
117.01949	2.3
123.00885	5.2
124.01656	3.9
125.02445	23.9
131.03476	6.8
138.53189	2.1
140.01146	4.3
141.01929	16.7
141.18591	1.7
141.29163	1.8
142.02750	3.3
155.03488	8.2
159.02988	3.6
161.04552	100.0
162.04898	2.7
175.06152	9.1
191.05618	3.9
193.07170	63.5
194.07553	2.4
198.67552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0717
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
54.40374	1.4
55.01866	6.8
57.03436	7.7
58.00589	2.9
59.01379	35.9
64.62793	1.7
69.03455	18.8
71.01381	49.3
71.37154	2.6
72.09921	1.6
72.99286	5.5
73.02548	3.1
73.02945	39.3
79.01885	3.7
81.03461	6.4
83.01386	23.3
84.02171	2.0
85.02948	63.8
86.00088	7.8
87.00876	47.3
89.02428	3.9
95.01384	10.0
97.02948	25.6
99.00881	38.3
101.02441	56.0
102.57303	2.0
107.01379	2.2
111.00877	6.6
112.01648	2.9
113.02460	15.2
115.03999	2.5
116.03543	1.8
117.01922	2.5
123.00887	5.5
125.02452	24.8
127.03963	1.9
129.01932	2.7
134.03760	3.1
140.01117	4.1
141.01918	19.5
142.02669	3.5
155.03493	9.8
159.02988	4.6
161.04550	100.0
173.04607	1.8
175.06111	5.6
178.02602	3.2
191.05577	2.2
193.05374	3.5
193.07158	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
57.03448	2.5
58.00593	15.9
59.01385	12.5
61.01785	1.3
61.98820	2.8
66.03496	1.1
69.03429	1.4
70.98019	3.0
71.01387	4.9
72.99312	2.4
73.02942	1.5
75.00878	23.1
80.96529	4.0
81.03493	1.3
83.01400	1.9
85.02956	5.6
87.00890	4.8
89.01300	2.0
89.02473	1.9
93.03455	4.4
95.01408	2.2
96.95985	1.2
97.02950	2.2
99.00906	4.4
99.03362	1.3
99.35732	1.1
101.02457	3.1
103.02869	2.3
107.05034	26.7
108.02181	6.3
108.04565	5.7
108.05244	1.2
109.02978	2.5
111.00874	2.1
113.02467	1.6
116.84750	1.1
121.02961	47.5
122.03763	23.1
123.00904	2.1
123.04533	5.8
124.01672	3.0
129.01968	6.5
133.03018	2.4
133.96172	1.3
135.04533	2.4
136.01596	1.4
136.05292	3.5
137.02473	9.2
137.06027	1.7
141.01942	1.9
149.02370	1.6
150.03230	21.8
151.04022	23.1
151.05115	2.3
151.07648	2.2
152.03539	1.4
152.91782	2.0
154.02740	2.7
159.03017	2.5
161.04578	1.4
162.03249	2.2
163.03854	2.6
163.05028	4.2
165.01923	20.9
165.05576	16.3
177.04105	1.9
180.04288	100.0
181.04623	4.7
195.03021	6.6
195.05046	12.2
195.06645	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01873	0.4
57.03423	0.4
59.01362	0.3
61.98830	6.1
64.16465	0.3
65.00331	0.6
68.99586	0.3
69.03459	1.1
70.99265	0.8
71.05013	0.9
75.00809	0.4
81.03479	0.6
93.03421	0.4
95.01385	1.4
95.05026	0.6
97.06586	15.8
99.08152	4.8
108.39568	0.4
109.02962	1.1
109.06588	1.1
111.08173	0.5
116.92878	0.8
121.02939	1.3
122.03764	2.8
123.00883	5.0
123.04514	0.7
125.02414	1.0
125.09756	0.8
126.03199	0.9
126.90479	2.3
137.02454	0.9
137.09743	1.8
138.03220	1.3
151.11293	1.4
153.01956	0.7
153.05557	1.1
153.12848	100.0
154.13182	4.3
155.60423	0.4
160.84207	6.2
162.83904	19.5
166.99828	3.9
178.99847	0.8
179.10768	21.9
180.11115	1.1
182.02217	7.1
182.05826	0.9
197.02074	1.3
197.04625	1.7
197.08200	0.7
197.10014	0.5
197.11809	9.5
197.15514	1.0
197.80803	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.97520	0.3
54.39867	0.3
59.01353	1.0
61.98830	3.9
62.99722	0.3
65.00330	0.4
66.19897	0.3
69.03455	2.5
71.01377	0.5
76.40764	0.3
81.03442	0.5
83.05038	1.5
95.01375	1.2
97.06557	0.6
99.91232	0.3
103.97668	0.6
109.02958	0.7
116.92851	0.4
121.02979	1.4
123.00864	3.8
123.08121	0.6
125.02438	0.6
125.09740	0.4
126.90508	2.4
137.02443	0.7
138.03189	0.8
141.09169	1.3
151.11266	0.7
153.01962	0.6
153.05568	0.9
153.09244	2.1
153.12843	4.9
160.84215	5.5
161.84290	0.4
162.83902	15.0
166.99825	2.5
169.12337	18.9
170.12633	1.0
178.99828	1.2
179.10759	2.1
182.02205	5.9
182.05800	0.7
185.19566	0.3
196.81096	0.4
196.91190	0.6
197.04556	1.5
197.11818	100.0
197.72855	0.3
197.80782	7.4
198.07671	0.3
198.12143	4.3
214.98003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03444	1.5
58.00593	0.4
59.01378	4.8
62.48633	0.3
69.03456	3.7
69.50200	1.3
69.50625	1.1
71.01382	7.6
72.99303	0.6
73.02946	8.4
75.00866	0.7
79.01893	0.8
81.03474	1.2
81.15427	0.3
83.01394	3.4
84.02142	0.4
85.02951	9.8
85.03471	0.7
86.00095	1.3
87.00873	7.1
87.05954	0.3
89.02461	0.7
89.03972	4.1
93.03461	0.6
95.01374	1.9
97.02958	3.8
98.20619	0.7
99.00255	0.7
99.00876	7.3
101.02440	10.2
106.04246	1.5
108.02177	0.4
111.00854	1.1
112.01689	0.6
113.02454	2.1
117.03471	8.3
121.02985	1.0
121.06592	0.7
123.00885	0.8
125.02446	3.9
133.02962	1.6
134.03738	100.0
135.04100	2.9
137.02443	5.4
137.06067	0.5
139.04004	1.5
140.01146	0.9
141.01955	3.0
142.02701	0.4
149.06091	6.7
150.03281	0.4
153.08345	0.3
155.03532	1.8
161.04543	15.6
162.04878	0.5
175.06119	0.8
178.02710	16.4
179.03009	0.4
191.05623	0.5
193.01411	0.7
193.05064	14.3
193.07161	9.5
194.05305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
53.14697	0.2
57.03447	6.3
59.01363	0.8
67.01889	3.4
69.89326	1.3
85.02949	30.4
86.03306	0.7
87.00874	50.0
88.01209	0.5
90.23059	0.3
98.19973	0.3
101.02456	0.6
103.04006	0.4
105.45881	0.3
111.00880	100.0
112.01227	2.4
129.01935	5.3
129.42400	0.3
130.99889	0.8
131.03662	0.2
147.02975	0.5
154.99844	0.9
173.00916	1.2
191.01965	8.4
191.05627	0.5
192.02264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04193	0.3
57.03440	0.3
57.11289	0.3
59.01374	0.7
68.51295	0.2
69.03448	0.5
71.01378	1.5
71.28426	0.4
71.28746	0.5
73.02938	0.9
76.24610	0.3
83.01371	0.6
85.02945	1.4
87.00877	1.4
89.03968	4.7
95.01375	0.4
97.02947	0.8
98.15591	0.3
99.00900	1.4
101.02435	1.8
106.04230	1.0
111.00846	0.5
113.02444	0.4
117.03456	9.8
121.02913	0.9
123.00921	0.3
125.02358	0.6
133.02954	1.9
134.03734	100.0
135.04073	3.9
137.02428	5.1
139.03995	1.3
141.01923	0.3
145.55507	0.3
149.06073	7.8
150.03203	0.6
150.06401	0.5
155.03517	0.4
161.04562	2.7
178.02698	17.1
179.03011	0.5
193.05055	14.2
193.07097	1.8
194.05367	0.6
198.75249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03446	0.7
59.01373	2.3
59.40672	0.2
59.75002	0.3
64.09367	0.3
69.03455	1.3
71.01381	3.2
71.24078	0.4
73.02938	2.6
79.01900	0.3
81.03437	0.4
83.01379	1.6
85.02950	4.6
86.00114	0.3
87.00870	2.8
88.39747	0.3
89.02443	0.3
89.03976	3.7
93.03426	0.4
95.01376	0.8
97.02944	1.9
99.00882	2.8
101.02444	4.1
106.04234	1.3
107.33980	0.3
111.00879	0.6
113.02470	0.8
117.03466	7.8
121.02942	1.3
123.00895	0.3
125.02453	1.6
133.02966	2.4
134.03741	100.0
135.04077	3.6
137.02441	6.7
137.06087	0.3
137.13916	0.2
139.04013	1.8
140.01189	0.4
141.01958	1.3
149.06087	9.8
150.03218	0.8
150.06459	0.4
155.03522	0.8
161.04533	5.9
172.70267	0.3
178.02708	20.9
179.03047	0.7
193.05060	14.0
193.07141	3.4
194.05408	0.6
203.00122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03445	0.2
59.01371	1.4
67.01868	0.2
69.03455	0.8
71.01376	2.1
72.99296	0.3
73.02940	1.7
83.01416	1.2
85.02957	2.1
86.00129	0.3
87.00874	1.8
89.03966	3.3
95.01389	0.5
97.02950	1.0
98.20701	0.4
99.00879	1.9
99.76801	0.2
101.02435	2.5
106.04255	0.8
113.02407	0.5
117.03460	4.5
117.93439	0.2
118.25697	0.2
125.02438	0.8
133.02934	0.2
134.03738	100.0
135.04057	3.0
137.02425	0.6
139.04025	0.2
141.01910	0.4
149.06102	1.4
155.03528	0.5
161.04552	3.2
178.02727	1.9
189.56519	0.2
193.05064	5.0
193.07169	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.8
59.01382	1.0
67.01889	3.6
70.38174	0.6
72.99313	0.6
73.02942	0.6
78.95929	0.2
82.11828	0.2
83.01394	0.2
85.02951	30.7
86.03277	0.6
87.00877	49.2
88.01203	0.6
99.00812	0.2
101.02454	0.6
103.00359	1.6
103.03999	0.6
111.00881	100.0
112.01215	2.2
117.01922	0.4
127.04080	0.2
129.01949	5.4
130.02248	0.2
130.99854	0.6
147.02968	0.5
154.99812	0.9
173.00916	1.8
174.03973	0.2
191.01962	8.5
191.05588	1.9
192.02301	0.2
201.28633	0.2
202.34283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.6
59.01343	0.6
67.01895	3.7
70.88347	1.0
70.88681	0.7
71.24202	0.6
73.81224	0.8
82.46243	0.6
85.02949	28.2
87.00875	48.6
88.01249	0.6
111.00878	100.0
112.01218	2.5
119.49574	0.6
129.01923	6.4
130.99828	0.6
155.02956	0.6
155.70308	0.6
173.00899	1.5
180.50079	0.7
191.01952	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.2
59.01365	1.2
65.55048	0.3
67.01886	3.8
70.63753	0.8
71.01366	0.4
85.02950	28.9
86.03299	0.9
86.31304	0.3
87.00875	48.7
88.01180	0.6
89.62188	0.3
89.95842	0.3
101.02447	0.7
103.03984	0.3
111.00881	100.0
112.01221	2.3
129.01944	5.1
130.99860	0.8
147.02943	0.5
154.99855	0.6
173.00883	1.8
191.01962	8.8
191.05602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54815	0.4
55.13993	0.5
57.03436	0.5
58.02967	1.4
59.01374	3.7
65.00269	0.5
67.01883	1.4
71.01367	0.6
71.05021	1.9
71.39835	0.5
71.49809	0.8
71.57619	0.4
72.04527	0.6
72.99294	1.3
73.02939	0.6
73.63900	0.5
75.61455	0.5
81.03449	6.0
83.01395	1.1
85.02933	1.1
86.95958	0.5
87.04483	0.7
88.04012	0.6
89.61395	0.4
97.02982	0.5
97.06584	0.6
98.02457	0.8
99.00869	0.8
99.04514	43.1
100.04800	0.6
100.07686	1.6
101.07245	0.5
102.05608	6.7
113.02433	3.4
113.90345	0.6
115.04005	7.1
115.05517	1.3
116.03529	0.5
116.86326	0.4
125.02442	100.0
125.09732	0.5
126.02774	3.0
126.05581	0.7
127.03952	0.4
128.03531	6.3
142.05119	0.7
143.03499	9.3
144.03012	0.8
144.06660	1.4
157.01485	0.8
169.01505	0.6
170.04575	0.6
187.02449	11.1
187.04071	0.9
187.06099	1.5
188.05675	1.9
209.33182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02979	77.4
70.80083	1.4
71.03309	0.7
86.09618	0.5
91.05524	4.2
96.96027	1.5
101.03978	1.9
108.21862	0.4
116.05073	1.3
116.05843	0.8
117.03469	100.0
117.07096	10.7
118.03836	3.4
118.06633	20.6
119.05028	1.6
119.06975	0.7
122.32223	0.5
129.05600	1.0
142.06628	0.6
144.08189	26.4
145.06583	1.0
145.08534	0.9
146.06123	1.8
160.07693	2.7
168.06297	1.0
173.04820	0.7
185.31958	0.4
188.07141	11.1
189.07689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
56.76979	0.3
61.21151	0.3
63.06728	0.3
64.18565	0.3
75.60368	0.3
88.48627	0.3
183.02982	1.2
183.13892	100.0
184.14212	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	186.056
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
52.81674	0.2
59.31348	0.1
69.92556	0.6
74.99280	0.1
83.01388	0.4
84.70774	0.1
95.53783	0.1
111.00869	0.5
115.05526	1.1
116.05064	1.9
125.09757	0.3
132.77606	0.1
140.05069	0.4
142.06619	100.0
143.06960	3.6
158.06042	0.3
186.05571	1.5
187.04018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68116	0.5
55.01862	1.3
57.03436	1.3
58.02981	1.9
59.01379	17.7
67.01879	1.7
67.54346	0.5
68.99800	1.7
69.03443	1.0
70.00121	0.5
70.60108	0.6
71.01379	2.3
71.05025	5.0
71.25663	0.7
71.49437	0.7
72.99306	2.9
73.02930	1.5
81.03459	7.6
83.01392	4.0
83.05020	3.8
84.02160	1.1
85.02962	1.4
85.06615	0.6
87.00863	1.0
87.92536	3.4
87.93015	0.5
88.80671	0.6
88.98786	0.7
95.05035	0.8
96.99329	0.8
97.02969	1.1
97.06593	6.7
98.00137	0.7
98.02484	1.1
99.00887	2.4
99.04518	45.3
99.08171	2.0
100.04053	1.1
100.04857	1.0
100.07677	1.4
101.02476	0.6
102.05605	10.9
103.92048	1.9
110.15785	0.5
111.00893	4.2
111.04496	1.1
113.02445	2.8
113.06047	0.7
115.04014	12.1
115.05553	3.9
116.03545	1.9
125.02449	100.0
125.06079	31.4
125.09754	1.1
126.02784	2.5
126.05616	1.0
126.06460	0.7
127.04015	2.9
128.01134	1.7
128.03534	9.3
141.05557	1.2
142.99881	2.4
143.03494	9.7
143.07146	14.3
144.03040	2.2
144.06613	2.9
146.04579	1.4
152.69324	0.6
155.03468	0.7
157.01454	2.3
168.88931	1.1
169.01471	0.6
169.05090	2.3
170.04567	1.9
187.02498	12.0
187.04031	1.7
187.06090	10.1
188.05664	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	183.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12779	0.3
59.01377	0.5
60.99297	0.3
61.27088	0.3
65.00317	1.0
67.01894	1.6
68.99809	1.0
69.56300	2.0
71.01396	1.6
71.63977	0.3
72.99301	1.2
76.74718	0.4
78.01066	0.5
82.00616	0.6
83.01389	1.4
87.00897	0.4
95.01386	1.2
96.99294	0.4
97.02892	0.3
98.15726	0.4
98.20589	0.4
98.35984	0.3
98.68452	0.3
99.00871	0.5
106.00612	0.4
110.00078	1.4
111.00885	9.2
111.01653	0.5
111.04494	0.4
112.98750	0.3
113.45625	0.3
123.00868	1.2
124.01649	6.6
124.04124	0.3
124.05301	0.3
124.98792	0.6
125.02522	0.3
125.99586	0.3
127.00385	3.7
136.98807	6.7
137.02411	0.4
137.06065	0.4
137.35445	0.3
139.00374	9.0
139.04033	0.6
139.07613	0.7
139.11281	0.4
140.01158	14.0
151.00414	0.5
152.98387	0.4
154.99870	1.4
159.82539	0.3
165.01863	0.4
168.00638	17.9
169.01050	0.7
183.02975	100.0
183.10262	2.3
183.13866	0.6
184.03288	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	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
64.62733	0.3
65.00316	0.8
67.01884	1.3
68.99813	0.9
69.31789	1.3
69.32213	0.8
71.01378	1.2
72.99303	1.0
82.00596	0.7
82.30223	0.2
83.01360	1.3
87.00877	0.5
87.27639	0.3
95.01388	1.2
96.99313	0.4
97.06677	0.3
98.19798	0.5
99.00879	0.5
110.00092	1.8
111.00877	9.4
119.17445	0.2
123.00909	1.3
124.01653	7.1
124.98812	0.3
127.00385	3.2
136.98793	6.0
139.00371	8.3
139.04022	0.3
139.11266	0.2
140.01152	13.8
145.01337	0.3
151.00356	0.8
152.98453	0.3
154.99878	1.0
168.00632	17.5
169.00964	0.6
183.02972	100.0
183.10245	0.7
183.13969	0.4
184.03346	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.64086	0.3
69.48341	0.6
69.48751	1.6
83.81730	0.2
88.13712	0.3
94.89043	0.3
98.19917	0.7
116.94423	0.3
140.01106	0.4
151.44991	0.3
168.00548	0.5
183.02953	1.9
183.13890	100.0
184.14218	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	183.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33732	0.3
61.47758	0.3
69.29476	2.6
73.56999	0.3
98.19886	0.6
110.68819	0.3
111.00861	0.6
111.26621	0.3
124.01688	0.7
136.98822	0.4
139.00352	0.7
140.01132	0.7
168.00656	0.7
183.02979	6.9
183.13892	100.0
184.14246	3.7
186.98366	0.4
190.42529	0.3
193.32870	0.3
195.57672	0.3
203.01514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0459
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
57.72599	0.4
59.01384	0.8
61.98828	5.8
66.03458	0.5
69.03457	0.6
69.37883	1.3
69.38306	1.4
69.83324	0.3
71.01383	0.8
78.03485	0.5
78.95892	0.4
79.95747	1.3
80.05072	0.6
81.03477	0.4
82.02938	0.4
83.05013	0.8
85.02947	0.6
86.52206	0.3
92.05063	4.6
93.03470	0.3
94.02968	2.6
95.01403	0.9
95.05017	0.6
96.04536	0.9
96.96032	2.3
108.04553	57.1
109.04887	1.3
109.85344	0.3
110.02465	0.6
110.06123	1.3
111.00867	0.5
111.04486	0.6
118.37763	0.4
120.03784	0.5
120.04559	6.0
122.02480	1.3
123.00880	1.4
123.03263	0.8
124.01650	0.4
136.04013	0.9
136.98659	0.4
138.05605	100.0
139.05963	2.7
139.07599	0.4
144.95024	0.4
152.03554	1.7
166.99832	0.5
167.03021	0.5
168.00626	1.1
170.17851	0.3
182.04561	23.7
182.08083	0.7
182.93034	1.0
183.03073	2.8
183.04726	0.6
183.13950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0046
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
50.00331	0.5
51.02361	0.6
57.03444	0.7
59.01378	0.8
61.98820	1.1
64.01906	0.5
65.00315	0.7
67.01888	3.0
68.99811	1.6
69.03448	1.6
70.89397	1.1
71.01372	0.5
83.01373	0.8
95.01386	11.0
96.99274	0.5
97.02956	1.0
105.57292	0.4
106.85611	0.3
108.00888	0.6
109.01668	0.6
111.00868	3.7
111.04529	0.7
112.04054	0.5
112.98569	0.5
121.06606	0.5
123.00880	22.5
123.04493	0.6
124.01636	1.3
125.01179	1.7
127.00416	0.6
136.98778	1.3
137.01208	1.0
137.02362	0.5
139.00389	2.7
139.04015	0.7
139.07646	0.7
139.11269	1.3
140.01167	3.3
152.98256	0.8
153.00676	20.1
154.01038	0.7
154.99748	0.4
164.98369	0.5
165.01917	1.0
168.00650	3.6
183.00468	100.0
183.02879	20.4
183.10260	2.9
183.13858	3.9
184.00906	2.4
184.03346	0.5
184.06183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03437	0.6
59.01376	3.2
63.02394	0.4
69.03454	0.9
70.49564	0.6
70.49936	0.5
71.01379	4.1
72.99328	0.6
73.02947	1.5
75.00888	2.2
79.01903	0.5
79.05550	0.3
83.01371	1.6
85.02951	3.8
87.00873	15.8
89.02453	1.5
90.98559	0.4
91.05518	1.1
93.03490	0.7
94.06604	0.5
95.01390	0.7
95.04987	0.4
97.02962	1.5
99.00880	3.8
100.67313	0.2
101.02428	2.0
106.04276	0.5
107.01395	0.7
107.05023	2.8
108.02180	0.6
109.02953	0.9
111.21895	0.3
113.02443	1.0
117.01935	2.2
117.03455	1.0
121.02881	0.5
123.00925	0.4
123.04546	0.4
125.02433	2.3
129.01976	0.3
134.03749	6.8
135.04521	100.0
136.01591	0.3
136.04846	2.3
136.07649	0.3
137.02408	0.5
141.01949	1.2
143.03487	0.4
146.03743	1.9
149.02441	0.8
151.00380	0.7
151.03970	1.0
159.03078	0.4
161.04541	9.2
161.05927	0.4
161.09660	0.4
164.01166	2.4
164.04765	2.1
179.00130	0.5
179.03497	15.0
179.05603	9.5
179.07071	1.1
179.10748	0.7
180.03970	0.5
182.82791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
57.03441	0.7
57.04082	0.4
58.00584	0.8
59.01382	13.2
60.42524	0.3
63.96009	0.3
66.39610	0.3
68.99823	0.6
69.03464	0.5
70.24316	1.5
70.24722	0.4
71.01379	6.9
71.05022	2.5
72.99307	10.8
73.02953	6.9
75.00874	100.0
76.01212	0.9
81.03456	5.5
83.01405	0.9
84.02174	0.4
85.02948	3.8
87.00874	9.4
89.02446	6.0
97.02960	1.8
99.00894	5.5
99.04528	2.4
101.02417	0.4
103.06839	0.4
104.10846	0.3
110.43661	0.4
113.02480	1.2
117.01953	0.8
125.02462	1.8
131.03474	1.5
141.01897	0.5
143.03497	10.8
144.82166	0.4
153.13779	0.3
161.04562	10.4
179.05608	47.0
180.05923	1.3
193.14714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.6
63.02396	56.7
64.02722	1.5
65.00323	20.8
71.01381	3.5
71.28660	1.1
73.02948	1.7
75.00885	0.6
75.90613	0.6
83.01384	27.9
85.02953	3.1
87.00877	14.7
89.00307	0.7
89.02432	0.6
97.02944	1.5
97.81605	0.6
99.00867	4.4
101.02441	2.3
107.01388	49.1
108.01706	1.0
113.02467	0.6
117.01940	3.1
121.49114	0.5
124.01628	2.9
125.02430	1.7
135.04530	6.2
137.02403	0.7
141.01974	1.2
149.02446	1.6
151.00363	100.0
152.01039	5.4
161.04543	7.6
164.04794	0.9
169.01421	16.8
169.02853	1.2
170.01802	0.7
178.99857	51.3
179.03238	1.3
179.05577	6.7
180.00192	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	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.37862	0.2
57.03436	0.2
59.01377	1.6
60.35735	0.2
67.01880	0.3
69.03456	0.5
69.34554	1.5
71.01384	1.9
71.44724	0.2
72.99310	0.3
73.02937	1.2
75.00856	1.0
79.05542	0.2
83.01392	0.7
85.02959	1.2
87.00878	6.7
89.02451	0.7
89.03978	0.4
91.05542	1.5
93.03462	0.9
95.01397	0.7
95.02473	0.2
95.86460	0.2
96.02177	0.2
97.02949	0.6
98.20686	0.4
99.00876	1.8
101.02461	0.9
106.04250	0.4
107.01393	0.4
107.05022	2.5
108.02209	0.4
109.02957	0.9
109.04060	0.4
111.00906	0.2
111.04504	0.5
117.01945	0.9
117.03462	0.8
118.38589	0.2
120.02193	0.3
121.02965	0.3
123.00829	0.2
123.04560	0.2
124.95405	0.2
125.02434	0.9
133.02985	0.2
134.03748	8.0
135.04526	100.0
136.03889	0.3
136.04869	3.4
137.02449	1.1
141.01921	0.7
146.03697	0.2
146.12100	0.2
149.02487	0.3
151.00362	0.3
151.04028	1.3
151.07567	0.2
159.03029	0.4
161.04558	3.3
163.00415	0.3
164.01152	4.5
164.04788	0.2
168.36761	0.2
179.00038	0.4
179.03502	14.5
179.05612	3.4
179.07109	0.6
180.03810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	0.4
59.01369	0.7
63.02384	0.4
65.00303	0.5
68.99802	0.5
71.01369	1.1
71.51363	0.7
74.79129	0.4
75.00857	0.4
77.03957	1.8
81.03439	2.0
83.01376	0.5
89.03970	9.2
90.04276	0.6
91.01894	0.9
93.03458	2.4
95.05028	2.7
97.83667	0.3
105.03462	19.0
106.03798	0.6
107.01402	0.9
107.05080	0.4
109.02951	1.1
115.04014	0.6
119.05009	0.3
121.02942	1.8
122.36172	0.3
123.04533	0.5
132.02245	0.3
133.02959	35.8
133.06622	0.7
134.03358	1.4
135.00876	2.2
139.04094	0.5
143.14886	0.3
147.04504	0.6
149.02449	3.7
149.06058	0.5
159.02950	0.4
162.03204	5.1
162.06866	0.8
177.01926	100.0
178.02292	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68543	0.2
59.01366	0.4
61.98825	1.6
69.20018	2.5
71.01392	0.2
85.02934	0.3
87.00875	1.2
114.80252	0.2
119.93649	1.3
122.57252	0.2
128.13695	0.2
134.96088	53.1
135.96164	2.9
136.94006	100.0
137.94080	5.5
138.94418	0.3
151.92719	16.8
152.92764	1.3
159.68965	0.2
161.04520	0.7
162.48450	0.2
166.79903	0.3
175.32417	0.3
178.95058	60.9
179.05585	0.7
179.95164	4.5
196.96060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.68430	0.3
55.68697	0.5
58.02964	1.7
59.01384	2.2
63.02388	1.6
63.44508	0.4
65.00314	2.0
67.01890	0.9
68.99809	1.1
71.01379	2.1
71.50797	0.5
72.99304	0.5
73.02942	0.7
74.02467	0.5
77.03965	2.0
81.03455	0.7
83.01407	1.0
85.02946	0.8
89.00355	1.0
89.03965	6.4
91.01891	3.8
93.03458	7.5
95.05034	3.6
97.02959	0.5
99.00892	1.4
100.04058	2.0
105.03454	10.6
106.04237	1.2
107.01389	2.0
107.05033	3.8
108.02183	0.7
109.02942	2.6
119.05022	3.5
121.02949	4.0
123.04520	2.0
125.71365	0.4
129.01945	1.2
130.04227	0.8
131.05016	3.9
132.02179	0.6
132.05780	1.1
133.02962	28.0
133.06596	23.6
134.03841	2.1
134.06932	1.0
134.99982	0.6
135.00859	3.1
136.07683	1.1
139.03999	0.5
145.02943	0.6
147.04546	4.0
149.02473	3.2
149.06058	2.0
159.03091	0.9
159.04488	1.7
161.02444	0.5
162.03224	11.0
162.06885	1.1
167.23593	0.4
177.01926	100.0
177.09157	1.2
178.02298	3.9
178.08736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
57.03427	0.6
59.01382	2.0
69.03458	0.9
71.01385	1.0
71.05006	0.4
71.35427	0.6
73.02938	0.7
73.62518	0.3
83.05032	0.7
84.02169	0.4
85.02967	1.3
85.06587	17.0
87.00882	2.2
95.05034	0.7
103.58752	0.3
111.04504	0.7
113.06087	39.1
114.06430	0.7
115.00361	1.2
115.04033	0.6
129.05582	22.2
130.05888	0.7
131.03549	0.4
131.05022	0.3
131.07123	3.4
132.98181	0.4
147.04538	0.4
157.05057	100.0
158.05394	3.0
164.94664	0.3
174.82806	0.5
174.88980	3.4
175.04001	1.3
175.06129	9.3
175.07518	0.8
176.03531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Esculetin
Peak:m/z	Relative Intensity
59.01386	0.2
63.02399	2.5
65.00322	2.3
67.01893	1.4
68.99813	0.6
69.18935	1.4
69.19341	0.3
71.01376	0.3
77.03967	0.4
79.01912	0.2
83.01386	0.2
85.02971	0.2
89.00349	0.9
89.03967	4.6
91.01898	4.8
93.03480	0.5
95.05046	0.9
105.03461	1.6
107.01385	2.2
108.78836	0.2
109.02950	2.9
121.02949	1.3
123.03747	0.2
123.04540	1.2
133.02966	7.1
134.03377	0.2
135.00874	2.9
139.04077	0.2
147.00851	0.3
149.02443	1.8
151.00320	0.2
151.22881	0.2
159.02989	0.2
162.03206	1.4
177.01927	100.0
178.02277	4.1
197.20105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62197	5.9
55.62698	6.6
57.03452	32.1
59.01379	100.0
68.99810	11.6
69.03456	41.3
69.91026	31.4
71.01388	52.5
71.05025	8.4
72.00890	22.3
72.99294	20.2
73.02943	23.0
75.00871	9.4
83.01385	21.4
83.04979	7.1
84.04578	7.6
85.02955	48.3
85.06587	38.0
87.00873	83.0
87.04502	21.1
89.03569	71.1
93.03463	8.4
95.01373	7.2
95.05024	8.3
97.02951	13.1
97.76686	6.3
99.00883	14.6
100.98804	66.9
101.02416	23.4
111.04529	8.2
113.02453	27.9
113.06089	74.9
114.05592	15.6
115.00367	29.4
115.04026	44.6
124.01585	9.6
124.98792	14.8
127.97510	60.9
129.01953	9.6
129.05595	32.0
131.03494	15.2
131.05031	8.9
131.06174	8.1
131.07152	11.3
132.04153	7.8
133.05045	10.6
133.08720	15.9
142.99826	8.4
148.98610	16.9
157.01457	11.1
157.05069	94.0
158.04547	33.6
168.96959	6.6
174.82814	23.7
174.88939	26.4
175.02431	15.7
175.04008	18.5
175.06142	78.6
175.07535	12.5
180.95804	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	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
51.62197	5.9
55.62698	6.6
57.03452	32.1
59.01379	100.0
68.99810	11.6
69.03456	41.3
69.91026	31.4
71.01388	52.5
71.05025	8.4
72.00890	22.3
72.99294	20.2
73.02943	23.0
75.00871	9.4
83.01385	21.4
83.04979	7.1
84.04578	7.6
85.02955	48.3
85.06587	38.0
87.00873	83.0
87.04502	21.1
89.03569	71.1
93.03463	8.4
95.01373	7.2
95.05024	8.3
97.02951	13.1
97.76686	6.3
99.00883	14.6
100.98804	66.9
101.02416	23.4
111.04529	8.2
113.02453	27.9
113.06089	74.9
114.05592	15.6
115.00367	29.4
115.04026	44.6
124.01585	9.6
124.98792	14.8
127.97510	60.9
129.01953	9.6
129.05595	32.0
131.03494	15.2
131.05031	8.9
131.06174	8.1
131.07152	11.3
132.04153	7.8
133.05045	10.6
133.08720	15.9
142.99826	8.4
148.98610	16.9
157.01457	11.1
157.05069	94.0
158.04547	33.6
168.96959	6.6
174.82814	23.7
174.88939	26.4
175.02431	15.7
175.04008	18.5
175.06142	78.6
175.07535	12.5
180.95804	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	173.0455
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01868	1.0
57.03452	7.7
59.01367	3.2
67.01885	11.1
67.05531	0.9
68.99817	0.6
69.03456	1.2
71.01379	12.4
71.05009	1.0
71.49089	0.5
72.99303	1.8
73.02951	2.6
81.03465	1.3
83.01388	2.3
83.05026	10.6
85.02950	13.7
85.06594	9.9
87.00881	7.7
93.03451	3.8
96.99312	1.5
97.02940	1.0
99.00875	4.6
99.04526	1.7
101.02425	0.9
101.06082	1.9
103.92010	0.5
111.00883	100.0
111.04515	13.3
112.01217	1.9
112.98812	3.4
113.02461	0.9
115.00377	0.7
119.00233	0.6
123.15250	0.4
124.98830	3.5
127.04011	2.4
128.96432	0.5
129.01978	2.4
129.05582	24.2
131.08257	5.4
142.99863	7.0
154.99846	0.8
155.03462	3.9
155.04530	0.5
173.00906	1.5
173.04523	9.0
173.08105	0.9
174.04018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0169
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
53.24561	7.0
54.68376	6.5
59.01381	71.7
60.01726	9.3
67.01892	13.0
68.02229	13.5
69.03445	13.4
71.01390	55.3
71.50943	11.1
72.99308	23.8
73.02919	11.1
83.01386	13.6
85.02947	16.0
85.06612	7.6
86.06927	11.1
87.00878	100.0
93.03420	13.0
94.03794	39.3
111.00877	15.9
112.01239	51.0
114.01967	10.4
115.00376	99.1
131.03589	11.0
131.07127	12.7
132.07518	40.5
146.02521	11.6
147.04541	13.3
148.52948	7.1
160.01654	17.8
165.31856	7.6
174.01718	79.5
174.05540	13.3
174.89023	35.9
175.02460	22.4
175.03860	14.9
175.06151	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	174.0169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12160	7.9
54.77848	8.4
58.00558	8.7
59.01381	43.0
67.01888	15.6
68.02226	11.4
69.03456	12.5
69.31567	61.3
71.01378	71.3
71.74933	7.9
72.99313	17.0
73.02951	7.6
83.01369	16.3
85.02956	19.1
85.06593	15.9
87.00883	92.5
93.03463	16.9
94.03774	60.4
100.26587	9.6
101.06055	11.3
112.04842	9.1
113.06078	38.1
115.00378	100.0
115.04067	8.1
117.78578	8.8
118.03021	8.8
129.05566	11.8
130.09575	9.5
131.07101	11.3
132.46153	7.6
135.82825	6.5
138.00507	6.9
144.00203	38.4
146.02435	10.1
147.04477	8.2
174.01730	67.5
174.05522	9.3
174.07642	17.1
174.82793	8.3
174.88994	48.2
175.02406	23.6
175.03983	21.6
175.06123	14.2
175.09779	49.1
175.11159	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	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01887	2.0
57.03446	8.6
58.02969	1.9
59.01391	4.9
61.91094	1.0
65.03965	0.8
67.01890	11.4
67.05505	1.2
68.31341	0.8
68.99805	1.4
69.03462	1.7
69.18163	0.8
69.80827	3.9
71.01382	28.3
71.05019	1.1
71.34949	0.9
72.99312	6.9
73.02950	3.8
75.48913	0.9
81.03456	5.9
83.01399	3.3
83.05032	49.9
84.05377	1.1
85.02952	65.0
85.06586	19.6
86.03271	0.9
87.00872	3.5
88.04060	1.2
90.11569	0.9
93.03456	5.5
96.99311	1.4
99.00888	9.1
101.02427	2.8
101.06097	1.8
104.96590	0.8
109.02977	1.2
111.00886	100.0
111.04520	51.6
112.01218	2.3
112.04897	1.3
112.98817	7.1
113.02429	1.2
115.00363	1.5
124.98808	9.2
127.04017	16.4
128.07106	0.9
129.01945	9.7
129.05585	75.3
130.05934	1.3
130.83188	0.8
131.08266	5.0
137.02444	1.1
142.99869	17.1
146.37106	0.9
154.99913	1.6
155.03517	12.1
173.00932	2.8
173.04553	25.8
174.03938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
53.00318	0.9
54.80473	0.6
55.01878	1.8
57.03444	4.7
58.02971	1.5
59.01381	7.8
60.99306	0.8
67.01892	7.5
68.99781	1.0
69.03455	2.5
69.23674	7.2
71.01380	25.7
71.01778	1.3
72.99307	5.0
73.02949	2.7
81.03463	6.6
83.01385	2.8
83.05022	19.6
85.02949	19.0
85.06589	18.2
87.00875	3.8
90.92348	0.8
91.36298	0.8
93.03460	21.3
93.50426	0.7
96.99301	1.9
97.02976	0.9
99.00870	8.8
99.88871	0.8
101.02431	2.8
101.06071	1.1
109.02985	1.8
111.00299	0.5
111.00875	27.2
111.04521	39.1
112.04802	0.9
112.98819	10.9
114.05634	1.8
115.00373	2.5
119.00179	0.8
124.98810	8.8
127.04011	16.7
129.01942	4.3
129.05582	68.2
130.05922	1.2
131.08261	100.0
132.08603	2.3
137.02423	1.2
140.98273	1.1
142.99857	25.3
155.03482	6.2
156.07828	2.2
172.83061	3.9
173.01068	1.4
173.04543	28.2
173.06053	1.4
173.08153	1.2
173.10382	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	173.0455
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01880	3.4
57.03449	6.7
58.02974	2.6
58.81248	0.5
59.01377	4.9
65.03942	0.6
67.01890	14.3
67.05532	0.9
68.07370	0.6
68.99824	1.0
69.03455	1.3
70.48114	1.7
71.01382	27.0
71.05016	0.8
72.01717	0.7
72.79151	0.6
72.99310	6.3
73.02939	3.4
76.41022	0.5
79.83543	0.5
81.03043	0.7
81.03463	4.9
83.01374	4.1
83.05028	49.2
84.04536	0.9
84.05357	1.2
85.02953	60.6
85.06590	19.1
86.03271	1.2
87.00893	4.6
88.04044	1.4
93.03471	5.3
96.99315	2.1
97.02942	1.0
98.02505	0.6
99.00886	10.8
99.04514	1.0
101.02464	2.8
101.06098	1.5
102.05612	0.6
102.47736	0.6
106.19003	0.7
109.02945	1.1
111.00884	100.0
111.04523	47.6
112.01215	2.4
112.04076	0.7
112.04811	1.2
112.98814	7.0
113.02420	0.6
115.00360	1.3
124.98798	8.5
127.04008	14.3
129.01953	11.1
129.05583	72.1
130.05939	2.0
131.08264	4.4
137.02438	1.4
142.99861	18.0
154.99870	1.5
155.03499	13.2
155.04729	0.8
171.78392	0.5
173.01021	4.1
173.04550	26.1
174.03949	0.7
177.81845	0.5
183.90390	0.5
190.94182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
57.03443	1.8
59.01377	31.5
60.99294	1.3
67.01888	15.4
68.99801	0.3
69.03458	2.2
69.24158	3.3
71.01372	3.6
71.68031	0.3
72.99306	5.8
73.02960	1.0
81.03455	0.9
83.01384	5.4
83.05022	3.0
85.02948	17.9
85.06094	0.7
85.06586	9.7
87.00880	0.4
93.03456	37.6
94.03776	1.2
98.20689	0.8
99.00873	3.9
99.49854	0.3
101.02438	2.7
109.02898	0.4
109.06586	0.5
111.00879	100.0
111.04510	4.5
111.08153	9.6
112.01221	2.2
112.98806	0.6
113.06084	4.4
123.00908	0.6
127.07662	0.5
129.01955	3.1
129.05576	1.7
129.09218	1.0
131.07140	33.9
132.07497	0.7
145.02957	0.7
154.94786	0.4
154.98592	0.7
154.99858	11.8
155.03490	0.5
156.00252	0.5
173.00900	5.1
173.02425	1.1
173.04547	3.3
173.05981	0.7
173.08173	4.3
181.85455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	1.3
59.01384	0.7
67.01897	1.3
69.84306	0.4
69.84714	0.9
71.01388	0.8
72.99333	0.5
82.06635	0.5
83.05035	0.3
85.02953	0.8
93.03455	3.4
111.00875	3.1
111.04549	0.5
112.98787	0.6
128.10806	2.1
129.05588	0.5
130.08737	100.0
131.07147	0.5
131.09094	2.2
142.99883	0.4
144.04532	0.5
154.99814	0.3
165.08679	0.3
165.26056	0.2
172.09781	11.8
173.10052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03465	0.4
58.02976	1.7
59.01392	1.2
60.99319	0.4
67.01891	3.0
69.03469	0.7
69.39263	2.3
71.01389	0.7
72.99330	0.9
74.23515	0.3
81.03480	0.4
82.06661	0.3
83.01422	0.3
83.05024	4.0
84.05344	0.5
85.02950	1.8
85.06596	0.5
93.02875	0.5
93.03461	10.4
98.20596	0.6
99.00880	0.8
99.04539	0.4
101.02450	0.4
109.06550	0.3
111.00890	8.3
111.04528	3.2
114.37486	0.3
127.07651	0.4
128.08038	0.4
128.10817	4.5
129.05574	3.5
130.08737	100.0
131.07123	0.9
131.08270	0.3
131.09105	2.3
144.04552	0.9
154.99852	0.5
155.03535	0.3
172.04036	0.7
172.09772	12.8
173.00920	0.3
173.04607	1.9
173.05940	0.5
173.10078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21162	0.3
53.00323	0.3
55.01882	1.3
57.03448	6.7
57.18702	0.2
58.02961	1.2
59.01386	2.0
62.49659	0.3
67.01889	12.5
68.99818	0.9
69.03476	0.4
70.81359	0.6
71.01382	17.2
72.99307	1.8
73.02934	1.6
80.99791	0.3
81.03458	1.1
83.01382	2.1
83.05025	6.5
85.02952	18.0
85.06580	2.1
86.06110	0.3
87.00873	1.5
88.04048	0.5
93.03468	2.4
96.99323	0.9
99.00883	6.0
101.02441	1.3
101.06100	0.4
111.00883	100.0
111.04517	6.3
112.01237	2.2
112.04056	0.3
112.04884	0.4
112.98812	4.2
115.00408	0.6
124.98804	5.4
127.04009	2.1
128.07170	0.6
129.01952	5.0
129.05583	10.2
129.07550	0.8
131.08264	11.0
140.98325	0.4
142.99866	11.1
145.01436	0.4
154.99883	0.5
155.03525	1.5
156.07823	0.4
167.00496	0.3
168.23985	0.3
173.00935	2.4
173.04524	4.8
173.08163	0.4
173.10373	0.3
174.07690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Gallic acid
Peak:m/z	Relative Intensity
58.77560	0.2
60.27745	0.3
60.42609	0.2
67.01894	0.9
68.99818	0.3
69.03455	5.4
69.63950	1.0
70.02998	0.2
71.01392	0.5
79.01891	1.7
81.03454	2.0
83.01396	0.5
85.02976	0.3
95.01373	1.2
97.02943	4.8
98.19875	0.3
107.01376	1.2
108.02189	0.3
123.00880	0.7
124.01678	1.7
125.02444	100.0
126.02797	2.9
126.98875	0.9
141.97560	0.3
150.97070	0.5
168.83678	0.7
169.01414	26.5
170.01735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.014
Annotation	Gallate
Peak:m/z	Relative Intensity
60.94572	0.2
61.17916	0.3
65.88564	0.3
66.27465	0.3
67.01898	0.6
68.99813	0.4
69.03454	5.8
69.55462	0.2
69.58449	0.9
69.58855	1.0
71.01356	0.3
74.70556	0.3
79.01894	2.1
81.03454	2.1
83.01382	0.8
88.14936	0.3
92.10635	0.3
93.08829	0.3
93.38971	0.3
95.01395	1.4
97.02951	5.0
107.01405	1.3
112.88285	0.3
122.89413	0.6
123.00861	0.4
124.01624	1.4
125.02447	100.0
125.09750	0.5
126.02770	3.2
151.00357	0.3
154.00948	1.4
168.83693	0.3
169.01419	26.1
169.08788	0.3
170.01816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58200	0.2
57.85844	0.2
59.01376	6.8
65.61755	0.3
71.01379	3.4
71.49340	0.3
73.01445	1.4
73.98584	1.2
74.99377	1.5
78.95924	0.3
80.96509	1.0
81.58705	0.3
82.99889	0.4
86.20992	0.2
87.00868	0.3
109.98607	0.7
117.00447	1.5
124.72385	0.2
125.00942	100.0
126.01046	6.1
126.98870	76.5
127.98965	4.0
128.99260	0.3
129.76169	0.2
131.23991	0.2
137.68488	0.2
141.95932	0.3
141.97569	21.7
142.97646	1.4
150.97035	2.2
168.98248	1.7
168.99911	39.0
170.00061	2.2
184.77014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
59.42839	0.2
62.06492	0.2
63.13571	0.2
65.00308	0.3
66.16863	0.3
66.17535	0.2
68.99822	0.3
69.03449	0.4
70.02975	0.4
71.01378	2.6
71.25298	0.2
71.49891	0.3
72.99284	0.4
73.01440	1.6
73.98589	0.9
74.99383	2.1
80.96490	0.6
81.03438	0.3
85.02949	0.3
85.96740	0.2
96.96003	2.0
97.01472	0.3
97.02956	0.6
98.02477	0.4
98.99390	0.3
99.00836	0.5
104.96799	0.3
109.98595	1.0
113.02451	0.5
117.00428	1.7
125.00948	90.7
125.02286	7.1
125.99631	0.4
126.01056	5.5
126.02797	0.2
126.98872	100.0
127.98965	5.9
128.03526	0.4
128.07156	0.5
134.04727	0.2
141.97577	27.0
142.97679	1.5
143.84840	0.3
150.97050	1.4
153.99150	0.3
168.99928	42.5
170.00085	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	168.9814
Annotation	(S)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
54.40289	0.4
58.76669	0.3
59.01382	1.6
59.41880	0.3
65.00320	0.5
70.48845	1.1
71.01382	100.0
72.01721	1.4
72.99327	0.4
73.01440	0.5
78.95918	1.2
79.95728	1.0
80.96516	33.7
86.91058	0.4
87.00870	2.9
94.98083	0.6
95.31003	0.4
96.96003	0.8
96.96969	1.4
97.02960	0.5
102.82266	0.4
106.98096	1.5
108.46732	0.3
115.76013	0.3
117.00481	0.4
122.97595	1.1
125.00948	20.3
125.02426	0.8
126.01126	1.0
126.98882	17.1
127.98985	0.9
128.35207	0.4
141.97580	5.1
150.97070	61.7
151.97401	1.2
168.98129	59.0
168.99860	6.5
169.98428	0.7
169.99997	0.4
170.04633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0714
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
55.01886	2.3
57.03443	3.3
59.01374	1.9
65.00334	3.2
67.01877	3.5
68.99782	1.7
69.03455	9.9
70.69445	2.9
70.69801	2.3
71.01376	4.0
71.05007	2.3
74.80421	1.3
79.05538	2.1
80.02667	3.9
81.03454	10.6
82.02966	1.4
83.01389	5.0
83.05017	7.2
84.02171	8.6
85.02958	10.2
93.03445	3.4
93.07072	3.6
95.01395	13.1
95.05027	13.0
97.02954	10.7
97.06581	17.5
98.03732	8.3
99.04545	5.4
105.07122	3.9
106.04243	3.3
107.05027	3.7
108.02171	26.1
109.02963	1.7
109.06581	12.6
110.03709	8.4
111.00863	3.0
111.04541	3.2
111.07372	2.6
111.08150	51.7
112.01672	22.2
119.04994	2.7
121.02971	3.7
121.06591	22.3
123.00903	7.1
123.04528	32.4
123.08170	12.9
124.01665	28.9
124.05296	4.1
125.02449	2.7
125.06110	2.4
131.05002	1.7
134.03754	6.2
137.02475	3.9
137.06065	4.7
138.03215	3.6
138.95540	1.4
139.00389	1.5
139.04022	4.9
139.07646	100.0
140.08018	3.7
149.02402	2.6
149.06078	60.6
150.06468	2.6
152.01144	39.1
152.04704	2.2
167.03479	22.0
167.07138	58.1
168.07632	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	167.0713
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
55.01875	1.9
55.49566	1.5
56.45546	1.6
57.03444	3.0
59.01368	2.0
61.16331	1.7
65.00334	1.7
67.01888	3.7
68.21593	1.8
68.99834	2.6
69.03454	26.2
70.45043	1.7
71.01379	6.4
71.04979	2.8
71.51871	2.8
71.52289	2.4
79.05531	7.9
80.02667	4.2
81.03436	11.5
83.01381	3.8
83.05005	9.0
84.02164	6.2
85.02934	8.2
89.95528	1.6
91.01868	4.3
91.05543	8.0
93.03455	30.8
93.07108	2.0
95.01380	10.3
95.05030	19.2
97.02953	11.8
97.06593	14.8
98.03741	9.3
99.04560	8.4
105.07090	4.9
106.04244	4.3
107.05028	100.0
108.02158	31.9
108.05333	2.8
109.03013	2.5
109.06612	19.3
110.03731	4.7
111.00888	4.3
111.04499	2.3
111.08152	60.5
119.05030	2.2
121.02958	4.4
121.06594	24.0
122.03757	1.8
123.00896	9.2
123.04518	46.7
123.05378	2.8
123.08135	13.6
124.01666	25.0
124.04064	2.3
124.05293	4.6
125.02448	3.7
125.06065	4.8
134.03708	2.9
135.04529	25.8
137.02443	16.8
137.06129	4.0
138.03247	5.3
139.03995	7.5
139.07648	84.6
140.07986	3.1
149.02443	4.3
149.06082	45.0
152.01141	56.6
152.04738	11.3
153.01471	2.0
153.05573	3.3
167.03491	34.4
167.07144	73.4
168.07593	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	100.0
59.03315	0.5
61.98852	0.3
67.63012	0.3
69.03502	0.4
69.77551	1.4
69.77955	0.8
70.02976	0.5
75.09521	0.3
122.89455	1.0
125.02457	5.9
131.50984	0.3
132.69426	0.4
132.86838	0.5
149.00333	0.3
168.13914	7.0
168.83604	0.8
169.01465	1.4
169.14305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59619	0.5
57.03447	4.0
59.01368	2.2
61.98851	2.8
65.00334	1.6
65.99838	0.8
66.03487	0.7
67.01919	0.7
69.03454	1.4
71.01389	1.9
71.05016	1.0
72.29249	0.6
72.99319	1.4
74.99094	0.7
75.00861	1.4
77.03969	4.0
80.02662	1.6
81.03450	4.2
83.01406	0.9
83.05025	7.1
83.99112	0.6
85.02961	0.6
85.06576	0.7
87.00875	4.7
92.99826	2.6
93.03460	6.4
93.99380	0.7
94.02990	1.2
95.01374	0.8
95.05029	4.9
97.06581	8.2
101.02451	1.0
105.01927	4.0
107.05046	1.2
108.02197	0.7
109.02939	1.9
109.06586	1.9
111.08160	11.1
119.05019	2.6
121.02956	100.0
121.06586	2.7
122.02473	1.2
122.03306	4.6
122.06132	1.4
123.01003	0.6
123.04540	1.4
124.04081	1.3
135.04500	1.3
137.02432	7.0
137.06104	1.1
139.04088	0.9
142.97969	0.6
147.04517	2.7
147.11826	0.6
149.00960	5.1
150.03249	5.0
151.00365	0.9
151.02641	0.8
163.00601	0.6
163.11293	3.5
164.83644	3.7
164.89554	3.8
165.01929	14.0
165.04091	2.7
165.05557	5.7
165.07782	0.9
165.09198	1.8
165.12842	20.0
166.01378	1.0
166.05112	2.6
166.13167	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	167.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43140	0.5
57.03437	0.6
59.01376	2.0
65.00329	2.1
69.28860	1.4
69.29269	2.8
69.51054	0.5
75.23666	0.5
79.76237	0.5
81.03454	21.6
83.01383	8.6
93.03481	0.6
95.05018	2.4
97.02952	0.7
99.04497	0.7
105.86593	0.5
107.01385	1.9
108.02219	0.6
122.03919	0.5
123.04524	100.0
124.04841	3.6
125.02441	8.3
126.75589	0.7
138.56648	0.5
149.02400	0.7
151.00372	3.7
152.01135	1.5
167.03493	73.2
168.03835	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	167.035
Annotation	Tetraacetic acid lactone
Peak:m/z	Relative Intensity
52.54201	1.1
55.01887	6.3
57.03432	1.1
65.50642	1.0
67.01886	2.5
68.99817	2.6
69.03461	6.4
70.29173	1.1
71.05022	17.4
79.01893	2.6
80.02679	2.4
81.03458	100.0
82.03802	3.0
83.01391	16.9
84.02161	5.5
91.01899	1.2
93.03434	3.6
95.01392	3.4
95.05030	40.3
96.05345	1.4
97.02954	48.6
98.19855	1.8
99.04520	87.8
100.04842	2.3
103.55955	1.0
105.03448	3.9
108.02179	11.3
121.02962	2.0
123.00905	2.5
123.03615	2.0
123.04528	27.0
123.08154	1.3
124.01632	3.6
124.04855	1.5
125.02444	20.3
137.02411	2.4
138.03220	2.5
139.00366	1.3
139.04012	35.2
149.02440	2.6
152.01147	18.8
157.34123	1.1
167.03497	87.6
167.07216	2.6
168.03922	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	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
52.37929	0.7
53.76933	0.7
57.03447	31.1
58.03778	0.8
58.14082	0.7
59.01379	2.3
61.98824	2.1
65.00311	2.5
69.03465	2.2
69.40015	6.0
71.01376	1.3
71.05028	3.2
72.99329	1.0
74.13607	0.8
75.00876	1.7
77.03981	3.9
78.54387	0.7
81.03455	3.4
83.05029	7.5
85.02992	0.9
87.00881	3.4
92.99802	4.1
93.03454	5.8
93.99332	1.0
95.05022	1.7
97.06590	4.9
105.01926	2.9
107.05036	1.7
108.02168	1.1
109.02956	1.6
109.06572	4.8
111.08157	51.0
112.08448	1.3
119.05015	1.8
121.02955	74.8
121.06565	1.4
122.03288	3.3
122.06113	1.2
123.04558	0.9
124.04052	1.4
136.13046	0.8
137.02438	6.7
138.02863	0.8
147.04503	1.0
147.11771	0.9
149.00955	3.5
150.03183	3.8
151.00398	0.9
163.11276	2.3
164.83612	2.7
164.89583	3.0
165.01917	10.6
165.04108	1.8
165.05557	5.0
165.12840	100.0
166.05078	2.6
166.13197	4.8
167.19319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
60.41163	0.4
69.70592	1.5
69.71000	0.8
75.00873	1.6
77.03967	1.5
87.00883	3.3
93.03464	2.0
99.00894	0.4
105.01919	3.1
108.02151	0.5
121.02955	100.0
122.03249	3.1
127.42199	0.4
136.45705	0.4
137.02448	1.0
147.04591	0.5
149.00964	0.8
150.03223	2.0
157.56226	0.4
164.65414	0.4
164.89514	0.5
165.01921	8.2
165.04048	2.8
165.05408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	D-Xylonate
Peak:m/z	Relative Intensity
55.01878	0.7
57.03435	0.7
59.01374	9.3
61.98821	0.7
68.99785	0.5
70.69315	1.5
71.01385	6.8
72.99303	6.1
73.02930	3.1
75.00870	16.4
77.03951	0.6
82.17755	0.4
85.02973	1.0
87.00874	100.0
87.67427	0.5
88.01212	1.4
89.02443	3.1
93.03429	0.6
99.00873	10.1
101.02446	3.2
105.01930	75.4
106.02296	1.0
108.04512	0.5
117.01197	0.6
117.01894	3.1
121.02958	9.7
122.03770	0.7
129.01894	0.9
135.02994	2.3
137.02457	0.8
137.71077	0.5
147.02989	7.8
150.03224	4.4
165.04033	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.54433	0.2
56.51387	0.2
67.42320	0.3
69.60638	0.5
69.61059	1.4
79.95758	0.3
89.95019	0.2
93.03431	1.3
96.91808	0.2
99.08462	0.2
101.02466	0.5
106.58574	0.3
110.51183	0.3
114.84323	0.3
115.62109	0.3
117.03435	0.4
119.05025	100.0
119.88669	0.2
120.05357	4.0
120.09148	0.3
127.93204	0.2
135.04578	0.3
161.29343	0.3
162.89328	0.7
163.00371	0.6
163.04015	6.4
164.65569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
57.08590	1.1
57.59177	1.0
71.62674	0.9
91.01910	2.2
93.03455	1.1
105.08917	1.1
116.92093	3.4
119.05025	79.1
120.05358	2.6
163.00417	1.7
163.04008	4.9
163.11281	100.0
164.11624	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.01371	0.9
68.26707	0.7
71.01369	0.7
71.24155	0.6
71.27188	1.0
72.00906	38.7
72.99291	0.8
75.00874	2.4
80.45056	0.5
87.00871	9.9
91.05531	2.0
93.03467	1.4
98.19877	0.5
99.00885	1.0
103.05531	5.2
105.01934	8.0
118.06607	0.6
119.05032	2.6
120.05346	4.0
121.02946	7.5
122.03786	0.7
135.04485	0.5
147.04515	100.0
148.03822	0.6
148.04858	3.7
149.02396	0.6
150.03238	7.4
162.47780	0.5
164.07155	39.8
165.04057	4.5
165.05463	1.1
165.07567	1.8
177.34258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	phenylalanine
Peak:m/z	Relative Intensity
52.53097	0.6
57.99856	0.5
59.01364	1.3
66.03471	0.8
71.01385	0.7
71.50407	0.9
72.00906	41.9
72.99317	1.2
75.00869	3.4
77.03964	1.2
86.62676	0.6
87.00870	11.7
89.02430	0.6
91.05525	2.2
92.05093	0.6
93.03460	2.9
98.23697	0.6
99.00889	0.8
103.05525	3.6
105.01936	7.3
106.62197	0.7
108.02162	0.9
109.02969	0.9
119.05021	7.1
120.04684	0.8
120.05365	24.6
121.02955	28.5
121.05701	0.8
121.06535	0.8
135.04509	0.7
137.02434	4.1
146.06166	0.8
147.04517	100.0
148.04871	4.9
149.01028	0.6
149.02446	2.7
150.03218	2.8
153.95860	0.6
164.01135	1.8
164.04382	2.4
164.07161	48.1
165.01961	5.1
165.04050	4.9
165.05515	2.1
165.07475	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	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01862	2.9
57.03447	23.2
59.01108	1.4
59.01381	21.0
60.04086	1.1
69.03453	4.9
69.90891	5.4
71.01380	14.1
71.05017	51.1
72.99302	4.9
73.02938	14.9
81.03446	1.8
82.09863	1.1
83.01365	6.3
84.02181	1.3
85.02946	20.5
87.00874	51.6
87.04517	1.6
87.39874	1.2
88.04041	1.3
89.02474	1.1
90.60398	1.1
97.02946	6.4
98.20606	1.3
99.00862	6.6
99.04517	86.8
100.04835	1.8
101.02438	100.0
102.02766	2.3
113.02525	1.6
115.04015	17.3
115.07667	2.3
115.26134	1.2
117.05585	16.4
125.02429	5.1
131.03513	1.8
133.02985	1.4
133.93370	1.3
143.03491	58.5
144.03847	2.6
161.02425	2.7
161.04546	62.4
161.08214	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	161.0819
Annotation	Oleandrose
Peak:m/z	Relative Intensity
54.42897	1.0
55.93956	1.1
59.01386	1.9
63.85607	1.1
69.03474	1.6
69.18695	5.1
69.19118	5.3
70.94270	1.3
71.01382	14.9
71.05015	35.1
73.02943	2.0
85.02945	2.8
87.04510	21.1
99.04520	96.3
100.04848	1.9
101.06100	1.1
115.03191	2.7
115.04012	55.4
115.07650	12.5
117.05576	37.1
118.05961	1.2
138.31816	1.1
161.02423	3.0
161.04549	2.5
161.08192	100.0
162.08548	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23782	0.2
59.01366	0.3
69.34450	1.3
69.34868	0.6
73.64172	0.2
77.09512	0.3
91.01902	0.3
93.03438	2.1
101.02486	0.3
115.07382	0.2
119.05030	100.0
120.05365	4.0
121.02947	0.3
135.04504	0.3
150.73392	0.3
158.05873	0.2
162.83842	0.3
162.89282	0.5
163.00362	0.7
163.04013	6.6
163.06096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
64.57230	0.2
67.10940	0.2
71.09694	0.3
77.37875	0.2
93.03475	1.1
112.09643	0.2
112.62257	0.2
117.38486	0.2
119.05025	100.0
119.91026	0.2
120.04527	0.4
120.05359	3.8
139.11417	0.2
163.04007	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	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01875	0.7
57.03452	1.7
58.02976	1.8
59.01373	1.4
66.03497	1.1
68.05051	1.1
68.99828	0.6
69.03464	1.2
70.69430	0.3
70.69797	0.8
71.01379	4.0
72.00913	1.4
72.99299	0.5
73.02943	3.2
73.49201	0.3
75.00882	0.5
83.01410	0.7
85.02961	1.4
87.00867	2.3
87.04488	0.3
90.57053	0.3
95.01393	0.3
96.04537	0.9
96.99335	0.3
97.02959	1.0
97.06602	0.7
99.00890	1.4
99.92585	0.6
100.30417	0.3
101.02438	1.6
111.00885	1.8
112.07758	0.5
113.02447	1.2
113.06109	0.4
114.05619	4.1
114.09247	5.7
114.94897	0.3
115.00393	0.4
115.04012	0.9
115.07687	0.6
116.07175	100.0
116.92854	1.8
117.06805	0.4
117.07519	2.8
127.04012	0.6
128.05029	0.5
129.01936	2.1
130.06606	0.5
140.03539	0.8
142.66769	0.3
157.86382	0.6
158.03571	9.6
158.04611	0.9
158.06126	1.0
158.08209	16.2
158.12688	0.4
158.89258	1.6
159.02962	2.5
159.04172	0.4
159.06580	0.9
159.08598	0.6
159.10210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.25826	0.7
57.03445	1.7
58.52177	0.8
59.01374	1.0
59.80335	0.6
61.22291	0.7
68.99798	1.2
69.03450	1.7
69.24252	6.6
71.01395	1.3
83.05005	1.2
84.99311	9.5
85.02937	1.2
85.06589	10.3
95.05002	0.8
96.04593	0.7
97.02926	0.8
111.08122	0.9
112.92239	1.0
113.06087	51.2
113.09729	1.5
114.05643	1.1
114.06405	2.2
125.06055	2.2
127.00381	6.5
128.98331	1.4
129.05580	25.7
130.91708	0.7
139.07692	0.7
149.64337	0.7
156.89452	1.8
157.01402	0.9
157.05061	30.0
157.08722	4.0
157.09811	0.6
157.12320	5.5
158.03589	100.0
158.08214	3.1
159.59386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96023	0.1
71.01389	0.2
73.02942	0.2
95.05035	0.2
97.06590	0.7
99.00824	0.1
115.03015	0.4
115.07668	0.5
116.92842	0.2
129.01933	0.2
130.04109	0.3
131.02527	0.1
143.96259	0.1
158.03590	100.0
159.03999	4.3
159.06636	0.3
159.44749	0.1
171.64771	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	158.0459
Annotation	4-Methylene-L-glutamate
Peak:m/z	Relative Intensity
57.03447	7.5
59.01383	1.5
66.03487	27.3
67.03793	0.8
68.05051	26.5
69.03445	3.4
70.61527	1.6
70.61860	2.1
71.01389	2.5
72.00912	28.9
82.59172	0.9
83.52270	0.9
84.04557	2.8
85.02959	3.0
86.02484	2.6
86.06132	2.2
94.03013	1.5
96.04551	38.3
97.02949	13.6
97.04827	1.1
113.02463	2.7
114.05608	100.0
115.05930	2.2
128.03526	1.3
140.03537	17.7
140.34081	0.9
141.01956	0.9
158.04601	30.4
159.04886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
50.76189	0.4
52.19770	0.3
52.62857	0.4
57.03446	3.1
58.02972	3.0
58.93600	0.4
59.01387	0.4
66.03480	3.9
68.05049	4.1
69.03458	2.3
69.99514	1.0
69.99915	0.5
71.01385	1.0
71.05032	1.4
72.00908	5.1
72.99315	0.9
82.02994	0.5
84.04546	3.0
85.02957	1.8
86.02484	0.8
86.06126	1.6
87.04518	0.9
88.04023	0.4
96.04549	8.9
97.02943	6.4
97.06625	0.4
112.04058	1.7
113.02460	1.7
114.05613	19.3
114.09248	7.0
115.04008	6.4
115.05930	0.7
115.09611	0.4
116.07175	100.0
117.07499	2.6
128.03543	1.4
129.01892	0.4
140.03537	3.2
141.01955	1.3
158.03511	0.9
158.04608	7.5
158.08221	13.6
158.09378	0.5
158.89316	1.3
159.02971	1.6
159.04942	0.6
159.08627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
54.73601	0.5
55.01867	0.9
59.01383	3.2
60.78582	0.5
65.03957	1.4
69.49903	3.5
81.03455	34.4
82.03783	0.9
83.01389	1.3
83.05025	9.3
91.51009	0.5
93.03458	4.3
95.01385	0.6
98.19870	0.7
108.68520	0.5
109.02952	10.8
111.04519	100.0
112.04871	4.1
125.86882	0.5
127.04012	78.7
128.04356	3.1
137.02458	6.2
140.01132	0.6
155.03503	37.7
156.03828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	Euscapholide
Peak:m/z	Relative Intensity
54.03724	0.8
55.01873	2.3
58.00600	6.7
59.01376	25.0
65.03957	1.4
67.01863	0.9
67.05506	1.0
69.03474	1.0
69.83478	2.7
71.01378	4.6
71.04985	0.8
71.66177	0.8
72.02170	1.9
72.99303	2.1
79.05540	0.8
81.03452	37.9
81.07126	0.9
82.03799	0.8
83.01351	0.8
83.05017	12.8
84.02163	3.3
85.02932	1.3
86.00098	5.3
87.20954	0.8
93.03455	5.8
95.05024	16.5
97.06588	8.0
98.20547	1.2
99.08157	12.9
107.05027	27.4
108.02174	1.5
108.05364	1.1
109.02956	11.4
109.06626	1.7
111.00869	1.5
111.04519	100.0
111.08118	1.1
112.01664	1.5
112.04141	0.9
112.04861	2.7
113.06097	4.8
114.05614	3.2
125.06086	10.4
127.04010	80.8
127.07652	13.4
128.04370	3.0
137.02451	7.1
137.06137	0.9
140.01178	3.6
147.43867	0.8
155.03502	35.5
155.07088	6.5
156.03867	2.0
160.64346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0715
Annotation	Cleroindicin C
Peak:m/z	Relative Intensity
54.82333	2.7
55.01866	11.0
57.03444	9.2
58.00577	8.4
59.01379	68.0
67.01893	8.5
69.03445	4.9
71.01389	17.3
71.05026	3.6
72.02151	7.0
72.99296	7.8
77.14315	2.5
77.19901	2.2
80.02666	5.1
81.03453	23.0
82.28301	2.3
83.01384	23.4
83.05034	25.5
84.02184	14.5
84.02581	2.5
84.04516	2.9
85.02940	5.1
85.06607	3.2
86.00096	19.3
93.03457	5.6
95.01368	7.7
95.05028	49.8
96.00932	2.7
96.89746	2.3
96.96010	4.4
97.02959	2.6
97.06593	15.5
98.00104	5.0
98.20657	8.7
99.08164	47.2
99.92582	4.3
107.05031	100.0
108.02178	4.2
108.05375	5.3
109.02966	8.9
109.06575	8.9
111.00897	16.2
111.04525	64.0
111.08180	13.0
112.01675	6.4
113.06098	19.3
114.05620	8.6
123.00867	4.0
123.04504	4.9
125.06084	28.2
127.00364	8.2
127.04021	46.2
127.07649	20.2
128.04318	3.2
137.02443	7.4
137.06100	4.5
140.01180	24.9
154.99840	9.0
155.03604	22.9
155.07153	37.6
155.86581	14.6
156.06595	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
52.73756	0.9
54.18397	1.1
55.01876	3.6
55.07463	0.9
59.01392	1.6
67.01881	2.7
67.57116	0.9
69.16660	7.9
69.17077	2.6
71.01376	1.1
77.00424	1.0
81.03453	6.0
83.01382	9.2
83.05035	3.3
84.00893	1.6
84.04547	1.0
85.02930	1.2
93.03461	2.6
93.97924	1.0
109.02914	2.6
111.00881	4.1
111.04517	17.7
111.08163	1.8
112.04865	1.8
114.05599	3.7
123.00916	1.1
127.00375	2.1
127.04015	12.2
137.02437	1.8
140.01172	7.3
154.86824	1.1
154.99857	4.0
155.03574	8.2
155.10773	100.0
155.86609	6.0
156.06677	2.2
156.11128	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	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03435	0.8
59.01381	2.4
68.99819	0.8
69.03445	1.7
69.33636	3.2
71.01370	1.0
72.00932	0.4
77.47564	0.3
83.01385	0.6
83.05028	0.8
84.99305	7.3
85.02938	1.2
85.06580	5.1
87.00851	0.4
95.05001	0.7
96.13773	0.4
97.02943	0.4
97.06605	0.4
99.00868	0.8
111.00900	0.5
111.08147	1.3
112.92226	0.8
113.06083	23.5
113.09708	1.7
114.05679	0.9
114.06389	0.8
115.02996	0.5
124.98748	0.4
127.00369	4.7
128.98286	1.1
129.04581	0.7
129.05576	12.7
130.05875	0.6
139.07654	1.0
156.86491	0.4
156.89473	2.1
157.01395	0.6
157.05067	14.0
157.06383	0.9
157.08679	4.8
157.12338	5.9
157.86308	0.6
158.03587	100.0
158.08104	3.4
161.33311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
55.01866	0.6
59.01379	2.0
59.40992	0.5
65.03950	1.4
67.01868	0.4
70.66057	1.1
70.66386	0.5
81.03455	32.1
82.03803	1.0
83.01410	0.7
83.05028	8.1
84.05307	0.5
93.03457	5.0
109.02950	10.7
111.00857	1.4
111.04518	100.0
112.04832	3.7
114.05598	1.0
124.48908	0.5
127.04012	79.7
128.04333	3.7
134.17456	0.4
137.02458	6.5
155.03496	35.2
156.03915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
55.01889	0.7
56.88392	0.5
59.01364	2.4
61.34240	0.5
65.03967	1.4
69.55790	3.3
74.73355	0.5
81.03456	32.4
82.03793	1.8
83.01403	1.2
83.04524	0.6
83.05019	9.9
83.05482	0.8
86.84868	0.4
89.97282	0.5
93.03464	3.3
109.02953	10.3
111.04520	100.0
112.04839	3.9
116.96887	0.5
127.04013	77.9
128.04349	2.8
137.02460	5.9
155.03494	33.6
156.03801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
55.01880	0.8
59.01376	2.2
63.54295	0.7
65.03992	0.7
67.01884	0.8
69.91010	0.6
69.91327	3.6
81.03458	33.2
82.03779	1.5
83.01389	1.6
83.05023	9.5
93.03462	4.8
109.02953	11.2
110.03278	0.8
111.00933	0.9
111.04521	100.0
112.04863	4.2
127.04014	77.0
128.04350	3.2
137.02472	6.1
138.69182	0.6
140.01147	0.7
145.36227	0.8
155.03493	35.2
156.03894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
59.01369	2.5
63.96293	0.6
65.03965	1.4
65.81961	0.5
69.74574	1.3
69.74985	1.8
81.03456	35.2
82.03777	0.7
83.01377	1.0
83.05031	9.3
93.03457	3.4
93.03957	0.5
94.01665	0.6
95.44856	0.5
109.02954	10.7
110.03217	0.8
111.04516	100.0
112.04855	3.3
113.31857	0.6
119.23730	0.6
127.04011	83.7
128.04367	3.1
137.02425	5.4
139.99344	0.7
155.03496	32.8
156.03819	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	153.0558
Annotation	Rengyolone
Peak:m/z	Relative Intensity
50.23591	1.2
59.59385	1.3
65.00312	4.8
67.01891	2.8
68.99812	4.1
69.03455	11.9
71.51735	1.7
71.52127	1.7
74.15915	1.4
79.01932	1.5
79.05525	4.9
80.02675	35.2
81.03456	11.3
82.02994	3.7
83.01389	7.3
83.05044	1.7
83.60586	1.4
90.61572	1.3
91.05532	11.3
93.03482	4.2
94.04235	1.6
95.05035	5.8
97.02962	3.9
97.06585	18.1
107.01381	2.7
107.05030	20.9
108.02167	10.5
109.02952	100.0
109.06601	17.1
110.00093	16.2
110.02547	1.6
110.03812	2.1
112.01614	1.6
112.04034	1.9
112.52836	1.4
123.00861	3.1
123.04525	5.2
124.01665	3.8
124.04019	5.3
125.02448	8.9
125.06082	32.2
126.06435	1.5
127.07680	1.7
135.04559	8.7
137.99600	22.5
138.03221	21.0
151.00377	10.9
153.01933	43.1
153.05568	34.3
153.86841	5.1
154.01381	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	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
61.98813	2.9
65.00321	1.7
65.03950	1.0
66.03487	1.3
67.01889	0.8
68.99815	2.4
69.03462	2.0
69.62720	0.8
71.01383	0.8
71.05031	1.1
71.37634	0.7
80.96528	0.9
81.03465	4.6
82.02971	3.8
83.01383	1.9
83.05032	1.4
85.02943	0.9
88.71012	0.7
91.01891	1.0
95.01369	1.7
96.95998	0.9
97.02973	1.6
97.06593	13.6
99.08154	3.1
108.02164	8.3
109.02952	83.0
109.06577	2.6
110.00097	10.3
110.02566	1.2
110.03228	4.1
111.00866	1.0
112.04048	1.2
118.89981	1.4
123.00950	0.9
123.04523	3.6
124.04031	4.4
124.98803	1.4
125.02443	6.3
125.09687	1.0
126.05619	0.9
135.04514	1.6
136.04062	1.7
137.09686	1.6
137.99580	15.5
138.03224	2.1
145.56345	0.8
151.00348	2.3
153.01936	27.6
153.03148	1.4
153.05551	5.8
153.09187	1.0
153.12852	35.9
153.86865	100.0
154.01294	1.0
154.02414	1.2
154.05064	1.0
154.13210	1.8
174.00833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
52.46215	0.6
55.01874	2.3
59.01364	2.5
59.01650	0.6
60.30530	0.7
65.03972	1.8
65.57625	0.6
67.01878	2.2
67.03223	0.6
70.91982	1.6
71.01369	0.7
81.03457	33.0
82.03779	0.9
83.01385	2.0
83.05025	11.2
84.04548	0.7
84.78306	0.7
93.03450	5.7
94.03773	0.8
109.02949	10.9
111.00867	3.0
111.04519	100.0
111.40263	0.7
112.04854	4.1
114.05597	1.0
125.02544	0.7
127.04012	77.8
128.04350	3.2
137.02454	6.1
140.01151	1.6
154.99937	1.2
155.03499	33.0
156.03972	0.9
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
59.84540	0.4
65.00329	0.5
66.03490	1.4
69.03449	0.3
69.17670	0.3
69.44275	2.0
74.46484	0.2
80.02707	0.3
80.96529	0.3
81.03436	0.9
83.01385	0.4
92.27905	0.3
95.01410	0.3
97.02924	0.3
98.19949	0.5
108.02176	2.1
108.04543	1.2
108.05318	0.4
109.02953	16.4
109.06579	0.7
110.00080	2.1
116.41085	0.3
121.02952	1.1
122.03740	47.2
123.03973	1.9
124.04872	0.6
124.98916	0.3
125.02430	1.1
127.30766	0.3
137.01997	0.7
137.99588	3.0
138.03246	0.4
151.00334	0.6
151.87450	0.4
152.03531	100.0
153.01965	4.7
153.03871	4.3
153.05556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
57.03442	6.8
63.02397	4.1
65.00325	17.2
65.03951	0.8
67.01894	5.6
68.99813	12.8
71.27379	1.7
81.03470	4.9
83.01387	45.9
83.64951	0.7
84.01732	1.3
85.02934	6.4
95.01396	2.2
96.96017	1.6
97.02943	2.0
106.10906	0.8
107.01388	22.2
108.02179	18.5
109.02955	50.1
110.00088	8.7
110.03293	1.3
111.00889	2.6
113.06777	0.8
123.00910	1.2
123.04526	10.0
124.04053	2.2
125.02448	18.9
126.02790	1.0
137.99608	8.6
138.03159	1.2
151.00363	64.2
152.00717	3.0
153.01935	100.0
153.05537	3.5
153.86806	0.8
154.02312	4.1
154.05057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
64.47183	0.4
65.00325	0.6
65.03634	0.9
65.03964	15.6
67.01886	8.0
68.99809	0.6
70.99430	0.8
81.03439	0.8
81.04958	0.5
83.01374	0.6
83.05051	0.5
91.01891	5.0
97.06583	0.5
108.02172	1.3
109.02950	100.0
110.00082	2.5
110.03297	3.3
123.04583	0.9
124.04018	0.7
125.02410	1.5
135.00885	25.9
136.01241	0.8
137.99605	2.9
138.03255	0.6
149.39418	0.4
151.00336	1.4
153.01932	58.7
153.05566	1.8
154.02359	2.6
154.04964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
57.03446	0.3
61.98841	0.4
65.00330	0.5
66.03492	0.3
67.01878	0.3
68.99819	0.7
69.03468	0.4
70.97720	0.4
70.98049	0.4
72.99298	0.3
75.44186	0.3
80.02676	0.4
80.05054	0.2
81.03445	1.7
82.02991	0.7
83.01405	1.0
85.02953	0.4
93.03427	1.1
95.01385	0.6
95.05035	2.0
96.37406	0.2
96.96028	0.3
96.99335	0.3
97.02959	0.4
104.96939	0.3
105.03471	0.5
107.01366	0.4
107.05050	0.4
108.02160	2.1
109.02959	12.0
109.06608	0.8
110.00103	3.8
110.03261	0.5
112.04040	0.4
121.03014	0.5
122.03745	2.2
123.04526	100.0
124.04030	4.9
124.04868	4.5
124.98829	0.4
125.02478	1.8
128.98854	0.2
135.04559	0.3
135.08176	0.7
136.04016	1.8
137.02390	0.4
137.99597	4.9
138.03209	0.4
151.00360	1.0
153.01950	5.8
153.05571	14.1
153.09222	0.9
153.86885	1.4
154.02547	0.3
154.05029	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	151.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33422	0.6
56.58245	0.5
59.01374	3.6
63.02398	8.4
65.00323	100.0
66.00652	2.7
66.03487	1.3
69.21586	1.3
69.21994	6.0
71.01381	8.2
73.02940	2.4
73.47948	0.7
81.03471	1.0
83.01385	36.1
84.01693	0.9
85.02968	0.7
89.02461	3.0
93.03456	1.3
93.70003	0.6
95.01387	1.4
95.05009	0.8
97.65708	0.6
101.02490	3.4
105.03476	0.8
107.01390	63.0
107.05020	4.7
108.02296	3.8
108.04561	1.3
108.99335	1.0
109.02937	1.3
109.04131	0.6
111.66124	0.6
117.01925	0.9
121.03003	0.7
122.03742	4.5
123.00888	1.8
123.03620	1.1
123.04521	20.5
124.01645	2.7
136.01660	24.4
150.03247	2.2
151.00378	28.2
151.04004	18.9
151.06091	2.1
151.07666	1.1
151.67429	0.6
152.00883	1.1
152.03525	2.3
152.07104	1.1
154.02673	0.7
169.01472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0398
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
59.01367	2.8
59.10820	0.7
59.35936	0.8
60.36208	0.8
65.03962	22.8
66.03493	1.9
67.01889	27.4
71.01385	4.3
71.50946	1.0
73.02957	2.1
79.05503	0.8
80.70682	0.8
81.03452	3.0
83.01392	3.5
83.05022	9.7
84.70622	0.7
89.02444	1.9
91.03442	0.7
93.03467	2.5
95.01363	2.0
95.05013	2.8
101.02447	3.2
105.03448	5.9
107.01396	1.8
107.05027	45.1
108.02172	8.1
108.04612	1.1
108.05364	2.0
109.02948	14.4
121.02972	2.4
122.03733	15.5
123.00903	3.8
123.04525	72.1
124.01697	0.8
124.04896	2.1
133.02989	1.9
134.03709	1.1
136.01666	16.9
139.03964	1.0
149.02486	1.3
150.03221	3.5
151.04004	100.0
152.04494	3.9
154.02696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	Ribulose
Peak:m/z	Relative Intensity
55.01883	2.3
59.01376	7.9
69.03463	3.9
69.76292	5.1
69.76653	2.0
71.01378	36.4
72.99297	2.2
73.02553	1.9
73.02950	26.9
75.00887	5.5
85.02959	2.0
87.00874	10.0
87.44021	1.1
89.02444	100.0
90.02771	1.9
101.02438	1.7
103.04031	5.9
131.03481	8.4
149.04556	32.2
164.14812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0608
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
57.60469	0.2
71.01373	1.6
71.52084	0.5
72.99281	0.3
73.02945	0.6
81.03471	0.3
84.80479	0.3
87.00867	1.0
89.02445	3.5
93.03448	2.3
94.99314	1.1
95.01364	0.4
95.05025	0.4
103.05543	0.5
104.97728	0.4
105.03481	0.3
106.04225	0.6
108.02174	3.5
111.00881	0.5
118.18474	0.3
119.04982	0.9
121.02947	3.8
121.06591	1.1
122.03744	5.5
123.04556	0.5
124.01656	1.1
129.03465	0.7
130.04251	1.4
131.05026	1.5
134.03741	1.5
137.02458	1.2
139.03967	0.6
146.03749	0.3
147.04517	6.6
148.05310	14.6
149.02586	1.9
149.06073	100.0
150.00198	0.5
150.03139	0.5
150.06451	5.7
154.02759	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	150.0322
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
50.64699	1.0
55.19698	0.9
59.01374	6.2
63.02386	1.2
65.54733	1.0
66.03478	0.8
67.01909	1.1
71.01384	12.4
71.51594	0.8
73.02945	3.5
79.01884	1.0
79.40965	0.8
89.02453	5.5
90.02743	1.3
93.03455	2.1
95.01371	2.4
101.02426	6.0
106.04321	1.1
107.01387	2.4
107.05025	5.0
108.02162	3.4
108.04576	3.4
117.01948	1.3
121.02944	3.5
122.03848	5.9
122.06133	1.5
123.00900	2.5
123.04524	14.5
136.01666	19.4
137.02411	2.7
139.04002	3.6
149.02434	7.2
150.00298	4.9
150.03224	100.0
150.05571	6.3
151.00502	1.3
151.04025	19.6
151.06030	2.2
151.07614	1.6
154.02753	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44270	0.5
56.31168	0.5
59.01384	0.6
60.65353	0.5
63.02396	8.9
65.00324	100.0
66.00654	2.3
69.23802	5.2
70.12679	0.6
71.01388	2.1
73.02980	0.7
81.03461	1.0
81.39151	0.5
83.01387	36.4
84.01743	1.0
85.33958	0.6
89.02457	0.9
89.07073	0.6
95.01352	0.6
95.76820	0.6
101.02431	1.3
105.03438	0.8
107.01390	64.6
107.05024	1.1
108.01632	0.8
108.02247	1.0
108.25407	0.6
108.99268	0.7
112.51874	0.6
122.03751	2.3
123.04523	10.7
124.01682	2.2
136.01672	7.9
145.94612	0.7
146.73178	0.6
150.03183	1.9
151.00369	28.7
151.04010	7.2
151.06094	0.9
152.00763	2.2
152.03444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
52.39144	1.1
53.44992	0.9
57.03447	21.8
59.01382	1.8
59.71179	1.0
69.82151	1.2
69.82784	3.0
71.01395	0.9
72.99304	45.0
73.02935	8.7
85.02949	100.0
86.03281	5.0
87.00876	37.5
88.01213	1.6
101.02440	3.1
103.03996	9.0
121.31234	1.3
129.01942	21.4
136.06306	1.1
138.58777	1.0
147.02994	26.7
156.30170	1.0
156.55821	1.0
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
57.03449	31.2
59.01359	4.5
66.23829	1.6
69.03432	1.7
70.72834	3.6
71.01379	13.2
71.05012	8.0
72.99306	53.1
73.02953	8.1
85.02952	100.0
86.03296	3.3
87.00879	26.7
97.80489	1.5
98.20676	1.3
99.00886	1.6
101.02438	6.1
101.06056	4.5
103.04021	9.2
113.02434	1.8
115.03986	2.6
115.14854	1.5
126.96786	1.4
129.01941	19.4
135.52559	1.3
147.02979	23.3
147.06628	37.4
148.06938	2.4
168.31450	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	147.03
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
51.33020	0.7
57.03448	21.3
59.87551	0.9
61.98794	0.9
67.14738	0.7
71.24744	1.9
72.99305	60.1
73.02950	11.5
73.17374	0.8
85.02949	100.0
86.03272	3.0
96.15029	0.8
101.02443	4.0
103.04008	5.3
107.42809	0.7
129.01952	23.6
130.02299	1.0
133.33434	1.0
147.03003	22.7
147.04370	1.5
148.03391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0663
Annotation	Olivose
Peak:m/z	Relative Intensity
57.03448	31.3
59.01362	3.4
70.62403	5.1
70.88057	1.7
71.01382	12.8
71.05014	6.5
72.99310	56.8
73.02946	12.2
81.39904	1.6
85.02950	100.0
86.03295	3.5
87.00887	16.0
101.02444	7.2
101.06088	5.1
103.04000	8.3
108.04292	1.8
129.01944	19.6
147.03004	17.0
147.05540	3.0
147.06648	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01365	0.6
71.01383	3.3
71.27107	0.4
71.49220	0.8
73.02937	1.0
74.02475	1.0
82.02968	0.6
82.77419	0.4
83.01364	0.8
84.04540	0.7
85.02905	0.9
92.95978	0.4
96.80450	0.4
101.02434	6.0
101.66415	0.4
102.05607	100.0
115.00375	4.2
128.03539	35.8
135.05986	0.4
144.95503	0.8
146.04587	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	145.0507
Annotation	3-Methylglutaric acid
Peak:m/z	Relative Intensity
70.94006	1.6
71.01372	1.2
83.05029	3.4
86.84382	0.7
87.00902	0.8
98.14949	0.6
101.06080	100.0
102.05675	4.9
102.06310	4.5
117.03452	4.5
125.19939	0.6
127.04022	6.4
128.03555	1.5
141.22913	0.7
144.96494	0.8
145.03023	4.2
145.04004	1.2
145.05064	13.5
145.06960	4.5
146.02437	3.6
147.97589	0.8
157.26575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
64.48184	0.7
68.19179	0.8
69.80923	1.2
69.81316	2.5
82.03132	0.9
88.85716	0.8
97.06576	2.8
97.07149	0.8
99.08154	100.0
100.08504	4.2
102.05679	1.0
137.90826	0.8
141.29449	0.7
145.07051	1.4
145.08702	30.7
146.02466	1.5
146.09055	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92848	0.6
69.41639	1.9
69.42063	3.7
97.06578	3.5
98.20612	1.1
99.08157	100.0
100.08486	4.3
102.05590	1.4
115.90710	0.6
120.29390	0.7
122.76427	0.8
127.07684	1.2
143.07179	1.9
145.06978	1.5
145.08711	31.4
146.02493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41610	0.7
59.01394	0.8
60.32912	0.7
70.72640	2.0
71.01025	0.8
71.01375	4.6
74.02473	1.2
76.55396	0.7
85.02951	2.0
87.00842	1.0
99.00894	1.4
102.05612	100.0
103.05946	2.2
106.62910	0.7
115.00377	2.9
123.27460	0.7
128.03554	32.1
129.03893	1.2
129.71663	0.7
134.56326	0.8
146.04591	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	147.03
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
57.03449	26.9
59.01376	12.4
61.98823	2.3
69.64708	5.9
69.65128	3.5
71.01372	8.6
71.05029	2.6
72.99304	26.0
73.02943	6.1
83.29155	1.9
85.02949	97.0
86.03291	3.9
87.00875	100.0
88.01249	2.6
90.25315	1.6
96.33080	1.5
97.04695	1.3
99.00865	2.0
101.02456	6.0
102.05627	1.8
103.04018	8.4
103.05902	2.2
104.27544	1.6
111.81982	1.5
129.01933	17.9
142.42859	1.5
147.03000	29.7
147.06674	4.0
148.04117	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	144.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
55.14821	1.0
69.03455	6.9
69.54031	1.5
69.54433	3.2
71.88367	0.9
72.00916	1.0
80.05073	2.1
85.05799	0.8
87.00802	0.9
88.04060	0.9
94.62786	0.8
98.06117	14.0
99.00813	0.7
100.07703	2.4
125.02450	2.5
126.05637	2.7
142.05098	4.2
144.06665	100.0
145.06995	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	144.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46880	0.7
69.03440	6.4
70.66748	1.6
71.01377	1.5
72.00906	1.7
80.05058	2.5
87.00873	1.1
88.04023	1.4
98.06114	13.1
100.07680	3.5
125.02439	1.6
126.05592	2.9
142.05083	3.4
144.06660	100.0
145.07018	5.0
164.26555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.6
60.87646	1.8
70.54292	3.8
70.54646	2.3
71.01376	6.7
73.02959	7.6
79.46001	1.5
80.83939	1.6
83.01402	3.4
85.02995	1.8
86.02487	1.5
101.02438	31.5
101.03098	2.0
102.05605	100.0
103.35596	1.6
114.95519	2.1
115.00366	12.8
128.03534	29.7
130.72852	1.4
131.50945	1.7
144.95523	2.0
145.01430	2.2
146.04568	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01365	0.6
71.01383	3.3
71.27107	0.4
71.49220	0.8
73.02937	1.0
74.02475	1.0
82.02968	0.6
82.77419	0.4
83.01364	0.8
84.04540	0.7
85.02905	0.9
92.95978	0.4
96.80450	0.4
101.02434	6.0
101.66415	0.4
102.05607	100.0
115.00375	4.2
128.03539	35.8
135.05986	0.4
144.95503	0.8
146.04587	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	143.0715
Annotation	alpha-Ketopantoate
Peak:m/z	Relative Intensity
57.03449	1.1
59.01381	1.7
60.69921	1.0
69.03457	10.6
69.23960	2.6
69.24368	7.1
71.01385	5.7
72.00905	2.1
72.99310	38.0
80.05065	1.5
81.03452	1.7
83.05016	1.4
85.02938	2.8
87.04526	1.3
88.04044	1.8
95.05039	1.4
97.06589	36.1
98.06129	12.9
98.06775	1.8
99.04532	1.8
99.08138	1.4
100.07703	2.1
103.03770	1.0
115.04003	1.2
125.02450	5.4
125.06082	53.4
126.05588	2.6
126.06448	2.6
142.05099	6.6
142.99826	1.1
143.03514	3.3
143.07141	12.6
143.10744	5.8
144.04715	9.3
144.06664	100.0
158.23953	1.0
162.74326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.8
57.35634	2.7
59.01364	12.5
67.01888	6.0
68.99816	11.6
69.03455	19.0
69.71801	4.6
69.72199	13.1
70.02962	5.9
71.01383	6.9
83.01392	6.6
85.02953	16.0
94.02967	9.7
95.01360	17.7
96.04571	16.3
97.02953	15.7
98.02473	5.0
98.20620	6.6
99.00847	7.3
100.76677	2.9
100.93892	3.2
104.08632	3.1
105.44325	3.1
111.00871	14.5
112.01215	5.3
112.04045	3.6
113.02461	9.4
118.95977	3.2
123.00891	6.7
125.99580	5.8
139.00372	8.2
140.01085	9.3
140.03526	100.0
140.04575	7.9
140.07156	4.0
141.01959	31.0
141.05576	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	142.0662
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.06683	0.4
51.13555	0.4
52.35067	0.4
55.60823	0.4
63.16002	0.4
70.93524	1.0
96.05637	0.4
109.76123	0.4
116.05061	4.0
134.24969	0.4
140.05055	1.3
142.06619	100.0
143.06966	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	8.8
59.01374	5.0
68.99823	2.6
69.03455	8.2
71.01383	18.8
71.49290	2.6
72.00912	2.1
78.49074	1.3
80.05059	2.5
80.40135	1.2
80.99830	2.3
83.01402	4.3
87.00883	3.4
88.04067	1.8
96.99309	11.2
98.06099	17.2
100.07697	2.1
112.98811	13.4
115.00369	5.1
124.98799	26.2
125.02455	2.8
126.05606	1.6
140.98294	4.9
142.05103	5.0
142.99875	35.5
143.03487	1.7
143.10878	1.6
144.00284	1.9
144.06665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	27.9
57.12583	3.2
59.01366	8.5
68.99798	7.3
69.03457	7.2
70.18860	11.8
71.01377	51.6
80.99812	6.5
87.00859	20.9
96.99317	27.4
98.06120	10.0
112.98808	43.5
115.00349	3.9
124.98812	54.3
125.02444	4.5
125.06056	3.9
125.99114	4.3
131.42340	4.3
140.98268	9.1
142.99863	100.0
143.03577	4.0
143.07053	3.5
144.04547	6.7
144.06668	83.3
148.11314	3.6
158.99133	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	143.0715
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
50.16848	1.6
53.00307	2.4
57.03447	2.9
59.01371	2.3
69.03445	12.0
71.01392	8.4
71.05019	4.7
71.37257	2.0
71.50503	2.3
72.00889	3.1
73.28705	1.5
80.05084	1.8
81.03447	5.0
83.05022	13.7
84.20243	1.7
87.04535	1.8
88.04042	1.7
88.53362	1.7
96.99300	3.5
97.06586	18.7
98.06124	13.5
99.04512	3.7
99.08158	61.3
100.08500	4.5
112.98815	2.7
124.98775	5.7
125.02444	4.6
125.06071	10.7
126.05617	3.3
142.05081	5.9
142.99879	9.0
143.03558	3.6
143.05162	2.0
143.07153	9.5
143.10751	3.1
144.04564	53.9
144.06654	100.0
147.72568	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	137.0245
Annotation	Sesamol
Peak:m/z	Relative Intensity
58.90030	0.7
63.31217	0.7
65.03989	1.0
67.01882	0.9
69.03455	33.0
70.03784	1.3
70.81326	2.6
83.01385	100.0
84.01706	2.7
87.69775	0.7
93.03458	23.6
94.03822	0.8
95.01360	1.2
99.80382	0.8
106.67597	0.7
108.02155	2.2
109.02950	31.0
110.03308	1.4
115.52454	0.7
137.02441	85.1
138.01938	2.2
138.02863	4.5
145.53824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
52.52495	0.2
64.47623	0.3
65.03963	1.1
69.20170	2.1
69.20509	0.2
72.17966	0.2
93.03457	100.0
94.03796	5.2
132.76721	0.2
137.02438	12.8
138.02785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19573	0.2
65.03957	1.1
70.43900	0.5
70.44225	0.3
84.91891	0.2
93.03455	100.0
94.03786	4.9
118.09229	0.2
137.02438	13.1
138.02771	0.8
143.29016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.26480	0.5
54.99193	0.5
69.41821	4.0
83.01398	0.7
94.02999	0.7
94.03792	2.0
108.02174	81.5
109.02514	4.0
111.00874	1.8
138.01968	100.0
139.00433	0.8
139.02325	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	138.0198
Annotation	6-Hydroxynicotinic Acid
Peak:m/z	Relative Intensity
54.22028	0.4
55.01874	0.5
66.03490	1.0
67.01888	0.9
70.38403	1.4
71.01403	0.5
76.59090	0.4
77.23035	0.4
79.26357	0.4
83.01389	0.4
92.05042	0.9
94.02983	100.0
95.03311	4.0
95.32920	0.4
95.83604	0.4
96.96014	1.1
98.20631	0.6
108.02159	1.3
108.04557	1.6
111.00858	3.5
111.04449	0.5
120.99607	0.4
123.00872	0.4
123.03268	1.8
124.01642	1.0
138.01964	12.6
138.02931	1.0
138.05609	2.9
139.00380	1.2
139.03987	0.8
146.87164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0167
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
63.37772	0.8
64.01933	1.0
65.03974	1.2
67.01879	1.1
69.03448	3.9
69.14949	2.8
69.15365	7.3
70.28514	0.8
71.43209	1.0
79.01469	0.9
81.03447	2.4
83.01389	5.6
91.01888	1.3
92.05067	14.1
93.03462	100.0
94.02967	3.1
95.01397	9.4
96.31205	1.0
97.02899	1.2
98.19916	1.8
101.71470	1.1
108.02177	66.7
108.04536	1.8
109.03043	7.6
122.03743	1.5
135.89453	5.9
136.01666	51.6
136.03920	6.6
136.04916	5.5
136.07649	0.9
136.86288	7.1
136.89183	13.6
137.02454	58.1
137.06079	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	136.0405
Annotation	Anthranilic acid
Peak:m/z	Relative Intensity
64.95131	0.2
65.00279	0.3
65.03964	0.8
70.43250	0.5
72.01692	0.3
72.99294	0.3
75.00863	1.6
76.01199	1.2
77.01277	0.2
78.95887	0.3
81.03453	1.0
84.81143	0.2
92.05057	100.0
93.03451	12.1
93.05387	4.9
93.05972	0.4
94.02998	0.4
104.70798	0.2
108.04549	0.3
109.02969	1.5
121.60043	0.2
121.70824	0.2
128.74440	0.2
129.72227	0.2
135.89478	0.5
136.01672	0.3
136.04053	4.0
136.89200	1.4
137.02429	4.2
137.03397	0.5
137.04337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0405
Annotation	Anthranilate
Peak:m/z	Relative Intensity
65.03957	0.3
71.05064	0.5
73.05333	0.3
78.95934	0.4
81.03458	0.4
88.70851	0.3
90.08208	0.3
92.05061	100.0
93.03458	31.3
93.04785	0.5
93.05389	5.3
94.02959	0.3
101.72137	0.3
108.02181	1.6
109.02979	1.6
115.53044	0.3
122.03746	0.9
135.04070	0.3
135.89482	1.5
136.01721	1.4
136.04019	4.9
136.04904	1.0
136.86279	0.5
136.89194	5.0
137.02443	12.8
137.03505	0.7
137.06055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
59.01366	4.0
63.13323	1.4
67.30099	1.3
71.01390	1.7
71.51945	2.1
72.99305	4.3
75.00868	25.8
89.02486	2.4
91.05532	21.9
92.05055	4.4
93.03461	5.9
97.71604	1.5
99.92571	8.0
106.04230	3.4
107.05038	15.1
108.02171	4.9
116.20119	1.4
134.03749	11.1
134.86572	28.6
134.89468	100.0
135.02942	4.8
135.04517	70.2
135.89467	10.5
136.04028	8.8
136.04886	4.5
147.07057	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	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86949	0.3
63.21386	0.3
65.01442	1.3
66.74328	0.3
68.02536	0.8
70.07324	0.6
70.07746	0.8
70.51529	0.3
71.01363	0.5
71.79301	0.3
72.01697	0.3
72.99299	0.3
75.00874	1.3
75.77048	0.3
80.02548	0.5
92.02544	10.2
107.03635	37.4
108.03345	0.3
108.03986	1.1
116.00749	0.4
117.02050	0.3
117.52084	0.3
134.04726	100.0
135.05231	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	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
50.42074	0.3
51.45012	0.3
55.01879	0.6
58.00587	0.7
59.01377	10.7
71.01387	5.6
71.48524	0.4
71.48968	0.4
72.01718	0.5
72.99309	18.3
73.01802	1.0
73.02943	0.7
75.00873	100.0
76.01217	1.6
87.00875	8.3
89.02451	7.8
90.02789	0.4
99.00848	0.4
109.46066	0.3
115.00343	0.5
117.00808	2.0
117.01913	1.8
135.03000	21.6
135.04561	0.6
136.03342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01381	9.3
64.46565	0.5
68.05018	0.5
70.77163	1.0
70.77481	0.7
71.01379	9.3
72.99309	15.4
73.01790	2.8
73.02941	1.0
74.99728	1.4
75.00874	79.6
76.01205	1.1
85.02935	0.8
87.00878	9.3
89.02451	6.0
90.02804	0.5
92.05061	100.0
93.03417	0.8
98.19917	0.6
106.87421	0.6
107.04996	1.3
115.00396	2.2
117.00806	7.4
117.01931	1.3
130.20433	0.6
134.03772	1.2
134.89461	3.3
135.01877	2.4
135.02989	19.1
135.04478	4.3
136.04022	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	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57161	3.0
61.09632	3.3
62.83102	3.0
72.01684	3.9
75.00872	15.1
91.13396	3.2
92.02551	5.0
98.19859	7.3
100.87923	3.1
106.04244	12.4
107.03633	15.1
107.05034	11.6
130.09258	3.0
131.06038	3.6
133.02991	4.2
134.03731	100.0
134.04729	26.1
134.86545	31.5
134.89468	64.9
135.03011	3.5
135.04536	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	2.0
71.01386	1.6
71.46867	1.9
71.78397	1.4
72.01719	2.1
72.99297	3.0
74.71476	1.5
74.81228	1.6
75.00872	12.9
76.18117	1.2
91.05521	6.5
92.02530	4.6
93.03468	16.0
99.92583	3.4
106.04259	6.8
107.03635	14.3
107.05027	11.8
108.02157	6.4
113.26637	1.6
116.00668	3.1
123.04514	1.5
132.59831	1.5
134.03714	37.2
134.04727	30.9
134.86560	22.1
134.89474	55.5
135.02904	3.3
135.04523	100.0
139.79364	1.4
151.03033	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01369	1.1
66.05889	0.9
69.63004	4.9
71.01379	80.8
72.01694	2.1
72.99307	23.6
74.99093	0.9
80.56438	1.0
87.00845	1.6
89.02445	8.2
93.02597	1.0
94.51389	1.0
98.19990	2.0
115.00368	100.0
116.00691	3.7
133.00473	1.4
133.01425	21.0
148.04439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21169	0.9
58.38910	1.0
59.01385	1.8
59.41119	0.9
70.67339	1.9
70.67668	1.2
71.01382	82.7
72.01720	3.2
72.99310	22.3
87.00891	3.5
89.02444	10.3
111.61829	0.9
115.00374	100.0
116.00698	3.8
120.66949	1.1
133.01422	18.3
133.05052	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.6
59.78162	1.9
69.66302	9.0
69.67510	1.8
69.86638	2.2
71.01379	89.2
71.01781	4.2
72.99307	26.1
79.14191	1.8
83.71126	1.9
85.12923	1.9
87.90368	1.6
89.02444	7.5
89.04906	2.3
91.35684	1.8
91.45795	2.2
114.78040	1.8
115.00366	100.0
116.00711	4.7
121.92176	1.8
133.01428	21.8
144.53629	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	134.0375
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
59.01374	1.8
60.47974	1.5
71.01388	3.2
71.50372	2.3
71.50746	1.6
72.01711	2.0
72.99310	4.4
75.00867	22.5
89.02483	1.4
91.05543	5.3
92.02537	1.9
93.03441	16.4
95.01386	1.8
99.92586	3.0
106.04252	6.0
107.03648	14.3
107.05019	19.5
108.02173	6.8
116.00725	3.5
134.02518	3.6
134.03725	36.6
134.04738	35.8
134.05852	2.3
134.06166	2.0
134.86557	24.1
134.89468	51.0
134.90498	2.6
135.02905	3.3
135.04521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0303
Annotation	L-Aspartic Acid
Peak:m/z	Relative Intensity
56.05516	1.1
67.00207	1.1
70.02958	1.1
70.24009	1.1
71.01383	20.7
71.38725	2.1
72.00910	3.3
80.61134	1.2
82.20858	1.1
88.04040	100.0
89.04362	1.4
94.31466	1.1
114.01959	4.9
115.00373	24.5
132.03030	19.8
132.05618	6.1
152.61420	1.1
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	Unknow
Peak:m/z	Relative Intensity
59.01366	7.0
65.32325	2.0
69.66539	5.2
69.66952	6.3
71.01379	85.0
72.99309	23.8
87.00874	3.7
89.02441	7.7
91.67737	2.0
92.09302	2.4
98.54800	2.2
107.03606	2.6
115.00370	100.0
116.00682	3.6
120.66241	2.0
133.01447	18.6
133.04993	2.6
134.04720	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	132.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90972	0.6
59.01372	1.7
64.84830	0.5
70.02983	1.2
70.66409	1.3
71.01384	50.6
72.00912	8.4
72.99308	8.0
87.00920	0.6
88.04044	100.0
89.02454	3.1
89.03574	7.9
89.04395	2.3
114.01975	4.0
115.00377	63.1
116.00743	1.0
132.03032	20.2
133.01440	7.5
133.03340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.7
71.01007	2.0
71.01382	27.6
71.32862	1.3
71.33201	2.5
72.00921	3.5
72.99289	1.3
83.20958	1.2
83.87092	1.4
88.04042	100.0
89.04366	2.6
96.24039	1.1
105.03469	1.8
109.98186	1.2
114.01974	4.7
115.00370	30.0
132.03029	21.3
132.05702	1.5
133.01318	1.2
133.02965	2.5
138.22365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
50.09607	0.6
57.03439	0.6
69.03438	1.2
69.20071	6.9
71.01382	0.7
79.02258	0.6
83.05042	1.2
85.02965	2.0
85.06588	100.0
86.06928	3.2
87.04533	3.6
88.04060	1.1
113.06037	0.9
129.05582	1.3
131.07141	36.8
132.05687	2.0
132.07423	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	129.0194
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01869	1.7
55.27568	1.4
57.03445	4.0
62.54329	1.4
64.38026	1.2
67.01885	8.1
68.99818	1.6
71.01374	1.6
71.49632	2.1
81.03457	1.5
83.05022	12.1
85.02950	100.0
85.06613	1.5
85.14882	1.2
86.03289	3.2
88.04042	16.1
111.04496	2.2
112.39968	1.4
129.01950	6.7
129.05588	5.6
129.07524	11.5
130.05104	3.7
139.90016	1.3
140.06398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Itaconate
Peak:m/z	Relative Intensity
55.01859	1.7
57.03447	3.7
67.01895	7.7
68.18093	1.3
68.88938	1.2
71.01406	2.0
71.06416	1.9
71.06750	2.1
72.99308	1.5
83.05029	12.8
85.02951	100.0
86.03288	3.5
88.04040	16.8
98.98769	1.2
101.02419	1.3
111.04492	3.6
128.03534	2.1
129.01949	6.4
129.05620	7.3
129.07558	10.5
129.39532	1.2
130.05101	1.9
138.71680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03786	1.4
55.01894	1.4
58.81420	1.1
71.01374	5.5
71.05037	2.0
71.51741	2.3
71.52135	1.5
76.12718	1.3
81.03454	3.2
83.01372	2.9
83.05009	3.6
85.02944	5.0
89.39879	1.2
98.48909	1.3
110.90845	3.8
126.90440	35.9
127.00379	8.8
127.04036	9.0
127.07664	15.9
128.03545	15.4
128.07176	100.0
139.80661	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	128.0354
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
55.01885	3.3
57.03426	3.8
67.01886	10.7
70.61226	5.1
70.61572	2.1
82.02972	5.3
83.05031	3.2
84.04523	2.2
85.02944	28.5
86.02471	2.5
101.02477	2.3
115.85483	1.9
128.03539	100.0
128.07190	6.8
129.01901	2.3
129.03845	4.8
142.18460	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	128.0718
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
51.08956	0.7
51.16497	0.6
57.03433	2.0
58.79398	0.6
67.01885	2.9
71.06310	1.6
71.06690	0.8
83.05031	2.7
85.02943	18.0
100.06955	0.7
114.23753	0.7
121.00645	0.8
128.03554	6.8
128.07175	100.0
129.01945	2.1
129.05588	1.7
129.07524	4.3
148.86247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12674	1.2
55.36456	1.1
57.03445	1.5
66.67262	1.1
67.01886	2.1
70.38280	2.1
85.02939	1.4
89.02797	1.1
128.07179	100.0
129.07509	4.3
145.16296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16141	4.1
81.03460	17.5
83.05021	1.9
98.19939	1.4
126.90479	1.7
127.04015	54.9
128.03522	5.2
128.04388	2.3
128.07178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16141	4.1
81.03460	17.5
83.05021	1.9
98.19939	1.4
126.90479	1.7
127.04015	54.9
128.03522	5.2
128.04388	2.3
128.07178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0401
Annotation	Dihydrophloroglucinol
Peak:m/z	Relative Intensity
51.20142	1.9
70.15765	6.6
78.54861	2.1
79.42780	1.8
81.03455	19.7
83.05027	2.6
83.67085	2.0
98.19919	2.0
127.04014	62.9
128.03535	5.9
128.04387	3.2
128.07176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0401
Annotation	Dihydrophloroglucinol
Peak:m/z	Relative Intensity
54.05503	2.1
70.61320	2.0
71.26563	3.2
81.03461	28.8
83.05015	3.5
84.11157	2.2
85.02932	2.5
99.76144	2.2
122.79248	2.3
124.60416	2.0
126.90469	11.5
127.00395	3.8
127.04015	100.0
128.03491	2.9
128.04366	3.3
128.07176	37.3
131.52834	2.0
148.21864	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	127.0401
Annotation	Dihydrophloroglucinol
Peak:m/z	Relative Intensity
55.98895	2.7
60.41948	3.0
68.33687	2.9
69.48643	21.5
81.03458	31.3
126.90452	15.1
127.04015	100.0
128.03545	5.1
128.04387	4.2
128.07181	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.61538	1.5
59.01369	7.2
68.99815	1.9
71.01388	7.7
71.50654	2.6
82.02959	2.2
83.05022	2.9
85.02931	3.1
86.83807	1.6
90.55033	1.4
99.00890	4.1
109.06579	3.4
110.90882	3.0
126.90424	34.3
127.00364	11.2
127.04031	9.5
127.07646	33.9
128.03540	12.6
128.07169	100.0
140.88942	1.5
141.55449	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01353	0.6
69.30081	5.5
73.07964	0.7
77.07877	0.6
87.39227	0.6
91.05531	1.8
93.03452	4.8
97.93674	0.6
101.03963	0.8
101.92413	1.6
118.92693	2.5
119.05025	100.0
120.05354	6.5
136.64363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
56.18332	0.6
68.33601	0.6
69.20121	6.4
91.05531	1.9
93.03461	4.3
101.92393	0.7
115.56007	0.6
117.03429	1.2
118.92649	1.7
119.05023	100.0
120.05354	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.87434	0.3
50.98593	0.3
54.75729	0.3
58.95034	0.3
63.37488	0.3
65.03959	0.5
66.03471	0.4
67.07020	0.3
71.19053	0.3
71.50918	0.4
91.01895	1.0
92.02673	0.7
93.03458	4.7
94.02976	1.7
95.01387	0.9
108.02180	4.0
121.02956	100.0
122.02473	1.5
122.03300	6.2
125.15778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
56.36063	1.5
65.92178	1.6
69.19098	5.8
69.19520	9.9
79.58914	1.6
82.02931	1.6
89.85089	1.5
93.03454	7.4
94.02959	7.8
98.19915	3.1
108.02173	4.0
121.02950	100.0
122.02464	5.8
122.03310	5.7
134.52902	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01868	0.7
59.01356	0.4
60.68753	0.3
60.88441	0.3
69.68307	1.6
71.01383	0.3
73.02946	100.0
74.03267	2.6
98.19920	0.3
99.00880	8.6
100.01225	0.3
117.01940	11.0
118.02284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03016	0.3
81.03468	0.9
83.01386	2.6
89.03967	1.0
91.01890	0.5
93.03454	1.8
94.27777	0.3
95.01388	0.7
95.05026	0.8
97.02950	1.4
103.05541	0.3
105.03487	0.5
107.05039	1.7
108.02176	1.2
109.02952	8.8
117.03484	1.3
119.05028	0.6
120.02148	0.4
121.02940	2.0
122.03744	0.5
123.00932	0.5
123.04525	4.8
125.02445	100.0
126.02773	2.1
131.05003	1.5
132.02179	0.6
133.02962	8.0
135.00882	0.7
135.04494	1.8
137.02441	10.7
139.03989	1.2
143.04968	0.4
145.02962	0.9
146.03738	0.3
147.04539	1.8
148.01631	0.4
149.02451	3.3
149.06117	0.5
150.03215	1.0
151.00316	0.4
151.04004	9.7
152.04419	0.3
155.05008	0.6
157.06570	0.4
158.03763	0.5
159.04491	2.5
160.01653	0.7
160.05238	0.3
161.02435	35.8
161.06087	1.3
162.03191	2.3
163.00372	4.7
163.03995	3.5
164.01149	6.1
165.01909	5.4
167.03586	1.5
171.04475	0.5
173.02405	0.9
173.05986	1.6
174.03207	1.3
175.03992	17.7
176.01163	1.4
176.04335	0.6
177.01921	13.6
177.05534	1.0
178.02380	0.6
179.03510	1.7
183.04536	0.9
185.02553	0.5
185.06073	0.5
187.03992	4.0
188.04721	1.2
189.01881	2.6
189.05583	1.6
190.02713	0.9
191.03502	1.4
193.05086	1.3
197.06096	1.2
198.03152	0.3
199.02211	0.4
199.03990	5.5
199.07533	0.4
200.04576	0.5
201.01929	1.6
201.05545	2.5
202.02725	0.7
202.06203	0.6
202.99857	0.5
203.03477	3.6
203.07068	2.6
205.01387	1.1
205.05038	2.6
211.04050	1.8
212.04776	0.6
213.05560	1.4
214.02708	1.2
214.06223	0.3
215.03441	1.9
215.07065	0.6
217.01573	0.6
217.05025	8.3
219.03000	3.4
219.06587	1.0
225.05568	1.9
227.03453	2.4
227.07021	0.6
228.04236	1.0
229.01511	0.4
229.05049	2.8
230.05667	0.4
231.03012	1.6
237.05449	0.6
239.03455	0.6
240.08485	0.3
241.05064	1.3
242.02292	0.5
243.02966	22.7
243.06496	1.6
244.03554	1.5
245.04543	10.7
245.08180	3.5
246.04907	0.4
247.06232	0.5
251.03429	0.4
253.04996	1.7
254.05702	0.4
255.02972	7.0
255.06042	0.5
255.06622	0.4
256.03748	2.4
257.04492	2.7
259.06052	0.6
261.03964	5.8
262.04382	0.6
265.04999	0.7
267.02988	1.1
267.06549	0.8
268.03729	0.5
269.04541	4.7
270.05045	0.4
271.02567	0.4
271.06067	0.7
273.03986	1.7
277.05219	0.3
279.02902	0.5
280.03598	0.6
281.04587	2.7
282.01837	1.4
282.04895	0.4
283.02499	2.6
283.05701	0.6
284.03180	0.6
285.04041	3.2
285.07349	0.5
287.05597	34.3
288.02960	0.5
288.05951	1.8
289.07184	10.7
290.07678	0.4
291.06656	0.4
293.04584	1.4
295.02560	0.7
295.05981	0.9
296.02988	0.3
297.04025	1.6
297.07379	0.5
298.04968	0.4
299.05603	2.6
305.04541	0.6
309.04077	0.8
311.05548	1.0
317.04422	0.4
319.06009	0.6
321.04086	0.4
323.05539	0.4
327.05011	0.8
329.06772	1.4
333.07443	0.4
335.05627	1.0
337.07150	0.8
339.08780	1.1
341.06628	1.5
347.05600	0.6
359.05573	0.5
361.03311	0.6
361.07327	0.6
363.05161	1.0
367.08188	0.6
369.09698	0.3
373.03683	0.4
374.03876	0.4
375.05130	0.5
377.06335	0.4
379.08237	1.0
381.05896	0.6
381.10162	0.6
383.07962	0.5
387.05283	1.3
389.06772	0.4
391.04538	0.7
395.07776	1.4
405.06042	6.6
405.10693	0.5
406.06580	0.6
407.07681	15.0
408.07715	1.5
413.08719	9.5
414.09222	0.6
417.06216	0.7
419.07849	0.4
423.07120	6.1
423.12402	0.5
424.07822	0.5
425.08737	6.5
426.08704	0.4
435.07343	0.5
437.08563	0.4
447.07196	0.8
449.08734	17.4
450.08905	1.7
451.10382	5.7
452.07471	0.5
453.08942	0.4
467.09525	0.3
489.09024	0.5
493.11502	0.5
499.10678	0.5
517.11853	0.4
525.07886	2.1
527.09351	0.4
531.09631	1.2
533.10724	1.5
535.06750	0.4
541.08362	1.0
543.09009	1.9
549.10486	1.2
557.10742	1.6
559.12482	1.1
561.10413	0.6
567.09210	2.7
569.10675	2.1
575.11908	24.9
576.12152	2.6
577.13519	10.3
578.13824	0.8
585.10486	1.9
587.11902	4.7
588.11932	0.4
611.11914	2.3
615.11377	0.4
616.13196	0.4
617.13080	1.1
619.13898	0.4
669.15979	0.4
693.12366	3.2
695.14093	8.1
696.14777	1.0
701.15063	1.9
705.12286	2.0
711.13623	1.3
713.15039	3.6
723.13739	0.7
725.15735	0.5
737.14984	4.4
738.15588	0.9
739.16632	6.4
740.15997	1.1
778.16650	0.4
813.14819	1.5
831.15796	1.2
847.20062	0.8
857.17169	3.1
863.18170	2.7
864.18073	0.6
865.19879	8.5
866.20093	1.2
875.18445	2.1
901.19708	0.8
965.20477	0.5
983.20306	3.1
984.20239	0.8
1001.20551	0.6
1027.22754	2.3
1028.23547	0.5
1153.26294	1.1
1154.26392	0.4
1189.33081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03453	1.0
83.01381	3.3
89.03968	1.1
91.01894	0.5
93.03456	1.5
95.01374	1.0
95.05025	0.8
97.02941	1.3
103.71985	0.2
105.03477	0.9
106.63092	0.2
107.05034	2.2
108.02181	0.8
109.02951	8.3
110.03343	0.3
115.05534	0.3
117.03455	1.2
119.05044	0.8
120.02207	0.7
121.02953	2.2
122.03733	0.5
123.00941	0.3
123.04525	5.0
124.01665	0.2
125.02446	100.0
126.02808	1.6
130.04243	0.5
131.05022	2.1
132.02136	1.1
133.02957	7.1
133.06619	0.2
134.03651	0.3
135.00920	0.5
135.04535	2.0
137.02443	11.7
138.03145	0.2
139.04004	1.2
143.04990	0.4
143.09816	0.2
145.02927	1.1
145.06596	0.4
146.03729	0.5
147.04510	1.7
148.01654	0.5
149.02437	3.7
149.06090	0.8
150.03226	0.8
151.04004	10.2
152.04414	0.2
153.01961	0.2
155.05045	0.6
157.02980	0.4
157.06601	0.6
158.03738	0.5
159.04520	3.5
160.01724	0.4
160.05215	0.2
161.02440	35.5
161.06015	1.6
162.03192	2.6
163.00357	3.4
163.03998	3.5
164.01154	6.7
165.01932	5.6
165.32646	0.2
167.03494	1.7
171.04529	0.6
172.05278	0.2
173.02420	0.9
173.06050	1.3
174.03165	1.1
175.03995	16.9
175.07655	0.6
176.01096	1.1
176.04456	0.3
177.01927	12.5
177.05542	1.6
177.06976	0.3
178.02406	0.5
179.03506	1.8
183.04526	0.8
185.02449	0.4
185.06079	0.8
186.03236	0.2
187.03993	3.8
187.07600	0.2
188.04688	1.1
189.01935	2.2
189.05537	0.9
190.02713	0.7
191.03484	1.2
193.05086	1.0
197.06123	0.5
198.03197	0.4
199.03989	6.0
199.05763	0.4
199.07765	0.3
200.04605	0.5
201.01933	1.2
201.05591	2.5
202.02583	0.4
202.06277	0.7
202.99879	0.3
203.03470	3.1
203.07132	3.4
204.00668	0.2
204.04192	0.4
205.01440	1.4
205.05034	2.7
209.06056	0.4
211.03999	1.2
212.04822	0.5
213.01967	0.4
213.05528	1.5
214.02620	0.9
215.03476	1.6
215.07065	0.6
216.04291	0.3
217.01474	0.8
217.05032	9.1
218.05672	0.2
219.02997	4.3
219.06421	0.9
221.08238	0.5
223.03969	0.2
224.04721	0.3
225.05577	1.6
226.02730	0.3
227.03506	2.9
227.07152	0.8
228.04234	1.2
229.01407	0.3
229.05031	2.3
230.02335	0.2
230.05672	0.3
231.03001	1.5
231.06473	0.4
233.04610	0.3
237.05565	0.3
238.06306	0.2
239.03525	0.6
239.07135	0.2
240.04266	0.4
241.05051	1.3
242.02205	0.5
243.02972	23.9
243.06508	2.0
244.03568	1.2
245.04536	11.6
245.08180	4.2
246.04990	0.5
246.08643	0.2
247.06079	0.7
249.05661	0.3
251.03508	0.5
251.06895	0.2
253.05084	1.4
254.05942	0.3
255.02980	7.5
255.06546	0.5
256.03735	3.2
257.04547	2.1
259.02448	0.4
259.06174	0.3
261.04001	6.8
262.04428	0.3
264.04590	0.2
265.05011	0.4
267.02853	0.9
267.06662	0.4
268.03656	0.4
269.04510	4.8
270.05170	0.3
271.02557	0.4
271.06076	0.7
273.03979	1.8
279.03021	0.3
280.03748	0.3
281.04599	3.0
282.01660	1.8
282.05072	0.5
283.02420	2.3
284.03223	0.4
285.04099	2.8
285.07574	0.5
286.04675	0.7
287.05603	40.4
288.02936	0.3
288.05945	1.9
289.07169	14.0
290.07523	0.7
291.06732	0.3
293.04556	1.2
293.07773	0.3
295.02554	0.8
295.06168	1.0
296.03281	0.3
297.04001	1.1
297.07288	0.4
298.04907	0.4
299.05530	2.9
300.02771	0.4
301.03741	0.4
303.04962	0.3
305.04773	0.5
307.02567	0.2
307.06143	0.4
309.04068	0.4
311.05618	0.8
319.06134	0.6
321.04053	0.3
321.07748	0.2
323.05405	0.4
327.05203	0.8
329.06781	1.5
331.08551	0.3
335.05634	0.7
337.03436	0.3
337.07205	0.8
339.05341	0.3
339.08698	1.4
341.06717	1.2
347.05237	0.4
351.08762	0.3
353.06635	0.2
361.03418	0.6
361.07419	0.3
363.05038	1.2
363.08972	0.3
365.06500	0.5
367.08026	0.4
369.09668	0.3
375.04996	0.4
377.06650	0.4
379.08234	0.8
381.06030	0.7
381.09927	0.6
383.07532	0.5
387.05255	0.9
389.06372	0.4
391.04581	0.8
395.07492	1.4
397.05597	0.3
405.06067	6.9
406.06445	0.6
407.07706	18.0
408.07935	0.9
409.05057	0.3
413.08774	12.2
414.09134	0.8
417.05939	0.4
419.07950	0.2
423.07217	7.0
424.07510	0.6
425.08780	10.4
426.09180	0.7
431.07678	0.4
433.09338	0.9
435.07193	0.8
437.08478	0.3
447.07034	0.6
449.08719	9.8
450.09192	0.8
451.10336	6.7
452.07285	0.5
453.08127	0.3
457.09061	0.4
465.08264	0.5
467.09772	0.7
475.10306	0.2
505.11420	0.2
515.09338	0.3
517.11963	0.2
525.08331	1.4
526.08704	0.2
531.08716	1.3
533.10565	1.4
541.08081	0.2
543.09125	1.0
549.10486	1.5
557.11090	1.0
559.12469	1.3
561.10565	0.4
567.09076	0.4
569.10760	1.0
575.11920	14.5
576.12152	1.3
577.13531	14.2
578.13708	1.7
585.10120	0.6
587.12000	2.7
616.11786	0.4
617.12512	0.4
619.14105	0.4
629.12671	0.3
651.11639	0.5
669.14777	0.3
677.13135	0.4
687.11444	0.3
693.12262	1.8
694.12518	0.4
695.14038	5.6
696.14111	0.4
701.15039	2.6
702.15503	0.3
705.11444	0.3
711.13660	0.9
713.15112	1.7
714.15448	0.3
737.15253	1.1
739.16711	4.5
740.15497	0.8
755.15924	0.3
805.18042	0.3
813.14667	1.1
821.17529	0.3
831.15338	1.3
847.19238	0.8
849.16681	0.8
857.17487	0.6
863.18201	2.2
864.18256	0.4
865.19720	4.8
866.20410	0.5
875.18390	0.5
888.75775	0.2
907.21252	0.3
965.19446	0.5
983.20447	3.4
984.21088	0.8
1001.21021	1.5
1002.20984	0.3
1027.23767	0.9
1153.26428	1.2
1154.25610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0401
Annotation	Ethyl pyruvate
Peak:m/z	Relative Intensity
59.01373	3.7
69.03446	7.4
70.27599	6.6
70.27934	5.1
70.32562	2.4
71.01377	100.0
71.05016	14.7
72.01720	2.8
74.02496	2.1
87.00895	4.8
88.12832	2.4
97.02940	3.7
115.00354	9.3
115.04012	35.3
115.05916	5.3
116.07146	8.8
131.31673	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	1151.564
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	2.6
83.01390	5.7
85.02938	0.5
89.02439	0.7
93.03461	3.1
95.01388	1.6
95.05025	3.4
97.02950	7.6
98.19864	0.8
98.20570	1.4
101.02436	1.2
104.59231	0.3
107.05029	0.8
108.02185	2.0
109.02953	21.8
110.03263	0.5
112.18185	0.3
113.02475	0.5
117.03471	0.7
119.03511	0.4
119.05022	0.3
121.02956	5.7
122.03757	1.8
123.00838	0.5
123.04523	15.6
125.02447	16.2
125.09727	0.6
126.02800	0.5
126.78442	0.3
129.03613	0.3
131.05031	0.5
133.02943	1.2
135.00900	0.5
135.04521	3.7
137.02448	21.3
138.02936	0.5
139.04008	4.6
143.05011	0.5
145.02948	1.8
146.03740	2.6
147.04529	1.4
149.02440	7.4
150.03203	1.0
151.03996	7.7
157.06563	0.7
158.03723	0.7
159.04521	6.4
160.05284	1.9
161.02440	4.2
161.06076	8.9
162.03214	3.1
162.06462	0.3
163.00356	2.7
163.04019	1.5
164.01158	7.0
165.01930	7.5
165.05611	0.6
167.03513	2.5
173.02391	0.5
173.06056	1.3
174.03214	1.4
174.06839	0.4
175.03976	3.8
175.07610	2.9
176.01135	0.8
176.04454	0.3
177.01929	2.9
177.05598	1.3
178.02661	0.4
179.03496	7.9
183.01132	0.5
185.06006	1.6
187.04012	8.0
188.04774	5.5
189.01865	0.6
189.05475	0.5
190.02640	0.4
191.03398	0.4
199.07645	0.9
201.05576	1.3
201.09180	0.4
202.06358	3.1
203.03442	1.0
203.07130	18.6
204.04158	0.4
204.07460	0.6
205.05045	12.5
205.12283	0.4
207.10298	0.6
210.31908	0.4
212.04767	1.2
217.05067	1.0
217.08655	0.7
221.08231	3.1
223.13419	1.1
225.05539	0.5
227.07133	3.6
228.04082	0.3
229.05072	0.7
230.05905	0.6
231.02948	1.2
241.04982	0.4
243.06537	0.4
245.08171	23.0
246.08507	1.3
247.06088	1.8
247.13409	0.6
255.23264	5.1
256.23691	0.4
261.14963	0.3
265.14438	0.5
271.06137	1.6
273.11621	0.4
289.07172	71.9
290.07510	3.9
291.12372	0.5
303.11890	0.4
305.76675	0.3
311.16788	1.0
313.10916	0.4
313.14310	0.7
319.11877	0.4
325.06845	0.6
410.25531	0.4
435.18054	0.7
453.19052	0.5
495.76187	0.4
497.18152	0.7
705.11102	0.4
945.51587	0.9
967.51941	0.7
985.52863	0.5
999.51569	6.9
1000.52118	1.7
1089.29761	0.4
1107.53101	1.6
1133.55530	6.7
1134.55359	1.5
1151.56409	100.0
1152.56653	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	13.8
85.02925	3.3
87.00848	1.9
89.02440	6.7
92.54227	1.7
93.03464	9.3
95.01385	5.5
97.02949	6.0
101.02437	7.5
106.67973	1.9
109.02943	18.7
111.00884	3.0
113.02441	3.8
114.55991	1.7
119.03475	2.1
121.02975	19.1
122.03746	7.3
123.04593	2.7
124.01634	2.8
125.02451	53.9
126.02815	1.7
131.05042	1.8
133.02954	4.8
135.04498	5.2
136.01665	2.6
137.02448	83.2
139.04044	3.5
147.04507	6.2
148.05295	1.9
149.02440	22.5
149.06012	2.5
150.03249	21.7
151.03984	6.3
154.02750	1.8
158.03653	2.2
159.04538	7.9
161.02444	21.6
161.04541	4.9
163.00323	2.0
164.01135	13.4
165.01935	77.0
167.03365	2.3
172.05292	5.6
173.06055	10.4
174.03198	4.1
175.03996	17.8
177.01906	5.0
177.05551	5.6
179.03476	8.5
179.05586	2.4
183.01268	8.6
183.04555	2.2
183.13933	4.4
185.06017	2.9
189.05605	4.1
191.07161	2.4
199.04010	2.8
200.04701	2.2
201.05579	18.8
203.03459	4.5
211.13376	52.5
212.13817	2.6
215.07092	3.9
217.04987	4.2
219.06625	4.6
225.05525	2.5
235.08205	4.0
241.04997	3.6
243.06680	9.0
245.04565	3.5
255.23270	33.1
256.23737	2.0
258.05225	2.3
259.06116	17.7
269.04538	4.6
271.13254	2.0
287.05588	72.7
288.06281	14.1
289.07135	15.0
297.14713	2.5
311.16809	25.6
315.16174	3.9
379.12381	11.5
397.13516	25.0
415.14651	4.3
481.18292	2.1
517.93677	1.9
591.26538	9.0
609.27679	6.4
635.36566	8.2
653.37689	7.6
847.50543	15.6
848.51245	2.9
951.53076	3.8
967.52991	3.0
997.53796	10.7
1073.56409	2.3
1117.56067	19.3
1118.56592	4.6
1135.57056	100.0
1136.57300	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	114.0197
Annotation	Maleamate
Peak:m/z	Relative Intensity
51.62450	1.9
53.32931	1.8
54.07421	2.4
70.02979	100.0
70.87920	3.8
71.01381	9.8
71.03318	2.1
71.05031	2.9
72.36137	1.8
74.24552	2.3
79.72431	2.0
97.03024	2.7
97.93118	4.2
114.01941	6.2
114.05607	25.6
114.93387	8.4
115.04008	3.6
118.97007	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	1135.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	0.8
81.03449	2.4
83.01380	7.7
85.02950	1.1
87.00864	1.1
89.02442	2.4
93.03445	2.5
95.01418	1.6
95.05021	2.1
96.96022	0.9
97.02943	4.1
99.04510	1.0
101.02441	2.6
104.81601	0.7
108.02129	0.8
109.02966	4.8
109.03564	0.8
119.05012	1.3
121.02953	5.3
122.03709	1.9
123.04525	1.5
124.01669	1.2
125.02446	51.2
131.04938	0.9
135.04512	2.7
137.02444	32.2
137.03511	1.6
139.04008	1.3
145.02977	0.7
146.03717	14.0
147.04463	2.1
149.02394	2.0
149.05965	0.7
150.03183	1.8
151.03983	2.0
159.04437	4.8
160.05266	2.7
161.02425	2.4
161.06091	1.2
162.03203	1.2
163.00378	0.7
164.01135	8.9
165.01926	23.2
167.03488	7.1
172.05284	3.0
173.02597	0.7
173.06018	2.7
173.98190	0.6
174.03207	7.6
174.06839	2.5
175.03888	2.9
176.04753	1.2
177.01944	4.4
179.03462	5.2
181.05087	0.8
183.01204	15.2
184.01509	4.1
185.00711	2.6
185.06094	0.9
186.06891	1.0
187.04004	2.0
188.04735	3.0
189.05655	1.7
191.03474	0.7
196.05446	0.8
200.04721	3.0
201.05528	2.7
204.04199	3.7
209.06052	1.4
210.06796	1.6
211.07677	1.1
211.13347	1.8
212.04787	5.7
213.05495	1.4
216.00858	0.7
221.06651	1.0
223.07539	0.7
224.04730	1.3
224.08392	0.7
225.05518	3.8
226.06317	2.2
227.07127	1.0
227.30470	0.8
228.07912	0.9
230.05643	0.6
237.05533	1.9
239.07224	1.2
243.13797	0.9
244.07372	1.2
251.07030	2.2
252.07973	2.2
255.13858	2.1
255.23257	14.1
265.08560	1.1
268.07211	1.3
269.08380	0.7
269.11758	3.1
270.09000	2.4
271.13397	20.7
272.13849	1.2
279.06448	0.7
283.09778	0.6
283.13306	2.2
285.14886	1.5
287.05682	2.0
287.12949	1.1
288.06445	1.2
289.14368	3.9
294.08817	3.2
297.15073	6.0
299.12912	4.8
301.14319	2.3
309.14813	1.9
311.13068	1.4
311.16843	27.0
312.17169	15.2
313.17203	6.1
315.16025	1.8
317.13953	2.1
319.13205	0.9
320.06784	1.6
325.14420	5.9
331.15427	0.9
335.16528	2.8
337.14447	7.0
338.14957	0.8
343.15521	5.1
351.16031	1.7
353.13904	0.8
353.17624	1.9
355.15646	1.9
369.16943	1.1
377.17395	3.1
379.15448	1.8
393.16928	1.8
395.18408	4.2
397.12589	0.7
401.17722	1.4
413.19351	1.6
419.18628	11.3
420.18973	1.0
437.19644	6.1
445.16376	1.1
463.17569	2.4
481.18738	1.8
835.33563	1.3
847.51270	0.8
879.32941	1.4
967.51556	1.0
979.53772	3.5
980.52954	0.9
991.52631	10.1
992.52563	1.5
997.53772	7.6
998.54248	1.7
1009.54102	3.9
1033.53394	2.1
1073.56946	17.8
1074.57239	3.2
1091.55286	3.4
1099.53918	4.9
1100.55603	1.5
1101.26563	0.8
1117.55835	100.0
1118.56030	20.1
1135.56934	81.6
1136.57043	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	1135.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	2.4
83.01386	7.4
85.02945	1.0
87.00858	0.8
88.03436	0.4
89.02445	2.4
91.05551	0.5
93.03474	2.2
95.01398	1.1
95.05019	1.5
97.02945	3.8
98.03271	0.3
98.07038	0.3
99.04520	1.5
99.19283	0.4
101.02448	3.1
107.05022	1.0
108.02196	0.6
109.02953	4.0
111.00922	0.5
113.02453	1.3
119.03526	0.5
119.05054	0.5
120.02126	0.5
121.02945	4.3
122.03727	1.5
123.00896	0.4
123.04533	1.7
124.01656	0.8
125.02450	37.0
125.48251	0.3
126.02760	0.9
131.05029	0.7
133.02951	1.0
134.03755	0.4
135.04547	3.0
136.01619	0.3
137.02449	27.9
139.04016	0.9
146.03740	12.9
147.04565	1.7
148.05263	0.3
149.02458	1.7
149.06082	0.7
150.03209	1.0
151.03998	2.2
154.02698	0.7
158.03680	0.5
159.04523	5.8
160.05315	2.1
161.02429	1.1
161.04579	0.5
161.06052	1.5
162.03165	0.6
163.00372	0.8
163.03957	0.6
163.99902	0.6
164.01157	8.6
165.01930	19.8
166.02281	0.5
167.03513	8.0
167.04916	0.8
172.05296	3.9
173.06068	2.5
174.03215	7.8
174.06909	2.4
175.03975	2.0
176.04732	1.0
177.01935	3.7
179.02048	0.5
179.03511	4.8
181.05070	0.4
183.01222	2.7
183.04500	0.6
185.00694	0.4
185.06059	1.7
186.06813	1.6
187.04018	2.5
188.04793	3.8
189.05533	1.3
190.02692	0.6
191.03468	0.9
196.05305	0.5
197.06053	0.7
198.06795	0.5
199.03961	1.0
199.07693	0.7
200.04799	3.3
200.08401	0.7
201.05579	2.5
202.06276	0.9
204.04283	3.2
209.06093	1.5
210.06827	1.4
211.04039	1.7
211.07549	1.0
211.13361	0.5
212.04797	5.1
213.05463	1.1
214.06358	0.6
217.12355	0.4
221.06616	1.0
222.06862	0.4
223.07634	0.7
224.04733	1.3
225.05544	3.5
225.12753	0.6
226.06177	1.9
227.07103	1.2
227.10715	0.5
228.07921	0.8
235.07956	0.6
236.04820	0.7
237.05487	1.4
237.09448	0.4
238.06374	0.8
239.07185	0.9
241.12553	0.4
243.06642	0.4
243.13928	1.0
244.07344	1.0
250.06354	0.6
251.06989	2.2
252.07838	2.0
255.13892	1.9
255.23282	11.8
256.23642	0.7
265.08710	1.1
268.07285	2.3
269.08200	0.8
269.11841	2.2
269.15158	0.7
270.05273	0.4
270.08945	2.1
270.12491	1.0
271.13391	20.9
272.13748	1.2
273.14914	0.4
276.07837	0.6
278.05582	0.5
279.06808	0.5
279.13705	0.5
281.15530	0.4
283.10303	0.4
283.13406	2.3
285.14957	1.9
287.12866	1.0
288.06351	0.7
289.14496	5.0
292.07156	0.4
293.08124	0.6
294.09006	4.7
295.09720	0.4
295.13376	1.8
297.15039	3.5
299.12869	5.0
300.13452	0.7
301.14441	1.3
307.13416	0.4
309.15012	1.7
311.13290	0.7
311.16867	4.7
312.17038	2.3
313.14297	5.9
315.15952	1.8
317.14035	1.8
320.06842	0.9
325.14465	7.6
325.17975	0.4
331.15588	1.3
333.14813	0.4
335.12866	0.8
335.16409	2.9
337.14450	7.4
338.14801	0.5
343.15491	3.7
349.17969	0.7
351.15820	1.4
353.17557	1.3
355.15585	2.2
361.14590	0.4
369.16943	1.2
375.15610	0.4
377.17560	3.1
379.15552	2.0
381.68781	0.4
391.15118	0.7
391.19479	0.6
393.16840	1.9
395.18649	3.5
397.16635	0.5
401.17563	1.3
411.18521	0.4
413.19800	0.9
419.18661	9.5
420.18817	0.8
421.16479	0.5
437.19781	4.9
445.16586	1.3
463.17487	2.7
481.18854	0.7
743.72278	0.4
753.30096	0.7
835.33838	1.6
879.33160	1.4
925.51746	0.8
937.51764	0.6
951.53235	0.5
953.51819	0.6
967.52612	8.1
968.53168	1.3
979.53058	5.7
980.52527	1.2
991.52710	9.8
992.52960	2.4
997.53839	5.6
998.54230	1.3
1009.53546	1.1
1033.53809	1.6
1049.57141	1.3
1073.56921	14.9
1074.57104	3.7
1091.56580	3.0
1092.57263	0.6
1099.55115	4.6
1100.55176	1.0
1117.55847	100.0
1118.56104	20.9
1135.56934	69.1
1136.57019	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	111.0453
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.01867	2.6
65.03947	2.1
67.01889	4.3
69.19610	1.0
70.80983	2.7
71.01366	1.0
78.95905	2.0
81.03456	34.3
82.03799	1.7
83.01402	3.3
83.05026	13.0
93.03426	2.2
109.02947	8.2
111.00883	10.7
111.02015	1.9
111.04520	100.0
112.04131	1.0
112.04857	5.1
116.50597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.6184
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03484	0.2
83.01384	2.3
85.02949	0.2
87.00849	0.1
89.02445	0.2
93.03468	1.0
94.06316	0.1
95.01408	0.6
96.02180	0.2
97.02986	0.1
101.02483	0.1
102.75668	0.1
107.01394	5.0
108.02171	0.1
109.02953	0.2
110.00062	0.2
111.00877	1.1
114.63125	0.1
117.03477	0.9
119.05043	1.3
121.02996	0.2
123.00902	1.6
123.04485	0.3
124.01672	5.7
125.02454	5.6
133.02917	0.5
134.03755	0.9
135.04543	1.5
137.02400	0.3
139.00368	1.1
141.01974	0.6
149.02437	0.4
151.00366	16.8
152.01154	38.8
153.01523	0.7
155.05135	0.1
156.05765	0.1
157.06560	0.3
158.03690	0.2
159.04562	0.3
164.01170	0.2
165.01930	0.4
166.99847	0.3
169.01450	1.2
169.06593	0.3
172.05267	0.3
173.06087	0.9
175.03992	0.2
177.01872	0.4
177.05569	0.4
178.99858	45.3
180.00276	1.3
181.06509	0.3
182.03633	0.1
183.04532	0.2
184.00102	0.2
187.07661	0.2
193.01382	0.3
196.05443	0.1
197.06018	0.5
199.03894	0.2
199.07616	0.1
200.04613	0.1
201.05579	0.7
213.05576	0.2
215.07104	1.0
219.06442	0.1
224.04753	0.1
225.05524	1.5
227.03610	0.1
241.04996	0.7
243.06606	1.0
259.06104	14.1
260.06470	0.7
269.04544	34.0
270.02200	0.2
270.04886	1.9
271.06107	3.7
272.06476	0.1
286.04822	3.3
287.05606	8.3
288.05975	0.4
289.07410	0.2
307.07910	0.1
339.07318	0.2
405.12280	0.2
433.11389	100.0
434.11725	7.1
546.15533	0.1
677.49945	0.3
892.84137	0.1
1149.58215	0.2
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	Unknow
Peak:m/z	Relative Intensity
51.11999	1.7
67.01890	40.5
68.02222	2.6
71.14079	2.6
78.95903	100.0
80.31494	1.7
83.01371	2.8
111.00881	51.8
111.04575	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	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.5
67.01888	83.8
68.02211	3.7
70.38743	6.2
71.01400	2.6
78.95900	80.1
81.03442	5.9
83.01373	12.0
83.05012	3.4
97.50359	1.9
110.97604	2.3
111.00877	100.0
111.04501	19.9
112.01209	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01864	4.8
64.85567	1.9
67.01894	70.3
68.02216	2.5
70.64031	6.9
70.64387	2.8
78.94079	2.3
78.95906	78.5
81.03460	33.1
83.01402	10.3
83.05027	11.6
88.49020	1.9
93.03418	2.3
95.01481	2.5
99.58781	2.2
100.99950	2.2
109.03045	4.7
110.98531	2.6
111.00887	93.5
111.04522	100.0
112.01213	4.2
112.04853	7.2
124.23415	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.5
67.01892	59.8
68.02242	1.9
71.26472	2.4
75.77232	2.0
78.95904	100.0
81.03446	10.6
83.01375	19.0
103.53426	2.0
104.19621	2.2
109.02941	2.7
110.98519	2.7
111.00883	78.7
111.04522	31.1
112.01215	2.7
112.04863	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	111.0452
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.01879	3.1
65.03963	1.8
67.01900	1.8
71.33982	1.6
78.95915	1.2
81.03455	33.1
82.03795	2.3
83.01371	1.6
83.05020	10.1
89.58430	1.0
93.03503	1.6
109.02962	7.8
111.00906	3.5
111.04520	100.0
112.04845	5.1
112.20784	1.0
127.72211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03965	0.3
83.01382	1.9
85.02945	1.0
89.02439	2.5
93.03461	0.6
95.01376	0.7
95.05011	0.3
97.02972	1.9
101.02442	3.4
107.05048	0.3
108.02159	0.9
109.02951	4.5
111.08111	0.3
113.02455	1.6
119.03507	1.0
121.02982	2.3
122.03746	4.1
123.00899	0.3
123.04522	2.9
124.01672	1.6
125.02433	1.0
133.06587	0.3
133.81531	0.3
135.04518	0.9
136.01654	0.3
137.02437	12.6
138.03189	0.7
139.04001	1.0
145.02985	0.4
146.03748	0.9
147.04555	0.3
149.02461	1.9
150.03192	0.4
151.04012	1.6
154.02711	0.8
157.44084	0.3
159.04475	1.2
161.02423	0.8
161.04547	0.7
161.06078	2.2
162.03244	0.8
163.00340	0.2
163.03995	1.0
164.01146	3.2
165.01929	20.0
165.05585	0.7
165.12857	2.4
172.08434	0.2
173.06062	0.4
175.04001	0.9
175.07683	0.4
176.04813	0.3
177.05537	1.1
179.03505	2.4
180.03827	0.2
182.30650	0.2
183.13890	31.2
184.14230	1.1
187.03929	1.2
188.04761	0.6
193.88156	0.2
201.05539	1.0
202.06297	0.6
203.03531	0.5
203.07112	3.3
204.04288	0.4
205.05049	6.7
209.11884	0.5
216.36635	0.3
227.12859	2.5
231.02982	0.5
243.06595	0.3
244.07343	1.2
245.08188	0.3
247.06119	0.8
251.40884	0.3
253.09262	2.1
288.06381	0.9
289.07245	0.3
364.15103	0.2
377.21048	0.4
395.22192	0.3
413.98132	0.3
419.22308	3.6
463.21823	41.3
464.21997	2.1
479.22876	1.4
491.22913	1.6
493.24191	0.6
521.24017	0.6
533.23547	0.7
599.28784	1.3
643.27551	100.0
644.27893	9.4
783.97101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.564
Annotation	Unknow
Peak:m/z	Relative Intensity
96.50844	20.1
97.02960	25.7
108.88642	19.6
109.02919	28.8
121.02967	48.8
125.02436	54.7
137.02448	75.8
157.13687	19.1
165.01880	60.9
175.62395	18.4
181.02974	19.5
194.78947	18.2
195.03198	18.0
196.00000	18.9
209.04453	19.9
211.13426	25.2
230.87541	18.4
271.01349	18.0
274.14551	21.1
288.06134	22.8
289.07065	32.1
291.19446	46.8
309.20715	100.0
350.03500	22.1
397.13766	26.1
432.01309	20.6
839.22699	22.3
843.82837	20.9
1010.48254	29.0
1027.48328	26.5
1028.49146	80.9
1065.53601	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0294
Annotation	Catechol
Peak:m/z	Relative Intensity
55.01864	1.9
65.03957	2.1
66.03478	4.1
67.01884	3.2
67.41550	1.1
71.50817	1.5
71.51234	1.3
72.33389	1.1
81.03459	4.2
91.01905	2.6
95.16091	1.0
97.54677	1.1
108.02177	22.1
109.02954	100.0
110.02531	2.4
110.03294	6.5
114.87367	1.1
123.63726	1.1
124.69749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.533
Annotation	Unknow
Peak:m/z	Relative Intensity
161.04408	53.3
171.10376	65.4
269.70004	69.8
293.21387	100.0
572.36121	60.6
617.27710	57.6
720.05615	69.3
758.49078	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
78.91899	85.8
79.38593	77.6
156.35240	67.8
166.16043	88.4
367.66824	71.8
377.33286	100.0
608.08569	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
94.22519	29.0
96.95985	50.4
116.92881	31.7
125.02454	67.3
171.10199	34.7
209.04362	32.5
209.11815	32.0
275.20206	38.6
290.99509	35.3
293.21024	100.0
309.20670	48.8
333.02295	35.1
359.18896	34.8
397.14001	34.1
443.28818	39.4
485.05887	31.5
717.14441	33.6
724.47498	36.2
863.95831	44.7
1063.51599	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95936	2.2
85.02937	4.2
87.00845	2.6
89.02440	9.9
97.02940	6.4
101.02445	8.9
109.06635	1.9
111.08140	4.6
113.02416	4.9
116.92798	2.1
117.36684	1.9
119.03439	2.6
125.02438	6.3
125.09688	2.1
137.02446	3.2
137.09663	1.9
140.13423	2.1
143.30544	2.0
148.47563	2.1
164.74658	2.2
165.01834	2.4
165.12852	3.6
171.10275	3.6
179.05537	3.1
197.11829	17.7
211.13354	5.0
227.12961	3.2
229.17366	2.7
235.08284	3.7
247.20757	3.8
269.80643	2.2
291.19632	35.9
299.04355	2.0
309.20712	100.0
310.21014	4.8
341.23309	3.1
369.26471	4.8
379.12329	2.8
393.65970	2.1
397.13528	29.2
398.13541	3.0
415.14661	14.4
538.26654	2.4
549.66968	2.3
601.41376	3.1
627.69800	2.3
689.33453	5.5
705.15021	2.0
707.35156	8.3
821.16803	2.3
948.58246	2.3
1031.27979	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	1048.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
151.16626	7.5
183.01164	30.3
203.77795	10.0
204.03473	8.9
225.64418	8.3
311.16867	100.0
312.17212	42.6
347.80099	9.5
397.13681	11.0
702.85968	9.1
884.44659	36.7
902.45599	24.3
903.46356	10.9
1048.52429	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	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01379	28.7
71.15342	1.3
71.66251	0.8
72.99310	91.4
73.48765	0.9
73.99635	1.6
75.00874	24.7
88.02727	1.0
101.34109	0.7
103.00368	1.4
105.01938	100.0
106.02280	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	1058.59
Annotation	Unknow
Peak:m/z	Relative Intensity
76.11928	25.4
79.93174	21.6
88.98810	88.2
92.92795	40.0
98.19975	100.0
98.20663	62.8
207.22659	29.4
884.71387	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
76.75895	42.1
78.95867	43.4
80.28574	46.2
89.02460	73.2
121.02977	60.9
123.02322	45.7
128.03523	59.8
136.67313	45.6
137.02435	57.0
141.35641	42.8
146.04570	60.3
223.13475	69.3
226.50430	42.6
243.58154	49.3
269.78259	47.4
293.21042	66.1
309.20547	91.5
319.22845	70.6
327.21793	100.0
363.03262	46.9
397.13583	84.1
415.14630	64.6
695.59302	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20746	96.0
109.85147	56.5
121.02965	88.5
121.48206	50.5
229.75687	74.3
236.10338	52.6
242.28702	56.7
287.95233	58.4
293.21133	100.0
295.22263	59.6
309.20721	93.2
366.14093	61.2
1049.86584	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
72.73447	68.7
77.31734	71.4
90.90034	64.7
99.85988	55.8
114.43127	62.1
144.85280	67.4
175.64558	59.1
184.42992	66.1
293.21225	100.0
339.05243	79.6
357.35532	73.6
658.76190	82.9
919.62500	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02939	28.9
90.05883	26.7
96.96040	30.8
111.08099	24.5
121.02954	34.2
217.59492	25.2
249.32071	24.7
291.19586	29.9
293.21152	100.0
294.21518	47.8
295.22577	52.0
296.22354	31.2
309.20657	30.4
397.13388	52.2
416.39087	26.8
570.54895	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	0.9
79.01906	0.4
81.03474	2.2
83.01379	3.3
85.02957	1.9
91.01894	0.9
91.07813	0.4
93.03454	1.1
94.18848	0.4
95.01386	2.2
95.05015	1.0
97.02931	2.6
101.02427	1.4
105.03471	0.4
107.01390	1.5
108.02169	56.8
109.02956	30.6
109.04053	0.5
111.00864	1.3
113.02458	1.1
119.04948	0.4
121.02953	2.2
122.03635	0.8
123.00866	3.5
123.04523	10.7
124.01655	1.1
125.02440	56.6
126.02785	1.2
131.05054	0.4
133.02954	2.4
135.00853	1.4
135.04474	1.5
137.02438	14.7
139.00360	0.4
139.03996	1.1
145.02921	0.7
146.03687	0.5
149.02391	2.6
150.03178	0.7
151.00340	1.9
151.03995	6.5
152.01143	55.5
153.01936	27.5
154.02231	0.6
159.04480	1.2
160.05196	0.6
161.02435	14.6
161.06059	1.7
162.03123	1.1
163.00325	1.0
163.04030	3.4
164.01151	2.7
165.01935	2.5
166.02605	1.4
167.03484	13.9
169.01369	0.4
174.03194	0.7
175.04019	3.6
175.07610	0.7
177.01959	3.2
177.05501	0.7
178.99924	0.5
179.02121	0.4
179.03394	2.4
184.05238	0.5
185.06055	0.6
187.03987	3.4
188.04755	1.7
189.05441	0.5
193.04971	0.7
195.02965	1.0
201.05565	0.9
202.06319	0.8
203.03435	0.9
203.07100	4.5
205.01364	1.3
205.05035	3.8
211.04115	0.4
213.05531	0.5
215.03441	0.7
217.05054	1.1
218.37325	0.4
221.08159	0.9
227.03468	0.6
227.07179	1.2
229.05046	1.5
231.02904	0.8
240.95485	0.4
243.02927	1.1
243.06673	0.5
245.04440	2.5
245.08147	8.4
253.04909	0.5
255.03030	3.3
256.03748	1.8
257.04449	0.8
269.04587	1.1
273.04062	3.4
281.04346	0.9
281.07040	0.6
283.02521	0.7
284.03006	0.4
285.03964	1.3
287.05597	8.5
288.05853	0.5
289.07159	39.0
290.07425	2.1
296.05261	1.1
297.06171	5.2
299.05563	4.9
300.02631	0.5
311.07706	4.7
315.07108	4.3
339.08670	1.8
381.09784	1.3
407.07687	28.0
408.08087	2.1
421.11426	2.1
425.08752	38.7
426.09177	3.4
433.07751	2.6
434.08463	0.6
451.10291	10.5
452.10483	0.5
464.08981	0.7
465.10327	100.0
466.10712	5.7
467.10107	0.6
533.14001	0.4
559.12604	1.1
577.13452	25.5
578.13873	3.2
601.12567	0.4
659.54822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02949	3.9
87.00871	2.4
88.98777	1.8
89.02442	7.5
90.29333	0.9
97.02935	1.6
97.06614	1.1
101.02438	4.3
109.02849	1.1
109.53030	1.0
113.02402	1.0
116.92841	3.7
125.02435	3.8
131.08247	6.7
137.02461	1.2
143.03555	1.2
161.04530	1.7
171.10280	11.8
173.10384	2.8
176.72397	0.9
179.05589	4.1
195.13846	2.7
209.11763	1.0
211.13412	6.9
221.06670	1.4
221.11697	1.5
223.13342	1.4
224.65388	0.9
229.14426	4.2
235.08229	1.5
248.57877	1.0
253.09174	1.3
275.20142	1.8
289.07132	1.1
291.19711	3.1
293.21231	36.2
294.21603	2.0
305.09045	1.4
309.20700	10.7
327.21738	100.0
328.22256	5.2
397.13501	23.3
398.13712	1.6
415.14569	24.2
416.14737	1.7
517.80396	1.1
603.42426	6.0
691.35175	8.5
692.35272	1.4
707.34814	22.8
708.35046	2.3
725.35925	18.0
726.36865	2.3
1001.57178	22.4
1002.57391	4.8
1037.54578	42.0
1038.55164	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	1041.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
75.93408	1.9
83.01388	3.1
85.02929	3.5
87.00859	3.6
89.02445	9.1
93.03432	1.7
95.01350	2.3
95.05013	1.4
97.02941	2.5
97.06577	1.7
101.02422	13.1
109.61175	1.4
113.02441	6.2
116.92813	1.5
119.03513	3.6
123.04490	1.8
125.02434	5.9
125.09714	3.6
137.09758	2.9
143.03435	2.1
161.04543	4.0
163.11234	4.2
175.10098	1.7
179.05566	6.4
185.11803	4.3
191.14369	5.7
193.12221	1.4
195.13992	7.9
202.29372	1.5
202.70016	1.3
203.74336	1.6
207.10234	2.1
209.11877	8.3
211.13387	3.9
221.06624	2.4
223.13390	4.7
225.11395	2.4
235.08176	4.4
237.11211	2.7
245.19083	9.7
263.20047	2.1
271.82251	1.4
275.20178	3.9
289.07071	1.9
289.18091	52.1
290.18280	2.6
293.21219	100.0
294.21500	5.9
295.22882	2.0
307.19150	50.4
308.19479	2.9
309.20700	1.9
357.98831	1.8
379.12097	2.2
397.13464	37.3
398.13684	2.0
415.14554	16.7
477.25549	1.7
525.35773	1.5
607.26086	1.8
687.31750	4.4
691.35394	2.4
705.33508	4.1
981.54852	6.0
1037.56812	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	1030.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
76.70910	72.9
88.01447	79.9
105.22964	84.7
281.76740	88.8
397.13547	89.5
405.47101	89.7
476.37686	86.9
577.85565	94.4
674.22699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.303
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51962	0.7
81.03458	10.0
83.01380	4.7
93.03461	7.2
95.05043	0.7
97.02917	0.5
107.01400	3.9
119.05032	10.1
121.02927	0.4
122.95145	0.4
123.04525	32.4
124.01714	0.6
124.04826	0.6
125.02449	20.5
135.04543	1.6
137.02504	0.7
148.68370	0.4
149.02448	2.4
150.03244	1.5
151.00351	10.2
151.04007	1.7
152.01129	1.5
161.02455	0.6
165.05688	0.5
167.03491	96.9
168.03825	2.2
175.03928	0.5
178.99905	1.6
179.03497	9.3
181.99269	0.5
187.07663	0.6
189.05612	1.5
191.03540	1.1
211.07639	0.4
229.08707	1.0
255.06497	0.7
273.07672	100.0
274.08011	4.7
285.04056	3.9
297.07654	0.5
303.05170	1.7
433.13275	0.8
447.08414	0.4
449.10919	3.4
450.10910	0.6
581.18750	91.4
582.19159	9.1
966.59985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19901	100.0
121.03004	55.1
137.02457	26.5
183.98068	31.1
229.78606	42.0
289.07184	52.4
561.83099	29.1
598.56311	25.6
628.33545	27.5
886.46289	38.0
1032.53259	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	2.8
75.00867	15.7
81.03467	1.6
83.01380	5.2
85.02945	14.9
87.00869	4.3
89.02436	4.5
93.03462	2.0
95.01395	3.4
95.05016	1.9
97.02939	4.8
99.00885	4.2
101.02443	3.3
107.05032	2.2
109.02953	21.7
113.01704	1.4
113.02443	15.0
115.00369	1.3
117.03484	1.6
119.03493	1.3
121.02956	3.0
122.03753	1.4
123.04517	14.3
125.02447	100.0
126.02774	2.2
131.05032	1.2
133.02943	4.5
135.04532	1.6
137.02435	19.9
139.03995	2.7
143.05075	0.9
147.04523	1.9
149.02423	4.8
150.03267	1.1
151.04001	11.9
159.04471	3.2
160.05225	0.8
161.02441	30.9
161.06049	3.8
162.03049	2.9
163.00392	2.2
163.03983	3.4
164.01158	4.5
165.01945	6.1
167.03484	1.6
173.04527	1.6
173.06110	0.9
175.02516	1.5
175.03967	10.4
175.07677	1.9
177.01932	6.4
177.05527	1.5
179.03484	5.6
187.03999	9.1
188.04759	4.4
189.02028	0.8
189.05513	1.3
193.05101	0.9
199.04001	1.4
199.07634	1.0
201.05556	2.7
202.06287	1.1
203.03487	2.3
203.07143	11.0
205.01373	3.3
205.05043	10.4
211.04097	1.9
212.04784	1.2
213.05476	1.5
215.03400	1.9
217.05148	2.0
221.08118	2.2
225.05536	1.1
227.03554	1.5
227.07164	1.9
228.04219	1.4
229.05119	4.1
231.02972	2.0
232.50186	0.9
243.02945	4.0
243.06613	1.2
245.04572	7.6
245.08171	16.1
247.05978	0.9
253.05077	1.5
255.02956	11.4
256.03674	6.7
257.04507	2.7
269.04477	2.4
271.06195	1.5
273.03983	6.1
281.04596	6.0
283.02359	2.0
285.03961	4.2
287.05588	17.0
288.02805	1.9
288.06094	1.6
289.07172	70.0
290.07550	3.0
297.03937	2.6
297.07455	1.3
299.05624	7.7
300.05923	1.0
329.06616	2.5
339.08643	7.4
341.06433	0.8
381.09808	2.8
389.06558	1.0
407.07687	83.3
408.08041	6.4
425.08759	94.1
426.09091	7.2
451.10342	22.9
452.10632	1.4
459.15063	64.3
460.15326	5.5
559.12347	2.9
577.13507	73.4
578.13776	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	1028.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
71.68084	18.6
87.71452	21.0
97.37126	18.6
99.92600	22.3
116.92874	100.0
117.92861	38.4
223.74039	20.8
277.21606	27.0
278.22125	33.8
289.18118	25.8
309.19885	23.4
311.36908	21.0
397.13663	57.6
399.13852	22.5
518.57159	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	1030.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33715	77.0
84.28947	36.6
101.02447	50.0
103.68736	40.6
116.92860	61.4
120.56404	42.7
144.92494	47.5
151.56166	44.4
187.47876	42.7
195.65643	40.0
197.11911	52.6
277.21579	100.0
292.19962	65.3
309.20874	83.1
310.21072	99.9
311.21323	52.5
318.48575	41.3
346.18222	41.4
397.13724	61.9
868.44751	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
105.83482	32.1
124.46389	33.6
293.21149	84.2
294.21533	100.0
338.04730	33.5
384.40555	36.2
631.30090	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01003	1.0
71.01385	15.4
72.99297	1.1
73.02942	2.1
75.00889	1.0
81.03461	1.6
83.01379	1.4
83.05023	1.5
85.02948	9.0
87.00871	3.4
89.02448	11.8
95.01395	1.0
95.05028	0.5
96.95990	1.3
97.02938	3.8
97.06582	1.9
98.03792	0.5
99.00919	0.8
100.62041	0.6
101.02450	10.5
103.00375	0.6
109.06588	0.9
111.04567	0.6
111.08157	6.2
113.02443	7.0
116.92886	0.9
119.03526	3.4
125.02464	3.9
125.09676	0.6
127.11283	0.8
131.03473	0.8
137.09709	2.3
141.01894	0.7
143.03484	2.0
146.04625	0.6
153.09245	0.6
154.06218	2.3
155.10791	0.6
155.14481	0.5
161.04544	1.8
163.11336	0.7
165.12839	0.7
167.03500	0.7
167.10771	1.1
167.14345	0.7
171.10262	21.9
172.10571	0.6
177.12842	2.1
179.05630	2.8
179.10840	1.0
183.13971	2.5
185.11800	1.3
193.12297	1.2
195.13876	4.1
197.11810	1.8
201.11290	1.2
209.11871	8.3
211.13379	10.4
217.07112	0.7
221.06584	1.2
221.11743	2.1
227.12811	1.0
229.14409	5.6
235.08199	3.6
239.12971	1.5
247.20689	1.8
253.09261	0.9
262.92166	0.5
263.07794	0.8
273.18622	1.6
275.20172	1.1
287.07654	0.8
291.19669	51.7
292.19846	3.3
293.21249	9.1
305.08942	0.7
307.19177	0.7
309.20676	7.3
311.22324	1.0
323.09766	1.0
325.20184	1.2
327.21750	100.0
328.22116	6.4
379.12335	0.7
397.13492	29.7
398.13913	1.2
415.14597	14.9
416.14807	0.9
601.41516	0.7
689.34204	2.2
707.34723	2.1
725.35956	1.0
1017.55701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	13.0
85.02951	2.9
89.02451	8.8
96.96008	41.4
98.20773	4.3
98.95605	4.8
98.96378	2.3
99.00923	2.2
101.02440	6.8
111.08206	3.6
113.02429	8.1
116.92855	11.0
121.02991	2.8
125.02428	3.7
161.04622	2.4
165.12857	2.9
171.10312	4.4
179.05635	6.1
180.56094	2.4
195.13875	4.5
197.11801	12.3
197.75009	2.5
211.13435	4.1
224.42719	2.1
258.05179	2.3
265.14786	46.9
266.15085	7.6
267.14383	5.3
275.20203	4.4
276.77722	2.2
291.19608	19.3
293.21225	94.4
294.21518	6.1
297.15564	2.7
309.20706	100.0
310.21115	7.0
397.13510	39.8
398.14020	2.4
415.14508	24.4
585.41083	4.6
625.71008	3.1
673.34546	3.1
689.34027	9.5
691.35052	11.0
707.34796	17.8
708.34918	3.6
983.55817	12.0
984.55750	3.7
1019.53516	92.6
1020.53186	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	1024.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	7.9
89.02433	10.3
90.73704	5.8
99.92577	21.5
101.02424	11.3
114.93436	11.4
115.88182	6.2
116.92854	100.0
123.04625	6.1
132.08577	6.2
152.81467	6.8
173.57866	6.3
191.14514	6.4
237.71146	6.7
257.99249	7.2
277.21710	21.8
289.18124	22.0
307.19180	24.8
397.13620	17.4
415.14413	9.8
445.83557	8.1
517.27765	6.7
570.99158	7.1
945.51215	6.8
965.51483	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	1026.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
99.95576	41.0
123.74900	39.8
124.26160	36.3
141.84726	34.6
165.20898	40.9
214.87532	39.0
293.18121	69.4
309.20682	100.0
359.91644	44.2
397.13583	81.4
415.14700	70.8
506.74704	44.8
508.98044	49.2
636.40387	52.4
751.75519	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	3.6
71.02156	1.9
77.03946	1.8
80.30841	0.9
81.03474	5.5
81.03873	0.8
83.01382	13.2
84.50694	1.0
87.10433	1.0
89.02480	0.9
90.25275	0.8
93.03447	4.4
94.64528	1.0
95.01390	2.0
95.05006	3.0
96.95993	2.4
97.02943	7.3
99.04518	4.0
101.02460	1.5
107.05022	2.0
108.02167	1.6
108.81525	1.0
109.02942	8.5
111.00875	5.1
112.66770	1.0
113.02417	1.0
121.02962	7.6
122.03722	3.1
123.04505	4.0
124.01610	1.7
125.02444	67.9
126.02794	1.4
133.02956	1.2
134.46916	1.1
135.04512	4.5
137.02441	55.0
138.02873	1.4
139.03995	2.7
145.02954	1.1
146.03734	22.6
147.04427	2.7
148.01649	1.0
149.02426	3.8
150.03175	1.7
151.03981	4.4
151.70862	1.2
153.07156	1.0
159.04482	7.9
160.05252	3.7
161.02464	2.9
161.06075	3.5
162.03242	1.8
163.00316	1.3
163.03976	1.5
163.11328	1.2
164.01149	13.9
165.01924	41.5
166.02188	1.0
167.03488	18.8
171.10240	0.9
172.05270	5.2
173.06117	4.7
174.03210	12.0
174.06854	3.4
175.04034	5.5
176.04771	2.1
177.01933	7.5
179.03450	10.2
181.05051	1.3
183.04463	1.5
183.13954	1.1
185.06003	1.8
186.06778	2.6
187.03964	4.1
187.07552	1.1
188.04753	7.5
189.05510	2.8
191.03410	1.5
197.06076	2.0
197.11781	4.6
198.06731	1.3
200.04787	6.2
200.08328	1.2
201.05595	4.8
202.06258	1.1
203.07063	1.1
203.51271	0.9
204.04308	4.7
209.06049	2.2
210.06828	2.1
211.03978	1.7
211.07518	1.5
211.13379	3.3
212.04778	4.7
214.06250	1.2
214.78645	1.0
221.15417	1.7
223.07581	1.1
224.04796	1.7
225.05557	4.8
226.06305	2.8
237.05574	1.6
239.07091	1.5
243.06734	1.3
243.13783	1.6
245.08110	1.3
251.07031	2.5
252.07939	1.9
253.09102	1.6
255.13924	1.8
265.08850	1.3
268.07419	3.3
269.07996	1.5
269.11713	4.1
269.14362	1.0
270.08975	3.0
271.13388	31.0
272.13724	1.3
278.65051	0.9
283.13345	3.3
284.13443	1.4
285.14960	4.3
287.12955	1.5
288.06277	1.6
289.07214	1.4
289.14435	9.1
291.19659	2.3
294.08945	2.7
295.13400	2.9
297.14972	5.0
299.12885	8.2
301.14349	3.5
303.88101	1.0
309.15018	2.1
309.20786	1.5
313.14441	14.7
315.15887	3.7
317.13998	3.5
325.14499	10.1
326.14484	1.2
327.15775	1.3
331.15457	3.5
335.16467	2.3
337.14426	6.5
341.13855	1.1
343.15439	6.7
351.15875	2.6
353.17462	1.7
355.15417	3.1
369.17416	1.1
377.17502	4.3
393.16873	2.8
394.17209	1.0
395.18567	3.6
401.17566	1.3
413.19104	1.0
419.18665	12.3
437.19882	9.6
445.16562	1.7
463.17453	4.6
481.18530	1.9
562.25970	1.1
567.24817	4.7
591.24347	1.4
591.98730	1.0
673.28259	5.2
717.27686	3.5
843.45795	1.5
859.44525	11.8
860.45435	2.3
871.45154	9.7
872.44794	1.6
883.45178	8.0
884.46899	1.4
889.45599	8.8
890.47333	1.0
901.45953	2.9
929.43463	1.2
965.49060	14.4
966.49316	2.6
983.48480	4.5
991.47009	5.1
1009.47931	100.0
1010.48199	19.7
1027.49072	87.7
1028.49255	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	1017.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.5
72.51839	0.3
72.99294	1.2
73.02934	1.4
81.03446	0.8
83.01376	1.1
83.05012	1.0
84.02163	0.6
85.02948	8.7
87.00880	2.6
89.02444	8.6
91.93854	0.3
93.03462	0.5
94.23003	0.3
94.92892	0.3
95.01363	0.5
95.05015	0.7
96.96031	1.7
97.02947	4.6
97.06595	1.9
97.07106	0.4
99.00866	0.7
101.01788	0.5
101.02435	8.0
109.02926	0.4
111.04572	0.3
111.08186	1.7
113.02451	4.9
119.03503	2.5
119.08624	0.4
123.04518	0.3
125.02456	3.2
125.09693	1.1
127.07654	0.4
127.11260	1.1
131.03517	0.8
133.06381	0.3
137.09715	2.5
139.03975	0.6
141.01921	0.4
143.03520	1.5
153.12822	0.4
155.10764	0.5
161.04561	1.7
163.11275	0.8
165.12819	2.5
167.14333	0.6
169.12360	0.7
171.10263	26.0
172.10602	0.9
179.05600	3.7
179.14429	0.5
181.12321	1.0
181.73299	0.3
183.13901	2.4
185.11832	1.0
193.12277	1.1
193.15968	0.5
197.11830	8.8
198.12276	0.5
199.13367	0.9
201.11295	1.2
207.10226	0.4
209.11836	2.2
211.13388	11.7
211.15405	0.6
221.06627	1.2
221.11858	1.9
225.11443	0.4
227.12892	1.3
229.14397	7.9
235.08180	3.1
239.12819	1.5
247.20670	1.2
253.09360	0.6
263.07684	0.5
263.20084	0.6
273.18549	0.8
287.07684	0.7
289.06979	0.3
291.19662	14.4
292.19897	0.8
293.21198	1.4
305.08917	1.0
309.20694	43.2
310.20975	2.5
323.09714	0.5
327.21744	100.0
328.22107	6.3
343.21240	2.7
351.21387	0.3
379.12259	0.4
390.16727	0.4
397.13498	25.6
398.13834	1.3
415.14554	18.6
416.14697	1.0
418.23279	0.3
545.30194	0.4
619.41962	4.1
620.42554	0.5
689.34802	0.3
707.34967	10.5
708.35321	1.5
725.35913	5.8
726.36969	0.5
730.77008	0.4
1017.56372	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	1017.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01008	0.6
71.01379	9.1
72.99306	0.9
73.02933	1.2
78.95913	0.4
83.01372	1.3
83.05018	0.9
84.02155	0.5
85.02953	7.4
87.00871	2.6
89.02441	10.1
95.01403	0.5
95.05035	0.8
96.95997	1.0
97.02969	2.5
97.06588	1.9
99.00845	0.5
99.92547	0.3
101.02444	8.1
103.00385	0.4
104.57486	0.3
109.02929	0.6
109.06593	0.5
111.04553	0.5
111.08160	3.1
113.02447	4.3
116.92860	0.4
119.03511	2.4
121.02956	0.4
123.08171	0.5
125.02448	2.6
125.09711	0.7
127.11265	1.6
131.03554	0.6
131.04625	1.1
132.02985	0.7
137.09721	1.9
139.79826	0.4
143.03477	1.7
155.10744	1.1
161.04584	1.7
163.11264	0.4
165.12805	0.6
167.03505	0.4
167.10780	0.5
167.14426	0.7
171.10260	21.2
172.10599	0.6
177.12796	0.9
179.05580	3.7
179.10654	0.5
181.12523	0.4
183.13847	2.2
185.11815	0.7
193.12317	1.0
195.13857	2.4
197.11829	1.3
201.11356	1.0
209.11804	2.9
211.13382	11.1
212.13661	0.4
219.96764	0.3
221.06615	1.9
221.11807	1.8
227.12831	0.5
229.07362	0.4
229.14423	6.9
229.16501	0.7
230.48808	0.4
235.08220	2.2
239.12888	1.2
247.20638	1.0
253.09331	0.7
272.72238	0.4
273.18671	0.7
275.20157	0.4
287.07785	0.5
291.19653	29.6
292.20047	1.7
293.21164	2.2
305.08682	0.6
307.19232	0.7
309.20657	8.0
310.21231	0.4
311.22394	0.8
325.20145	1.1
327.21744	100.0
328.22107	5.0
351.21603	0.7
379.12616	0.7
397.08286	0.6
397.13504	12.0
398.14157	0.5
415.14581	13.4
416.14920	0.8
482.42398	0.4
590.11224	0.4
601.40930	0.7
689.34155	0.7
707.34998	1.7
725.36047	1.9
726.35498	0.6
999.55615	0.4
1017.55707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5971
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05025	0.9
71.11150	0.1
82.87158	0.1
83.63625	0.1
87.04513	0.2
89.03963	1.5
96.96038	0.2
97.02959	0.3
98.20771	0.3
99.04515	19.5
100.04880	0.3
106.04230	0.2
109.02922	0.2
115.04008	13.9
116.04379	0.2
117.03464	3.8
121.02958	0.2
125.02429	0.7
133.02959	0.2
134.03737	46.9
135.04042	1.3
137.02444	1.5
139.04015	0.4
143.03493	100.0
144.03841	1.6
146.04584	0.2
149.02490	0.2
149.06075	4.9
150.03210	0.2
161.02487	0.2
161.04538	4.1
175.04041	0.2
177.01984	0.2
178.02713	4.7
179.03186	0.1
183.37097	0.2
193.05040	53.5
194.05382	1.7
276.98734	0.1
289.07114	0.1
337.09268	14.1
338.09702	0.6
343.73181	0.2
458.34586	0.1
481.56952	0.2
529.17090	0.2
677.49573	1.6
678.49774	0.4
882.33984	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	1017.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	3.8
93.03442	1.8
95.01392	1.5
95.05026	1.3
95.06855	0.7
97.02953	2.7
98.19980	1.3
107.01347	1.2
107.05038	1.8
108.02170	1.1
109.02953	11.1
117.03459	1.4
119.05045	1.1
121.02970	3.3
123.00832	1.2
123.04523	8.9
124.01655	1.0
125.02446	100.0
126.02808	2.0
131.05019	1.3
132.02173	0.9
133.02927	5.1
135.04507	3.4
137.02454	12.2
139.04004	1.9
145.02959	3.2
146.03708	1.3
147.04483	1.9
149.02438	4.1
150.03261	0.9
150.77025	0.8
151.00348	0.9
151.03976	9.8
159.04526	5.0
161.02437	31.9
161.06067	2.9
162.03159	2.2
163.00380	4.0
163.04028	3.9
164.01146	6.2
165.01926	5.9
167.03537	1.5
169.01428	13.2
173.02419	1.3
174.03157	0.9
175.03990	15.5
175.07736	0.8
176.01216	1.0
177.01918	12.8
177.05626	0.8
179.03531	2.0
183.04520	1.7
185.02342	0.8
185.06075	1.6
187.03963	4.0
188.04745	1.2
189.01898	2.5
190.02646	1.0
193.01465	2.1
193.05070	0.8
199.03992	5.3
201.01897	1.6
201.05559	2.8
202.06250	1.0
203.03526	3.4
203.07109	4.7
205.01425	1.7
205.05009	3.7
209.05994	1.0
211.04036	2.0
213.05669	1.7
214.02727	1.2
215.03499	1.4
217.05005	6.2
219.02904	4.2
219.06439	0.9
225.05676	1.3
227.03525	3.5
227.07161	2.4
228.04301	1.3
229.05028	2.9
231.02916	0.8
237.14926	0.8
241.05080	2.3
243.02983	20.4
243.06693	1.5
244.03609	1.2
245.04517	11.1
245.08185	5.2
253.05070	2.6
255.02998	9.3
255.05627	1.1
256.03708	3.2
257.04562	2.4
259.06247	0.9
261.04013	5.2
267.03049	0.9
269.04541	6.2
271.06049	6.1
281.04449	2.1
282.01776	0.9
283.02557	3.3
285.04004	5.0
287.05609	20.8
288.05838	1.2
289.07181	27.6
290.07648	0.8
295.02682	1.1
297.04013	2.4
297.07947	0.8
299.05753	1.1
303.05154	1.7
327.05127	1.5
329.06680	1.5
339.08694	1.1
381.06088	1.2
381.10236	0.8
389.06726	3.9
395.07516	1.9
405.05905	3.8
407.07666	40.9
408.07861	3.7
413.08694	7.2
423.07251	3.1
424.07468	0.9
425.08694	2.0
433.09280	2.1
441.08200	9.9
442.08841	0.9
449.08682	7.2
451.10342	9.2
452.10074	0.9
473.11719	0.7
499.10541	1.1
525.08569	3.5
533.10992	1.3
543.09387	1.2
557.10895	1.0
559.09509	5.6
569.10925	4.2
575.11865	6.7
577.10791	5.0
601.11566	2.9
603.11371	5.5
677.11749	1.8
695.13232	4.3
711.14252	0.9
713.14319	1.9
721.16016	0.9
729.14648	19.1
730.15710	1.7
739.14246	2.2
771.15472	1.6
847.15350	8.4
848.16351	1.0
865.18878	2.6
891.17902	1.9
990.95703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	12.7
71.04463	0.9
71.05032	0.6
72.99306	1.3
73.02947	1.5
79.43333	0.4
81.03440	1.0
83.01389	1.2
83.05026	1.2
84.02157	1.2
85.02953	3.1
87.00889	2.9
89.02438	9.4
92.78404	0.5
95.01389	1.1
95.05002	0.7
96.96017	1.3
97.02973	2.7
97.06595	6.0
99.00856	0.8
99.04495	1.0
101.02444	8.4
111.00848	1.4
111.08147	1.4
113.02420	4.3
116.92845	1.2
119.03524	2.5
123.04443	0.6
125.02477	3.3
125.09698	1.7
129.52379	0.6
137.02394	0.5
137.09723	1.1
143.03484	1.8
151.11281	0.5
161.04556	1.7
163.11322	1.2
165.12793	1.0
171.10266	6.7
174.88951	1.0
175.11253	0.6
177.12799	0.6
178.28056	0.5
179.05585	3.5
179.14359	0.7
183.13834	0.5
185.11821	1.0
193.12332	9.3
195.13870	4.0
197.11798	3.2
199.27213	0.4
203.10881	0.4
209.11864	1.3
211.13387	4.6
221.06577	1.0
221.11890	0.5
223.13435	3.8
225.14954	14.3
235.08241	3.0
243.16023	5.8
245.19133	0.7
253.09138	1.3
253.14275	0.9
275.20108	3.5
287.07767	1.0
289.18103	3.5
291.19659	4.9
293.21210	60.5
294.21457	2.6
305.08862	1.5
305.21237	0.7
307.19168	2.9
308.24677	0.4
309.20667	4.9
310.20795	0.7
323.22083	0.7
324.93472	0.6
325.20062	1.6
341.23294	100.0
342.23700	6.8
342.27582	0.9
383.24365	0.5
397.08286	1.1
397.13470	20.7
398.14050	0.7
415.14548	16.6
416.15344	0.7
455.23691	0.5
617.44141	6.6
618.44879	0.7
654.27094	0.6
673.33978	0.9
691.34784	2.2
721.36462	2.8
722.36639	0.6
739.37585	6.1
997.52625	0.7
1015.53540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
77.85040	77.8
88.96510	64.0
107.13395	69.2
117.12681	73.2
160.65843	70.4
178.27238	75.7
229.35910	100.0
294.21362	92.3
308.20898	67.4
356.42807	72.4
606.40106	72.0
655.21545	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	14.6
72.99300	1.1
73.02941	4.2
75.00839	0.6
75.54350	0.4
80.02672	0.6
81.03446	1.6
83.01382	2.2
83.05019	1.3
84.02130	0.6
85.02956	3.8
87.00873	4.5
89.02446	11.6
93.03431	0.5
95.01391	1.3
95.04998	0.8
96.95995	0.5
97.02950	5.4
97.06583	3.5
99.00881	1.5
99.92586	17.4
100.92589	0.9
101.02438	11.2
107.05016	0.5
109.02960	0.6
109.06601	0.6
111.00881	1.6
111.04507	0.9
111.08144	3.1
113.02449	6.6
114.93423	0.6
116.92861	100.0
116.97268	1.1
117.01932	5.3
117.92869	4.6
119.03496	3.4
121.02990	0.5
121.06574	0.6
123.04504	1.9
125.02438	4.8
125.09734	5.3
131.03482	0.8
135.08128	0.9
137.02475	0.6
137.09717	2.0
141.01886	0.6
143.03493	2.0
149.04558	0.7
161.04529	2.7
163.11295	3.1
165.12846	2.6
165.78297	0.5
167.10776	0.8
169.12323	1.3
171.10249	4.4
177.12769	0.6
179.05608	3.3
179.14464	0.6
181.12340	0.7
183.10341	0.5
183.13857	0.7
185.11832	4.8
188.23894	0.4
191.10733	0.5
191.14424	3.3
191.88167	0.5
193.12321	1.6
195.13908	1.1
197.09987	0.7
197.11821	14.4
198.12154	0.7
199.13356	0.9
205.12326	0.5
207.10231	2.1
209.11806	7.2
211.13350	3.4
217.15936	0.8
221.06667	1.6
221.12044	0.5
223.13417	1.4
225.11230	0.8
225.14996	1.7
227.12843	4.4
231.90724	0.4
235.08270	3.6
237.11375	1.0
243.16129	0.5
245.19073	6.8
247.20676	1.9
251.00142	0.5
253.09259	0.9
261.08746	0.6
263.20105	2.0
265.17896	0.5
271.16992	1.1
273.18564	1.1
275.20248	0.6
281.21313	0.5
287.07770	0.9
289.18088	24.4
290.18439	1.5
291.19644	20.7
292.20078	1.9
293.21213	10.8
305.08792	0.9
307.19144	21.9
308.19623	1.3
309.20703	30.3
310.21097	2.7
311.22336	0.5
323.09979	0.8
325.20105	1.1
327.21744	0.8
341.23318	15.0
341.27365	0.9
342.23712	1.1
351.17545	0.5
379.12677	1.3
397.13495	17.4
398.13895	0.8
415.14560	10.9
416.14792	0.7
433.93472	0.5
444.89383	0.5
607.26276	0.6
617.44519	0.8
687.31091	0.5
691.34869	0.5
705.34521	0.5
721.37360	0.6
739.38739	0.7
997.53925	0.8
1015.55396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	4.3
74.23508	1.2
77.03957	2.1
78.95906	4.7
79.95733	5.3
81.03455	2.6
83.01388	13.9
85.02972	1.6
89.02431	2.9
93.03475	6.7
95.01361	2.0
95.04996	4.7
96.96014	73.0
96.96921	6.4
97.02956	7.2
98.19869	4.4
99.04526	3.2
99.89233	1.3
101.02412	2.4
107.05105	1.3
108.02146	1.7
109.02952	16.2
116.92923	1.5
117.03481	1.5
121.02984	10.9
122.03719	3.9
123.00887	2.1
123.04543	7.3
124.01663	2.7
124.88915	1.3
125.02445	75.3
133.02998	1.7
135.04497	2.9
135.73373	1.3
137.02443	70.0
139.03963	2.7
146.03720	21.2
147.04539	3.1
149.02429	5.7
150.03197	5.5
151.04004	5.8
154.20314	1.5
159.04517	8.4
160.05263	1.9
161.02423	3.8
161.06067	2.7
162.03154	3.1
163.00417	2.9
163.03954	2.3
164.01149	20.1
165.01932	48.1
166.02365	2.5
167.03490	11.1
171.10263	4.9
172.05309	5.9
173.06050	6.0
174.03256	11.0
174.06862	3.3
175.03949	5.2
175.85114	1.7
177.01918	8.6
179.03493	12.2
181.05046	1.8
185.06021	3.1
186.06842	3.0
187.04041	3.8
188.04732	5.5
189.05531	1.9
190.02773	1.6
191.03435	2.1
195.13928	5.5
199.07562	1.9
200.04776	2.4
201.05548	4.2
202.06317	1.9
203.03490	1.6
203.07207	1.9
204.04201	5.7
211.13400	5.8
212.04727	4.3
214.06294	1.5
223.13287	1.8
224.04570	1.6
225.05547	4.0
226.06302	3.7
229.69446	1.5
239.06985	2.3
244.07407	2.2
245.08221	1.5
252.07904	3.4
253.09311	1.7
255.13846	1.8
259.06113	1.6
265.08649	1.6
268.07480	2.5
269.08359	2.3
269.11655	2.5
270.08850	3.2
271.13361	30.1
272.13614	1.9
283.13297	3.0
285.15002	2.3
287.05560	5.4
288.06232	2.4
289.07230	6.7
289.14435	6.8
293.21292	10.0
294.08984	4.5
297.14944	5.7
299.12875	6.2
301.14349	3.3
309.20825	2.0
311.22275	2.8
312.13657	1.6
313.14359	6.6
315.16068	4.2
317.13971	3.9
325.14386	8.1
331.15576	4.3
335.16260	2.5
337.14545	4.8
343.15482	4.5
353.13754	1.8
353.17850	1.8
357.13528	4.9
369.17010	1.4
377.17761	2.0
379.15485	3.1
393.16949	1.8
395.18481	3.7
419.18542	10.8
437.19788	6.4
463.17734	5.2
481.18613	5.0
582.11597	1.4
625.12836	1.8
649.31744	1.6
673.29126	1.8
717.27643	4.2
735.28461	6.1
827.46204	3.2
843.45453	2.3
855.45239	6.4
867.45905	6.6
868.46002	2.1
873.46558	10.4
885.45532	1.6
946.64587	1.8
949.49683	10.6
950.49921	3.0
967.48743	4.1
975.46698	4.0
993.48505	100.0
994.49109	16.9
1011.49536	99.8
1012.49860	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	1011.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	4.1
78.95905	2.2
81.03453	6.4
83.01383	16.2
85.02980	1.4
88.98791	1.4
89.02501	1.5
93.03462	6.8
95.01371	2.8
95.05033	3.0
96.96006	16.6
97.02938	5.2
98.19860	2.3
99.04506	3.1
101.02430	2.0
107.05028	2.4
109.02949	8.4
113.02492	1.3
117.03390	1.2
121.02961	8.3
122.03718	2.6
123.00905	1.3
123.04517	2.7
124.01669	2.1
125.02447	75.3
126.02763	1.9
133.02948	2.6
135.04514	3.9
137.02449	67.3
139.03986	2.9
146.03728	23.2
147.04521	2.3
149.02451	3.8
149.06070	1.7
150.03206	3.0
151.04028	4.8
159.04515	11.0
160.05263	3.4
161.02423	3.4
161.06099	3.9
162.03197	2.7
163.00316	1.5
163.03987	1.9
164.01161	17.4
165.01930	44.8
166.02258	1.2
167.03490	18.5
171.04483	1.3
172.05280	6.6
173.06036	4.4
174.03201	9.8
174.06786	2.7
175.03970	4.4
176.04774	2.3
177.01910	8.2
179.03505	11.8
185.06056	2.3
186.06784	1.7
187.03981	3.5
188.04785	8.7
189.05519	3.4
193.33875	1.3
195.13896	3.6
197.06068	1.6
199.03979	1.2
199.07616	1.7
200.04836	5.4
201.05602	4.7
203.31441	1.0
204.04274	5.3
205.04877	1.5
209.06032	1.7
209.11789	1.5
210.06960	1.4
211.04047	3.0
211.13339	2.9
212.04814	7.0
213.05363	2.1
217.12157	1.4
223.07750	1.3
225.05615	6.0
226.06253	3.3
227.07266	2.1
228.07892	1.7
236.04907	1.7
239.07190	2.0
243.13910	2.2
251.07021	2.6
252.07913	3.5
253.09320	1.3
253.15924	1.4
255.13737	2.0
265.08630	1.6
266.09222	1.3
268.07388	3.1
269.11789	4.2
269.15329	1.1
270.09012	3.6
271.13382	31.5
272.13687	1.4
281.11865	1.7
283.13403	3.5
285.14948	2.6
287.05560	1.9
288.06354	2.5
289.14514	7.0
293.21234	6.3
294.09052	5.7
295.09717	1.5
295.13312	2.3
297.14822	6.0
299.12936	8.9
299.15906	1.6
300.13446	1.4
301.14359	3.1
303.16119	1.1
309.14685	2.1
311.13135	1.3
313.14392	14.9
315.15945	3.5
317.13977	3.1
325.14310	9.3
331.15540	1.8
335.16504	3.3
337.14380	6.3
343.15430	5.1
351.15942	1.9
353.17746	1.5
355.15378	2.0
369.17221	1.6
377.17697	4.2
379.15402	2.5
393.17010	3.1
395.18524	3.6
401.17700	2.2
419.18616	16.4
437.19553	7.7
445.16077	1.5
463.17599	7.0
481.18698	2.5
567.24445	2.2
669.21912	1.3
673.28741	4.5
699.26495	1.4
717.27521	3.6
827.45935	2.9
843.45618	11.9
844.44647	1.6
855.45233	10.5
867.45007	7.6
873.46710	7.7
909.46411	2.1
925.50238	1.7
949.49847	17.7
950.49335	2.3
967.49445	3.7
975.47748	7.8
993.48462	100.0
994.48883	17.6
1011.49579	81.0
1012.49805	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	1011.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99326	2.5
71.01372	4.9
72.73925	0.9
77.03957	1.3
81.03474	5.2
81.25991	0.9
83.01385	15.2
85.02955	1.5
89.02438	2.4
93.03454	6.0
95.01369	2.0
95.04991	3.2
96.96010	2.5
97.02974	5.4
99.04509	4.5
99.62250	1.1
101.02415	1.7
107.05025	1.8
109.02960	9.7
119.03533	1.1
121.02957	8.1
122.03725	2.5
123.00890	1.0
123.04498	3.3
124.01629	2.3
125.02447	74.4
126.02773	1.2
133.02950	2.3
135.04495	4.9
137.02448	66.6
138.02846	1.1
139.03947	1.5
146.03735	23.2
147.04472	4.0
149.02400	2.9
150.03214	1.7
151.03963	4.7
159.04494	12.0
160.05260	4.6
161.02429	2.2
161.06029	2.5
162.03142	1.2
163.04065	1.6
163.99919	1.2
164.01161	15.5
165.01927	42.3
167.03496	20.1
172.05293	5.9
173.02283	1.2
173.06033	3.9
174.03236	10.6
174.06818	3.6
175.03966	4.7
177.01933	6.3
179.03528	13.2
181.05138	1.1
183.04362	1.5
185.06036	3.0
186.06810	1.5
187.03966	6.3
188.04787	8.2
189.05624	1.8
195.13748	1.4
197.06097	1.4
199.07614	1.4
200.04755	4.9
201.05582	5.6
204.04228	6.1
209.06105	1.7
210.06839	2.6
211.03966	3.0
211.13390	1.6
212.04787	5.7
213.05435	1.7
223.07646	1.4
223.13493	1.7
224.04832	1.7
225.05553	4.8
225.13026	1.1
226.06332	1.7
227.07121	1.5
228.07768	1.4
237.05447	1.1
238.06239	1.5
241.12274	1.3
243.13831	2.2
244.07411	1.6
251.07123	2.1
252.07918	3.1
253.12257	2.1
255.13884	3.2
265.08630	1.5
268.07425	3.7
269.11768	4.3
270.09000	3.1
271.13379	33.8
281.11890	1.9
283.13428	2.6
285.14935	3.9
287.12820	2.8
288.06366	2.0
289.14450	12.6
291.95834	1.1
293.21201	4.7
294.08942	3.9
295.13321	3.9
297.14978	4.3
299.12881	7.8
301.14511	3.4
309.15030	2.3
312.14236	1.2
313.14417	16.5
315.15979	3.5
317.13940	5.9
325.14352	10.9
331.15411	3.0
335.16544	2.7
337.14468	7.6
339.16077	1.2
343.15393	6.3
351.16022	4.0
353.17453	2.7
355.15372	3.2
369.16644	1.8
377.17502	4.4
379.15616	2.5
393.17172	2.9
395.18552	6.7
411.18185	1.6
419.18622	12.0
420.18887	1.4
437.19583	8.8
463.17661	3.6
481.18784	2.1
567.24530	4.4
579.24237	1.7
591.24719	1.4
673.28705	6.5
717.27777	5.4
843.45490	15.2
844.46429	2.2
855.45459	13.3
856.44830	1.6
867.45886	7.5
873.46185	9.8
874.46698	1.9
909.47345	1.5
933.46747	1.3
949.49445	17.4
950.49603	3.3
967.47693	3.4
975.47668	4.1
993.48505	100.0
994.48578	18.3
1011.49548	74.7
1012.49835	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	1008.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79781	100.0
94.36783	34.3
152.18095	30.3
152.59813	31.7
157.76846	31.2
212.38846	30.1
250.84322	30.5
273.86215	31.2
281.47824	32.4
287.79074	36.1
409.81381	33.2
614.63855	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	7.8
73.02959	1.6
81.03440	1.0
83.01427	1.2
85.02960	2.1
85.13592	0.8
85.63570	0.8
87.00871	1.2
87.52633	1.0
88.07101	0.8
89.02441	5.6
97.02967	1.2
98.19855	1.5
99.00916	1.6
101.02488	6.6
109.02946	1.4
113.02451	3.3
119.03503	1.4
125.02420	4.0
137.02431	2.4
143.03476	1.1
151.00366	1.1
152.01137	1.4
161.02457	1.6
165.01950	1.2
165.12830	3.4
177.01942	1.0
183.13896	30.9
227.12836	4.4
415.14545	1.0
433.11331	1.1
441.32925	0.9
577.19830	0.9
625.27106	100.0
626.27344	8.2
714.17383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02985	1.0
71.01389	3.0
71.38692	1.5
71.39056	0.7
75.00875	1.5
81.03456	5.1
83.01385	9.1
85.02959	1.3
89.02464	0.9
93.03461	3.5
95.01395	2.9
95.05016	4.8
96.96030	0.9
97.02953	11.1
98.70204	0.7
101.02437	1.5
102.05610	9.9
103.05951	0.9
103.58260	0.7
108.02168	2.3
109.02950	28.5
109.06563	1.0
111.00888	1.3
111.08163	1.4
113.02372	1.0
113.03605	1.6
114.01956	1.4
119.03490	0.6
121.02942	6.6
122.03756	1.9
123.00900	1.1
123.04519	21.6
123.05379	1.3
125.02444	24.2
125.09687	1.2
126.02760	1.0
126.03656	0.7
128.03534	9.3
129.03920	1.0
131.04594	3.2
133.02968	1.4
135.04506	4.6
137.02443	25.0
138.03215	0.9
139.04010	6.9
145.02945	2.5
146.03804	2.0
146.04611	29.6
147.04855	2.9
149.02426	10.5
150.03246	1.4
151.04008	10.1
152.41286	0.6
157.06264	0.9
159.04510	6.4
160.05293	2.8
161.02458	5.5
161.06084	11.3
162.03235	3.4
163.00394	2.6
163.04016	2.3
164.01138	8.0
165.01917	9.0
165.05560	1.0
167.03450	3.3
173.06027	1.6
174.03201	1.6
175.03975	5.0
175.07611	4.0
176.01262	1.8
177.01927	4.6
177.05566	1.2
179.03503	10.1
179.14409	0.8
181.12350	0.7
185.06084	2.4
187.03967	7.2
188.04774	7.7
189.05446	0.9
195.13934	2.5
197.11871	6.2
199.07556	1.3
201.05606	2.0
202.06346	3.9
203.03539	2.0
203.07137	24.6
204.04323	1.0
204.07629	0.9
205.05043	15.5
206.05348	0.7
209.11635	0.8
211.13374	2.5
212.04741	1.6
217.08777	1.5
221.08134	4.0
223.13420	2.9
227.07138	4.2
230.05774	1.0
231.02974	1.7
235.08282	1.0
245.08176	26.3
247.06123	2.6
247.13481	0.8
253.09190	7.7
265.14600	0.9
275.20190	2.1
277.21689	3.5
289.07181	100.0
290.07495	4.7
291.12305	0.7
291.19617	5.2
293.21228	26.5
294.21594	1.8
309.20676	18.2
310.21097	1.0
323.22351	0.8
545.29517	1.8
585.41022	0.9
805.43652	1.7
859.44971	5.9
860.44531	0.9
967.48248	1.6
993.48840	6.5
994.48877	1.4
1011.49542	95.9
1012.49902	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	1006.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55758	84.3
88.27982	84.6
108.63660	78.9
112.27335	84.3
219.47946	81.1
236.51645	88.8
237.13708	91.8
287.85388	85.8
297.98590	98.9
408.65875	100.0
713.71368	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
95.62483	68.0
168.99109	72.8
179.64026	75.9
297.91019	73.4
441.50421	76.1
856.20251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72228	100.0
72.62881	60.2
78.17472	64.4
107.66181	66.3
154.75041	72.5
163.40903	66.0
171.88408	62.3
307.69571	69.3
372.89944	63.4
381.28522	67.7
444.39597	81.3
568.66217	67.8
679.23047	80.1
798.77008	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63513	2.0
70.63914	2.0
71.01379	27.0
71.94292	1.1
72.99291	2.6
73.02922	5.2
75.00862	1.3
78.36396	1.2
81.03472	2.2
81.47275	1.1
83.01393	2.4
83.05022	3.1
85.02951	6.2
87.00878	6.5
89.02442	22.3
95.01395	2.0
95.05040	2.1
97.02962	5.0
99.00861	1.8
99.92576	2.1
101.02433	21.3
109.02943	1.0
109.06596	1.4
111.00882	1.2
111.08137	4.2
113.02453	7.6
113.09731	11.5
114.06751	1.0
116.92850	9.5
117.92890	1.7
119.03520	8.3
121.02995	6.2
123.04517	1.7
125.02458	6.6
125.09686	1.9
129.09290	1.2
139.11305	1.9
141.02022	1.6
143.03491	3.6
145.05109	1.4
149.04546	1.9
153.12854	1.2
161.02534	1.6
161.04546	5.8
163.11244	3.2
165.01959	5.0
165.12816	3.7
167.10765	3.1
168.63371	1.0
169.12315	2.1
171.10257	3.5
177.12796	1.7
179.05557	6.5
179.10757	1.6
181.12317	2.1
185.11935	1.4
188.04906	1.2
191.14438	1.2
193.12169	1.1
194.14690	1.1
195.13918	7.4
197.11824	21.9
198.12062	1.3
209.11800	14.7
211.13400	5.2
221.06543	1.2
227.12842	4.9
231.50919	1.0
235.08252	7.5
235.10269	1.5
247.20668	1.2
249.22211	1.3
263.20190	1.6
275.20157	1.5
277.21643	7.7
287.07565	1.4
289.18002	7.2
291.19650	38.8
292.19897	2.9
293.21231	100.0
294.21616	6.5
295.22769	27.4
296.22952	1.3
305.08441	1.4
305.98489	1.1
307.19214	5.9
309.20703	50.6
310.21152	2.5
311.22293	21.9
323.09650	1.4
379.12463	2.0
397.13528	40.3
398.13730	1.8
415.14606	20.6
465.82260	1.2
689.33710	1.3
929.46155	1.2
1001.52881	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	1001.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	10.7
71.01774	0.5
72.99313	1.0
73.02969	1.5
74.79043	0.4
81.03467	0.4
83.01395	1.3
83.05036	0.4
85.02946	8.1
85.03450	0.4
87.00880	2.4
87.65590	0.4
89.02448	8.1
95.01398	0.7
95.05048	0.5
97.02962	2.3
97.06591	2.0
98.20753	0.7
99.00897	0.9
99.04525	0.3
101.02431	7.2
111.08205	0.4
113.02453	4.1
116.92869	0.3
119.03477	2.7
119.08667	0.4
125.02443	2.2
125.09733	1.0
127.11307	1.0
131.03516	0.7
137.09732	2.3
141.01862	0.4
143.03540	1.3
153.09108	0.3
155.10803	0.6
161.04552	1.6
165.12862	0.4
167.14417	0.7
171.10274	19.3
172.10709	0.5
177.12837	0.7
179.05609	2.8
179.14412	0.5
183.13914	2.4
185.11813	0.6
193.12285	0.6
195.13893	5.0
201.11375	1.2
205.12366	0.4
209.11870	0.8
211.13387	8.6
221.06659	0.8
221.11827	1.3
223.13402	3.0
228.13565	0.4
229.12302	0.5
229.14470	6.1
235.08276	2.7
239.12851	1.3
253.09299	0.8
256.13232	0.9
275.20160	2.8
285.40591	0.3
287.07556	0.5
291.19717	2.3
293.21225	57.6
294.21536	3.5
305.08652	0.4
309.20724	6.6
310.20908	0.4
323.09680	0.7
327.21750	100.0
328.22058	4.8
379.12634	0.5
397.13489	28.3
398.13931	1.1
415.14539	21.2
416.14923	1.1
513.19159	0.4
545.29828	0.4
603.42676	3.7
604.42480	0.5
691.35358	4.7
692.35480	0.6
707.34875	6.6
708.34839	0.9
725.35803	4.1
841.39368	0.4
890.29584	0.3
1001.56567	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	1001.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75188	1.8
71.01406	0.4
74.02475	0.6
81.03458	18.4
83.01393	1.0
83.05029	8.0
86.02432	0.4
87.05696	0.3
89.39568	0.3
93.03453	6.1
97.02950	0.5
99.05627	0.5
109.02956	7.7
111.04521	58.7
112.04837	1.0
121.02954	1.4
123.04533	1.0
125.02444	8.2
127.04014	100.0
127.82807	0.3
128.03519	1.4
128.04359	2.1
133.02971	0.4
135.04527	0.3
137.02432	7.9
143.04593	1.9
147.04510	0.5
149.02440	7.1
151.03983	1.3
155.03503	72.0
156.03831	1.5
159.35698	0.3
159.82907	0.4
160.00728	0.5
161.02437	2.2
163.04034	0.5
164.04784	3.6
175.03998	1.0
175.07716	0.4
177.01830	0.4
179.04671	0.5
187.04013	1.0
199.02475	87.3
200.02878	2.0
203.07115	0.8
205.01434	0.5
205.05061	0.7
208.03687	0.5
210.08720	0.9
217.03545	0.7
223.06122	3.1
229.04997	0.4
243.03026	0.6
245.04619	0.8
245.08168	1.1
255.02922	0.9
256.03830	0.5
273.04025	0.7
287.05551	1.5
289.07159	5.6
299.05429	0.6
306.07629	4.0
307.07907	1.0
339.08820	0.7
404.14990	1.2
405.15009	0.6
407.07678	6.4
408.07944	0.6
423.09308	8.0
425.08746	7.3
426.08972	0.5
427.73563	0.3
430.27484	0.4
435.52261	0.4
451.10397	2.2
577.13538	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	1001.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93148	0.3
70.93472	0.6
71.01382	9.7
72.99306	0.7
73.02945	1.2
75.00889	0.3
78.79981	0.3
81.03472	0.5
83.01395	0.7
83.05012	0.9
85.02949	6.2
87.00878	2.3
89.02441	7.3
95.01366	0.7
95.05042	0.3
97.02937	2.5
97.06568	1.9
99.00881	0.7
101.02441	6.6
103.88410	0.3
111.00916	0.4
111.04511	0.5
113.02439	3.6
119.03484	1.9
119.08642	0.4
123.04492	0.4
123.08153	0.7
125.02456	2.9
125.09730	0.8
127.11284	1.3
131.03439	0.4
137.09697	1.5
139.04044	0.4
143.03476	1.3
149.04530	0.3
155.10732	0.9
155.14529	0.3
161.04582	1.7
163.11282	0.5
165.12834	0.6
167.10735	0.6
167.14378	0.5
171.10263	18.6
177.12813	0.9
179.05623	2.6
179.14328	0.6
181.12238	0.4
183.13908	3.1
185.04539	0.4
185.11810	1.1
193.12335	0.7
195.13863	4.3
196.14529	0.5
197.11797	0.5
197.15141	0.3
201.11296	1.1
203.10695	0.4
205.12457	0.4
209.11816	1.4
211.13388	12.9
212.13556	0.4
221.06679	1.4
221.11850	2.3
223.13388	2.8
229.14426	9.3
235.08151	2.9
239.12875	1.4
247.20741	0.5
253.09319	0.9
256.13177	0.6
263.07712	0.4
265.21808	0.4
275.20163	2.5
287.07666	1.0
291.19635	4.4
292.19992	0.4
293.21210	47.1
294.21500	2.6
305.08841	0.8
309.20676	8.8
310.21149	0.6
323.09741	0.6
327.21744	100.0
328.22073	5.0
397.13480	22.8
398.13992	0.9
415.14545	18.7
416.15076	0.6
545.29510	0.4
603.42627	4.0
691.35437	3.6
707.34985	7.1
708.35632	0.6
725.36011	6.4
726.36395	0.5
1001.56525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.1
69.07081	2.6
70.06573	0.4
71.08621	0.4
71.52022	0.7
79.05487	6.5
81.03422	0.8
81.07063	9.3
83.04975	1.7
83.08625	1.0
85.02887	1.0
85.61691	0.4
91.05486	5.9
93.03402	1.3
93.07050	7.3
95.04946	1.4
95.08618	6.9
97.02879	1.4
97.06506	0.7
97.10177	0.8
98.97764	0.4
103.05490	0.7
105.07043	3.2
107.04950	1.0
107.08611	3.7
109.06509	0.7
109.10165	2.3
111.04457	5.7
115.05464	1.2
115.44810	0.5
117.07034	1.7
119.08577	3.2
121.02878	0.8
121.06516	1.2
121.10146	2.7
123.04436	5.2
123.11691	0.7
125.09624	0.5
127.03918	1.0
128.06250	0.7
129.07007	1.1
131.04958	0.9
131.08563	2.0
133.06476	0.8
133.10130	1.7
135.04436	2.6
135.11732	2.1
137.06007	0.6
137.09686	0.4
139.03909	100.0
140.04277	1.1
141.05464	0.9
141.06993	0.9
145.06491	1.2
145.10120	0.9
147.04395	1.4
147.11700	1.0
149.06000	3.4
149.13257	0.7
151.03914	6.8
153.05544	1.0
153.06926	1.0
155.08556	0.8
157.06546	0.7
157.10129	0.5
159.04431	0.8
159.11696	1.0
161.05998	5.8
161.13264	0.9
163.03912	42.3
163.11057	0.6
164.04288	0.5
165.05469	1.2
165.06859	0.5
167.08557	0.8
169.06435	0.8
171.08064	0.8
173.05989	13.6
173.13310	0.5
175.03951	1.1
175.07553	2.0
177.05490	4.9
179.03389	1.2
181.04958	5.1
181.06512	1.8
183.08093	0.8
185.06020	1.3
187.03954	2.0
187.07538	6.5
189.05492	2.6
189.09219	0.7
191.06998	0.9
195.08092	1.0
197.06017	1.8
199.07532	4.4
201.05528	2.5
201.09155	2.0
203.07097	0.7
205.04970	9.9
205.06718	0.7
209.05865	0.5
210.06683	0.8
211.07521	2.5
213.05513	1.3
213.09093	2.6
215.07066	0.9
217.05043	1.3
221.09737	0.6
223.07573	2.0
224.35153	0.4
225.09143	1.5
227.07018	0.8
229.04990	2.5
231.06490	0.5
235.06004	2.5
237.09126	0.6
247.05988	2.3
249.09048	0.6
253.12436	0.6
259.20596	0.6
260.44211	0.5
261.22198	1.5
265.07159	1.4
267.13788	0.6
269.15408	1.0
271.06064	0.5
279.13864	0.8
283.08282	4.7
285.14883	1.4
287.16461	0.8
291.13611	0.5
295.05994	2.0
297.14990	1.1
299.16464	0.7
301.09201	7.4
308.06931	1.1
309.07544	0.7
309.15155	0.5
313.07184	1.2
313.14307	0.6
315.15884	5.1
317.08240	0.6
321.07605	1.1
321.15085	0.8
323.16397	0.6
325.14612	0.7
327.16003	2.0
333.24164	0.7
335.09293	0.9
335.25806	16.3
335.29861	0.8
337.27548	0.7
339.15967	1.8
359.18683	3.0
389.19571	1.9
401.19754	0.6
407.21390	0.4
419.20563	0.7
421.16422	2.7
429.16971	0.7
437.19833	0.7
447.18060	5.1
465.19037	4.4
495.20218	0.9
513.19165	0.5
521.21741	0.7
531.20313	0.6
539.22540	2.1
619.40271	1.0
637.41608	0.6
649.41388	2.9
661.40900	1.7
665.40332	0.6
673.41034	1.0
679.41748	1.2
691.41669	1.0
773.42432	0.7
781.42664	0.7
799.44110	4.3
800.44592	0.5
812.35352	0.5
817.45105	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	995.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.5
69.07081	3.1
70.06598	0.6
71.01333	0.7
71.51508	0.9
77.03944	0.7
79.05063	1.0
79.05496	11.5
81.03422	1.2
81.07063	13.7
83.04976	2.4
83.08617	2.4
85.02894	2.2
91.03998	0.7
91.04974	1.1
91.05489	12.9
93.03406	1.8
93.07051	10.3
95.04989	3.4
95.08606	7.8
97.02899	1.6
97.06522	0.9
97.10155	1.5
103.05473	1.7
105.03387	0.9
105.04507	0.8
105.07037	10.5
107.04972	1.8
107.08613	6.9
109.02905	1.1
109.06543	1.2
109.10147	4.2
111.04456	5.6
115.05452	2.2
116.27724	0.6
117.07032	5.5
117.34862	0.6
119.04994	0.8
119.08591	7.7
121.02873	2.3
121.06513	6.1
121.10146	4.5
123.04430	8.6
123.08058	1.2
123.11700	0.7
125.05980	0.7
127.03943	1.6
128.06229	1.1
129.07030	4.2
131.04941	1.9
131.08546	6.1
133.06523	1.7
133.10107	6.5
135.04431	3.7
135.08035	0.7
135.11707	2.3
137.06012	3.0
137.09596	0.7
139.03912	100.0
140.04221	1.0
141.05478	1.6
141.06995	1.7
143.04913	0.8
143.08582	2.5
145.06480	1.7
145.10129	3.8
147.04436	3.6
147.08160	0.9
147.11725	4.0
149.02287	0.8
149.06009	4.6
149.09650	1.0
149.13281	1.0
151.03917	26.3
153.05493	9.0
153.06960	2.1
155.04939	1.0
155.08554	1.2
157.06511	2.2
157.10139	1.9
158.07214	0.7
159.08005	0.7
159.11697	3.1
161.06009	9.7
161.13261	3.1
163.03920	48.6
163.07578	2.0
165.05542	3.7
165.06848	0.8
167.07262	0.7
167.08572	1.8
169.06531	1.7
171.04453	0.8
171.08066	1.2
171.11731	1.7
173.06001	21.0
173.13208	1.6
175.03946	4.7
175.07466	3.3
175.14809	0.7
177.05487	10.5
179.03421	2.0
179.07034	3.1
179.08490	1.0
181.04984	4.0
181.06531	1.7
181.10242	0.6
183.08070	1.5
185.06013	2.0
185.13313	1.1
186.06711	0.9
187.03917	2.0
187.07556	10.4
189.05482	6.3
189.09052	0.7
191.03371	1.1
191.07080	2.0
193.04984	2.3
193.06593	0.8
193.08693	1.8
195.08084	2.8
197.06053	2.6
199.07526	7.5
200.04724	1.2
201.05446	4.0
201.09102	3.0
202.06198	0.7
203.07085	2.6
203.10713	0.7
203.77129	0.7
205.04982	10.9
207.10121	1.0
209.09567	0.8
210.06808	0.9
211.07607	4.5
213.05528	4.9
213.09100	4.7
213.16507	1.2
214.06157	0.9
215.07135	2.9
217.05019	2.0
217.08615	2.0
219.06485	0.6
219.10135	8.5
221.11708	0.9
223.07570	2.5
223.11060	0.8
224.08200	0.7
225.09071	3.0
226.06149	0.9
227.07005	3.5
227.10733	0.9
229.04982	3.6
229.08490	1.4
231.10173	1.2
235.06062	2.2
235.11122	1.0
237.09125	2.0
237.12845	0.7
239.07072	0.9
239.10764	0.8
241.08606	1.5
241.19583	1.7
243.10246	2.7
247.06015	1.5
249.09200	0.9
250.10037	0.7
251.07086	1.0
251.14594	0.7
253.12370	0.8
253.17986	1.7
257.11765	0.9
257.19092	1.6
259.20541	6.9
261.22302	1.1
265.06964	0.8
265.12256	1.3
267.13943	1.3
269.15170	0.8
271.13446	0.8
273.14963	0.7
277.21887	0.7
281.15619	0.7
283.08328	3.5
285.11462	0.9
285.14740	1.4
287.16498	1.0
293.08243	0.9
293.15259	1.0
295.06070	2.8
297.14957	2.2
299.16626	0.9
301.09283	7.0
301.14560	0.9
309.07617	1.3
309.14792	1.3
311.16229	1.0
313.14337	0.9
315.15970	5.5
315.23126	0.7
319.06390	0.9
321.07535	0.8
325.14569	1.6
327.16022	2.7
333.24289	8.8
335.09213	1.1
335.25888	1.4
339.15955	1.6
343.15131	0.7
359.18658	2.2
389.19537	2.1
397.23727	1.6
399.17957	1.0
401.19675	1.3
409.23584	1.4
419.20557	1.1
421.16434	0.8
445.16196	1.7
447.12643	0.7
447.18015	3.0
461.19626	0.7
463.17706	2.1
465.19162	1.5
470.22189	0.9
503.20587	0.9
511.18805	0.7
539.23157	1.1
545.25476	0.7
555.34424	0.8
557.23859	0.8
585.23352	0.7
585.34717	0.9
597.34784	0.7
621.37158	0.6
635.39093	2.4
647.39392	2.7
649.40356	0.8
653.40204	0.9
659.38910	2.1
661.40381	0.9
665.40961	0.7
671.40131	1.3
675.30566	1.0
677.40558	2.0
681.39838	1.3
689.39984	1.6
690.44666	0.7
693.32513	1.8
695.41663	0.9
705.37384	1.0
761.39636	0.7
771.40588	2.8
779.41205	1.3
787.43744	0.8
797.42706	10.1
815.43561	15.3
816.44629	0.9
833.44196	1.5
839.43353	1.0
953.50867	0.7
1012.59436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	2.1
69.07081	0.7
69.19035	2.6
71.05013	0.3
73.02928	1.9
73.56461	0.2
76.85238	0.2
79.05502	1.9
80.81525	0.2
81.03433	1.3
81.07059	1.9
83.08629	0.4
85.02913	3.3
91.03957	2.0
91.05488	2.4
93.07053	2.7
95.04991	0.5
95.08646	1.1
97.02905	3.6
99.04462	0.7
101.02414	0.9
105.04520	0.3
105.07035	1.6
107.07977	0.3
107.08634	1.1
109.02904	0.5
109.06574	0.3
109.10185	0.3
117.07059	0.5
119.08556	1.3
121.10188	0.8
127.03920	1.5
131.08627	0.7
133.10155	0.9
135.11739	0.5
139.03929	0.6
143.08662	0.4
145.05077	0.5
145.10185	0.3
147.11763	0.8
157.04814	0.2
159.11803	0.5
163.03935	0.4
185.04326	1.1
201.03752	0.7
203.05260	1.2
231.44408	0.3
243.08501	2.1
259.07980	0.7
259.20734	0.5
301.09167	1.0
315.10681	0.5
317.20993	0.7
319.10098	0.6
347.09497	3.5
363.08978	1.6
365.10858	1.0
369.15588	0.4
373.23669	0.3
383.16980	0.3
397.18423	0.3
405.13718	6.7
443.19040	0.3
463.14297	1.6
465.21350	0.9
475.14499	0.7
477.15955	1.3
489.16440	0.3
517.19482	0.5
525.23163	0.4
531.20349	0.3
535.28741	6.3
545.22552	0.6
547.24078	0.4
559.23798	1.0
599.26068	0.3
607.31281	0.5
627.26355	1.0
657.27435	0.3
687.28558	0.9
697.34106	9.7
698.34100	0.3
739.33881	0.4
769.36108	1.5
797.39398	0.3
811.40894	0.3
829.50323	0.4
853.44537	0.5
855.22528	0.3
893.50085	0.3
921.48279	0.4
991.56073	100.0
992.56293	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	986.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	7.9
69.07074	23.4
70.91151	2.0
71.01373	1.2
71.05005	5.2
73.02912	2.7
77.03892	1.2
79.05501	66.0
81.03431	10.2
81.07063	82.2
83.04991	8.6
83.08636	13.0
85.02913	10.8
85.06551	3.5
91.03969	3.3
91.04909	1.4
91.05489	46.5
93.07052	68.8
95.04977	8.0
95.08615	45.3
97.02905	8.4
97.06538	13.5
97.10177	10.0
99.04453	2.2
99.08128	2.6
105.04523	2.1
105.07041	35.7
107.04967	6.3
107.08604	43.1
109.02865	2.9
109.06532	4.6
109.09464	1.8
109.10168	22.9
111.04437	1.4
111.08085	3.8
113.09631	1.1
115.05447	1.7
116.06231	1.0
117.07024	16.1
119.08594	26.9
121.06538	3.3
121.10154	27.5
123.08076	4.0
123.11712	6.2
125.09622	5.4
127.03936	6.0
128.06256	1.8
129.05484	1.9
129.06995	5.6
130.07819	1.2
130.94630	0.9
131.08582	21.5
133.10146	21.8
135.08113	4.7
135.11714	18.6
137.09615	2.0
137.13303	0.9
139.11127	1.1
141.07007	0.9
143.08583	4.6
145.04988	2.4
145.10126	16.1
147.08081	1.7
147.11697	14.0
149.09586	7.9
149.13281	13.0
151.11224	1.6
151.14880	1.1
155.08578	2.5
157.10124	5.2
159.11696	14.0
161.09659	1.2
161.13312	6.1
163.11221	5.8
163.14880	4.3
165.12828	1.2
169.10141	3.1
171.10349	1.2
171.11694	4.9
173.04503	3.0
173.11922	1.4
173.13281	8.5
175.11226	1.8
175.14828	2.5
177.12799	3.6
179.14326	2.4
181.12343	1.0
183.11734	3.4
185.13303	2.1
187.11375	1.5
187.14861	3.5
189.11218	2.5
189.12729	1.3
189.16415	1.2
195.11836	0.8
195.13799	4.3
197.13324	2.8
199.14906	2.0
201.16531	1.4
211.14856	1.5
213.16534	1.7
219.13899	0.9
227.12769	9.1
229.14404	2.7
229.19516	1.9
235.17082	1.0
239.17979	2.9
241.19588	1.4
243.12253	1.1
243.21129	4.4
247.20609	2.0
253.14398	1.0
255.15941	5.8
257.19025	5.1
259.20609	4.1
261.14890	1.0
261.22141	12.8
267.16003	2.3
269.17484	22.3
275.20102	29.2
277.21652	1.8
285.22278	1.2
293.21121	3.1
299.23785	1.1
317.24817	2.8
321.24399	1.0
331.22678	2.4
333.24246	1.7
335.25833	100.0
336.26154	2.8
349.23785	28.9
351.25665	1.1
367.24771	3.1
405.26056	1.1
413.21924	2.1
437.34198	1.4
455.35181	1.2
473.36606	1.0
480.63879	0.9
489.35736	2.9
505.34805	1.3
511.29138	1.3
513.39612	1.0
515.37341	24.8
516.38147	1.2
529.38940	78.9
530.39063	2.9
535.41882	1.5
551.06342	1.1
569.41760	2.6
581.45734	1.0
609.45184	45.9
610.45642	2.5
627.46204	14.9
649.38867	1.1
673.43201	2.9
771.50305	2.2
878.14319	1.0
986.58020	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	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03127	1.1
69.03429	11.0
69.07070	25.8
71.04994	5.6
71.51710	1.5
73.02916	6.9
77.03920	1.2
79.05492	78.9
81.03413	11.2
81.07056	96.2
83.04984	10.7
83.08618	14.6
85.02898	24.7
85.06521	3.3
88.36778	1.0
91.03964	11.4
91.05482	75.0
91.60587	1.2
92.05760	1.2
93.07043	100.0
95.04977	13.1
95.08605	65.2
95.09115	1.0
97.02898	16.8
97.06535	11.3
97.10161	5.4
99.04452	3.6
99.08079	6.4
103.05460	3.3
105.04501	3.6
105.07030	60.5
106.07380	1.2
107.04948	4.5
107.08595	48.3
109.02837	2.2
109.06524	5.9
109.10155	25.2
111.04417	2.8
111.08084	5.5
113.09601	1.6
115.05446	3.4
116.06195	2.1
116.99165	1.1
117.07019	24.9
119.04970	1.6
119.06042	1.4
119.08585	52.0
121.06493	3.9
121.10145	35.4
123.08097	5.4
123.11715	8.1
125.09612	2.5
127.03909	10.0
128.06187	1.8
129.05450	4.0
129.07013	13.0
130.07777	2.2
131.08569	32.1
131.09526	2.1
133.06477	2.1
133.10130	41.0
134.77261	1.2
135.08041	1.9
135.11697	24.0
137.09593	3.7
137.13196	2.2
139.11134	2.0
141.06996	2.8
142.07808	2.2
143.08543	9.4
144.09315	1.9
145.04962	9.4
145.06113	1.4
145.10120	24.5
145.11258	0.8
147.08032	1.6
147.11685	25.2
149.09634	8.4
149.13263	19.1
151.11200	1.4
155.08635	2.6
157.10130	10.9
159.11699	25.2
161.13257	15.3
163.06000	3.3
163.11166	3.5
163.14790	4.8
169.10085	3.1
171.11694	11.2
173.04402	2.0
173.13254	14.7
175.11162	2.2
175.14822	7.1
177.12729	3.1
179.14336	2.8
181.10109	1.3
183.11700	3.8
185.13263	6.8
187.14798	3.9
189.12703	1.4
195.11703	1.2
195.13783	5.6
197.13206	3.4
199.14809	3.8
201.16370	2.9
206.38760	1.2
211.14906	2.0
213.16452	1.9
214.22736	1.1
215.17856	1.4
227.12724	1.7
229.19507	2.1
231.21019	2.5
239.17952	1.5
241.19540	12.0
243.12170	2.3
243.21033	4.6
257.19070	7.0
259.20587	24.7
261.22192	12.0
269.17447	14.1
275.20084	13.1
277.21637	1.7
289.21814	1.2
293.17844	1.3
293.21014	7.2
313.21609	1.7
315.23071	2.2
317.24820	2.4
331.22809	1.6
333.24243	24.6
335.25803	95.4
336.26086	1.7
337.27261	3.5
349.23737	10.7
353.28394	1.3
382.80112	1.1
469.28937	1.1
515.37134	2.1
519.41809	3.5
529.38922	46.8
530.39191	1.4
537.42987	1.7
541.38721	2.9
583.18091	1.3
593.45630	6.4
609.45325	9.5
611.46716	35.7
612.47162	2.4
627.46075	5.9
701.47607	1.4
755.50763	1.5
986.55939	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	2.1
69.07071	12.0
70.06586	1.4
71.04980	2.0
71.06280	1.2
71.06605	1.5
71.08618	0.8
73.02921	1.6
75.17567	0.8
79.05495	35.6
81.03444	1.8
81.07061	32.2
82.45459	0.8
83.04981	1.7
83.08625	5.7
85.02908	6.4
85.06512	1.1
89.06019	1.3
91.03961	4.7
91.05482	36.7
93.07045	38.0
93.47039	0.7
95.04973	4.5
95.08614	28.9
97.02917	4.4
97.06535	2.2
97.10163	2.5
99.08114	0.9
103.05461	1.7
105.04522	1.8
105.07034	35.3
107.04927	1.0
107.08600	20.4
109.02886	0.9
109.06529	2.0
109.10164	12.6
111.11769	0.9
115.05466	2.4
116.07086	1.7
117.06232	1.5
117.07025	19.7
119.08583	26.0
119.09895	1.0
121.06508	1.1
121.10160	15.7
123.08082	1.5
123.11685	2.5
125.09665	1.4
126.78382	0.8
126.79462	1.1
127.03918	2.0
128.06218	3.2
129.07007	13.5
130.07799	1.3
130.26010	0.9
131.08571	24.7
133.06465	1.0
133.08617	1.0
133.10132	17.2
133.21147	0.8
135.08015	0.9
135.11708	8.9
136.06113	1.0
137.13269	1.6
139.07678	1.0
141.06998	5.1
142.07788	2.8
143.08565	15.7
144.09328	1.3
145.04945	2.0
145.10130	21.7
147.11702	12.5
149.09633	1.5
149.13242	4.1
153.06996	1.5
154.07784	1.0
155.08551	11.2
156.09367	1.2
157.10133	13.0
159.08034	0.9
159.11705	13.1
161.09561	0.9
161.13292	6.5
163.06013	2.9
163.14832	2.3
165.07001	1.3
167.08571	5.6
168.09277	1.5
169.10129	11.5
170.10759	1.0
171.11691	13.0
173.13281	8.7
175.11192	1.0
175.14854	4.0
179.08572	1.9
180.09428	1.2
181.10146	8.6
182.10837	0.9
183.11711	9.2
185.13301	9.4
187.14830	4.8
189.16382	2.6
193.10162	2.2
195.11710	7.2
197.13277	8.8
199.14821	5.8
207.11708	3.1
209.13261	4.2
211.14839	6.4
213.16476	4.2
215.17999	1.4
221.13264	2.0
223.14807	4.3
225.16324	5.0
227.17989	2.9
229.19637	1.4
235.14922	1.7
237.16402	2.2
239.17949	3.1
241.19612	2.9
243.21170	0.9
249.16292	1.5
251.18011	1.3
255.17371	1.5
257.19003	3.2
259.20581	5.4
265.19485	1.5
283.20383	1.3
285.18622	1.0
285.22241	1.2
295.20456	1.6
299.20160	1.1
309.21906	1.2
311.23434	1.2
313.21732	1.7
321.21948	1.2
323.23651	1.2
331.22845	1.4
332.90778	1.0
333.24194	4.8
335.26041	2.2
337.25211	1.7
349.25101	1.5
351.26831	2.9
355.26300	1.3
365.28284	2.3
393.31830	1.0
409.31018	1.1
447.32123	2.1
483.34695	1.5
487.34039	1.5
499.39328	2.0
501.35574	2.1
509.36160	1.0
513.35815	1.0
515.37335	2.3
517.40436	10.5
527.37573	1.5
535.41650	6.0
539.37537	2.0
573.43414	1.1
591.44153	9.8
607.43347	1.7
609.45160	100.0
610.45691	6.5
621.45813	1.0
633.16791	0.9
675.45251	1.1
693.46558	1.0
717.46472	1.9
719.48218	1.0
735.48077	1.3
753.49146	2.6
771.50208	8.1
951.18256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.8
69.07072	15.6
69.93310	1.0
69.93587	4.8
71.04993	3.2
71.08634	22.2
73.02921	1.8
79.05491	22.0
81.03385	2.0
81.07061	46.2
83.04972	4.0
83.08618	15.6
85.02905	6.9
85.06532	3.0
85.10185	13.1
89.06026	1.3
91.03945	3.6
91.05486	16.3
93.07058	20.9
93.14190	1.1
95.04981	3.1
95.08607	31.1
97.02897	3.9
97.06532	7.0
97.10165	10.3
99.08107	1.4
105.07034	14.1
107.04973	4.9
107.08597	19.6
109.06512	4.4
109.10162	42.8
111.08086	4.0
117.07005	5.8
119.08585	11.7
121.06525	2.2
121.10156	6.4
123.08107	1.8
123.11694	4.9
125.09614	6.8
127.03934	1.6
129.06987	1.8
130.08624	1.6
131.08588	7.6
133.10133	9.8
135.08037	3.2
135.11703	3.5
137.09592	2.8
137.13243	2.0
145.10120	7.1
146.08191	1.2
147.11679	5.8
149.09631	5.7
149.13269	6.9
155.08627	1.3
155.10677	3.9
159.11652	4.9
160.27129	1.0
161.13249	1.3
163.06038	1.6
163.11143	4.0
165.12741	1.4
171.11606	1.4
173.11725	6.7
173.13188	2.2
177.12669	2.0
183.11617	1.1
189.11223	2.3
195.13834	1.5
197.13298	1.3
227.12807	8.9
229.14372	48.0
239.17813	2.5
239.23653	2.9
251.16226	1.3
257.19022	5.0
257.24854	2.2
265.59268	1.2
269.17480	19.0
275.20081	27.3
293.20996	5.4
313.27371	100.0
314.27689	3.1
331.22583	3.2
339.18167	1.5
349.23773	24.9
367.24890	18.1
413.21634	1.1
467.30670	1.8
467.37326	36.5
507.40494	52.4
508.40750	3.2
547.43378	1.8
554.12378	1.1
569.45618	1.1
587.46771	43.4
588.46838	1.7
605.38660	1.8
605.47870	27.7
606.47156	1.0
611.40466	1.1
651.45056	2.2
879.34369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.2
69.07074	21.6
71.04993	1.3
71.51054	2.5
79.05498	33.2
81.03413	5.6
81.07063	38.9
82.06579	1.8
83.04977	4.6
83.08624	5.5
84.08149	6.8
85.02883	1.7
85.06515	1.7
90.86398	1.3
91.04905	2.5
91.05485	50.5
93.07047	34.4
95.01333	4.8
95.05007	6.9
95.08611	26.6
97.06529	14.1
97.10192	3.3
99.08098	2.3
100.07607	1.4
103.05486	2.0
105.06319	3.3
105.07036	68.5
107.04982	11.4
107.08601	16.5
109.06523	4.4
109.10152	7.6
111.08086	1.7
115.05444	1.5
116.07079	1.4
117.07023	14.8
119.08588	36.7
121.06516	3.1
121.10127	10.7
123.04428	1.6
123.08051	2.7
123.11722	1.5
125.09628	1.7
127.43467	1.1
129.06966	5.8
130.08675	6.8
131.08583	18.5
133.10136	35.5
135.08064	2.7
135.11684	6.2
137.09641	1.6
139.17384	1.2
141.06883	1.5
143.08572	5.7
145.06427	2.0
145.10132	17.6
146.08095	4.7
147.11700	17.6
149.09637	3.9
149.13274	5.8
151.11212	1.5
155.08546	2.5
157.10141	5.4
159.11693	12.7
161.13248	14.5
163.11171	2.5
165.09132	1.9
169.10149	2.9
171.11630	6.9
173.13263	7.6
175.11143	1.4
175.14830	5.4
177.12769	3.7
179.14270	9.6
183.11705	2.2
185.13271	4.2
187.11075	1.8
197.13184	1.5
203.14305	1.8
211.14888	1.5
215.17960	1.4
229.16188	1.4
229.19191	1.3
231.20943	2.1
239.17987	2.5
241.19505	14.7
257.18961	5.2
259.20593	21.8
275.20081	44.6
277.21729	2.2
293.21158	3.0
315.23145	8.0
333.24231	48.4
349.23749	42.3
513.35632	2.5
551.40607	1.7
553.38617	1.5
607.43616	100.0
608.44128	5.5
625.44666	13.7
639.00000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	7.2
69.07072	22.6
69.07423	0.9
69.92045	1.5
69.92451	1.0
71.04948	2.1
73.02879	1.1
77.03901	0.7
79.05497	36.0
81.03421	4.7
81.07062	38.7
83.05001	2.8
83.08624	8.8
85.02911	4.1
85.06519	1.2
89.00600	0.5
91.03959	2.4
91.05484	22.9
93.07050	36.3
95.01299	0.6
95.04974	6.8
95.08612	27.1
97.02897	10.9
97.06518	3.3
97.10173	12.0
98.21526	0.7
98.60619	0.4
99.08055	1.0
101.13178	0.4
103.05431	1.1
105.04499	1.1
105.07034	17.1
107.04967	6.0
107.08599	21.1
109.02853	1.0
109.06504	2.9
109.10162	14.6
111.04392	1.2
111.08038	2.0
115.05414	1.3
117.07016	9.0
119.04913	0.9
119.08590	14.8
120.05689	0.6
121.06490	3.0
121.09354	0.9
121.10149	12.9
123.04425	0.9
123.08096	2.9
123.09480	0.5
123.11746	3.6
123.12538	0.7
124.37793	0.5
125.09637	7.7
127.03910	0.7
128.06215	0.5
129.07013	2.6
130.07715	0.5
131.08577	9.1
133.06450	2.0
133.10143	7.2
135.08043	2.4
135.10677	0.9
135.11699	7.9
137.06078	0.5
137.09578	1.8
137.13251	0.9
141.07007	0.7
142.07765	0.6
143.08560	3.2
145.04971	0.6
145.10129	8.2
147.08055	5.1
147.11685	4.9
149.09596	1.7
149.13281	5.1
151.11107	0.9
153.09061	0.7
153.12697	0.6
157.10121	2.5
159.11673	5.0
161.09592	1.8
161.13272	3.0
162.10402	1.1
163.11169	1.6
163.14807	1.3
165.09084	1.1
167.08527	0.6
169.10133	0.7
171.10222	0.6
171.11674	1.5
173.13315	2.6
175.11153	1.7
175.14842	0.7
177.12701	1.3
183.11697	0.6
185.13290	1.0
186.85765	0.5
187.11272	0.7
187.14792	0.8
189.11215	3.5
189.12646	0.7
193.12227	0.9
195.13811	1.0
205.12236	1.3
211.13222	0.8
223.13309	17.0
227.12816	2.8
229.14363	0.6
243.21049	2.0
245.19138	1.0
249.14923	3.1
253.14264	0.5
255.17490	0.6
259.20743	0.6
261.22137	7.4
263.20178	0.8
273.18515	9.8
291.19553	84.6
292.19852	2.0
317.24750	2.4
333.24329	0.6
335.25827	70.7
336.26215	1.7
347.22363	1.6
365.23248	42.2
366.23785	0.8
379.25677	0.5
505.35327	0.7
527.37274	1.5
545.38464	4.0
551.40698	0.7
607.43744	2.6
625.44672	100.0
626.45001	5.2
637.71417	0.5
643.45697	1.0
689.42450	0.6
769.49280	0.6
787.50415	0.6
875.84680	0.5
984.55945	1.0
985.57147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	12.9
69.07076	34.3
69.91998	2.8
69.92390	2.0
71.05006	11.7
71.08638	20.2
73.02910	4.1
77.03932	1.4
79.05499	35.7
81.03426	16.1
81.07063	50.9
83.04984	9.4
83.08235	1.2
83.08631	15.9
85.02917	15.8
85.06525	2.8
85.10189	12.2
89.06017	2.3
91.03951	4.9
91.05487	32.9
93.06486	2.2
93.07050	36.0
93.07639	1.9
95.04974	10.8
95.08614	35.4
97.02908	11.7
97.06540	55.7
97.10172	7.8
98.22729	1.0
99.04458	2.7
99.08105	6.0
103.05459	1.4
105.07041	21.5
107.04971	7.6
107.07876	1.4
107.08606	20.7
109.02872	3.9
109.06526	13.8
109.10168	15.4
111.04436	1.6
111.08067	5.2
115.05442	2.1
115.07574	18.6
117.07018	13.7
119.04930	1.2
119.08595	14.5
121.06541	7.1
121.10142	11.8
121.11592	1.1
122.19210	1.1
123.08041	4.8
123.11689	5.2
125.09610	2.8
127.03938	6.4
127.07549	1.8
128.06198	2.0
129.05496	2.5
129.07021	7.2
131.07059	1.7
131.08592	18.6
133.06532	6.0
133.10136	18.3
135.08081	9.6
135.11707	7.3
137.09630	3.0
138.28761	1.1
141.06943	2.2
141.91351	1.1
142.07834	1.8
143.08636	6.8
145.04985	1.9
145.06467	2.9
145.10132	10.3
147.08051	6.4
147.11713	5.4
149.09662	5.6
149.13226	7.5
151.11200	3.6
155.08589	2.5
157.10118	6.5
159.08102	2.6
159.11711	11.0
161.09612	7.4
163.11185	3.6
165.09131	1.2
165.12793	1.5
169.10106	2.6
171.11690	4.3
173.04474	7.3
173.09663	2.0
173.13315	2.2
175.11206	3.4
177.12727	5.5
179.10703	1.3
183.11778	2.4
185.13252	3.0
187.11145	2.1
187.14787	1.5
192.41125	1.2
195.11832	1.2
195.13811	4.1
199.11180	1.6
199.14819	4.6
201.12637	1.4
203.14392	1.2
205.12360	1.2
207.13905	1.3
213.16420	1.2
217.15903	14.6
219.13864	1.5
221.15347	2.1
223.13342	1.2
227.12761	1.3
227.17810	1.5
233.15378	7.1
237.16495	1.6
239.23700	4.7
241.10854	1.3
245.19012	4.5
251.16434	1.2
253.14320	6.7
255.15660	2.3
257.24655	2.5
263.20190	2.6
267.16083	1.3
269.17480	24.8
273.18521	41.4
275.16342	1.2
275.19952	1.7
279.16043	1.6
289.17972	1.5
291.19568	20.6
293.17264	1.2
297.17059	1.7
300.88531	1.1
303.15659	1.3
307.19089	10.0
309.20483	1.9
313.27393	100.0
314.27679	3.6
329.21066	1.5
347.22168	21.8
365.23273	18.5
369.30057	3.8
371.22186	1.3
383.24268	2.8
389.23087	1.5
455.24905	1.3
493.38940	5.9
507.40506	39.5
508.40491	2.0
509.27298	1.7
509.38181	2.1
529.42267	1.6
533.42310	2.5
535.39850	3.9
545.42126	7.8
563.42883	1.7
575.46307	1.7
585.45386	12.5
603.37372	2.2
603.46252	33.3
604.46429	1.6
621.47375	14.5
635.12524	1.5
635.24249	1.2
729.49176	1.9
747.50409	1.2
765.51068	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	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	7.0
69.06741	3.0
69.07077	27.3
71.04975	3.0
71.51601	4.4
73.02914	6.1
79.05497	92.7
81.03420	5.2
81.07060	95.3
83.04965	5.9
83.08646	13.8
85.02900	19.2
85.06522	3.8
91.03975	13.0
91.04914	3.4
91.05487	92.9
93.07049	94.9
95.04959	9.0
95.08612	78.2
95.09142	1.6
97.02872	9.2
97.06519	5.4
97.10157	3.9
103.05460	2.5
105.04471	3.2
105.07039	82.7
107.08598	43.5
109.06505	5.5
109.10157	30.2
111.08086	4.9
115.05473	3.4
117.07036	27.2
119.07723	3.5
119.08581	61.4
121.06471	4.1
121.10152	39.8
123.08042	5.0
123.11700	10.5
127.03878	4.7
128.06215	4.3
129.06979	17.7
130.08665	3.4
131.08580	36.2
133.10144	48.9
135.11714	28.8
141.07045	3.9
143.08572	15.6
145.04985	5.5
145.10139	32.0
147.11690	38.9
149.13278	18.6
155.08557	5.1
157.10146	13.0
159.11699	24.9
161.13271	24.3
163.06026	7.6
163.14841	7.0
169.10106	5.2
171.11690	15.0
173.13271	17.8
175.14818	13.3
177.12755	4.7
183.11676	6.0
185.13261	13.8
187.14861	5.5
197.13313	5.2
199.14775	7.8
201.16335	3.3
213.16447	3.8
231.21091	4.1
239.18050	3.5
241.06195	2.5
241.19507	25.0
243.21068	6.8
251.61729	2.9
257.19009	11.6
259.20593	61.6
261.22113	10.9
290.08954	2.6
315.23074	6.7
333.24225	50.2
334.24414	2.9
335.25815	100.0
336.26178	3.5
337.27267	5.9
351.25580	3.9
367.22476	4.4
405.05457	2.7
428.60196	2.7
441.26874	3.4
519.41864	9.4
529.38708	3.2
537.52039	3.2
593.45496	14.7
611.46735	84.4
612.47046	3.4
701.47449	6.7
737.49432	4.5
755.50482	3.9
970.55524	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	970.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	25.3
71.04983	3.9
73.02908	7.4
75.24849	2.7
79.05495	73.3
81.03407	3.9
81.06591	4.6
81.07061	79.8
83.04988	3.6
83.08625	13.1
85.02906	17.7
91.03969	15.5
91.05486	80.6
93.06488	5.3
93.07052	91.2
95.04958	6.1
95.08615	70.0
97.02902	11.4
97.06516	6.0
97.10165	5.5
99.08059	4.1
105.04521	2.9
105.07036	76.6
107.08598	44.8
109.10165	30.2
115.05357	3.5
117.07014	27.0
119.08588	57.7
121.10149	41.1
123.11697	5.8
127.03881	5.2
129.06949	16.1
131.08571	38.9
133.10144	51.9
135.08096	3.9
135.11696	32.8
135.46214	2.8
137.09644	4.4
137.13219	3.5
141.51839	2.9
143.08560	16.2
145.04936	5.2
145.10146	36.5
147.11719	44.6
148.33046	2.9
149.09619	3.3
149.13232	19.1
155.08508	3.1
157.10170	18.3
159.11699	30.3
161.13254	39.9
163.06056	10.3
163.11171	5.0
169.10188	3.6
171.11688	17.0
173.13261	21.9
174.96155	3.1
175.14812	12.8
183.11780	4.1
185.13263	11.6
187.14827	8.3
197.13290	4.9
199.14929	6.9
213.16417	4.1
215.27081	3.0
229.19530	3.5
231.21040	6.6
241.19543	31.5
257.18997	11.6
259.20587	85.1
261.22162	13.5
263.23624	3.5
277.21759	3.4
315.23178	6.4
331.22852	5.6
333.24277	62.0
335.25827	95.4
336.17267	3.1
337.27301	6.5
349.56522	3.2
367.23041	5.1
519.41846	12.3
551.14557	2.9
593.45599	21.1
611.46704	100.0
612.47040	5.4
701.47601	4.8
737.48895	3.5
755.49744	3.4
762.23291	2.9
944.14740	3.1
970.55847	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	980.6161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	4.2
69.06727	1.4
69.07072	17.5
71.04984	1.9
71.08242	1.0
71.08633	17.4
73.02924	2.0
79.05494	30.6
81.03419	8.1
81.07059	61.1
83.04988	9.3
83.08153	1.4
83.08621	18.8
84.08142	1.1
85.02903	10.3
85.06530	2.4
85.09737	0.9
85.10188	11.9
89.06034	1.9
91.03960	2.2
91.05483	18.2
93.07048	26.0
95.04966	14.4
95.08610	27.3
97.02901	5.6
97.06541	9.6
97.09547	1.6
97.10171	26.0
99.04447	2.4
99.08087	4.6
103.05455	2.0
103.07574	0.9
105.07024	17.1
107.04964	8.8
107.08591	15.1
109.02899	1.6
109.06532	9.6
109.10152	15.0
111.04456	10.9
111.08079	6.4
115.05458	1.2
117.07029	8.6
119.04943	1.1
119.08578	17.7
121.06522	6.2
121.10147	12.5
123.08072	19.0
123.11701	3.8
125.09634	18.2
127.03899	2.9
128.06229	2.3
129.07004	5.4
131.08563	12.0
133.06485	2.8
133.10143	8.8
135.08089	6.0
135.11688	8.1
137.09615	4.8
137.13263	1.3
139.11150	1.9
143.08534	4.6
145.06467	2.2
145.10123	12.2
147.08041	9.4
147.11713	4.7
149.09628	7.4
149.13278	1.8
153.09074	2.9
153.12750	4.9
155.08609	2.0
157.10101	4.4
159.08055	2.4
159.11676	6.0
161.09648	8.3
161.13235	1.7
163.11185	15.0
165.09152	4.6
169.10088	1.4
171.11674	2.9
173.09639	2.4
173.13211	1.4
175.11163	5.1
177.12714	3.3
181.12254	6.0
185.09607	1.9
185.13289	1.8
187.59602	1.0
189.11235	13.2
189.12782	1.9
191.10631	4.3
193.12218	4.0
195.11760	1.1
199.14740	1.4
203.14589	1.2
205.12207	1.4
209.11757	1.0
217.15834	1.0
223.13237	4.3
227.12772	21.1
227.17957	2.5
239.23727	2.3
245.19020	3.3
249.14871	1.8
255.17438	2.9
263.20096	1.2
267.15903	1.3
269.17422	1.2
273.18503	36.3
283.15372	2.1
288.23288	1.1
291.19547	75.0
292.19849	1.7
309.20566	13.8
313.27377	100.0
314.27637	3.0
329.21078	1.6
347.22168	9.8
349.23392	1.1
365.23248	44.6
383.24359	28.0
467.36960	1.0
483.36639	2.2
505.38434	1.9
507.40314	4.7
521.38074	1.2
539.39661	1.6
575.46478	1.3
585.45282	6.4
603.46222	70.1
604.46643	2.9
621.47290	62.7
622.47162	3.2
765.51343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.4
69.03448	2.3
69.07074	0.5
71.04974	0.6
71.08642	1.0
71.51452	0.6
73.02914	2.2
78.51096	0.4
79.05502	2.0
81.03437	1.5
81.07076	2.9
83.08614	0.6
85.02908	3.6
85.10198	0.5
91.03960	2.3
91.05512	1.2
93.07066	1.2
95.08620	1.4
97.02898	4.1
99.04469	0.5
101.02403	1.5
105.07022	0.7
107.08633	1.1
109.02895	0.6
109.10184	0.6
117.06998	0.5
119.08598	0.8
127.03939	1.5
133.10176	0.5
133.86716	0.4
135.11732	0.5
139.84750	0.4
174.81868	0.4
185.04143	0.5
203.05322	0.9
228.73688	0.5
243.08432	2.5
303.97214	0.4
333.20560	1.5
341.56082	0.4
347.09698	1.5
363.09100	1.0
365.10748	0.7
405.13708	4.2
407.00656	0.5
435.07440	0.4
439.19363	1.0
453.21115	1.0
475.95044	0.5
477.50583	0.4
497.30881	3.9
551.28381	4.6
573.17236	0.5
601.24542	0.6
615.26233	0.6
659.35986	3.5
669.34320	0.5
669.45215	0.4
713.33630	4.4
763.30963	0.5
807.52795	1.4
969.57635	100.0
970.57971	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	965.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	46.1
69.03428	7.7
69.07063	13.4
71.04978	3.3
73.02921	5.2
77.03942	1.8
79.05494	41.7
81.03418	9.3
81.07058	42.6
83.04971	5.0
83.08611	5.9
85.02905	13.9
85.06535	7.9
91.03975	6.4
91.05482	43.2
93.07042	41.5
93.59727	1.4
95.01323	2.5
95.04975	38.5
95.08610	32.8
97.02898	9.3
97.06532	7.2
97.10155	2.3
97.97698	1.3
102.03439	1.4
103.05431	2.0
105.07037	42.1
107.04964	15.1
107.08588	21.3
109.02898	1.7
109.06520	36.4
109.10155	10.2
111.08064	2.6
113.06005	19.0
115.05464	3.3
116.06211	2.3
117.07021	22.5
119.08593	24.8
121.06511	4.8
121.10152	12.1
123.04421	1.8
123.08084	7.3
123.11688	2.4
125.09634	2.7
127.03882	2.7
128.06180	3.7
129.07031	11.1
130.07753	2.1
131.05022	1.4
131.08571	31.8
133.06500	3.5
133.10141	18.6
135.08063	26.8
135.11691	13.8
137.09648	1.9
141.06973	5.5
142.07756	1.9
143.08556	17.6
145.05005	1.5
145.06464	5.8
145.10130	21.2
147.08014	4.3
147.11699	13.2
149.09633	3.2
149.13240	5.9
153.07019	1.5
155.08533	4.7
156.09308	1.3
157.10124	12.6
159.08035	6.4
159.11700	21.2
161.09613	7.2
161.13254	6.1
163.11201	4.0
167.08537	2.0
168.09375	1.7
169.10127	7.5
171.07985	1.7
171.11658	11.8
173.13292	8.1
175.11148	2.4
175.14879	2.5
177.12755	6.7
179.08493	1.7
179.14223	1.8
181.10078	3.9
183.11652	4.4
185.09564	1.7
185.13248	6.5
187.11157	4.1
187.14799	2.6
189.12717	1.8
195.11679	4.1
195.13658	1.8
197.13310	3.1
199.14824	6.0
201.12885	1.5
203.14278	1.9
205.12410	1.9
207.11673	2.2
209.13292	3.9
211.14903	1.8
213.12613	1.7
213.16331	2.3
215.14478	1.6
217.15875	9.0
221.13287	2.2
225.16409	2.1
237.16405	1.8
241.19521	3.5
255.17319	1.8
257.19022	2.9
259.20575	8.9
273.18497	16.4
275.20154	2.4
277.21686	1.8
279.15878	18.3
279.81952	1.5
291.19550	36.9
297.16876	2.3
315.23248	3.8
325.25317	1.9
327.26733	5.9
333.24268	19.4
347.22287	5.9
349.23657	2.9
365.23178	10.5
449.29642	1.3
496.76248	1.4
513.36847	3.6
525.35583	1.7
531.38159	4.1
543.36432	5.5
549.39380	2.6
554.35876	1.4
565.38599	4.4
567.39569	2.6
605.42114	16.4
623.43085	100.0
624.43378	6.4
630.65057	1.6
641.44092	73.7
642.44025	5.9
785.48340	2.1
803.48499	4.4
852.06006	1.4
965.50812	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	964.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	44.2
69.03429	9.5
69.06731	1.7
69.07072	23.0
70.06580	0.9
71.04981	4.3
71.08634	30.2
71.51484	1.0
73.02908	5.1
79.05495	38.2
81.03421	10.7
81.07057	57.1
83.04989	9.5
83.08133	1.7
83.08613	16.9
85.02908	22.6
85.06534	3.2
85.10179	17.2
87.04504	1.3
89.06022	2.9
91.03957	9.6
91.05482	43.5
93.07045	39.1
95.04980	6.8
95.08607	46.0
97.02895	15.1
97.06538	8.0
97.10178	9.0
98.09727	1.8
99.04472	2.1
99.08102	3.5
99.11750	1.1
103.05486	2.0
103.07568	1.3
105.04545	1.6
105.07031	45.5
107.04961	3.6
107.08592	25.2
109.02873	2.4
109.06521	3.8
109.09473	1.4
109.10157	18.4
111.04427	1.7
111.08070	4.1
113.09686	1.3
115.05461	2.1
116.07076	1.5
117.07015	13.9
119.08585	33.7
121.06497	3.4
121.09313	1.5
121.10143	15.8
123.04400	1.1
123.08066	4.1
123.11694	6.8
125.09621	2.7
127.03934	7.1
128.06210	2.1
129.05487	4.0
129.06985	7.7
131.08557	17.6
133.10133	29.8
135.08089	4.7
135.11691	10.5
137.09630	2.1
137.13229	1.9
139.11200	1.7
141.07024	1.7
143.08566	5.9
145.04962	7.8
145.06122	1.0
145.10117	15.7
147.08060	1.2
147.11696	24.4
149.09605	7.7
149.13271	13.1
151.11186	1.0
155.08589	1.5
157.10161	4.0
159.11674	14.5
161.09610	1.9
161.13254	14.4
163.06018	3.9
163.11270	4.8
163.14799	1.4
165.09207	1.3
169.10072	1.5
171.11691	8.9
173.04503	1.1
173.13255	7.4
175.13486	0.9
175.14774	5.1
177.12756	4.1
185.13275	6.6
187.14859	1.9
189.12787	1.6
189.16364	1.3
191.14359	1.2
195.13783	4.3
199.14879	2.4
211.14832	1.2
213.16472	1.1
217.15868	1.4
227.12697	1.5
229.19656	1.2
231.21162	4.5
239.18095	2.4
239.23647	4.7
241.17249	1.5
241.19551	18.5
243.12105	2.0
257.19037	5.1
257.24710	1.9
259.20578	54.3
269.17493	21.0
275.20056	12.7
277.21835	1.2
281.17621	2.5
293.17508	1.2
293.20908	1.9
303.16110	1.2
309.27823	1.2
313.27368	100.0
314.27707	3.9
315.23114	2.6
333.24231	33.1
349.23889	10.2
351.25162	1.3
413.21475	1.4
422.58981	0.9
493.38736	1.4
507.40466	41.4
508.40546	2.2
519.40356	2.3
531.40717	1.0
571.47168	8.3
587.46661	9.7
589.48285	29.1
590.48486	1.4
605.47644	2.0
679.49292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	44.9
69.03446	6.4
69.07072	21.9
69.31672	3.1
69.32080	5.8
71.01350	1.2
71.04977	3.2
71.08640	25.9
73.02914	4.4
79.05498	31.1
80.28715	1.0
81.03433	8.6
81.07063	56.8
83.04994	7.6
83.08620	15.1
83.75539	0.9
85.02511	1.1
85.02911	12.0
85.06537	3.4
85.10188	15.8
89.06032	1.9
91.03943	3.9
91.05487	27.7
93.06491	2.0
93.07051	34.6
93.07637	2.1
95.04967	7.1
95.08614	34.8
97.02901	8.1
97.06531	9.7
97.10173	7.8
98.21526	1.8
99.04454	1.9
99.08107	2.4
103.05470	1.6
105.04499	1.1
105.07034	21.1
107.04954	6.2
107.08596	23.7
109.02885	2.5
109.06514	4.6
109.10165	16.3
111.04467	1.6
111.08067	4.4
111.11670	2.1
115.05443	1.6
117.07036	10.8
119.08587	18.3
119.45934	1.0
121.06474	3.7
121.10170	11.7
123.08076	4.1
123.11713	6.8
125.09636	3.0
127.03923	4.9
129.05487	2.7
129.07028	3.2
131.04929	1.2
131.08585	13.4
133.06519	1.3
133.10143	16.1
135.08055	3.4
135.11697	10.8
137.09604	2.2
137.13266	1.7
141.06995	2.6
142.07820	1.1
143.08578	2.5
144.09340	1.2
145.04941	2.7
145.10135	12.1
147.08073	1.4
147.11699	8.5
149.09657	8.7
149.13277	10.1
157.10089	2.7
159.11717	9.5
161.13223	2.3
163.06013	1.8
163.11243	5.7
169.10104	1.7
171.11678	2.2
173.04453	1.9
173.13245	3.5
177.12735	3.7
179.14230	2.1
181.12228	1.3
183.11691	1.1
195.13802	4.4
199.14819	1.4
206.22147	1.2
217.15886	1.9
227.12839	2.9
229.19592	1.4
239.17964	1.2
239.23700	3.6
247.20622	2.2
251.16547	1.2
255.15926	15.5
257.19031	9.3
257.24841	2.5
267.16000	2.3
269.17493	41.0
270.17825	1.4
275.16946	1.3
275.20059	27.1
291.19653	1.5
293.21207	2.5
313.27380	98.0
314.27664	1.4
331.22699	3.1
335.24356	1.0
339.17883	2.7
349.23746	32.5
367.24808	3.8
413.21713	2.5
467.37140	1.6
483.36551	1.6
493.38968	22.3
507.40515	100.0
508.40756	3.5
524.51025	1.2
547.43469	4.0
569.44977	1.2
587.46765	40.6
588.46765	2.4
605.47668	11.8
651.44592	4.2
731.50983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	35.6
69.03432	5.5
69.07073	22.3
69.17590	6.3
69.18002	1.2
71.01368	0.7
71.04982	3.2
71.08632	19.2
72.55749	0.8
73.02915	1.7
79.05496	31.4
81.03429	6.2
81.07059	45.0
83.04984	5.3
83.08624	16.6
85.02912	11.4
85.06525	2.5
85.10179	13.2
89.06026	1.4
91.03962	3.8
91.05488	23.3
93.07045	26.3
95.04975	8.1
95.08611	32.1
97.02901	7.0
97.06534	7.6
97.10176	15.2
98.21570	1.2
99.04439	2.5
99.08097	1.8
102.77337	0.7
103.05472	0.9
103.07591	1.1
105.04505	0.9
105.07037	20.0
107.04958	6.3
107.07874	1.3
107.08598	24.4
109.02864	1.8
109.06497	2.6
109.10160	15.3
111.08057	2.7
111.11726	1.5
115.05423	0.9
117.07025	10.6
119.08582	15.2
121.06496	3.1
121.10156	10.4
123.08048	2.5
123.11733	4.1
125.09634	11.7
125.10472	1.4
127.03922	3.1
129.06993	3.5
130.07794	1.1
131.08574	12.2
133.06445	0.9
133.10141	14.2
135.08025	3.0
135.11708	7.8
137.09633	2.1
137.13284	1.2
139.11176	1.0
141.07004	1.5
142.07726	1.0
143.08545	4.1
145.04956	2.8
145.10127	14.5
147.08060	1.1
147.11694	7.7
149.09618	9.0
149.13313	4.2
151.11124	1.4
153.09149	0.9
155.08578	2.0
157.10193	4.1
159.11705	8.8
161.13264	2.8
163.05992	1.3
163.11191	6.0
165.09138	0.8
165.12717	1.5
168.09309	0.9
168.23703	0.8
169.10135	2.4
171.11758	1.7
173.09615	1.1
173.13220	3.9
177.12735	2.2
179.14333	2.3
181.12256	1.7
183.11725	1.9
185.13222	1.5
187.11192	1.3
189.11203	5.3
189.16530	1.0
195.13824	2.5
197.13208	1.7
199.14955	1.4
201.12810	0.9
205.12227	1.0
215.17783	0.9
217.15926	2.6
219.13771	1.1
223.13263	1.5
227.12782	23.3
229.14270	3.6
229.19591	1.9
233.15427	1.0
235.16826	1.0
239.17982	3.9
239.23567	3.9
245.13795	1.0
247.20634	1.8
255.15892	7.5
257.19025	9.4
257.24716	2.1
267.15939	1.8
269.17499	19.4
275.20074	36.1
291.19705	1.9
293.21127	4.0
309.20621	1.2
313.27368	100.0
314.27689	3.5
331.22589	5.3
349.23730	44.6
350.24069	1.2
365.21457	0.9
367.24792	5.5
377.02496	0.8
389.17984	2.1
409.33188	1.3
467.37326	3.1
483.36777	5.4
491.40970	2.8
493.38867	11.6
494.38834	0.9
507.40491	33.4
508.40942	1.5
547.43268	3.0
560.21161	0.8
569.45660	1.3
587.46692	67.4
588.46899	3.4
605.47894	16.2
606.47894	1.0
627.40930	1.0
731.50946	1.2
749.51532	1.9
898.62134	0.9
904.91144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	43.5
69.03435	6.7
69.07072	29.9
69.16451	8.2
71.01351	0.7
71.04998	3.7
71.08639	25.4
71.46004	0.7
73.02906	2.9
79.05499	38.3
81.03439	6.4
81.07062	45.1
81.56787	0.8
83.04992	6.2
83.08156	1.1
83.08625	17.9
83.09093	0.7
85.02914	9.4
85.06538	2.4
85.10187	17.2
89.06019	2.0
91.03951	3.6
91.05486	27.3
93.06484	1.9
93.07047	28.7
93.08828	0.8
95.01313	1.2
95.04958	6.3
95.08611	40.8
97.02913	6.0
97.06528	11.8
97.10175	21.9
98.21549	1.9
99.04436	1.4
99.08092	1.3
105.07039	28.1
106.07363	0.8
107.04961	7.3
107.08601	37.3
109.02865	2.6
109.06528	4.1
109.10159	23.3
111.04412	1.4
111.08084	3.4
113.09610	1.1
115.05468	1.4
117.07023	12.3
119.08585	18.7
121.06512	2.6
121.10151	10.6
123.08073	2.3
123.11700	5.0
125.09637	17.2
127.03898	4.8
129.05484	1.2
129.07021	2.7
130.07787	1.1
130.08636	1.0
131.08591	13.1
133.06496	1.5
133.10136	17.6
135.08040	3.4
135.11713	7.6
137.09613	2.0
137.13272	2.0
141.06934	1.5
143.08585	4.7
143.10594	1.2
144.09279	1.0
145.04997	2.3
145.10136	19.4
147.08052	0.9
147.11693	10.4
149.09636	14.8
149.13239	3.2
151.11137	1.6
153.09073	1.7
155.08592	2.3
157.06520	0.9
157.10132	3.0
159.11716	9.5
160.12386	0.9
161.09659	1.4
161.13286	5.6
163.11176	6.3
163.14796	0.9
165.12810	1.1
168.09335	1.0
169.10120	2.0
171.10164	2.5
171.11678	3.8
173.04491	1.2
173.11806	1.2
173.13254	4.3
174.08029	0.8
175.11215	1.0
177.12711	2.5
179.12883	0.8
179.14336	3.3
181.12189	1.0
183.11711	2.8
185.13214	1.6
187.11102	1.9
189.11247	10.0
195.13771	1.4
197.13197	1.3
227.12802	47.5
229.14333	7.3
229.19444	2.5
239.17957	3.8
239.23711	3.2
245.13930	1.4
247.20496	2.3
255.15776	1.8
257.19058	12.3
257.24744	3.0
269.17618	5.9
275.20081	45.5
276.20486	1.0
293.21103	3.2
313.27380	100.0
314.27737	3.3
321.24109	1.0
331.22751	6.8
349.23746	56.5
350.24411	2.0
367.24866	1.2
389.17883	2.9
409.33060	1.6
413.21649	1.6
465.21216	0.8
467.37302	4.4
483.36722	4.6
491.40891	3.7
493.38892	6.5
507.40472	28.9
508.40649	1.9
511.29263	1.4
539.61310	0.9
569.45660	2.3
587.46759	85.4
588.46808	5.0
605.48016	9.5
606.48047	1.1
627.40533	1.4
651.43524	1.9
749.51886	1.6
843.29419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.0
68.79359	0.9
68.99792	9.5
69.03422	1.4
79.05496	3.1
81.03415	3.9
85.02898	1.7
89.03931	3.2
91.05485	2.8
93.03423	7.7
95.04952	3.9
97.06512	2.1
101.20639	1.2
103.05461	3.1
105.03399	1.1
105.07061	2.0
105.66510	1.1
107.04961	6.9
109.02888	2.3
111.00819	5.2
111.04452	24.4
115.05448	2.5
117.03429	1.5
117.07043	2.2
119.04969	1.3
121.02839	2.6
123.04437	64.7
124.04768	1.2
127.03928	46.2
128.04225	1.6
128.06221	2.3
129.07031	2.8
131.04912	4.6
133.06502	2.5
135.04430	82.4
137.02365	5.4
137.06003	1.8
139.03912	100.0
141.06967	1.8
143.04919	1.4
143.08569	2.4
145.06465	2.8
147.04410	9.8
149.02345	6.4
149.05962	5.5
150.03085	1.7
151.02745	2.2
151.03920	37.4
153.01787	4.7
153.05515	1.3
155.03384	2.4
155.04924	2.5
155.06078	1.2
155.08629	2.3
157.06522	3.9
159.04465	3.5
159.08072	1.3
160.05179	4.9
161.05986	17.6
163.03920	49.2
164.04285	1.1
165.05486	5.8
165.06776	1.2
167.03403	6.5
167.08537	1.5
169.06483	2.9
171.08092	3.4
173.05998	6.6
173.09575	2.1
175.03978	3.4
175.07535	5.6
177.05505	7.5
177.09138	1.1
179.03421	14.4
181.05026	2.2
181.06503	1.8
183.04419	3.1
183.08061	2.1
185.06027	3.7
185.09531	1.4
187.03923	5.7
187.07538	4.5
189.05466	4.6
189.09106	17.8
191.03407	8.8
191.07034	1.5
191.10709	2.0
193.04958	3.3
195.08138	1.8
197.05994	3.8
199.07578	2.9
200.04712	1.2
201.05470	8.4
201.09148	9.3
203.03391	8.5
203.07018	2.8
203.10663	1.3
205.04959	2.9
205.08644	4.3
207.06451	1.2
211.07573	1.5
213.05486	4.8
213.09113	6.1
215.03528	2.2
215.06993	5.5
217.04945	4.4
217.08617	7.0
219.10161	7.6
223.09624	1.2
225.05492	3.8
229.04953	14.6
229.08609	2.0
231.06503	6.5
231.10164	2.6
233.04385	5.2
237.09171	1.2
237.49451	1.3
239.07274	1.3
241.04900	3.0
241.08571	5.6
243.06589	4.3
243.11513	1.1
245.04480	20.9
247.06029	36.5
253.05005	3.1
255.06441	2.4
257.04449	17.0
258.05142	2.3
259.06000	9.1
259.09735	2.2
261.07535	8.1
265.08701	1.4
267.06555	1.7
269.04358	5.1
270.05215	1.5
271.06018	37.4
272.06400	2.0
273.03964	1.3
275.05539	11.1
279.06494	1.2
281.04559	2.4
283.06064	6.6
285.03992	1.1
287.05496	17.4
288.05804	1.2
289.07098	34.5
291.08688	9.3
293.08167	1.2
295.05978	4.0
297.03961	2.3
297.07376	1.9
299.05560	6.9
299.08600	1.2
301.07022	7.9
303.05319	1.3
303.08734	3.6
307.05963	1.6
309.03940	1.7
309.07596	1.6
311.05551	2.7
313.11343	1.1
317.06668	1.9
323.05560	2.0
323.09113	1.7
325.07349	1.3
325.10721	5.0
331.09067	1.2
339.12274	2.1
343.11932	9.9
349.10648	2.9
351.05069	2.8
351.12192	2.6
355.11777	4.4
361.10880	1.6
367.11774	17.8
368.12091	1.4
377.06335	1.6
379.11780	8.3
385.12790	5.8
391.07883	2.3
393.06049	4.0
397.12955	15.2
405.06146	3.3
407.07523	3.8
409.09052	12.1
419.07739	3.4
427.10251	13.5
433.09448	2.1
451.10455	1.5
461.12970	1.3
469.12009	1.1
485.12036	1.7
487.13766	2.1
503.13434	3.5
505.14975	10.6
515.13403	1.2
523.15936	5.4
527.09393	3.8
531.16217	2.3
545.10675	3.7
553.11725	1.4
637.16730	1.9
641.16974	1.8
657.19708	1.3
679.14740	1.5
697.15924	1.7
775.19409	1.3
793.20398	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04765	1.1
67.05177	5.5
67.05468	17.9
69.03434	5.0
69.07072	19.2
71.04963	1.0
71.08632	13.7
73.02901	1.0
74.68660	0.4
75.04455	0.4
79.05495	12.4
81.02995	0.5
81.03413	4.3
81.07058	17.9
83.04978	2.5
83.08623	10.3
85.02903	3.7
85.06542	0.7
85.09735	0.7
85.10181	7.7
89.05988	1.1
91.03970	2.1
91.05482	9.1
93.07047	9.3
95.04465	0.5
95.04965	5.2
95.08608	14.8
96.04504	0.5
97.02322	0.6
97.02897	8.6
97.06496	1.7
97.10175	10.7
98.20744	1.2
99.04437	0.7
105.03526	0.4
105.04526	0.4
105.06383	0.7
105.07030	7.0
107.04951	4.4
107.07903	0.5
107.08593	7.3
109.06470	1.5
109.09471	0.6
109.10157	8.6
111.04419	0.8
111.08044	1.5
111.11671	0.7
117.07014	4.3
119.04936	0.9
119.07813	0.6
119.08584	7.2
121.06467	1.8
121.10133	3.1
123.04469	0.4
123.08012	1.7
123.11694	2.4
125.09628	6.2
127.03912	1.0
128.06216	1.0
129.06967	2.0
131.08569	5.3
133.06506	2.2
133.10123	3.3
135.08078	2.7
135.11652	1.6
137.09602	1.4
143.08542	2.5
145.04973	0.8
145.10133	4.6
147.08090	3.5
147.11667	1.8
149.09569	1.5
149.13237	1.5
151.11124	0.6
153.09097	0.6
157.10110	2.0
159.08054	0.6
159.11702	2.0
161.09616	2.2
161.13275	0.6
162.10303	0.8
163.06029	0.6
163.11246	0.7
165.09099	0.9
169.12141	0.6
171.10179	0.6
171.11636	1.4
173.13298	0.5
174.78560	0.5
175.11134	1.2
177.12833	0.7
182.43002	0.4
185.09618	0.5
189.11263	2.7
193.12256	1.5
195.13824	0.6
205.12256	1.9
208.49883	0.5
211.13316	0.6
223.13297	15.5
227.12758	3.6
233.15285	0.5
239.23689	2.0
245.18954	0.8
249.14880	2.7
257.24805	1.4
267.15915	1.4
267.42804	0.5
273.15494	0.7
273.18491	12.4
274.18640	0.6
291.19550	80.7
292.19916	1.8
306.30405	0.5
309.20709	1.0
313.27377	73.6
314.27777	1.6
347.22180	2.8
365.23245	67.8
366.23511	2.1
429.21548	0.9
450.37875	0.5
483.37143	0.9
505.38498	1.2
523.39996	5.9
527.28510	0.5
585.45160	1.7
603.46216	100.0
604.46619	5.3
621.47723	0.6
667.44720	0.6
822.23492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04766	1.2
67.05182	5.4
67.05472	22.3
69.03433	7.0
69.07074	21.0
69.07435	0.6
69.49055	3.2
71.04964	2.0
71.08638	15.8
73.02901	1.1
79.05497	17.6
81.03419	4.7
81.07063	21.7
83.04990	2.7
83.08159	0.7
83.08620	12.2
85.02911	5.3
85.06519	0.9
85.09746	0.6
85.10186	8.7
89.06009	1.1
91.03963	2.6
91.04916	0.7
91.05481	11.4
93.06490	0.6
93.07048	11.6
95.01311	0.6
95.04987	6.1
95.08614	18.8
97.02901	10.8
97.06550	2.3
97.10173	12.2
99.11707	0.6
103.07555	0.8
105.07038	9.1
107.04961	4.7
107.08599	9.3
109.02872	0.9
109.06488	2.0
109.09504	0.8
109.10167	11.5
111.04449	0.7
111.08045	1.6
111.11677	0.6
115.05439	1.0
117.06264	0.4
117.07034	6.6
118.17159	0.5
119.04953	1.1
119.07796	0.7
119.08592	8.8
120.05724	0.4
121.06530	3.0
121.10160	3.2
123.08059	2.6
123.11692	2.0
125.09634	8.0
125.10509	0.4
127.03886	1.1
128.06210	0.5
129.07018	2.9
131.08583	6.6
132.05690	0.5
133.06483	2.5
133.10129	3.7
134.07227	1.0
135.08089	2.9
135.11662	1.8
137.09596	1.7
137.13245	0.9
143.08575	2.8
145.04941	0.8
145.06523	0.6
145.10139	3.9
147.08038	5.3
147.11691	2.3
147.12677	0.5
149.09586	1.1
149.13228	1.9
151.14861	0.5
153.09073	0.9
153.12679	0.6
157.10150	2.5
159.11673	2.2
161.09575	2.4
162.10387	0.8
163.05995	0.9
163.11179	1.9
165.09097	1.6
169.10155	0.7
171.10178	0.8
171.11613	0.8
173.09648	0.6
173.13248	0.5
175.11180	1.6
177.12708	1.1
179.10698	0.6
185.13254	0.5
189.11261	3.1
189.12663	0.7
193.12238	1.1
195.13792	0.7
203.10762	0.5
205.12294	2.1
211.13203	0.9
223.13306	18.9
227.12793	4.8
227.17839	0.8
233.15282	0.5
239.23775	1.3
245.19070	0.9
249.14865	3.0
255.17558	1.3
257.24796	1.1
263.20117	0.8
267.16046	1.8
273.18521	11.9
291.19562	92.9
292.20001	1.7
313.27380	71.6
314.27716	1.8
347.22360	2.7
354.62814	0.5
365.23254	66.0
366.23688	1.4
429.21384	0.6
435.24213	0.6
505.38519	0.8
523.40082	6.1
585.45056	1.9
603.46222	100.0
604.46643	4.2
621.47119	0.8
667.43622	0.7
684.20819	0.5
749.93250	0.5
765.51019	0.9
781.33881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05177	0.8
67.05512	12.9
69.03433	7.8
69.07076	6.9
71.01363	0.9
71.04997	1.0
71.51135	0.7
73.02924	7.0
77.03957	0.6
79.05497	8.9
81.03413	3.6
81.07063	12.6
83.04971	0.8
83.08622	2.9
85.02912	16.6
85.06556	1.3
87.04484	0.8
91.03954	11.0
91.05480	8.6
93.07040	8.2
95.04985	1.3
95.08616	12.0
97.02897	16.1
97.06559	1.5
97.10178	1.8
99.04465	1.8
101.02404	2.2
103.05453	0.7
105.07024	8.2
107.08587	6.1
109.02838	0.8
109.06558	0.7
109.10162	4.5
115.03944	1.2
115.05447	1.0
117.07028	4.6
119.08592	7.3
120.12238	0.5
121.06532	1.9
121.10154	3.2
123.08021	0.7
123.11689	1.3
125.09655	0.5
127.03909	5.1
128.06238	2.1
129.06995	5.8
130.07843	0.7
131.08575	7.6
133.10150	5.4
135.11726	2.2
137.09616	0.8
137.13284	0.6
139.03816	0.5
141.06967	3.1
142.07761	1.9
143.08565	8.2
145.04982	2.9
145.10121	6.9
147.11697	3.7
149.13310	0.9
153.07066	1.1
154.07735	0.7
155.08562	6.0
156.09364	0.6
157.10143	8.4
159.11720	5.1
161.13280	1.4
163.06084	1.3
165.07063	0.6
166.07838	0.6
167.08546	3.5
168.09297	1.2
169.10138	7.4
170.11012	0.8
171.11702	6.4
173.11909	0.6
173.13248	2.8
179.08582	1.4
180.09363	0.9
181.10127	5.1
182.11000	0.8
183.11711	7.5
185.13225	4.1
187.14873	1.6
189.16443	0.9
193.10138	1.3
194.10944	0.7
195.11702	4.1
196.12331	0.5
197.13229	6.0
199.14856	3.1
201.16429	1.0
205.10211	0.9
207.11729	1.7
209.13280	3.9
210.13849	0.6
211.14856	4.0
213.16489	1.5
219.11684	0.8
221.13326	2.1
223.14856	4.4
225.16354	2.8
227.18018	1.1
233.13255	1.0
235.15042	1.1
237.16478	2.4
239.18001	1.2
245.13087	0.6
247.14954	0.7
249.16457	1.3
251.17963	1.4
253.19498	1.0
263.17926	0.7
265.19565	0.8
277.19620	0.6
290.03775	0.5
321.22211	0.6
327.23471	0.5
335.23959	0.8
337.25409	1.0
349.25299	0.5
351.26395	0.7
363.26828	0.8
365.28506	1.0
377.28625	0.7
391.29865	0.7
393.32068	0.7
435.32455	0.7
475.35516	0.8
503.36929	0.6
513.36926	0.8
529.39105	1.0
536.43915	0.6
543.41992	0.7
545.43512	3.9
553.66095	0.6
555.40643	0.7
563.44604	1.5
567.40302	1.0
569.42450	1.0
595.43829	0.6
601.46161	0.8
619.47229	5.5
635.46484	3.2
637.48297	100.0
638.48553	6.5
639.49695	0.9
649.48022	2.7
655.49518	0.8
661.48083	1.4
673.48132	1.0
679.49426	1.9
727.49158	0.8
745.49915	0.9
758.59857	0.7
763.51208	1.8
781.52954	4.4
799.53552	28.5
800.54114	1.9
907.55548	0.6
961.58911	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.6257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	42.0
69.03419	5.0
69.07066	16.8
69.35143	16.9
71.08633	28.3
72.93386	1.9
73.02885	3.6
79.05494	36.5
81.07056	44.5
83.04977	4.1
83.08617	16.5
85.02916	15.1
85.10200	16.4
90.42928	1.9
91.03970	12.8
91.05477	51.9
93.07045	41.1
95.04956	4.4
95.08610	37.6
97.02892	7.6
97.06540	3.0
97.10176	7.5
99.08091	2.6
102.35881	2.3
105.07029	57.0
107.08595	21.0
107.67682	1.9
109.06499	2.6
109.10161	16.4
117.07040	11.6
119.08592	44.5
121.06490	3.3
121.10163	15.6
123.11737	4.2
127.03861	3.2
129.06984	10.3
131.08562	16.1
133.10138	34.1
135.11679	15.9
135.49590	2.1
137.13187	2.5
143.08530	7.7
145.04987	3.7
145.10149	16.8
147.11703	32.8
149.09648	3.8
149.13222	9.2
154.68352	2.2
157.10110	8.0
159.11691	16.2
161.13252	24.1
163.06044	5.1
171.11627	13.5
173.13280	9.8
175.14825	11.7
185.13226	8.8
199.14844	6.3
213.16339	2.2
231.17223	2.2
231.20995	5.7
239.23746	2.1
241.19519	34.8
257.24713	2.3
259.20581	91.4
276.13593	4.4
291.94370	2.1
313.27362	100.0
314.27676	3.8
315.23199	5.0
320.16171	5.0
333.24252	58.0
433.22244	2.2
480.19571	2.7
571.47217	16.3
589.48291	60.5
590.48370	4.5
679.49017	4.8
697.49927	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	949.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	94.6
69.03440	24.1
69.07079	34.4
71.05002	7.7
73.02918	12.6
79.05497	72.2
79.49731	3.0
81.03432	36.1
81.07064	78.1
83.04981	12.2
83.08620	18.0
85.02919	34.9
85.06517	4.0
91.03958	15.4
91.05488	80.6
93.07049	71.5
95.04980	15.2
95.08619	59.0
97.02902	30.7
97.06537	20.8
97.10183	8.3
99.04449	6.9
99.08135	2.7
101.02423	3.6
105.07039	59.7
107.04958	9.1
107.08610	41.8
109.02898	8.0
109.06516	9.2
109.10165	32.1
109.54467	3.0
111.04448	3.7
111.08083	5.8
117.07038	35.4
119.08592	46.0
121.06531	8.3
121.10131	25.7
123.08058	6.4
123.11687	5.7
125.09650	8.1
127.03927	11.7
128.06200	7.0
129.05441	3.0
129.07010	26.6
130.07809	2.8
131.08574	45.5
133.06490	5.5
133.10139	37.5
135.08084	6.5
135.11725	20.1
137.09624	7.3
141.07024	8.3
142.07814	5.2
143.08568	30.4
145.04988	7.6
145.06480	4.0
145.10141	37.8
147.08028	5.2
147.11720	22.9
149.09619	8.8
149.13268	8.8
153.07011	5.7
154.07727	3.2
155.08562	17.5
157.10147	29.7
159.08038	3.3
159.11697	24.3
159.19395	3.0
161.09500	3.0
161.13272	11.8
163.11244	5.5
163.14703	3.3
165.07159	2.9
167.08575	8.7
169.10127	25.9
171.11682	22.6
173.04485	12.7
173.11890	5.4
173.13284	15.8
175.11142	6.6
177.70164	3.1
179.08562	5.6
181.10147	13.1
182.10985	3.8
183.10353	3.8
183.11728	22.1
185.09583	4.7
185.13277	11.8
187.11131	3.6
187.14864	7.7
189.16396	4.0
193.10086	4.9
193.12202	2.7
195.11772	9.3
197.13281	16.7
199.14818	8.0
207.11691	6.1
209.13206	13.6
211.14850	10.3
213.12726	4.9
213.16344	3.0
216.82797	2.8
219.11693	5.1
221.13394	5.8
223.14870	5.8
225.12799	2.9
225.16487	4.5
227.12666	6.3
227.18019	4.1
229.14206	12.9
235.14960	4.7
241.19572	7.7
255.17390	4.1
257.19086	6.2
259.20624	14.3
267.15677	3.2
267.21201	4.3
269.17496	5.0
271.20248	3.2
275.20078	20.8
285.22171	3.1
295.20508	4.1
301.21509	4.5
327.23398	3.3
333.24182	11.8
335.25983	6.6
337.25250	3.4
349.23843	5.6
379.30191	3.9
435.32736	3.2
471.35043	3.1
487.34232	3.9
489.35672	4.5
500.94812	3.7
513.35736	23.8
515.38123	12.1
527.37482	23.7
545.38287	3.4
551.40356	4.4
555.36517	3.3
597.45068	5.2
607.43695	66.0
608.43921	7.1
623.42834	4.4
625.44708	100.0
626.44910	5.7
635.38696	4.7
649.43774	3.9
653.40033	5.3
671.41388	8.6
689.42065	10.8
715.44141	3.4
733.46265	8.4
751.47021	6.0
769.48468	12.8
787.49786	18.1
949.53741	4.7
955.35632	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	949.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03197	2.1
67.05508	66.2
69.03126	2.0
69.03433	19.6
69.07072	19.9
71.04998	5.4
72.01753	2.0
73.02915	8.6
73.68015	2.1
76.91243	2.0
79.05493	59.9
81.03416	22.6
81.07058	59.8
83.04972	7.8
83.08617	17.0
85.02910	28.0
85.06539	2.4
91.03954	11.6
91.05483	48.3
93.07047	54.4
95.04982	10.8
95.08614	32.7
97.02899	26.0
97.06518	12.8
97.10171	7.3
99.04465	4.4
99.08094	2.2
101.02449	2.9
105.07034	52.8
107.04948	8.7
107.08594	32.8
109.02880	6.0
109.06517	6.6
109.10160	23.7
111.04468	4.9
111.08087	5.6
115.05428	4.7
117.07028	21.3
119.08588	37.0
121.06499	5.8
121.10155	16.3
123.08056	5.7
123.11723	7.5
125.09625	8.1
127.03922	14.5
128.06229	8.2
129.07013	17.2
131.08565	33.8
133.06511	2.2
133.10133	29.7
135.08063	5.1
135.11699	7.0
137.09618	5.1
141.06982	7.7
142.07753	4.1
143.08569	22.2
145.04958	4.0
145.06458	2.7
145.10114	31.9
147.08057	4.7
147.11703	19.8
149.09604	5.1
149.13290	5.5
151.11143	3.3
154.07758	3.1
155.08557	14.0
156.09276	3.0
157.10120	23.4
159.08055	3.0
159.11697	24.3
161.09581	2.8
161.13286	8.5
163.11235	2.4
163.14783	2.9
165.07002	3.2
165.12750	3.1
167.08548	5.3
168.09416	2.3
169.10106	18.1
171.11685	17.5
173.04471	8.3
173.05904	2.2
173.09644	3.6
173.11870	4.6
173.13263	12.4
175.11140	3.1
175.14839	3.9
177.12724	3.7
179.08583	3.4
181.10127	11.3
182.29024	2.2
183.11659	17.6
185.09735	3.9
185.13243	11.4
187.11255	2.8
187.14816	5.0
189.11252	3.5
189.12788	2.7
193.10179	4.5
195.11723	10.5
195.13518	3.3
197.13306	13.8
199.11157	2.8
199.14844	10.7
201.12791	2.3
201.16406	2.2
205.10078	3.8
207.11707	5.4
209.13293	7.0
211.14813	6.1
213.16405	2.9
219.11772	3.0
222.75105	1.9
223.11185	2.6
223.14796	6.7
225.12897	2.4
225.16354	5.9
227.12802	6.3
229.14328	4.0
235.14891	2.9
237.16417	4.2
239.17940	3.2
241.19563	5.8
250.32230	2.4
257.18951	4.2
259.20581	9.4
267.15915	2.5
269.17517	3.6
273.18640	3.5
275.20020	17.9
291.19504	3.3
299.20074	3.6
301.21445	3.2
311.20126	2.2
333.24136	7.3
335.25803	4.5
337.25143	2.9
341.24683	2.2
349.23752	6.9
351.23114	2.7
365.28345	3.2
367.22556	3.7
369.24100	3.2
405.28061	2.1
405.40106	2.9
413.22131	2.9
439.32339	3.0
453.33231	3.1
471.34473	2.6
513.35895	20.7
514.68329	2.2
515.38318	3.9
525.36188	2.3
527.37311	14.9
529.83740	2.5
533.40112	5.0
539.36975	2.6
543.36578	2.4
551.40717	4.0
555.36584	3.1
589.42346	4.3
607.43665	39.1
608.43506	3.0
625.44653	100.0
626.45416	5.0
635.38989	3.5
649.44208	3.2
653.40094	4.3
671.41412	5.6
689.42145	5.5
715.45087	3.5
733.45953	4.0
751.47870	4.5
769.48560	9.6
787.49902	14.2
923.26288	2.5
949.54669	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	945.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04811	2.3
67.05209	3.8
67.05509	37.1
69.07057	4.1
69.25568	4.1
69.25994	6.8
71.08640	9.0
72.42109	1.1
79.05499	19.7
81.07060	20.0
83.04977	1.8
83.08617	5.4
85.06546	10.3
85.10190	7.1
91.05489	19.8
93.07053	14.8
95.04976	46.5
95.08605	17.7
97.06512	3.1
97.10172	2.4
105.07044	16.3
107.04960	8.4
107.08606	10.0
109.06528	45.9
109.07272	2.5
109.10165	4.7
111.08126	1.7
113.06011	20.5
115.05417	2.3
117.07016	7.9
119.08597	7.5
121.06497	8.9
121.10163	3.9
123.08076	1.6
123.11726	1.2
128.06311	1.9
129.07011	4.9
131.08589	13.4
133.06509	2.9
133.10146	7.6
135.08066	38.6
135.11684	4.4
143.08546	7.3
145.10115	7.7
147.08090	5.9
147.11636	2.5
149.09612	4.8
149.13271	1.5
155.08607	1.6
157.10159	5.7
159.08011	2.6
159.11720	4.2
161.09575	5.6
163.11220	2.3
169.10130	1.5
171.11716	3.0
173.13254	2.5
175.11194	2.8
177.05487	2.0
177.12788	3.6
177.56645	1.0
182.28397	1.5
183.11649	1.3
187.11171	1.1
199.11263	1.9
199.14842	3.8
217.15933	10.8
233.15211	1.2
239.23587	2.2
249.37634	1.2
253.26103	1.2
255.17426	3.3
263.20218	1.4
273.18527	35.1
273.96811	1.4
291.19559	91.7
311.86255	1.3
313.27371	49.6
347.22125	12.3
365.23264	18.5
545.41852	3.3
585.45111	22.0
603.46246	100.0
604.46075	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	937.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.1
69.03436	3.7
69.07076	0.7
69.65164	0.2
69.89189	0.3
70.90969	0.6
71.01376	0.6
71.08617	0.5
73.02922	3.3
79.05487	1.3
81.03429	1.9
81.07061	2.6
83.08629	0.4
85.02911	5.7
85.03376	0.5
85.10185	0.4
85.77766	0.3
89.75193	0.3
91.03957	3.3
91.05494	1.0
93.07044	1.7
95.08607	1.9
97.02900	5.3
97.10226	0.3
99.04491	0.9
101.02389	1.7
105.07059	0.5
107.08619	0.9
109.02911	0.9
109.10181	1.0
115.03970	0.4
119.08625	0.5
121.10182	1.0
123.11734	0.3
127.03934	1.3
131.08591	0.4
135.11740	0.3
145.04944	0.3
159.11710	0.3
172.12288	0.3
185.04256	0.6
185.32533	0.3
203.05305	0.7
206.66656	0.3
243.08383	2.2
285.21381	0.3
347.09396	1.7
363.09103	0.4
365.10809	0.9
405.13712	5.4
481.82126	0.3
497.30969	3.1
519.29321	4.9
614.28247	0.3
659.36035	3.8
681.34686	5.9
775.53296	0.8
849.83856	0.4
901.30920	0.3
937.58624	100.0
938.58923	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	935.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	10.2
69.03429	8.6
69.07065	5.5
71.01347	1.2
71.04990	1.4
71.08623	0.8
73.02918	7.3
77.03940	0.3
79.05495	7.9
81.03425	3.9
81.07056	11.4
83.01315	0.7
83.04984	1.3
83.08615	3.6
85.02906	18.6
85.06549	0.8
87.04465	0.6
91.03959	9.6
91.05480	7.4
93.07043	8.5
93.07632	0.4
95.04969	1.4
95.08609	8.7
97.02892	15.3
97.06519	1.0
97.10157	2.1
99.04466	1.4
99.08109	0.5
101.02381	2.4
103.05428	0.3
105.07035	7.7
107.05003	0.4
107.08591	4.5
109.02856	0.8
109.06516	0.7
109.10149	4.3
111.08065	1.0
113.58880	0.3
114.00556	0.3
115.03928	1.5
115.05478	1.0
117.05504	0.3
117.07034	4.0
118.66671	0.3
119.08582	6.3
121.06499	0.5
121.10146	3.6
123.08104	0.8
123.11707	0.9
125.09648	1.1
127.03923	5.0
128.06213	1.5
129.07018	4.9
131.08569	7.7
133.10121	4.7
135.11670	2.2
137.09546	0.3
141.07001	2.1
142.07794	0.9
143.08563	5.7
144.09377	0.4
145.04939	3.0
145.10124	7.6
147.08052	0.3
147.11696	2.5
149.09608	0.5
149.13234	0.8
153.07027	0.5
154.07817	0.4
155.08557	5.0
156.09369	0.8
157.10135	7.3
158.10832	0.4
159.08093	0.4
159.11690	5.7
161.13347	1.6
163.06058	1.0
163.14867	0.8
165.16368	0.5
167.08553	1.6
169.10118	5.3
171.11678	5.6
173.13269	3.2
175.14882	1.2
177.16487	0.5
179.08527	0.9
181.10106	2.6
182.10875	0.4
183.11671	5.2
185.09624	0.4
185.13255	4.3
187.14850	2.0
189.16418	0.9
193.10170	1.0
195.11679	2.9
197.13239	3.7
199.11414	0.4
199.13205	0.5
199.14775	2.7
201.16376	1.5
203.14500	0.4
203.17978	0.4
205.10136	0.5
207.11739	0.7
209.13330	2.1
211.14882	2.5
213.16396	2.4
215.17996	1.1
217.19577	0.4
218.10878	0.4
221.13321	1.4
223.14897	1.5
225.16461	1.8
227.18062	1.7
229.19522	0.7
233.13304	0.5
235.14777	0.7
237.16412	1.0
239.14349	0.4
239.18037	1.1
241.19611	1.4
243.21136	1.0
251.17976	0.6
253.19630	1.2
255.21202	0.9
263.18030	0.4
265.19589	0.8
267.21191	0.6
269.22705	0.5
279.21066	0.7
281.22723	0.8
283.20468	0.4
289.19592	0.3
293.22797	0.4
297.22141	0.6
307.20651	0.4
311.23639	0.6
321.22296	0.5
323.23502	0.4
325.25354	0.5
339.27072	0.6
351.27048	0.6
353.28714	0.5
365.28436	0.5
381.31735	0.4
395.33167	0.6
411.32675	0.5
437.34372	0.4
449.34189	0.7
503.37616	0.5
510.90665	0.3
515.37744	0.6
517.39557	0.4
519.42157	3.5
520.43073	0.5
527.37360	0.8
529.39288	0.6
537.43268	1.9
538.86755	0.4
541.39172	0.8
555.39258	0.4
593.45618	5.1
609.45416	2.7
611.46704	100.0
612.47101	5.6
623.46869	1.8
635.46619	1.4
653.47913	1.3
665.47998	0.4
677.47211	0.6
695.48218	0.4
701.47815	1.0
719.48669	1.3
737.50116	2.0
738.49915	0.4
755.50922	3.0
773.51947	26.7
774.52441	1.8
899.54175	0.5
917.56042	0.5
935.57404	6.0
936.56757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.1
67.05508	14.7
69.03435	9.9
69.07072	6.2
69.92632	1.5
71.01353	1.7
71.04989	1.4
73.02925	9.9
79.05064	0.7
79.05500	9.7
81.03425	4.7
81.06586	0.8
81.07063	14.3
83.04987	1.8
83.08630	3.8
85.02911	21.5
85.06554	0.6
87.04472	0.8
91.03964	11.1
91.05487	9.1
93.07050	10.1
95.04969	1.1
95.08611	11.3
97.02898	18.3
97.06542	1.3
97.10184	2.3
98.20771	0.8
99.04457	2.4
100.76256	0.4
101.02397	2.6
103.05492	1.1
105.04492	0.5
105.07036	8.4
107.04926	0.9
107.08601	6.3
109.02893	1.6
109.06521	0.8
109.10156	5.0
111.08109	0.5
115.03954	1.8
115.05467	1.2
117.07034	4.2
119.08589	8.9
121.10129	4.0
123.08105	0.8
123.11726	1.4
125.09621	0.8
127.03943	5.3
128.06200	1.9
129.05550	0.5
129.07007	6.6
131.08582	6.9
133.10144	5.0
135.11702	2.3
137.13246	0.5
141.06993	3.7
142.07784	1.8
143.08569	8.5
144.09303	0.6
145.04987	2.9
145.10135	7.8
147.11699	3.3
149.13303	1.1
153.07027	1.0
154.07803	0.9
155.08563	8.1
155.09737	0.7
156.09381	1.6
157.10141	9.2
158.10658	0.4
159.11699	6.0
161.13222	2.6
163.06036	1.2
163.14830	0.7
165.06990	0.9
166.07710	0.6
167.08582	4.1
168.09406	1.2
169.10130	9.4
170.10889	0.5
171.11713	6.8
172.12306	0.4
173.13278	4.1
175.14890	0.8
177.16405	0.5
179.08508	2.2
180.09306	0.6
181.10118	5.1
182.10825	1.0
183.10254	0.7
183.11723	8.1
184.12476	0.6
185.09613	0.4
185.13269	4.8
187.14862	2.0
189.16397	0.6
191.08661	0.6
193.10164	2.3
194.10854	0.8
195.11720	6.2
196.12505	0.8
197.13243	7.1
198.14012	0.5
199.14877	4.0
201.16441	1.2
205.10248	0.9
206.11008	0.6
207.11771	2.7
208.12428	0.6
209.13280	5.2
210.13977	0.5
211.14825	5.5
213.12965	0.7
213.16420	2.4
215.17973	0.5
219.11732	1.2
220.12538	0.6
221.13246	3.2
223.14857	3.3
223.16866	0.6
225.16364	3.1
227.18082	2.1
229.47327	0.4
231.11800	0.5
233.13339	0.9
235.14902	1.7
237.16464	2.7
239.17982	1.7
241.19661	1.0
247.14949	1.1
249.16460	1.2
251.18054	1.7
253.19673	1.1
255.21318	0.5
262.16962	0.4
263.18149	0.7
265.19531	1.0
269.18869	0.5
271.20712	0.4
277.19543	1.1
283.20480	0.5
291.20956	0.5
293.18860	0.7
293.22531	0.5
295.24161	0.5
311.20114	0.6
323.23715	1.0
335.23630	0.6
337.25299	1.4
349.21414	0.4
351.26947	1.2
365.28384	1.1
379.26056	0.5
379.30264	0.9
407.29007	0.5
419.29010	0.5
421.31442	0.4
445.30432	0.5
447.32874	0.8
513.36084	0.8
515.37390	0.5
517.40613	3.9
521.36389	0.7
523.37854	0.5
525.35565	0.5
527.37128	0.7
529.40784	0.5
535.41418	2.5
539.37653	2.3
540.38177	0.6
541.39075	0.8
553.39526	0.7
573.42859	1.0
591.43903	4.9
607.43262	2.8
608.44452	0.5
609.45178	100.0
610.45337	6.1
611.47327	0.5
621.45325	1.9
633.45300	1.1
651.45905	1.5
663.46350	0.9
675.46222	0.6
699.46442	0.9
717.47083	1.6
735.48456	2.8
736.68787	0.4
753.49426	2.8
771.50433	25.9
772.50800	1.5
933.55682	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	932.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.2
67.05506	35.1
69.03420	1.7
69.07071	10.6
70.81581	1.2
70.81931	0.7
71.05004	1.0
71.08631	16.7
73.02914	3.9
73.06525	0.6
79.05495	20.1
81.03419	1.3
81.07059	36.5
83.04988	0.9
83.08628	9.2
85.02904	15.1
85.06528	1.1
85.10186	9.8
89.06043	1.6
91.03963	8.8
91.05482	10.5
93.07045	24.6
95.04973	1.5
95.08605	33.9
96.04533	0.8
97.02894	7.4
97.06519	1.1
97.10162	4.1
99.08064	0.6
103.07544	0.6
105.04475	1.1
105.07036	6.9
107.08598	14.7
109.02886	0.6
109.10162	16.5
111.08084	1.0
111.11766	1.1
117.07059	2.9
119.08572	6.4
121.09314	1.1
121.10149	12.2
123.11713	7.2
127.03930	5.0
131.08568	6.6
133.10135	6.3
135.11697	9.2
135.73895	0.5
137.09726	0.5
137.13249	2.6
137.42278	0.7
145.04980	5.1
145.10115	4.5
147.11674	4.5
149.13269	7.2
151.14841	0.9
159.11681	4.4
161.13261	3.5
163.06003	7.3
163.07220	0.8
163.14824	4.1
173.13278	5.4
175.14827	1.9
176.14526	0.6
177.16399	1.5
187.14822	2.6
212.51332	0.6
233.22755	0.8
239.23672	3.8
243.21097	9.0
257.24759	2.3
261.22131	35.7
262.22415	1.4
299.23843	0.6
313.27371	100.0
314.27713	2.5
317.24826	6.8
333.24438	0.7
335.25803	79.6
336.26114	2.7
499.45004	1.4
573.48785	43.4
574.49048	2.4
591.49915	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	932.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	5.6
65.43430	1.0
67.05507	73.5
68.05834	0.9
69.03423	6.7
69.06728	1.7
69.07070	23.5
70.88936	0.9
71.01330	1.5
71.04993	5.0
73.02894	1.8
73.06534	3.4
77.03905	1.9
78.10045	1.2
79.05495	100.0
81.02959	1.1
81.03416	18.9
81.07059	79.9
83.04979	19.3
83.08154	1.4
83.08616	17.1
85.02898	7.6
85.06548	5.4
91.03945	3.0
91.05482	90.4
93.07045	96.6
95.04975	21.6
95.08607	45.1
97.02884	6.8
97.06538	21.1
97.10170	14.3
99.04433	1.9
99.08076	2.8
103.05448	3.0
105.04509	3.7
105.07034	66.3
107.04300	1.5
107.04959	17.4
107.07876	2.3
107.08596	44.6
108.08939	1.6
109.02890	1.2
109.06517	10.9
109.10160	16.5
111.04443	1.5
111.08071	4.4
115.05448	2.7
115.65507	0.9
116.06246	1.2
117.07009	22.2
119.04933	1.3
119.08585	41.8
121.06494	7.2
121.09325	1.3
121.10142	16.8
123.04437	1.2
123.08067	9.1
123.11677	3.1
125.09630	8.6
127.03903	3.5
127.07590	1.6
128.06209	4.6
129.05551	1.3
129.07010	22.9
131.08571	18.8
133.06462	3.1
133.10141	28.7
135.08092	6.0
135.11711	9.9
137.09592	3.4
139.11191	1.3
141.06960	3.4
142.07755	2.0
143.08577	14.8
145.05025	1.7
145.06503	2.3
145.10127	27.9
147.08067	4.7
147.11693	43.3
149.09628	16.2
149.13237	7.1
151.11209	2.4
153.09065	1.5
155.08562	2.3
156.09383	1.3
157.10136	4.9
159.08054	2.2
159.11690	13.0
160.05038	1.6
161.09633	5.3
161.13254	12.7
163.11189	12.5
165.12767	1.2
169.10110	3.9
171.11681	29.4
173.04471	2.4
173.13266	5.3
175.11189	1.4
177.12775	3.0
179.14261	3.1
183.11650	3.1
185.13261	2.4
187.11156	2.5
189.11183	4.4
189.12744	11.5
193.10333	0.9
195.13795	2.5
197.13188	2.3
201.12636	1.3
207.13811	26.2
225.14909	1.7
227.12799	11.7
229.14325	2.2
229.19489	2.0
239.17891	4.7
247.20499	2.5
253.14264	1.9
255.15959	4.0
257.19022	9.5
259.12424	1.0
259.20596	1.6
269.17462	11.1
272.20078	2.4
273.18591	1.6
275.20062	41.4
279.15997	1.4
281.17480	84.7
282.17789	1.3
293.21021	3.1
313.21649	1.4
331.22681	3.0
333.23969	1.2
349.23715	27.2
377.23364	2.2
402.22910	2.3
413.21866	1.5
435.27417	10.5
451.26996	9.8
457.29691	2.4
459.31030	3.4
461.28976	21.9
475.30582	98.9
476.30951	2.7
490.79221	1.1
515.33441	2.2
527.37274	2.4
537.35590	6.1
555.36835	93.7
556.36938	2.6
573.30511	1.1
573.38049	13.9
595.31219	1.4
597.37775	1.5
619.35144	2.8
681.39398	1.6
699.40485	2.2
717.41766	2.4
720.74567	1.1
752.46008	2.0
770.47717	1.5
914.50323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	5.3
67.05507	67.2
67.16116	1.3
67.81686	1.2
69.03436	3.9
69.07074	23.9
69.21858	12.8
71.04984	6.3
73.02920	2.4
73.06560	1.5
74.66712	1.2
77.03921	1.8
79.05496	95.8
80.05849	1.3
81.03431	15.2
81.07060	76.0
82.07394	1.8
83.04977	15.4
83.08617	11.9
85.02924	8.8
85.06554	2.1
91.03961	3.7
91.05483	100.0
93.07047	90.3
93.07934	2.0
95.04971	22.7
95.08613	45.9
97.02902	6.5
97.06541	14.8
97.10178	4.7
99.08127	3.4
103.05495	2.9
105.04504	4.3
105.07034	73.1
107.04955	13.0
107.08593	33.1
109.02916	1.7
109.06517	8.2
109.10162	9.8
111.04437	2.1
111.08096	4.0
115.05458	3.1
117.07026	21.3
119.08588	51.9
121.06525	2.7
121.10149	16.8
123.08057	7.8
123.11726	3.2
124.12080	1.5
125.09608	3.1
127.03864	3.1
127.07594	1.8
128.06232	5.2
129.05554	1.6
129.06999	22.6
130.07762	2.6
130.38963	1.4
131.08577	21.4
131.40021	1.7
133.06491	3.0
133.10136	31.7
135.08043	5.1
135.11681	11.0
137.09579	3.4
141.07100	1.6
141.09145	1.6
143.08569	14.9
145.04951	1.8
145.10130	24.0
147.08047	3.2
147.11697	48.7
149.09647	6.6
149.13280	11.0
151.11201	3.4
155.08524	2.7
157.10146	4.7
159.08167	1.4
159.11682	16.1
160.05043	1.4
161.09612	5.5
161.13260	23.4
163.11169	5.4
167.40671	1.8
169.10135	2.2
171.11693	36.7
173.04562	1.9
173.13269	8.6
175.11179	2.6
175.14825	6.1
177.12733	4.4
179.14339	1.8
183.11667	2.5
185.13278	5.6
187.11108	1.6
187.14835	1.5
189.12761	12.3
195.11832	1.4
195.13792	4.1
197.13307	2.6
199.14847	4.6
207.13791	32.7
209.13379	2.1
227.12860	2.7
231.21056	2.6
239.18019	2.8
241.19505	12.2
243.21135	1.7
257.19070	7.6
259.20605	28.6
269.17480	16.4
275.20081	15.2
279.15982	8.4
281.17493	71.7
282.17807	2.6
293.21002	2.6
315.23303	3.3
331.22827	1.5
333.24301	20.5
349.23730	9.9
365.24838	1.5
390.09637	1.6
435.27524	3.2
447.32437	5.6
465.33929	2.1
475.30576	63.5
475.37460	3.1
476.31052	2.6
483.34955	2.3
521.36151	2.6
539.29309	2.6
539.37329	41.1
539.45331	2.8
540.37512	2.3
555.36761	11.7
557.38367	12.0
573.37836	2.8
649.72583	1.4
701.42877	1.7
761.36896	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	930.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.8
66.84326	0.7
67.05508	58.3
68.18212	0.6
69.03419	3.9
69.07066	7.8
71.04995	5.0
71.08633	20.5
71.51739	0.9
73.02923	2.1
79.05504	5.7
81.03419	4.8
81.07059	21.4
83.04975	2.6
83.08620	13.7
83.09066	1.3
85.02901	7.4
85.06541	3.0
85.10190	10.5
87.04474	41.4
89.06086	0.9
91.03976	3.9
91.05485	4.8
93.07050	3.9
95.04987	1.5
95.08611	19.8
97.02898	5.5
97.06516	1.3
97.10178	10.1
97.70499	0.8
99.04458	7.2
103.07571	1.0
105.07031	1.1
107.04943	1.9
107.08595	4.9
107.09209	0.7
109.06520	0.9
109.10162	53.5
111.04449	1.5
111.08078	2.9
111.11705	1.1
115.41732	0.7
117.07064	0.9
119.08549	4.4
121.10146	0.9
123.11684	2.6
125.09601	6.3
127.03902	1.8
131.08670	0.8
135.11691	1.5
137.09639	2.5
137.13260	1.7
139.16574	0.7
145.04968	2.2
153.12784	0.8
153.23283	0.8
155.10643	4.5
163.06065	1.8
164.24638	0.7
165.93039	0.8
173.04381	0.7
173.11740	15.7
193.12204	0.9
199.13295	6.1
209.11661	0.9
210.68607	0.7
227.12808	1.8
229.14365	55.1
234.81822	0.7
239.23811	3.8
257.13965	2.2
257.24786	1.4
257.53738	0.8
267.15845	3.6
283.15842	0.8
313.27377	65.1
314.27896	1.9
315.17953	8.7
341.26871	6.0
437.36383	3.1
455.37268	8.2
467.37357	100.0
468.37708	5.0
505.38904	2.7
553.40863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.5
67.05509	58.2
69.03438	39.0
69.07076	22.4
71.01365	3.9
71.05003	10.0
71.51690	2.9
73.02935	16.5
75.15401	1.8
79.05500	48.1
79.05961	2.6
81.03431	53.4
81.07065	66.2
83.01346	2.2
83.04997	12.8
83.08626	14.5
85.02434	4.1
85.02915	44.1
87.04452	2.9
89.06008	2.1
91.03950	13.4
91.05491	55.0
92.83025	1.9
93.07053	49.7
95.04968	13.5
95.08620	44.3
97.02898	42.4
97.06535	9.0
97.10209	9.2
98.97542	2.0
99.04465	14.4
101.02389	6.3
103.05480	3.9
105.04566	2.3
105.07039	49.0
107.04978	9.8
107.08610	30.5
109.02888	15.4
109.06509	7.1
109.10166	22.8
111.04455	3.0
115.03930	3.1
115.05448	3.8
117.07040	27.5
119.08588	40.6
121.06513	6.5
121.10179	19.7
123.04471	4.1
123.08059	3.7
123.11756	4.0
125.09632	4.9
127.03930	21.2
128.06224	6.6
129.05475	2.1
129.07011	18.1
130.07802	2.6
131.00259	2.0
131.04967	2.7
131.08585	37.2
133.06531	2.1
133.10144	24.5
135.08047	6.7
135.11751	9.2
137.09605	3.7
141.07005	11.8
142.07780	6.4
143.08582	24.1
145.04953	5.6
145.06494	3.6
145.10141	29.1
147.08084	5.6
147.11714	17.7
149.09624	7.0
149.13269	7.3
149.97162	1.9
151.03938	2.1
153.06984	4.6
154.07770	3.6
155.08580	15.7
157.10165	21.1
159.08040	4.3
159.11723	21.2
161.09637	3.3
161.13286	7.6
163.11177	4.6
163.14879	3.4
165.07022	4.0
167.08572	11.4
168.09271	2.7
169.10141	20.3
171.08078	4.0
171.11707	17.9
173.04465	18.3
173.09663	2.5
173.13245	10.7
175.11168	3.4
175.14879	4.2
177.09221	2.2
177.12749	3.5
178.07826	3.2
179.08569	7.4
180.09399	4.2
181.10110	16.1
182.10927	2.2
183.08008	2.7
183.11679	18.3
185.13353	10.7
187.11195	5.9
187.14864	4.8
191.08537	2.8
193.10138	9.0
195.11699	17.5
197.13228	15.6
199.11140	4.1
199.13158	2.2
199.14851	7.8
201.16368	4.2
205.10139	4.2
207.11765	10.6
209.13297	10.9
211.14862	8.3
213.16435	4.3
215.17953	2.4
219.11755	3.9
221.13263	7.8
223.14841	7.7
225.12692	2.4
225.16380	5.9
229.19675	2.9
233.13239	4.8
235.14946	4.1
237.16336	4.7
239.14261	2.4
239.17981	5.8
245.13359	2.6
247.14928	2.8
249.16527	2.3
251.17839	3.5
257.18988	6.4
259.20624	7.2
263.17975	4.0
269.10699	4.0
273.18680	3.3
275.20227	14.9
277.21713	2.7
283.17355	2.3
283.20416	2.2
285.10175	2.6
299.20355	2.6
313.21667	2.8
315.23230	2.5
318.21860	2.2
337.20862	2.3
349.16757	6.1
349.24078	5.8
363.26526	2.4
365.15433	6.1
367.17908	3.6
367.22119	3.8
367.35901	3.0
368.35657	3.2
393.27512	2.2
454.22195	5.9
487.33997	2.3
499.34140	2.7
503.25720	6.0
513.35590	3.6
515.38635	9.4
525.35150	2.1
527.37769	4.5
533.39807	4.2
551.40759	2.3
589.33124	2.9
589.42578	6.2
595.43719	2.4
597.45319	4.7
605.42029	4.4
607.43665	100.0
608.43970	6.6
620.71082	2.0
625.44989	10.9
715.45642	5.5
733.46564	7.2
751.47583	8.5
769.48828	47.0
770.48907	2.6
797.45642	2.4
895.51349	3.3
913.53467	2.8
931.53314	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	930.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.8
66.84326	0.7
67.05508	58.3
68.18212	0.6
69.03419	3.9
69.07066	7.8
71.04995	5.0
71.08633	20.5
71.51739	0.9
73.02923	2.1
79.05504	5.7
81.03419	4.8
81.07059	21.4
83.04975	2.6
83.08620	13.7
83.09066	1.3
85.02901	7.4
85.06541	3.0
85.10190	10.5
87.04474	41.4
89.06086	0.9
91.03976	3.9
91.05485	4.8
93.07050	3.9
95.04987	1.5
95.08611	19.8
97.02898	5.5
97.06516	1.3
97.10178	10.1
97.70499	0.8
99.04458	7.2
103.07571	1.0
105.07031	1.1
107.04943	1.9
107.08595	4.9
107.09209	0.7
109.06520	0.9
109.10162	53.5
111.04449	1.5
111.08078	2.9
111.11705	1.1
115.41732	0.7
117.07064	0.9
119.08549	4.4
121.10146	0.9
123.11684	2.6
125.09601	6.3
127.03902	1.8
131.08670	0.8
135.11691	1.5
137.09639	2.5
137.13260	1.7
139.16574	0.7
145.04968	2.2
153.12784	0.8
153.23283	0.8
155.10643	4.5
163.06065	1.8
164.24638	0.7
165.93039	0.8
173.04381	0.7
173.11740	15.7
193.12204	0.9
199.13295	6.1
209.11661	0.9
210.68607	0.7
227.12808	1.8
229.14365	55.1
234.81822	0.7
239.23811	3.8
257.13965	2.2
257.24786	1.4
257.53738	0.8
267.15845	3.6
283.15842	0.8
313.27377	65.1
314.27896	1.9
315.17953	8.7
341.26871	6.0
437.36383	3.1
455.37268	8.2
467.37357	100.0
468.37708	5.0
505.38904	2.7
553.40863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5835
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.9
67.05507	53.2
68.04188	2.5
69.03444	16.1
69.07063	22.5
71.04992	4.2
71.08636	24.9
71.24649	2.8
71.50822	4.4
73.02907	9.0
79.05497	51.7
81.03412	12.4
81.07065	49.3
83.04971	10.8
83.08623	24.4
84.08113	3.5
85.02906	33.5
85.10196	14.9
91.03955	7.3
91.05488	42.8
93.07051	42.2
95.04971	9.6
95.08610	40.1
97.02903	26.4
97.06541	28.7
97.10177	21.7
103.05499	4.0
105.04527	2.7
105.07027	33.1
107.04941	14.5
107.08595	40.8
109.02905	4.6
109.06529	6.8
109.10157	29.8
113.05965	3.2
115.05362	2.8
117.07011	13.3
118.60160	2.7
119.08575	28.0
121.06474	6.2
121.10140	12.1
123.08065	3.0
123.11742	7.6
125.09628	24.4
127.03950	6.6
129.07018	4.5
129.56329	2.8
131.08543	21.9
133.10158	18.0
135.08066	8.5
135.11690	5.4
137.09593	2.9
137.13202	3.0
141.06998	3.3
145.04964	5.2
145.06471	4.0
145.10167	18.2
147.11723	13.1
149.09634	21.6
153.09154	3.0
157.10104	4.9
159.07941	3.1
159.11736	12.9
161.09648	4.1
161.13287	5.3
163.11169	9.6
169.12289	2.8
171.10268	3.6
171.11646	3.5
173.13272	5.9
183.11758	4.2
189.11259	11.9
202.68518	2.9
227.12808	71.8
229.14320	4.6
239.17918	3.8
239.23547	4.4
244.74942	2.8
257.19098	13.3
261.15219	3.3
268.29889	3.5
275.20068	69.4
299.19992	4.1
313.27353	100.0
314.27560	3.3
331.22531	3.5
349.23785	53.4
373.23572	3.3
409.33157	5.1
421.01172	2.9
483.36893	12.6
491.40915	11.1
507.40411	10.1
555.09351	3.2
587.46777	71.9
605.47827	31.2
629.47327	8.3
745.45850	4.1
929.57758	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	927.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	28.8
69.03436	5.4
69.07069	11.4
69.43819	1.2
69.44219	6.0
71.05000	1.8
71.08640	16.0
73.02924	2.9
77.03940	1.3
79.05502	25.8
81.03426	3.6
81.07066	37.8
81.69859	0.8
83.04984	2.8
83.08626	11.8
85.02910	14.7
85.06545	2.2
85.10184	9.3
89.06065	1.5
91.03967	4.4
91.05488	45.6
93.07047	25.0
95.04974	4.3
95.08617	31.5
97.02891	8.1
97.06528	5.6
97.10177	7.4
99.04448	1.6
99.08129	1.7
103.05470	3.0
103.07610	1.4
105.07037	36.4
107.04961	4.3
107.08601	12.9
109.06529	12.1
109.10165	9.2
111.08109	4.3
111.11744	1.5
115.05466	5.7
116.06221	3.3
117.07021	30.3
119.08592	23.9
121.06520	8.4
121.10175	5.9
123.04489	0.9
123.08093	8.9
123.11732	2.9
125.05981	1.6
125.09642	3.2
127.03912	3.4
128.06236	16.4
129.07018	17.3
130.07805	8.3
131.04904	1.4
131.08578	54.0
132.05724	0.9
132.08951	1.0
133.06502	10.0
133.10143	15.9
135.08069	5.9
135.11688	4.3
136.86301	0.8
137.09636	2.0
137.13266	1.2
139.11174	1.2
141.06995	7.0
142.07803	5.2
143.08571	58.1
144.09332	1.4
145.05064	2.2
145.06480	2.4
145.10132	56.8
147.08041	12.2
147.11748	4.0
149.09618	3.5
149.13301	2.5
151.07460	1.3
151.11197	1.9
153.07016	2.0
154.07819	1.6
155.06082	1.5
155.08582	6.8
156.09354	1.0
157.10147	19.0
159.08116	4.5
159.11703	16.7
161.09625	14.0
163.06012	1.8
163.11192	3.9
165.06989	1.6
166.07771	1.2
167.08563	4.0
169.10159	11.3
171.08084	2.9
171.11697	12.6
173.09659	3.3
173.13240	2.8
175.11183	7.2
177.12752	9.5
179.08574	1.1
179.10410	0.8
180.09335	2.2
181.10130	9.0
182.10951	1.2
183.11671	7.2
185.09636	2.5
185.13312	6.0
187.11205	2.0
189.12819	1.3
195.11720	17.0
196.12352	0.8
197.13304	1.4
199.11203	3.5
199.14812	1.2
201.12718	1.8
209.13203	1.9
211.14819	1.7
213.12761	3.8
213.16469	1.1
217.12157	1.0
227.17960	4.6
237.16399	17.9
237.18678	1.5
239.23782	2.5
241.14342	2.1
245.19057	3.2
255.17462	27.8
257.24814	1.7
273.18509	77.4
274.18842	1.6
291.19513	2.1
300.13486	1.6
311.19791	1.1
313.27386	100.0
314.27753	2.4
315.19516	1.2
329.21133	10.3
347.22186	52.6
348.22406	1.9
381.20709	1.7
399.21872	1.5
417.22653	1.6
435.23917	1.7
453.36142	1.0
473.25171	1.0
491.41589	1.0
509.27420	1.5
567.43860	4.2
585.45178	97.3
586.46191	4.9
603.46234	13.6
729.48022	0.9
747.50891	1.3
765.51331	1.3
927.56140	1.3
955.11041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.4
66.46562	0.5
67.05509	43.7
69.03413	2.4
69.07068	7.1
71.04982	2.1
71.08637	18.2
73.02905	1.8
74.09671	0.5
79.05499	7.5
81.03419	7.7
81.06590	1.2
81.07059	18.5
83.04961	2.5
83.08617	10.8
85.02908	9.4
85.06538	2.1
85.10184	10.7
87.04464	1.4
89.06026	1.3
91.01154	0.5
91.03967	4.8
91.05486	9.0
93.06571	0.8
93.07055	8.8
95.04980	4.5
95.08614	17.3
97.02880	5.0
97.06516	1.9
97.10162	3.9
98.21552	0.9
99.04449	0.6
103.03962	0.6
103.07593	1.3
105.04473	0.8
105.07044	3.8
107.04966	5.3
107.08617	4.3
109.06525	4.2
109.10162	44.2
110.10507	0.6
111.04427	1.3
111.08061	1.8
111.11668	0.9
117.06269	0.7
117.07001	3.7
119.08604	4.8
121.06522	4.5
121.10155	2.2
123.04421	0.9
123.08084	1.3
123.11697	2.4
125.06007	0.6
125.09637	0.7
127.03934	1.4
131.08600	3.1
133.10129	1.7
135.11722	1.2
137.09683	2.7
137.13231	1.3
141.06975	0.9
143.08597	0.7
145.04906	1.4
145.06485	1.0
145.10130	2.6
149.09561	0.6
149.13315	1.3
155.10663	4.4
159.11690	3.1
161.09651	1.2
163.06020	2.0
169.10120	1.7
173.11751	10.0
177.12701	1.6
179.10728	1.2
187.11165	2.5
202.15898	1.6
205.12283	2.6
223.13309	11.3
229.14366	79.8
230.14757	1.1
237.14996	0.6
239.23732	2.3
257.24802	1.3
279.15970	4.9
297.16986	34.6
298.17322	0.9
300.13516	3.0
301.16852	0.9
313.27383	100.0
314.27719	2.5
341.30487	1.5
373.18555	1.0
467.37360	56.1
468.37744	2.3
517.39008	3.2
535.39941	20.0
549.41553	1.4
553.40924	2.0
567.42548	1.3
675.12000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.3
67.05507	53.3
69.07075	12.3
71.04980	3.7
72.30723	1.9
73.96296	2.4
75.94301	2.5
77.03907	2.3
79.05494	83.8
81.03432	9.5
81.07061	58.1
83.04990	12.9
83.08602	10.2
85.02896	5.6
85.06526	3.0
91.03929	3.6
91.05484	85.1
93.07044	79.7
93.07634	4.2
95.04983	17.3
95.08612	36.8
95.85522	1.8
97.02888	4.5
97.06563	2.7
97.10194	3.4
99.08072	3.5
102.06879	2.0
103.05506	2.4
105.04527	4.4
105.07032	83.0
107.04955	11.4
107.08605	33.0
109.06503	6.6
109.10155	10.3
115.05432	3.8
115.45536	1.9
117.07005	22.3
119.08582	63.9
121.06506	3.7
121.10136	19.6
123.08050	5.6
127.03923	2.0
128.06204	4.9
129.07008	23.0
131.08574	21.7
133.10136	34.2
135.08070	3.8
135.11690	18.7
141.06950	2.8
143.08551	15.8
145.10127	25.6
147.08046	2.8
147.11693	52.1
149.13287	9.6
155.08537	4.1
157.10109	10.7
157.26813	2.2
159.11703	17.9
161.09618	4.8
161.13249	37.6
163.14879	4.3
169.10191	4.9
171.11679	31.5
173.13303	10.6
175.14853	15.0
177.12790	4.7
183.11624	2.1
185.13252	11.5
187.14851	2.7
189.12721	6.9
197.13333	2.7
199.14778	6.7
207.13800	21.3
209.13211	3.1
213.16310	4.3
227.73802	2.4
231.21072	6.4
241.19527	24.4
257.18903	3.1
259.20575	69.9
261.22107	2.8
279.15927	24.4
281.17471	75.5
297.22086	2.5
315.23318	4.7
333.20398	3.9
333.24213	51.2
386.27005	2.4
404.31604	2.1
413.95309	2.3
447.32379	10.1
465.33408	8.9
483.34586	6.3
497.61081	2.4
529.38599	3.2
539.37329	100.0
540.37347	4.5
557.38348	36.4
647.38898	3.9
665.41205	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	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.8
66.84949	0.6
67.05508	15.9
68.48549	0.6
69.03427	2.4
69.07066	7.0
70.35400	0.5
71.04958	1.2
71.08631	17.5
73.02880	2.0
79.05077	0.6
79.05495	9.1
81.03419	59.7
81.07057	17.6
82.03725	0.7
83.04979	3.0
83.08620	18.4
85.02907	5.2
85.06536	1.1
85.10184	12.4
89.06017	1.4
90.62705	0.5
91.03971	2.7
91.05485	11.4
92.66407	0.5
93.07042	6.7
95.04972	17.9
95.08609	15.9
97.02890	4.3
97.06507	1.5
97.10162	5.1
99.04440	0.7
99.08044	0.6
99.11718	0.6
101.89402	0.5
103.07576	1.4
105.07024	9.2
107.04951	4.6
107.08620	2.4
109.02891	1.0
109.06487	2.0
109.09458	0.8
109.10154	8.1
111.04398	1.6
111.08099	4.3
111.11700	0.6
115.05459	1.1
117.06997	1.1
119.04925	0.8
119.07821	0.7
119.08585	10.1
121.06477	2.3
121.10130	5.1
123.04404	2.1
123.08058	1.0
123.11717	3.4
124.65488	0.4
125.09624	0.7
127.03909	1.3
128.06247	0.5
129.06985	6.0
131.08575	5.6
133.06442	2.1
133.10132	3.0
135.11652	1.0
135.15932	0.6
137.09604	1.1
137.13232	1.1
137.19469	0.5
142.07727	1.8
143.08415	0.5
145.04907	1.9
145.10109	1.6
146.09807	0.5
147.04372	0.6
147.05432	0.6
147.08022	2.5
147.11711	5.9
147.92200	0.7
149.09637	3.3
157.10121	7.4
162.36456	0.6
163.05986	2.1
163.11154	1.3
165.12740	0.9
171.11734	0.5
175.11182	7.8
189.05392	0.8
193.12250	22.9
197.15344	0.6
211.13245	1.2
235.13376	1.2
239.23756	1.7
249.14890	2.2
257.24759	2.0
259.13220	1.2
267.15921	100.0
268.16196	1.6
273.15002	1.0
283.81686	0.6
301.14365	2.0
309.16928	3.4
313.27368	98.0
314.27707	2.5
319.15735	0.6
351.18500	0.6
393.18823	0.6
431.35065	0.6
505.38901	80.4
506.39273	3.0
523.39685	0.7
547.40094	5.0
571.39966	0.6
589.41162	0.9
601.40924	1.7
613.40845	1.3
631.41766	1.7
649.43079	1.1
708.50562	0.7
914.52710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.4
67.05511	33.1
67.05882	1.8
69.03430	1.1
69.07070	10.2
70.06569	0.9
71.08607	1.2
71.29620	0.9
71.30030	0.8
71.50830	1.6
79.05495	31.8
81.03410	2.8
81.07064	31.0
83.04981	6.1
83.08620	7.2
84.08141	1.6
84.56428	1.0
85.02899	3.6
85.06544	1.3
91.03963	1.8
91.05486	24.4
93.07047	32.8
95.04979	7.3
95.08611	24.3
97.02885	1.3
97.06526	2.4
97.10165	4.0
105.04527	1.2
105.07037	19.2
107.04942	2.8
107.08601	10.1
109.06516	2.7
109.10159	7.5
111.08061	1.5
116.07109	1.0
117.06989	4.2
119.08588	11.5
121.06514	1.3
121.10168	5.1
123.08046	2.6
123.11710	1.9
125.09669	0.8
129.07024	7.0
130.08656	1.5
131.08548	2.4
133.10156	5.6
135.11723	3.3
137.13295	1.1
141.09344	0.9
143.08577	3.2
145.10178	3.9
146.76537	0.8
147.11700	17.2
161.09567	1.6
161.13271	5.7
171.11688	10.6
189.12723	4.1
207.13817	14.7
263.23645	2.5
275.19922	0.9
275.68408	1.2
281.17487	52.8
282.17828	2.0
337.27377	41.7
338.27838	1.2
374.31085	1.0
439.61292	0.9
457.90988	1.0
503.73419	0.9
543.40503	100.0
544.40802	5.2
554.64453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	38.7
69.93543	7.7
72.02935	1.3
73.02955	1.4
75.36752	1.3
83.00780	1.6
85.02907	23.1
87.04466	27.3
88.04839	1.9
97.02892	34.8
98.34034	1.4
99.04420	2.1
115.03931	55.4
121.02863	46.9
122.03173	1.8
123.04389	2.1
127.03925	4.6
133.04971	62.0
139.03882	2.5
145.04942	2.5
150.07645	1.8
153.05472	100.0
194.45236	1.5
204.38727	1.7
241.07159	2.8
259.08105	5.7
277.09045	3.7
295.10245	5.0
530.56482	2.1
707.62787	1.7
723.68854	1.5
764.65289	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	11.6
69.03406	2.5
69.06722	0.7
69.07069	6.8
71.01346	1.0
71.04980	0.8
71.08631	16.0
73.02907	1.7
79.05142	0.6
79.05495	6.9
81.03420	51.8
81.06589	1.0
81.07052	14.8
83.04980	2.3
83.08159	1.3
83.08620	15.6
85.02918	4.5
85.06528	0.9
85.10189	10.1
89.06006	1.5
91.03970	3.4
91.05483	10.4
93.07055	5.3
95.04976	14.0
95.08609	17.3
97.02917	3.5
97.06533	1.3
97.10161	4.0
103.07559	0.7
105.07034	7.1
107.04955	3.4
107.08582	2.6
109.06510	2.0
109.10174	6.3
111.04423	1.4
111.08085	3.6
115.05462	0.9
117.07009	1.6
119.07948	0.6
119.08591	7.2
121.06503	1.4
121.10175	3.2
123.04406	0.8
123.08076	0.6
123.11678	2.9
125.09621	1.1
126.46515	0.6
127.03971	1.3
129.07018	4.5
131.08577	5.9
133.06488	1.9
133.10159	3.5
135.34781	0.7
137.09636	1.0
137.13187	1.0
142.07768	1.4
145.04915	1.4
145.10150	1.3
147.08060	0.8
147.11700	4.7
149.09596	3.1
157.10159	6.2
163.06004	3.2
163.11192	1.1
165.12726	1.5
166.24263	0.7
175.11179	7.4
185.13408	0.8
193.12257	20.5
205.12291	0.7
211.13324	1.6
221.22423	1.1
235.13312	1.4
239.23726	2.4
247.73439	0.7
249.14873	2.0
257.24811	2.3
259.13165	1.0
267.15921	100.0
268.16281	1.8
273.14825	1.5
301.14496	2.0
309.16916	2.4
313.27374	93.6
314.27701	2.0
375.18054	0.9
393.18842	0.9
505.38901	77.9
506.39182	3.0
523.39716	0.8
547.39990	4.9
583.21710	0.7
601.40851	2.1
613.41016	1.7
631.41827	1.8
649.43201	1.2
660.97296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.1
67.05510	37.9
69.03420	1.4
69.06723	0.9
69.07073	9.3
71.04984	1.7
71.08630	0.8
73.02904	1.4
73.06557	1.0
77.03938	1.4
78.78530	0.5
79.05499	48.4
81.03428	4.1
81.07063	34.6
81.07450	0.4
83.04992	6.7
83.08623	5.3
85.02912	3.3
85.06539	1.8
87.08056	0.4
91.03952	1.9
91.04908	0.8
91.05489	28.4
93.07052	41.2
94.07391	0.5
95.04972	8.6
95.08616	24.6
97.02916	2.4
97.06528	3.0
97.10175	2.1
99.08092	0.7
103.05466	0.6
105.04526	1.6
105.07044	22.6
107.04998	3.0
107.08606	15.9
109.06525	2.9
109.10157	7.6
111.08118	1.1
113.09649	0.6
115.05474	1.0
117.07029	5.5
119.08591	14.8
120.08837	0.5
121.06497	1.3
121.10151	9.6
123.08077	2.8
123.11718	1.5
127.03934	0.8
128.06290	0.9
129.07025	6.2
130.07828	0.5
131.08563	4.9
133.10133	8.1
135.11697	5.2
137.09630	0.9
137.13193	0.5
143.08577	4.6
145.10130	6.0
147.08061	0.6
147.10515	0.9
147.11697	16.2
149.13298	2.2
151.11154	0.9
156.09279	0.5
157.10100	0.5
158.06201	0.6
159.11713	3.0
161.09695	1.1
161.13257	6.0
163.06056	1.0
163.11226	0.6
163.14885	0.9
171.11708	9.4
173.13290	1.9
187.14799	0.5
189.12785	3.0
191.14415	0.7
201.16237	0.6
207.13818	10.1
238.98466	0.5
241.19379	0.5
243.21138	1.1
261.22122	4.1
279.15961	1.8
281.17490	34.7
282.17899	1.2
285.16995	1.5
302.16837	0.7
303.17960	0.6
313.27484	2.2
317.24820	0.6
335.25830	35.2
336.26172	1.1
449.34482	0.8
509.82431	0.6
523.39490	1.1
541.38953	100.0
542.39197	5.3
559.39972	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	898.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.5
67.05509	34.7
69.03439	2.1
69.06728	0.6
69.07074	7.2
69.97397	0.4
71.05000	15.2
71.08638	18.0
72.45367	0.4
73.02924	2.5
73.06552	0.5
79.05499	9.2
81.03418	1.3
81.07063	64.0
82.07407	0.5
83.04980	2.2
83.08624	9.8
83.09123	0.5
85.02909	7.4
85.06554	6.6
85.10193	11.6
86.73698	0.5
87.04476	0.9
91.03961	5.9
91.05489	12.4
91.71919	0.5
93.07057	7.3
95.05009	1.1
95.08614	20.6
96.04508	0.4
96.08871	0.4
97.02891	4.3
97.06551	2.2
97.10181	5.1
99.04440	0.5
99.08105	1.3
99.11737	0.8
105.07042	6.1
105.07689	0.5
105.72665	0.4
107.08616	5.4
109.06518	0.8
109.10159	12.0
111.08105	1.0
111.11724	0.7
117.07043	1.4
121.06575	0.6
121.10148	2.3
123.11715	14.1
127.03934	1.5
131.08601	1.4
133.10139	10.8
135.11723	1.4
137.13260	1.6
145.04965	2.2
149.13263	2.2
151.11197	5.4
152.97261	0.4
159.11703	2.2
163.06017	2.0
169.12254	1.1
173.04439	0.5
177.12785	1.3
183.13858	2.3
187.13339	3.6
195.13882	1.2
201.14925	1.0
209.76901	0.4
221.22787	0.6
225.14876	0.7
237.72220	0.4
239.23744	1.8
243.15944	0.6
257.17587	1.4
257.24753	0.9
269.17511	4.7
283.19028	0.5
293.99326	0.4
301.16733	0.5
301.20096	15.3
313.27380	14.4
314.27533	0.9
341.27051	0.5
413.22345	0.5
445.24100	0.5
449.87460	0.5
481.38931	68.3
482.39084	2.4
495.40320	2.8
495.60916	0.4
507.40524	6.9
509.41965	0.4
539.43115	100.0
540.43304	4.4
625.43579	0.6
683.47522	0.8
751.25897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.0
67.05510	30.6
69.03427	4.4
69.07079	14.3
71.01356	4.5
71.04987	4.1
71.08637	24.1
72.08132	1.0
73.02909	3.5
74.09729	4.7
79.05497	25.0
81.03421	18.8
81.06588	1.5
81.07064	30.5
83.01340	2.1
83.04983	14.8
83.08618	15.4
85.02905	18.6
85.06525	3.1
85.10188	17.5
87.04447	0.8
88.47512	0.9
89.06053	1.7
91.03955	10.0
91.05492	17.0
93.07052	27.1
94.07355	1.0
95.04984	8.9
95.08614	29.6
96.92582	0.8
97.02889	15.0
97.06528	6.1
97.10175	8.7
99.00816	1.8
99.04460	3.7
99.08077	1.1
103.03970	1.2
103.05459	1.1
103.07572	1.5
105.04483	1.1
105.07047	8.8
107.04972	14.3
107.08613	18.2
108.08923	0.9
109.02894	2.6
109.06521	3.6
109.10157	17.8
110.10498	1.1
111.04451	10.9
111.08085	4.4
111.11691	1.7
113.05956	1.0
115.03993	1.1
117.07019	8.8
119.07794	1.2
119.08582	12.5
121.06509	4.1
121.10152	12.3
123.04411	1.6
123.08057	3.9
123.11685	2.9
125.05967	2.8
125.09655	3.0
127.03899	3.2
129.06995	3.2
130.07803	1.0
131.04913	1.2
131.08566	8.8
133.10095	6.4
135.08044	3.5
135.11720	17.9
137.09615	2.9
137.13255	1.2
141.34952	0.9
145.04987	3.2
145.06464	1.1
145.10138	19.9
147.08032	4.2
147.11717	1.2
147.53702	0.8
149.09587	5.6
151.11163	1.2
153.12746	12.0
155.08551	3.4
161.09625	2.6
163.06012	3.8
163.07321	0.9
163.09865	1.6
163.11200	29.4
163.12558	1.6
165.09105	1.3
173.09644	7.8
179.10712	1.3
181.12239	9.8
191.10661	12.7
205.60616	0.8
209.11746	27.8
221.22784	1.0
227.12781	16.0
239.23805	2.1
255.15959	1.2
257.24704	2.5
265.14371	9.6
280.08908	0.9
283.15427	55.1
299.14877	6.1
300.15179	5.5
301.16476	63.4
302.16684	1.0
313.27383	90.6
314.27774	6.8
315.28009	2.0
445.21024	1.4
470.42456	0.9
503.37463	7.9
521.38440	71.2
522.38727	2.7
538.38202	2.3
539.39447	100.0
540.39917	4.6
683.42950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.6
67.05511	28.8
69.03423	2.8
69.07069	12.1
71.01347	1.2
71.04977	4.1
71.08638	21.9
71.51730	1.3
73.02909	2.7
79.05498	21.2
80.56016	1.0
81.03427	10.7
81.07060	27.8
83.04991	8.4
83.08628	13.7
85.02909	10.3
85.06537	1.4
85.10184	12.0
89.06020	3.6
91.03975	5.3
91.05495	13.2
93.07053	25.6
95.04982	7.7
95.08615	28.4
97.02903	10.6
97.06523	4.8
97.10166	6.9
99.04472	1.8
103.07568	1.2
105.07030	7.0
107.04976	9.5
107.08600	17.4
109.06502	2.8
109.10162	9.3
111.04482	5.9
111.08137	1.1
111.11676	1.5
117.07043	7.1
117.87486	1.1
119.08590	9.3
121.06506	3.8
121.10159	12.8
123.08115	2.6
123.11686	3.7
125.05995	2.0
125.09642	2.6
127.03939	2.7
129.07021	1.7
130.07841	1.1
131.08589	5.9
131.09378	1.2
132.94678	1.1
133.10155	2.9
135.08041	2.5
135.11696	21.9
137.09596	1.6
137.13309	1.2
139.07520	1.2
143.08516	1.4
145.04964	2.7
145.06479	2.1
145.10123	17.4
147.08031	2.9
149.09549	2.9
151.11127	1.3
153.12709	4.6
155.08525	2.2
163.06024	1.8
163.11186	33.7
173.09630	5.6
181.12228	7.9
184.07436	2.3
191.10634	6.9
209.11725	15.5
209.13643	1.6
227.12807	30.7
239.23744	1.8
255.15596	1.3
257.24756	2.7
265.14380	7.1
283.15408	66.8
284.15521	1.5
301.16473	52.2
313.27399	100.0
314.27698	3.4
503.37250	3.2
521.38397	70.0
522.38702	2.9
539.39471	55.8
540.39581	3.1
557.40265	1.7
768.47748	1.3
898.51465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19613	0.4
65.03912	0.6
67.05510	8.9
69.03399	2.0
69.07076	4.4
71.01325	0.9
71.04966	0.6
71.08637	13.7
71.51429	0.5
72.08120	1.3
73.02920	2.4
74.09708	0.8
75.04469	0.4
79.05498	3.9
81.03382	1.9
81.07059	13.7
81.63828	0.5
83.04936	1.5
83.08623	9.8
85.02459	0.5
85.02908	6.3
85.06505	1.4
85.10188	8.0
89.06045	0.8
91.03960	4.7
91.05482	9.6
93.07050	7.0
95.04936	2.0
95.08088	0.7
95.08616	10.0
97.02910	6.5
97.06495	1.6
97.10169	3.7
99.00829	9.1
99.04440	0.7
99.11733	0.8
101.02361	0.8
103.05437	0.6
103.07558	0.6
105.06401	0.6
105.07041	7.8
107.04961	4.1
107.08601	3.7
109.02884	5.5
109.06501	1.2
109.10163	7.0
111.04408	1.1
111.08109	2.7
114.88432	0.5
115.03892	1.9
117.07011	1.8
119.08584	4.5
121.06526	4.3
121.10126	0.9
123.04430	1.1
123.11735	3.6
127.03909	2.9
128.06215	0.9
131.08618	0.8
133.06467	0.6
133.10138	21.0
135.08026	0.9
137.05951	1.0
137.09581	0.9
137.13249	0.8
139.07484	1.4
143.08530	2.4
145.04921	2.6
145.06447	0.9
151.11191	6.9
161.08310	0.7
161.09622	12.1
163.05989	2.0
163.11195	0.6
171.08064	2.5
179.10703	7.4
189.09108	6.4
197.11778	1.2
207.10132	2.4
225.11205	6.5
239.23686	0.9
243.12256	1.7
257.24701	1.2
281.13968	3.5
299.14908	100.0
300.15283	2.9
313.27380	75.5
314.27707	2.4
485.26788	0.5
537.37921	52.5
538.38129	2.6
724.39966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42971	0.5
67.05507	7.2
69.03435	2.8
69.07069	2.0
71.04997	0.8
71.51646	0.7
73.02949	2.7
79.05499	2.9
81.03405	3.0
81.07062	4.3
83.04999	0.8
83.08643	0.8
85.02914	4.2
85.89458	0.6
90.64877	0.6
91.03976	1.9
91.05495	2.5
93.07033	3.3
95.05001	0.8
95.08621	2.0
97.02906	3.5
101.02407	1.9
105.07029	2.8
107.04960	0.8
107.08604	1.2
109.10146	6.3
117.07057	0.6
119.08578	1.3
121.06545	0.9
121.10170	0.7
127.03955	1.3
127.79749	0.6
129.05496	0.8
133.08768	0.6
133.10162	1.0
147.11700	0.7
153.01959	0.5
173.11746	1.4
185.04260	1.4
195.10153	0.6
229.14377	0.8
235.21103	0.7
243.08409	3.8
301.08984	2.3
333.20535	3.0
351.23993	0.7
371.16678	0.7
373.11209	1.4
385.18314	2.1
389.23065	0.7
413.17856	10.1
429.17474	1.4
439.19418	0.8
453.21097	0.9
458.71408	0.6
469.20532	1.4
477.25076	0.6
537.96051	0.7
541.22803	4.4
551.28192	8.4
583.28619	0.7
585.07495	0.6
623.30737	2.4
625.31781	1.6
637.32092	0.8
665.35510	0.7
693.38129	0.8
707.39392	1.4
723.39307	100.0
724.39594	6.6
731.46362	0.8
751.42261	3.7
779.42505	3.3
807.41693	0.8
893.48486	13.2
894.49097	1.8
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
63.91278	1.5
63.94489	1.2
65.03939	4.9
66.27680	1.5
67.05509	100.0
69.03438	7.9
69.07073	47.7
70.06570	2.2
70.10048	6.1
71.01336	1.6
71.04986	6.6
79.05496	55.0
81.03437	12.3
81.07060	78.8
83.04977	10.9
83.08213	1.8
83.08629	19.2
85.02895	4.0
85.06528	5.3
86.09679	2.2
87.35752	1.6
91.03960	1.7
91.05484	60.8
92.05819	1.6
93.07046	56.6
95.01304	1.6
95.04980	14.2
95.08617	48.5
97.02888	4.9
97.06540	17.8
97.10181	12.8
99.04449	1.8
99.08071	3.2
105.04548	2.4
105.07040	36.9
107.04953	10.4
107.08607	36.3
108.96273	1.4
109.02864	1.4
109.06550	9.8
109.10162	50.1
111.04475	2.0
111.08094	7.6
115.05495	1.6
116.07072	1.8
117.07013	17.9
119.04907	2.4
119.08585	33.9
121.06528	12.5
121.10155	21.4
123.04454	3.1
123.08076	5.2
123.11710	5.9
125.09627	13.0
129.05449	2.4
129.06993	7.6
131.08568	24.1
133.06514	4.3
133.10139	28.0
135.08069	5.4
135.11714	14.0
137.09616	13.4
139.11261	2.3
141.06961	4.4
142.07706	1.4
143.08528	8.5
145.06444	2.6
145.10106	18.1
147.08009	3.4
147.11714	16.8
149.09631	22.9
149.13246	11.9
151.11172	3.4
155.08540	4.5
155.10692	3.3
157.10132	8.3
159.08090	3.1
159.11708	16.5
161.09625	4.4
161.13231	5.8
163.11191	11.8
165.09084	3.8
167.10703	1.8
169.10139	4.7
171.10271	3.1
171.11705	6.3
173.04451	2.2
173.09599	3.0
173.11736	14.2
173.13237	5.6
175.11197	3.7
177.12772	3.9
179.14334	4.2
181.12244	2.1
183.11664	4.4
184.07294	1.9
185.13309	5.2
185.18501	1.4
187.11136	1.6
187.13397	1.5
187.14880	2.7
189.11229	6.1
189.12820	3.7
190.20396	1.8
193.12238	2.7
195.11917	1.7
195.13838	5.2
197.13216	4.6
197.98471	1.8
199.11397	1.6
203.14423	1.9
207.13792	1.9
213.16478	1.9
221.13306	1.7
221.15280	3.2
227.12756	10.7
229.14360	26.1
239.17982	3.8
245.19005	2.1
247.20589	3.4
255.15895	2.1
257.19040	12.5
267.15881	3.0
269.17511	17.8
273.18536	4.4
275.20084	49.5
291.19601	9.2
293.21133	3.6
323.17642	1.9
325.20416	1.8
349.23773	40.4
350.24002	1.6
365.23279	5.0
367.24771	6.1
383.24252	16.1
409.26071	2.3
423.27353	16.9
445.29739	1.8
447.31299	1.9
463.30612	1.8
503.33737	18.1
519.32788	1.7
521.34741	3.9
525.35516	2.3
543.36713	19.8
561.37561	2.8
623.43054	10.5
641.43890	6.6
657.43390	1.9
710.44098	2.8
890.47766	1.8
891.47736	2.9
898.50641	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	7.9
67.05511	100.0
69.03433	12.3
69.07076	58.0
70.06599	2.7
71.01352	2.5
71.04998	20.5
73.02913	3.0
79.05502	81.4
81.03428	17.4
81.07063	98.1
83.04995	14.6
83.08627	21.9
84.04474	2.6
85.02910	11.0
85.06541	5.1
91.05487	71.2
93.07050	77.6
94.07400	2.0
95.04990	21.8
95.08070	3.3
95.08618	42.6
96.07199	1.7
97.02893	6.4
97.06007	2.9
97.06546	36.7
97.10187	20.3
98.20805	5.0
99.04457	3.0
99.08090	5.0
99.88280	2.0
101.02441	2.1
103.05514	3.0
105.04538	4.2
105.07044	59.0
105.96726	1.8
107.04960	15.4
107.08602	55.4
109.02882	2.9
109.06518	16.0
109.10174	33.2
111.04428	2.9
111.08103	9.5
115.05430	3.1
115.07610	5.1
116.06319	2.2
116.07111	3.0
117.07024	28.7
119.04939	3.3
119.07808	3.6
119.08592	42.3
121.06523	11.7
121.10149	24.5
123.04493	4.2
123.07272	2.0
123.08060	11.3
123.11697	6.2
125.09641	18.0
127.03875	5.2
128.06288	3.0
129.07043	14.4
131.08572	36.3
133.06470	4.8
133.10153	36.5
135.08081	13.8
135.11726	20.3
137.09587	6.6
139.07623	2.3
139.11122	2.3
141.06996	5.2
142.07761	3.4
143.08604	10.2
144.09340	3.6
145.06500	3.9
145.10133	29.2
147.08011	6.5
147.11707	19.1
149.09634	18.4
149.13251	13.6
151.11156	7.1
153.09076	4.3
155.08551	6.2
157.06369	2.1
157.10110	13.1
159.08075	4.0
159.11714	22.6
161.09621	4.3
161.13261	4.4
163.11165	15.5
165.09094	3.6
169.10123	5.4
171.10324	2.9
171.11659	10.3
173.04485	3.9
173.09607	4.5
173.11743	5.3
173.13260	9.5
175.11185	4.0
177.12750	8.9
179.14313	2.1
181.10085	4.1
183.11734	6.4
185.13206	4.9
187.11269	5.1
187.14836	3.0
189.11211	6.0
189.12729	3.8
193.12169	2.6
195.11702	2.3
195.13794	4.3
197.13303	3.6
199.11296	2.6
203.14345	2.3
205.12149	2.1
209.13338	3.3
211.14803	3.1
219.13829	2.0
223.13206	2.9
227.12715	15.3
229.14319	14.3
229.19518	4.0
233.15182	2.6
239.17989	5.2
247.20448	2.6
255.15929	6.7
257.18985	11.9
261.15073	2.4
261.18460	2.6
267.15900	4.1
269.17426	20.0
273.18530	6.6
275.20093	39.8
289.17938	3.8
291.19437	14.7
293.21262	2.3
331.22726	4.1
349.23770	32.8
353.24762	3.1
365.23199	6.1
367.24649	3.0
399.23569	2.3
409.25848	4.8
413.21741	2.8
423.27466	12.9
440.14563	2.4
445.29388	4.3
449.28867	9.0
461.29077	2.6
463.30719	14.9
482.02942	2.1
503.33643	13.7
525.35626	13.3
529.35034	5.0
543.36810	51.2
544.36682	2.5
559.36505	3.4
561.37665	5.9
575.38971	3.0
607.34326	5.9
623.43024	8.7
623.84717	2.0
639.42047	3.2
641.43683	3.5
738.44098	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	888.568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	6.9
67.05508	100.0
67.22534	1.5
69.03436	11.3
69.07072	50.9
70.06592	6.1
71.01338	2.0
71.04994	17.2
71.08615	2.1
71.51185	2.4
73.02912	2.5
74.94643	1.4
75.04482	1.6
77.46388	1.4
78.94195	1.7
79.05497	77.2
81.03428	21.1
81.07059	87.4
83.04996	14.6
83.08612	19.2
84.04501	2.3
85.02913	8.6
85.06540	5.2
89.45274	1.7
91.04901	2.2
91.05485	65.9
93.07045	67.3
95.04964	20.0
95.08612	43.5
95.24761	2.0
97.02868	8.4
97.06527	36.7
97.10161	15.0
99.04450	2.1
99.08110	5.8
103.05492	1.9
105.04544	2.8
105.07034	48.5
107.04955	16.6
107.08598	43.5
109.02897	2.7
109.06525	18.4
109.10158	35.6
111.04466	2.7
111.08077	9.6
113.06034	2.1
113.09655	3.4
115.05467	5.1
115.07590	6.6
116.06287	2.1
116.07081	6.6
117.07014	23.5
119.04971	1.9
119.08584	37.3
121.06510	9.1
121.10139	21.1
123.04442	2.1
123.08072	11.2
123.11742	4.3
125.09634	12.1
127.03914	4.2
128.06218	3.5
129.05484	3.9
129.07005	12.9
130.08679	1.8
131.08568	29.8
133.06532	4.2
133.10126	30.9
135.08049	10.1
135.11708	17.0
137.09622	9.8
139.07567	1.7
141.06975	5.0
142.07838	2.3
143.08574	12.3
145.06522	2.2
145.10136	24.8
147.08060	4.9
147.11684	17.8
149.09616	16.9
149.13264	13.6
151.11227	4.8
153.09126	2.0
155.08554	4.6
155.10649	2.7
157.06528	2.2
157.10156	9.2
159.08054	3.4
159.11707	18.7
161.09627	5.6
161.13272	6.5
163.11198	11.0
165.09015	2.2
167.08539	2.4
167.14235	1.5
169.10164	6.2
170.10983	1.8
171.11676	7.4
173.04404	3.5
173.09601	2.3
173.11760	5.8
173.13269	6.9
175.11191	4.7
177.12761	6.6
179.14311	3.1
181.10121	2.2
181.12386	2.0
183.11716	6.7
184.07419	3.3
185.13287	5.6
187.11234	2.9
189.11194	5.8
189.12732	2.9
190.72614	1.6
193.12236	2.9
195.11809	3.8
195.13846	5.1
197.13284	6.2
201.12781	2.0
205.12209	2.9
211.14978	3.2
223.13214	2.4
227.12784	12.5
229.14320	18.2
229.19542	2.9
233.15366	2.4
239.17882	3.2
247.20602	2.8
253.14349	2.6
255.15829	3.0
257.18954	6.2
267.16046	2.1
269.17474	16.8
273.18549	9.6
275.20059	31.1
289.18073	1.7
291.19528	11.5
293.21100	3.0
331.22687	3.4
333.24368	1.7
347.22153	2.9
349.23761	26.8
365.23175	4.2
367.25241	3.0
380.31412	1.6
409.25702	2.9
423.27502	12.4
431.28360	1.8
433.30911	2.4
445.29578	2.5
449.29065	8.0
463.30609	13.0
503.33737	9.4
519.33276	2.3
521.34851	2.5
525.35754	7.0
529.35254	4.6
543.36896	31.6
559.36169	2.4
561.37726	5.4
571.33545	2.6
575.39423	2.8
607.34473	4.8
623.42908	4.8
639.42273	2.9
641.44482	2.5
655.45276	1.8
687.40765	3.7
702.43939	1.6
726.44324	3.8
888.52740	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95938	0.8
65.03932	5.4
67.05508	100.0
69.03436	11.0
69.07074	27.5
71.01359	1.8
71.04994	5.7
71.08642	1.6
71.51897	0.9
73.02901	4.5
77.03949	1.2
79.05498	63.4
80.05801	1.5
81.03421	17.2
81.07061	70.2
83.04982	16.1
83.08625	17.2
85.02913	16.2
85.06556	6.2
87.04467	4.7
91.03951	2.0
91.05486	60.9
93.07050	53.7
95.04974	14.7
95.08611	32.2
97.02878	8.2
97.06526	10.9
97.10181	14.3
99.04459	1.7
99.08096	4.5
101.02372	1.1
101.81129	1.3
103.05499	2.0
103.55551	1.0
105.04520	2.5
105.07035	49.9
107.04950	7.7
107.08603	32.7
109.02880	1.7
109.06509	7.2
109.10162	56.2
111.04444	2.8
111.08085	6.0
113.09645	1.8
115.05456	2.4
117.07026	18.1
119.08591	38.7
121.06503	3.2
121.10155	16.9
123.04414	1.2
123.08094	7.2
123.11736	2.1
125.09628	15.2
127.03902	3.0
128.06206	2.0
129.05508	5.3
129.07011	10.1
130.07864	1.5
131.08568	20.7
133.06444	1.9
133.10143	25.3
135.08040	3.4
135.11699	13.2
137.09654	5.8
141.07021	1.2
142.07793	1.3
143.06982	1.1
143.08588	7.9
143.10701	2.3
144.09346	1.2
145.04988	1.7
145.06509	1.6
145.10135	17.5
147.08051	2.9
147.11691	21.0
149.09630	7.6
149.13261	8.7
151.11156	1.8
153.12711	1.5
155.08585	2.4
155.10667	4.3
157.10077	7.5
159.11700	15.0
161.09621	2.2
161.13280	10.1
163.11176	11.2
163.14774	1.3
165.09102	1.3
169.10132	2.1
171.10239	1.8
171.11649	9.1
173.04401	1.2
173.11745	17.0
173.13300	6.0
175.11198	2.1
175.14754	2.8
177.12729	4.4
179.14328	2.0
181.10103	1.9
181.12257	1.9
183.11673	1.4
185.13280	4.2
187.11226	1.5
187.14792	1.9
189.11224	1.6
189.12814	2.1
193.12282	2.9
195.11728	1.8
195.13806	3.6
197.13249	1.0
199.13280	6.3
199.14888	2.3
202.21265	1.0
203.14348	1.3
207.13841	2.7
209.11697	2.6
211.13228	1.5
221.13298	1.1
227.12782	5.0
229.14375	29.7
229.19545	1.3
231.21078	2.2
239.17947	1.6
241.19540	5.5
256.45898	1.1
257.13959	1.3
257.19012	3.1
259.20578	17.7
261.22208	1.5
267.15964	1.7
269.17435	9.9
271.20639	1.2
273.18542	1.6
275.20132	12.1
281.17380	4.9
283.15442	1.5
291.19583	4.7
293.21036	1.7
297.22263	1.2
301.16483	4.5
301.21527	1.5
303.16040	1.0
315.22983	2.3
325.21509	2.1
332.76593	1.1
333.24301	15.3
333.91370	1.0
335.25735	4.4
336.06842	1.0
349.23663	7.1
393.26517	1.3
399.23871	7.7
423.27475	14.2
435.27408	3.7
461.16794	1.3
487.33896	1.7
503.33975	1.9
529.39111	6.0
593.36804	7.5
700.95251	1.5
888.49951	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	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.0
67.05510	100.0
69.03431	8.0
69.07073	23.9
71.01359	1.6
71.05000	7.3
73.02926	3.3
79.05498	50.8
81.03426	18.2
81.07064	66.8
83.04992	13.7
83.08621	18.9
84.08131	2.8
85.02897	11.4
85.06526	5.7
87.04469	4.6
88.69033	1.1
91.05486	43.5
93.06485	2.6
93.07050	43.5
95.04989	11.0
95.08616	26.5
97.02883	7.3
97.06548	13.5
97.10176	10.8
99.04457	2.9
99.08092	4.9
103.03960	1.2
105.04533	2.6
105.07040	27.5
107.04970	12.0
107.08604	30.8
109.02874	1.7
109.06530	8.1
109.10165	55.1
111.04442	2.0
111.08064	6.7
115.05461	2.2
117.07027	12.9
119.08596	22.2
121.06544	5.7
121.10158	13.6
123.08067	4.9
123.11705	3.4
125.09646	12.7
127.03890	2.2
129.05490	3.6
129.07033	6.6
131.08585	13.9
133.06419	1.2
133.10143	17.4
135.08063	5.2
135.11729	16.5
137.09593	4.0
139.11145	1.8
141.07030	1.9
143.08551	3.5
143.10719	1.4
145.06433	1.9
145.10136	14.6
147.08067	3.0
147.11742	9.0
149.09666	9.7
149.13284	10.1
151.07664	1.3
151.11172	3.4
153.12799	4.0
155.10670	4.1
157.10173	4.0
159.07997	1.3
159.11694	11.7
161.09616	1.4
161.13280	3.0
163.11200	9.4
165.12811	1.3
169.10165	2.3
171.11719	3.0
173.09595	2.7
173.10327	1.4
173.11745	15.2
173.13213	2.4
175.11252	1.4
177.12790	4.1
179.14314	1.2
181.12234	4.2
183.11687	2.0
185.13240	1.1
187.14804	2.1
189.11168	1.8
189.12778	1.4
190.76654	1.2
191.10594	3.2
193.12248	4.0
195.13847	8.0
199.13260	5.1
209.11772	5.9
211.13226	2.6
217.14156	1.4
227.12758	6.6
229.14343	37.9
230.14626	2.0
239.18031	1.6
247.20793	2.1
255.15916	8.9
257.19049	4.0
259.20618	1.6
267.15915	5.4
269.17468	26.3
275.20111	21.8
283.15399	4.0
291.19553	2.0
293.17557	1.5
293.21014	2.6
301.16470	8.9
331.22894	1.4
349.23819	15.0
367.24741	5.3
399.23846	16.8
409.25800	7.9
423.27435	27.3
438.70618	1.5
461.29099	1.7
477.28638	2.2
495.29654	6.6
503.33551	6.5
521.34821	2.6
575.35455	1.7
579.35144	4.9
593.28375	2.0
593.36920	27.3
673.42816	2.9
691.43597	3.7
889.51959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57523	1.1
65.03959	5.2
67.05510	100.0
69.03445	7.3
69.06734	1.9
69.07076	27.7
69.91457	5.9
71.01338	2.8
71.04997	6.4
73.02913	5.0
77.03955	1.0
79.05499	54.9
79.28988	1.1
81.03429	21.0
81.07063	69.0
83.04987	13.3
83.08621	19.4
85.02912	14.3
85.06536	4.2
87.04474	3.9
91.05489	43.5
93.07051	44.7
93.07637	2.5
95.04978	14.2
95.08612	33.1
97.02901	6.1
97.06541	15.2
97.10175	15.3
99.04446	2.0
99.08116	2.5
103.05460	1.5
105.04518	1.7
105.07034	34.5
107.04975	8.4
107.08601	32.3
107.73609	0.9
109.02908	1.2
109.06532	8.3
109.10163	58.3
111.04446	2.6
111.08089	6.8
111.40948	1.1
113.05997	1.2
115.05470	1.6
116.06261	1.3
117.07030	12.8
119.08590	23.0
119.11343	1.1
121.06520	4.9
121.10155	13.5
123.08075	4.8
123.11662	2.9
125.09640	15.6
127.03886	3.3
127.07586	1.1
129.05504	3.2
129.07013	6.1
131.08560	17.1
133.06509	1.3
133.10141	18.5
135.08069	4.7
135.11720	14.0
137.09628	4.6
139.07533	1.3
139.11133	1.7
141.07019	1.5
141.09088	1.1
142.07822	1.7
143.08598	4.0
143.10689	1.8
145.06432	2.1
145.10127	12.5
147.08037	2.2
147.11696	11.7
148.55823	1.1
149.09642	10.2
149.13252	8.3
151.11192	3.8
153.09167	1.5
153.12779	1.9
155.08589	2.1
155.10678	4.4
157.08597	2.4
157.10118	3.2
159.11699	12.4
161.13278	3.9
163.11180	12.7
164.61906	1.1
165.12750	2.2
169.10124	1.4
171.10193	1.1
171.11723	3.1
173.04518	2.1
173.09578	2.4
173.11757	16.2
173.13307	4.5
175.11227	3.4
177.12793	4.2
179.14381	1.7
181.12239	4.9
183.11728	2.0
185.13326	1.3
187.11203	2.2
189.11266	4.2
191.10745	2.9
193.12248	4.5
195.13834	4.1
197.13293	1.9
199.13243	6.1
209.11792	4.7
211.13251	1.6
216.96735	1.2
227.12779	12.8
229.14365	38.0
229.19498	1.6
233.15395	1.8
239.17847	2.1
247.20590	2.0
255.15912	7.4
257.19077	5.5
265.14468	1.5
267.15961	5.9
269.17529	17.6
275.16974	1.5
275.20087	27.5
283.15530	2.7
293.17670	1.2
293.21042	1.8
301.16507	8.5
349.23740	18.3
367.24570	2.0
399.23953	13.9
409.25906	8.1
423.27460	20.7
477.28018	1.2
481.27628	1.5
495.29547	5.8
503.33582	9.2
540.68146	1.2
579.35272	2.8
593.36981	23.5
594.37231	1.9
673.43512	6.0
691.43469	3.2
864.48987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.4
65.05296	0.5
67.05511	63.6
69.03436	10.3
69.07076	29.0
71.01350	1.3
71.05008	4.9
73.02899	1.8
77.03889	0.8
79.05499	33.3
80.05846	0.6
81.03428	10.1
81.07063	35.7
83.04987	7.2
83.08621	13.1
84.08154	5.3
85.02913	6.3
85.06536	3.1
87.04461	2.6
91.03954	0.7
91.05492	26.7
93.06487	1.4
93.07057	22.1
95.04984	10.2
95.08044	0.7
95.08610	17.0
97.02888	9.0
97.06534	5.4
97.10184	15.5
99.04459	1.2
99.08089	1.2
103.05450	1.2
103.68991	0.6
104.48516	0.6
105.04495	1.6
105.07040	18.2
107.04971	7.9
107.08602	17.0
109.02876	1.0
109.06535	4.6
109.10165	38.3
111.04446	2.1
111.08115	4.2
113.06057	0.8
115.05485	1.7
117.07033	8.2
119.04945	1.0
119.08592	15.6
120.05717	0.8
121.06548	5.8
121.10158	7.1
123.04486	1.0
123.08104	4.1
123.11713	2.0
125.09638	14.4
127.03881	0.7
128.06224	1.7
129.05490	2.1
129.06998	4.4
130.07788	1.2
130.08641	8.6
131.08580	10.3
133.06454	3.0
133.10144	11.1
134.07283	1.2
135.08046	3.2
135.11707	4.2
137.09628	4.7
139.11148	0.7
143.08585	3.6
143.10686	0.9
145.06465	1.3
145.10135	7.2
147.08029	6.5
147.11673	4.3
149.09610	4.0
149.13228	2.8
151.11208	3.8
153.09055	1.1
153.12738	2.2
155.08533	1.0
155.10672	2.7
157.08846	0.7
157.10130	3.1
159.08081	0.9
159.11728	3.5
161.09639	3.4
161.13274	0.8
162.10454	1.0
163.11168	5.3
165.09116	1.2
167.08521	0.7
169.10173	1.0
169.12202	1.6
171.10187	1.2
171.11685	2.2
173.09586	1.6
173.11800	10.0
173.13281	1.5
175.11127	2.9
177.12770	1.7
179.14323	0.8
181.10298	0.6
181.12209	1.9
185.13309	1.2
187.11188	0.7
189.11218	4.2
189.12682	0.9
191.10687	2.2
193.12225	3.3
195.13785	1.6
199.13324	5.1
205.12265	1.4
209.11737	4.3
211.13243	1.4
223.13306	15.5
227.12788	7.5
227.17850	0.8
229.14360	29.2
230.14957	0.7
245.19072	1.3
249.14886	3.2
253.14351	4.7
257.13840	1.0
257.19080	1.1
263.20096	1.2
267.15897	2.9
269.17487	0.8
271.15402	1.1
273.18491	14.2
275.20163	3.7
283.15396	3.2
291.19568	100.0
292.19965	2.9
301.16516	6.3
309.20575	1.4
313.27344	1.0
347.22235	2.5
349.23764	2.7
365.23267	33.9
366.23703	1.0
399.23792	11.3
425.25446	1.4
477.32651	0.7
489.32114	2.0
507.33240	1.7
519.33234	28.5
520.33514	1.4
557.34534	1.1
573.34247	1.7
591.35168	5.7
609.36139	1.5
689.42584	10.4
690.43286	0.9
742.56720	0.7
887.50812	1.0
887.99194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.2
67.05512	18.7
69.03428	4.4
69.07063	4.1
69.31711	8.1
70.06596	2.2
71.04984	3.5
72.96390	0.8
73.02895	1.8
79.05495	20.6
81.03419	80.0
81.07059	18.9
83.04984	11.7
83.08143	1.7
83.08620	21.0
85.02911	13.6
85.06553	1.4
91.03959	2.4
91.05482	27.6
93.03404	1.0
93.07037	16.3
95.04967	30.1
95.08067	1.0
95.08608	10.7
97.02889	6.1
97.06520	3.3
97.09635	0.9
97.10158	5.6
99.04461	0.9
105.07039	20.4
107.04952	9.1
107.08587	9.0
109.06515	4.9
109.10168	4.4
109.61694	0.9
111.04430	3.5
111.08085	7.3
113.05955	1.2
115.05460	3.3
117.07041	2.8
119.04942	1.5
119.08587	16.9
121.06501	6.7
121.10158	9.3
123.04402	2.3
123.08059	2.4
123.11754	1.4
125.09625	3.2
128.06192	1.0
129.07019	10.7
130.32242	1.0
131.04927	1.2
131.08568	10.8
133.06456	3.7
133.10124	9.1
135.08092	2.0
135.11687	1.9
137.09616	3.0
139.03889	1.5
142.07808	4.5
143.08566	1.7
145.06470	4.5
145.10155	3.3
147.08058	4.7
147.11703	9.8
149.09634	6.4
153.09132	1.1
155.08534	1.2
157.06487	1.7
157.10124	13.5
159.08063	1.2
159.11702	1.5
161.05995	1.2
161.09648	1.3
163.11156	2.3
165.08978	0.9
165.12772	3.2
167.07086	2.5
169.10091	1.1
171.08032	1.6
175.11179	11.4
189.11340	1.6
193.12241	31.8
205.12141	1.1
209.13344	1.2
211.13275	13.5
213.12686	1.1
227.12746	1.0
229.14352	2.1
241.14363	1.2
249.14818	2.2
255.13777	2.0
259.13214	0.9
267.15927	100.0
268.16241	2.6
273.14825	3.9
283.16043	1.0
285.16992	10.5
306.07391	1.0
309.16934	1.4
323.18933	1.1
339.23257	1.8
340.96249	1.1
341.21191	1.7
349.21484	2.8
351.55542	1.0
357.24625	1.4
367.22702	8.7
368.22568	0.9
385.23740	10.3
403.24832	3.8
415.24951	1.6
433.25916	15.2
441.26334	7.7
459.27438	77.1
460.27710	3.4
477.28500	47.6
478.28815	1.9
482.83710	1.1
491.30017	1.1
501.28787	1.2
519.29028	2.0
543.29205	1.1
585.30243	3.1
603.31171	2.2
621.32379	1.7
634.37720	1.1
886.44476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.7
68.10727	0.3
69.03435	3.1
69.07063	0.8
71.04977	0.5
71.08629	1.1
71.51897	0.5
73.02919	4.3
74.09716	0.4
79.05482	2.2
81.03425	2.0
81.07069	1.8
83.08644	0.4
85.02910	5.2
85.03384	0.5
85.10188	0.7
91.03957	3.2
91.05477	1.8
92.87497	0.3
93.07038	1.9
95.04932	0.4
95.08630	1.9
97.02897	5.2
97.10175	0.5
99.04462	0.7
101.02373	2.0
105.07036	1.6
107.04985	0.4
107.08591	0.7
109.02904	0.4
115.03912	0.5
117.07024	0.4
117.99599	0.3
119.08605	0.7
123.17645	0.3
127.03107	0.3
127.03915	2.0
129.07072	0.5
143.08601	0.3
146.49254	0.3
147.11737	0.7
161.09558	0.3
161.13341	0.3
171.11784	0.7
185.04285	0.9
203.05258	0.6
207.13869	0.3
243.08420	1.9
247.13173	1.0
300.72089	0.3
303.15659	0.6
313.27243	0.7
347.09512	2.6
363.09122	0.6
365.10623	0.9
405.13666	5.8
465.20941	7.8
497.30865	4.6
627.26227	8.0
659.36267	4.0
721.45251	2.6
787.80219	0.3
865.43268	0.4
883.50281	100.0
884.50580	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	884.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.2
66.45989	0.8
67.05506	63.4
69.03423	4.4
69.07071	13.8
69.07449	0.7
71.04598	1.1
71.04994	16.8
71.08636	20.7
71.51517	1.0
73.02905	3.8
73.91614	0.8
79.05495	19.5
81.03428	4.6
81.07057	31.9
83.04974	4.4
83.08621	13.7
84.08105	1.2
85.02910	11.3
85.06538	3.5
85.10190	13.6
91.03954	6.1
91.05482	21.2
93.06483	1.7
93.07045	23.5
95.04964	3.0
95.08608	33.0
97.02870	5.3
97.06532	3.6
97.10166	4.8
99.08106	1.8
99.11743	1.1
105.07030	13.2
107.08598	11.7
109.02895	1.3
109.06503	2.2
109.10158	56.1
111.08075	3.2
111.11706	1.3
115.05461	1.2
117.07015	6.6
119.08587	16.8
121.06515	1.5
121.10142	8.0
123.08092	1.1
123.11745	4.6
127.03900	2.5
128.06181	0.8
129.07002	2.8
129.99814	0.7
131.08556	6.4
133.10127	5.6
135.08020	1.4
135.11679	10.3
137.09622	7.3
137.13206	1.6
141.06934	1.4
142.07755	0.8
143.08553	3.0
145.04980	1.6
145.10144	7.3
146.16702	0.8
147.11710	4.2
149.09557	1.6
149.13263	2.1
155.08585	1.5
155.10687	3.5
157.10159	2.4
159.11662	4.5
161.13275	2.1
163.06076	2.1
163.11172	2.9
163.14795	0.7
167.08507	1.1
169.10139	1.5
169.12296	1.8
171.10271	0.8
171.11708	2.1
173.11745	9.6
173.13341	2.0
176.45419	0.8
181.12276	1.4
183.11806	1.1
185.13321	0.9
187.13269	1.3
195.11720	1.7
197.13165	1.4
213.14548	1.1
239.23706	3.0
243.15872	1.7
255.15868	5.0
259.20642	1.8
261.74686	0.8
269.17398	1.6
275.20178	1.4
287.18515	17.2
313.27338	15.9
314.27982	0.9
333.24210	1.3
341.26633	1.0
431.22974	1.1
450.74442	0.9
467.37357	75.1
468.37704	3.9
481.38925	2.6
493.39108	6.4
525.41516	100.0
526.41620	4.4
555.40063	1.3
637.48425	2.5
655.55743	0.9
669.45062	1.1
690.67639	0.8
792.84039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.8
67.05509	32.4
68.05018	2.4
69.03442	6.5
69.07076	16.7
70.06595	2.1
70.31454	1.2
70.76513	2.7
71.04996	2.9
71.72351	1.2
73.02928	3.3
79.05503	39.9
80.05011	8.5
81.03425	3.8
81.05816	1.5
81.07065	30.8
82.06584	2.4
83.04996	2.6
83.08611	8.0
84.04572	1.6
85.02913	7.5
91.03960	2.3
91.05489	44.1
93.05795	1.7
93.07050	36.0
94.06570	14.7
95.05000	6.5
95.07359	3.5
95.08615	21.4
97.02892	8.2
97.06541	3.8
97.10192	6.6
98.09704	9.5
103.05463	2.5
103.66098	1.1
105.04504	1.6
105.07042	42.9
106.06568	5.4
107.04971	3.9
107.08588	19.7
108.08125	6.5
109.02887	1.8
109.06539	2.4
109.10159	8.7
111.08038	1.3
114.09195	8.2
115.05492	2.3
117.07037	11.6
119.08586	26.9
120.08133	3.7
121.06545	3.6
121.10142	9.3
122.09687	2.1
123.04403	1.5
123.08092	2.1
123.11733	1.7
124.11267	1.4
125.09653	5.1
129.06998	6.7
131.08589	15.8
132.08133	1.7
132.10216	14.9
133.10147	19.4
134.09662	4.6
135.08087	2.3
135.11725	4.3
136.11172	1.3
137.09604	1.9
141.07022	2.7
143.08572	4.9
145.10126	13.4
146.09608	1.5
147.11691	13.2
148.11194	3.9
149.09657	2.7
149.13269	2.2
150.12816	4.2
155.08620	1.8
157.10155	5.2
159.11726	7.8
161.13304	4.8
162.12737	2.5
163.11153	2.4
164.14478	1.2
169.10124	1.8
171.11739	4.8
173.11897	1.2
173.13297	4.2
176.14317	3.5
177.12779	2.4
179.14378	1.3
183.11716	3.4
185.13280	3.5
186.12785	1.2
189.11263	2.1
197.13240	1.7
204.13896	4.3
206.15482	3.3
227.12834	3.9
229.14310	2.0
239.18140	1.3
241.19559	2.5
246.22058	2.0
256.20673	1.4
257.19150	2.9
259.20670	7.7
272.20065	2.6
274.21713	16.2
275.20068	4.9
292.22693	6.6
316.22742	1.4
333.24203	8.2
348.25317	5.2
349.23920	4.4
366.26343	6.2
504.37094	6.0
513.35809	2.1
607.43970	5.5
624.46259	100.0
625.45905	6.6
642.46411	2.2
666.46478	2.4
684.48383	18.8
702.49762	5.6
750.49536	2.5
786.51550	73.0
787.51654	5.4
846.53552	15.6
853.18866	1.6
864.54541	12.9
882.53333	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	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
67.05508	25.0
69.03414	3.1
69.06726	1.1
69.07073	14.4
70.76327	1.6
71.04981	3.5
71.08639	18.6
73.02918	3.4
73.16869	0.9
74.09718	3.1
79.05501	11.8
81.03410	2.2
81.07060	73.0
83.04993	5.4
83.08629	12.4
85.02910	12.4
85.06562	4.7
85.10182	11.6
87.04470	1.0
89.06016	1.0
90.44476	0.7
91.03970	6.4
91.05489	18.1
93.07048	7.7
95.04974	2.8
95.08612	25.7
97.02880	5.9
97.06526	3.6
97.10194	4.9
99.04462	1.6
99.08105	3.2
99.11749	1.2
101.06028	1.1
102.45054	0.7
103.07607	1.0
105.07040	23.8
107.08589	9.0
109.02856	1.4
109.06522	3.4
109.10168	6.5
111.08079	1.2
119.08580	22.4
121.10148	14.7
123.08068	3.4
123.11716	22.6
127.03900	2.2
127.07559	2.7
129.06993	1.3
131.08571	1.4
133.10133	2.1
137.09569	0.8
137.13261	2.8
145.04955	3.1
147.11697	57.5
157.10136	1.7
163.06020	3.5
165.12776	20.2
175.11177	2.5
183.13806	2.6
184.07367	1.1
193.12277	1.7
204.33186	0.8
229.14429	3.0
239.23749	2.6
251.63483	0.8
257.24750	3.1
267.15927	79.7
268.16327	1.9
285.16977	93.5
286.17285	1.6
291.19601	1.4
313.27374	92.0
314.27747	2.1
331.28491	2.3
379.97723	0.8
423.90240	0.8
523.39990	100.0
524.40619	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	882.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06077	0.5
65.03921	0.7
67.05508	17.8
69.03432	3.1
69.07072	8.3
71.04988	3.5
71.08638	15.6
73.02915	3.5
79.05496	13.8
81.03422	34.2
81.07059	23.4
83.04983	8.2
83.08624	18.2
85.02911	20.8
85.03419	0.4
85.06532	1.1
85.10184	9.4
87.04439	1.0
89.06018	0.7
91.03961	6.7
91.05486	17.6
93.06488	0.6
93.07043	9.7
95.04971	14.1
95.08611	17.4
97.02399	0.5
97.02889	6.7
97.06510	2.4
97.10174	4.5
98.20746	1.2
99.04461	0.9
99.08086	0.8
101.06037	0.5
103.07553	0.8
105.04507	0.7
105.07034	12.5
107.04961	3.2
107.08582	4.8
109.06544	2.9
109.10157	7.1
111.04420	1.9
111.07394	0.5
111.08083	6.3
111.11699	0.9
113.05956	1.8
115.05446	1.1
117.06991	1.6
119.07819	0.8
119.08590	11.7
121.06485	1.4
121.10154	6.5
123.08049	2.0
123.11736	3.0
125.09602	0.8
127.03933	2.7
127.07553	0.6
129.07013	6.7
131.08583	7.0
133.06467	1.6
133.10143	7.2
137.09621	1.1
137.13223	0.7
142.07771	1.7
145.04970	3.2
145.10088	1.4
147.08023	2.0
147.11690	8.4
149.09637	4.0
151.11206	0.7
157.10132	8.3
163.06050	2.8
163.11118	0.7
165.12741	2.2
175.11201	9.2
184.07378	0.7
193.12256	27.5
194.12500	0.5
198.20825	0.5
211.13306	41.6
239.23781	1.2
253.14331	0.6
257.24686	1.4
267.15930	18.7
275.20117	0.7
285.16977	63.7
286.17368	0.6
313.27380	64.6
314.27689	1.5
319.22751	0.5
349.23590	0.6
364.47629	0.5
416.25800	0.5
462.28217	0.6
505.38864	15.3
523.39978	100.0
524.40289	4.4
544.19354	0.7
914.93127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45218	0.4
65.03955	0.5
67.05511	12.0
69.03432	2.3
69.07072	5.3
71.04998	2.1
71.08638	12.3
71.51859	0.6
73.02911	1.6
74.65607	0.4
79.05493	9.0
81.03424	26.2
81.07064	13.9
83.04982	5.3
83.08624	15.2
85.02911	13.5
85.06551	1.0
85.10193	7.4
87.04482	0.6
89.06058	1.0
91.03948	2.6
91.05486	8.2
93.07043	7.1
95.04975	10.1
95.08611	13.7
96.04504	0.7
97.02909	3.8
97.06536	2.0
97.10181	4.4
99.04478	0.6
99.11741	0.5
105.07033	9.1
107.04977	2.9
107.08599	3.7
109.02868	0.4
109.06527	1.7
109.10178	5.0
111.04433	1.3
111.08087	6.2
113.05985	0.6
117.07024	0.8
119.08586	7.2
119.09370	0.7
121.06516	1.0
121.10155	3.3
123.08105	1.1
123.11744	2.8
125.09634	0.7
125.21090	0.4
127.03880	0.6
129.07019	3.8
131.08580	4.4
133.06522	1.2
133.10135	3.8
135.11707	1.3
136.12067	0.5
137.09636	0.6
137.13300	0.7
142.07761	1.4
145.05011	0.8
145.10167	1.7
146.10432	0.8
147.08040	1.4
147.11707	6.6
149.09607	2.9
157.10135	5.5
163.06012	0.9
163.11191	2.0
165.12758	1.2
175.11197	6.7
180.08577	0.4
184.07390	0.8
193.09625	0.5
193.12253	20.0
211.13298	27.3
227.12840	2.0
228.13266	0.8
239.23795	1.0
257.24802	0.6
267.15964	8.4
275.20123	0.5
283.15402	2.1
284.15851	2.1
285.16986	25.1
286.17380	0.5
313.27393	33.1
314.27765	3.0
315.28180	0.8
377.67557	0.5
394.31839	0.6
429.21298	0.7
505.38806	7.5
521.38214	1.1
522.38507	2.1
523.39966	100.0
524.40265	3.3
629.21979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.9
65.03959	0.6
67.05160	0.2
67.05506	5.9
69.03433	3.1
69.07072	4.2
70.06600	1.5
71.04993	0.8
72.08151	0.3
73.02928	2.4
79.05499	4.5
81.03419	1.6
81.07060	5.5
83.04997	1.0
83.08606	1.3
84.08189	0.6
85.02914	3.4
86.09721	1.0
91.03970	2.1
91.05478	3.7
93.07050	3.8
95.04971	1.5
95.08609	2.6
97.02908	3.4
97.06563	0.8
97.10168	1.7
99.04452	0.6
101.02393	1.1
103.05491	0.3
105.07038	2.8
105.41518	0.3
107.04978	0.6
107.08595	2.4
109.02911	0.7
109.06511	0.5
109.10177	2.4
111.08107	0.3
115.04000	0.4
117.07076	0.9
118.11236	0.3
119.08585	2.0
121.10142	0.9
123.08128	0.4
123.11749	0.3
125.09649	0.7
127.03959	0.9
129.07010	0.5
131.08565	1.3
133.10150	1.4
135.08037	0.3
135.11749	1.2
136.07645	0.7
143.08594	0.3
145.10161	1.2
147.11731	0.6
149.09680	0.5
149.13290	0.5
157.10120	0.4
159.11757	0.9
161.13345	0.4
163.11247	0.3
169.10178	0.3
171.11694	0.3
184.07442	0.8
185.04279	0.5
201.03976	0.3
203.05428	0.5
220.48569	0.3
227.12735	0.3
229.14450	0.6
243.08437	2.7
267.09521	0.3
275.20053	0.4
310.01709	0.3
313.09140	0.4
333.20370	1.4
349.23975	0.5
351.21518	1.3
389.22961	0.7
407.24194	0.4
439.19717	1.0
444.01901	0.3
453.21103	0.8
461.08154	0.3
471.22174	0.5
520.33777	1.0
551.28308	6.0
569.29315	6.6
641.31323	0.3
682.46722	0.8
700.47522	0.4
879.50757	100.0
880.51147	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	880.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.6
67.05505	12.1
69.03397	1.6
69.06738	0.5
69.07070	6.8
69.36475	2.9
71.05013	1.6
71.08635	14.3
73.02903	1.7
77.03891	0.3
77.57793	0.3
79.05495	12.8
81.03416	1.0
81.07057	16.7
83.04977	2.0
83.08167	0.6
83.08622	10.2
85.02913	3.1
85.06501	0.5
85.10188	8.0
88.87745	0.4
89.06007	1.2
91.03954	1.7
91.05476	4.6
93.07045	19.3
94.07388	0.6
95.04958	3.3
95.08608	31.4
97.02904	3.8
97.06538	2.4
97.10161	3.0
97.86449	0.4
99.04469	2.6
99.11720	0.4
103.07575	0.9
105.07030	4.1
107.04963	5.6
107.08596	16.0
109.02863	0.7
109.06512	1.2
109.09487	0.4
109.10163	5.6
110.77344	0.4
111.00787	0.4
111.04428	0.7
111.08089	0.6
111.11677	0.4
113.06007	0.7
117.06231	0.4
117.07020	5.1
119.08576	6.1
121.06496	3.3
121.09331	0.6
121.10150	7.6
123.11703	2.1
125.05988	2.1
125.13266	0.4
127.03905	0.5
129.23672	0.4
130.07765	1.0
131.08588	0.5
133.10146	2.0
135.08061	1.3
135.11696	34.5
137.13205	1.1
139.07506	1.0
143.08508	0.9
145.04909	0.8
145.06520	0.4
145.10126	19.5
146.10454	0.4
153.12810	0.8
163.11183	43.5
164.11540	0.7
173.09596	0.5
181.12242	8.2
201.56830	0.4
209.11757	1.1
227.12790	49.3
228.13005	0.9
239.23671	1.2
257.24783	2.0
283.15405	83.9
284.15747	1.5
313.27368	84.2
314.27585	2.5
357.42886	0.4
369.25854	0.4
521.38397	100.0
522.38855	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02809	3.5
61.03145	1.0
65.03833	0.4
67.05376	5.7
67.05775	1.5
69.03291	2.6
69.06937	2.9
70.06499	0.9
71.01283	0.5
71.04906	0.7
71.52134	0.5
73.02782	3.5
79.05360	6.9
79.05851	1.2
81.03275	2.7
81.06912	6.3
81.07453	1.4
83.04855	1.3
83.05302	0.8
83.08488	1.5
84.08002	0.5
84.84956	0.5
85.02756	4.0
86.09567	1.6
91.03799	2.6
91.05333	6.1
91.05944	0.8
92.78347	0.5
93.06891	5.7
93.07552	0.9
95.04819	2.0
95.08456	4.5
95.09094	0.6
97.02741	3.9
97.06383	1.4
97.10020	1.3
99.04346	0.9
101.02210	1.8
105.06863	3.7
107.04832	0.7
107.08435	3.5
109.02728	0.7
109.06363	1.0
109.09991	1.9
117.06893	1.1
119.08415	2.8
121.06485	2.6
121.09982	1.4
123.11564	0.6
125.09531	0.9
127.03738	1.4
128.06029	0.7
129.06831	1.6
131.08398	2.0
131.09297	0.4
133.10097	2.2
135.11543	1.0
143.08527	0.6
145.09929	1.5
147.11473	2.1
149.09512	0.6
159.11523	1.4
161.13153	1.1
171.11490	2.0
184.07188	1.1
185.04111	1.1
189.11023	0.6
189.12617	0.9
201.12576	0.5
203.05067	0.6
220.20502	0.5
236.36456	0.5
240.18428	0.4
243.08412	3.8
247.12877	1.9
263.03723	0.6
274.21533	0.9
275.19901	0.5
281.17236	0.7
301.08737	1.3
315.10474	1.0
316.22409	0.8
333.20285	0.6
351.21405	4.0
354.47125	0.5
366.26456	0.5
373.11197	0.5
377.22702	0.6
391.24435	0.8
398.93295	0.5
407.23749	1.2
408.27640	0.9
413.17535	0.7
453.21161	0.9
465.21011	14.7
466.21194	0.5
499.21469	0.5
533.27380	1.5
549.26196	0.6
551.28198	2.1
569.29370	13.6
570.29498	1.0
606.94098	0.5
607.31110	0.9
613.37726	0.7
621.40485	0.5
631.38049	1.1
637.32080	0.9
641.30420	0.5
659.37396	0.7
682.46771	1.2
699.46582	1.2
705.34644	1.0
707.39777	1.0
717.47784	0.8
722.03265	0.5
723.36481	1.0
763.42365	1.7
775.42761	0.9
781.43707	4.7
793.43494	100.0
794.30530	0.7
794.44043	7.2
861.49640	14.0
862.49976	1.0
879.50543	37.0
880.50787	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	879.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.9
61.51113	2.4
65.03940	5.0
67.05509	83.8
69.03432	42.0
69.07074	29.5
69.39545	2.1
70.06593	7.6
70.46152	2.6
71.01365	4.2
71.04999	12.1
72.08163	2.9
73.02914	5.7
79.05495	100.0
81.03421	74.6
81.07063	91.3
83.04978	22.6
83.08643	17.0
84.08139	3.0
85.02911	26.2
85.06546	4.2
86.03675	2.2
86.09698	4.7
90.38527	2.4
91.05489	98.4
92.05803	2.4
93.07050	94.5
93.07639	5.1
95.01382	3.4
95.04973	32.7
95.07996	3.2
95.08605	54.9
95.09180	4.4
97.02902	37.1
97.06538	21.6
97.10175	10.7
99.04462	13.8
99.08115	4.9
101.02371	2.9
101.84944	2.4
103.05495	5.7
105.04536	3.2
105.06322	4.4
105.07038	80.0
107.04958	21.7
107.08602	40.9
109.02894	19.8
109.06547	14.3
109.10151	19.1
111.04468	7.2
111.08094	4.4
113.05997	3.5
115.05397	5.2
117.07026	34.6
119.04947	4.8
119.08591	52.8
121.06540	24.4
121.10142	19.4
122.06828	3.3
123.04469	12.1
123.08068	10.6
125.09630	7.4
127.03931	25.6
128.06218	8.2
129.07019	26.5
131.04955	3.1
131.08566	33.4
132.17926	2.7
133.06490	8.9
133.10139	38.7
135.08051	8.9
135.11720	10.8
136.07571	2.7
137.09622	2.8
141.06981	4.8
142.07793	3.9
143.08580	18.5
145.04982	2.7
145.06494	8.6
145.10120	29.9
147.08061	6.5
147.11691	36.3
149.09628	10.5
149.13297	5.2
151.11134	5.0
155.08580	7.3
157.06465	3.3
157.10159	8.4
159.08008	4.3
159.11720	16.8
161.06013	4.8
161.09615	8.5
161.13264	13.9
163.11163	7.6
167.08580	4.4
169.10187	7.5
171.08055	3.3
171.11681	27.5
173.04474	30.5
173.05864	4.7
173.09538	3.5
173.13298	11.2
175.11171	3.0
177.12779	5.9
179.08472	4.1
181.10185	4.9
183.11696	6.0
183.94650	2.3
185.09471	3.8
185.13303	6.2
187.11159	6.0
189.11182	4.0
189.12732	9.3
195.11678	2.5
195.13850	2.9
197.13272	3.9
203.14435	2.9
207.13821	17.9
211.14816	3.8
227.12764	5.9
233.15266	3.1
239.18158	3.6
247.20686	3.2
251.10191	5.0
257.19025	12.0
269.15060	5.6
269.17535	7.0
273.14777	2.8
275.20084	42.7
279.16019	4.4
281.17487	42.3
287.16473	6.3
293.21194	4.7
349.23764	20.1
361.20407	3.9
389.19455	2.5
419.24280	3.9
425.21704	5.0
435.27454	8.0
447.31277	3.0
451.26920	3.7
457.29590	6.2
459.31036	4.1
475.30597	38.5
527.37201	5.9
537.35742	5.7
555.36871	58.2
573.38074	3.8
619.34180	8.3
699.40881	7.7
717.41748	8.6
879.48956	37.7
880.48254	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	878.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.2
62.06585	1.0
64.40755	0.8
65.03934	1.4
67.05509	26.7
69.07072	9.5
69.29011	3.8
69.29436	3.5
71.04981	2.4
71.08639	13.8
72.08152	0.9
73.75576	0.8
77.03943	1.1
79.05499	34.2
81.03438	4.4
81.06587	1.7
81.07060	27.2
83.04990	8.3
83.08624	7.9
85.02895	4.6
85.06548	2.0
85.10181	6.0
91.03941	2.8
91.05489	23.6
93.07050	31.9
95.03408	0.8
95.04977	9.8
95.08615	22.2
97.02907	2.0
97.06523	2.2
97.10191	3.8
99.90463	0.8
105.04522	1.2
105.07038	16.9
107.04934	1.2
107.08605	6.9
109.06535	3.8
109.10165	7.1
111.08073	1.0
117.07012	4.0
119.08597	10.8
121.06538	1.5
121.10139	1.9
123.08093	2.7
123.11752	1.7
124.30197	0.8
127.07550	0.8
128.06207	1.5
129.07014	8.7
133.10117	5.2
143.08594	5.6
145.04944	1.1
145.10106	5.5
147.08095	1.3
147.11702	18.3
159.11668	0.9
161.09602	2.1
161.13271	4.8
164.88863	0.7
171.11705	9.7
178.88330	1.0
189.12773	4.8
207.13795	9.8
225.14799	1.2
239.23726	1.2
281.17499	86.7
282.17877	2.4
313.27362	34.0
314.27661	1.3
519.40479	100.0
520.41174	5.6
715.15387	1.0
757.02734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.9
61.03273	0.4
61.42027	0.5
65.03943	1.1
67.05511	20.8
69.03432	1.0
69.07072	8.0
69.70444	1.5
69.70842	1.3
71.04990	1.5
71.08636	11.6
72.08168	2.9
73.02917	1.0
73.06551	0.9
75.74923	0.5
79.05502	26.0
81.03418	3.3
81.07064	20.5
82.24255	0.5
83.04986	5.3
83.08633	6.4
85.02913	3.8
85.06534	1.2
85.10189	7.0
86.25429	0.6
91.03947	1.0
91.05487	19.7
93.07050	28.3
95.04974	7.2
95.08614	18.9
97.02901	1.6
97.06539	1.9
97.10188	3.7
99.08101	0.8
103.05429	0.9
105.04502	1.2
105.07042	16.4
107.04949	2.4
107.08599	7.0
109.06535	2.7
109.10162	4.5
117.07014	2.7
119.08603	10.1
121.06516	0.8
121.10159	1.7
123.08081	2.5
123.11721	1.8
127.07561	0.6
128.06200	0.6
129.07025	6.8
131.08583	0.9
133.10120	3.6
135.11732	0.7
139.02733	0.6
143.08578	4.5
145.10114	3.8
147.08089	0.9
147.11702	17.2
153.88156	0.5
161.09596	1.8
161.13269	5.7
171.11703	11.2
189.12775	4.3
207.13806	14.8
220.75409	0.5
233.85686	0.6
239.23677	1.0
257.24792	1.4
258.08981	0.7
281.17505	48.0
282.17819	1.4
296.85818	0.6
313.27386	43.1
314.27771	1.1
519.40497	100.0
520.40784	4.9
528.69122	0.6
807.25421	0.6
891.43683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	5.1
67.05508	7.1
69.03419	3.1
69.07079	3.0
70.06592	0.7
71.04996	1.3
73.02930	4.7
79.05499	5.9
81.03419	2.6
81.07066	6.0
83.05007	1.5
83.08625	1.8
85.02906	6.2
86.09736	1.0
91.03990	3.8
91.05466	5.1
93.07060	4.1
95.04980	1.1
95.08606	3.0
96.99030	0.5
97.02901	4.6
99.04464	1.0
101.02412	2.5
105.07050	2.8
107.04971	1.1
107.08608	2.5
109.02882	1.2
109.06532	0.6
109.10191	2.1
117.05587	0.6
119.08610	2.5
121.06487	0.8
121.10151	1.8
123.08100	1.0
125.09694	1.0
127.03921	2.0
129.05515	1.5
131.08588	1.3
131.41954	0.6
133.10178	2.0
135.11696	1.9
145.05075	0.6
145.10213	1.0
147.11725	1.5
159.11710	1.0
169.09827	0.7
172.71642	0.6
173.11713	0.8
180.29840	0.6
181.04816	0.8
184.07463	2.7
185.04179	3.2
196.08185	0.6
199.05835	0.8
200.87248	0.6
201.03751	1.0
223.13399	0.8
229.26216	0.7
243.08423	4.8
245.06113	0.6
259.07983	1.2
263.12656	1.0
301.08957	10.8
313.09186	0.9
315.10641	2.5
333.20416	4.3
355.13742	1.0
357.15546	1.0
359.22250	1.0
365.22931	1.2
369.15451	1.0
373.10950	3.9
373.23676	1.6
385.18414	5.5
413.18011	2.2
415.16098	1.0
429.17465	3.4
431.24332	2.2
439.19223	3.1
449.25085	0.9
453.21048	1.2
457.20181	0.8
465.21033	1.0
469.20551	2.2
477.24936	2.4
481.20627	5.1
499.21393	1.0
515.33508	1.5
535.28741	2.1
541.22656	10.1
541.30402	1.1
551.28455	11.2
561.34247	1.0
567.27692	1.0
583.30890	3.7
593.29907	1.0
610.29871	1.5
623.30542	4.5
625.31995	3.6
637.31744	1.1
651.33289	1.9
655.32422	0.7
665.34930	1.0
667.32947	1.8
693.37848	1.7
711.39429	1.0
721.33423	0.8
723.39343	3.9
749.40985	5.3
775.42249	0.9
779.40710	1.3
791.41870	37.6
792.42395	2.6
859.48529	3.1
877.49957	100.0
878.50085	8.6
904.34875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	2.1
65.03944	3.9
67.05509	100.0
68.74816	1.7
69.03426	7.9
69.06731	2.0
69.07071	29.1
69.34194	3.4
69.34599	11.8
71.04982	6.7
72.20237	1.3
79.05499	68.4
81.03429	11.2
81.07060	91.1
83.04974	8.5
83.08631	18.8
85.02919	4.0
85.06535	6.7
89.54503	1.7
91.05486	53.3
93.07047	57.9
95.04968	12.4
95.08613	39.4
96.08881	1.6
97.02879	3.8
97.06537	16.5
97.09631	1.9
97.10178	19.5
99.08096	4.0
103.05488	2.3
105.04510	2.5
105.07027	48.3
107.04960	14.0
107.07874	3.5
107.08597	53.2
109.06510	10.4
109.10154	42.5
111.08068	6.9
115.05460	2.7
116.07082	1.9
117.07011	19.7
117.47108	1.7
119.08582	34.1
121.06506	5.1
121.10143	18.4
123.08049	6.8
123.11705	5.7
125.09624	19.1
128.06245	4.4
129.05421	2.2
129.07031	11.6
131.08582	23.8
133.10127	30.2
135.08047	7.3
135.11674	15.5
137.09605	5.2
139.11162	1.5
141.06981	3.1
142.07718	1.6
143.08524	7.8
145.10118	20.5
147.08031	2.6
147.11690	17.2
149.09616	17.5
149.13289	10.9
151.11189	2.7
153.09085	2.0
155.08582	5.2
155.10649	3.7
157.10181	8.5
159.11719	18.4
161.13260	5.7
163.11162	8.4
169.10115	6.1
171.11716	3.9
173.09631	2.5
173.11729	7.1
173.13254	5.9
175.11205	2.1
177.12796	5.2
179.14304	2.5
181.10139	2.0
183.11705	3.6
185.13271	2.8
187.14822	3.3
189.11203	6.4
189.12746	1.8
195.11719	2.1
195.13753	3.1
197.13293	4.1
208.60458	1.8
216.51401	1.6
227.12767	21.9
229.14310	20.8
239.17982	4.2
241.14217	2.2
247.20465	2.1
255.15895	5.8
257.19043	12.6
269.17444	25.7
275.20062	52.6
293.21161	5.7
331.22672	4.0
348.75284	1.7
349.23773	50.3
350.69821	1.6
367.24805	7.8
399.23688	1.7
409.25934	4.4
423.27478	23.2
431.27332	2.4
445.29773	2.9
449.28983	8.6
463.30710	18.9
466.41599	1.8
497.43130	1.8
503.33728	25.9
519.32751	4.4
521.34851	2.7
525.35791	6.0
529.35138	4.7
542.59387	1.6
543.36859	37.3
561.38208	10.9
565.77112	1.7
623.43304	15.9
641.44318	8.9
800.63733	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	874.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.7
65.03950	6.2
67.05510	100.0
69.03422	6.6
69.07071	35.0
71.01349	1.8
71.04991	7.1
71.08625	1.7
72.99015	1.3
73.02896	1.6
77.03898	1.7
79.05499	74.8
80.24903	1.5
80.51893	1.5
81.03429	9.8
81.07062	92.4
81.65862	1.5
83.05001	12.1
83.08617	21.6
85.02900	5.9
85.06537	4.1
91.05487	70.3
93.07050	70.8
94.07378	2.1
95.04973	11.6
95.08613	46.3
97.02896	5.0
97.06549	15.8
97.10162	8.1
99.04443	2.5
99.08091	3.4
103.05481	2.8
105.04529	2.2
105.07040	67.4
107.04968	8.9
107.08598	42.5
108.08829	1.6
109.02853	2.0
109.06509	8.7
109.10165	35.1
111.08100	8.4
113.49458	1.5
115.05470	5.3
117.07027	26.7
119.08595	47.4
121.06518	7.2
121.10155	27.2
123.08067	5.7
123.11723	7.1
124.00700	1.6
125.09648	8.3
127.03899	3.0
127.07557	1.8
129.05559	1.7
129.07013	13.7
130.07860	1.7
131.08577	35.0
133.06541	3.4
133.10130	36.0
134.10435	2.2
135.08075	8.5
135.11690	19.7
137.09662	3.7
139.11163	3.1
141.07033	3.5
143.08585	13.7
145.06517	2.1
145.10150	25.2
145.11250	1.4
147.07953	4.1
147.11702	22.1
149.09622	12.8
149.13274	15.0
151.11208	1.8
155.08549	6.7
155.10593	2.1
157.10110	12.9
159.11713	24.7
159.91844	1.9
161.09665	3.2
161.13309	9.6
163.11116	7.8
165.12694	3.2
167.08632	2.7
169.10129	8.3
171.10249	2.9
171.11664	13.5
173.11882	2.8
173.13278	11.9
175.11147	2.9
175.14890	3.1
177.12788	6.7
179.14369	2.3
181.10106	3.0
183.11714	8.3
184.07330	2.6
185.13263	6.6
187.11220	2.5
187.14943	2.1
189.11238	3.6
189.12796	2.2
195.11748	3.2
195.13846	6.5
197.13223	4.1
197.54567	1.7
199.14799	2.8
203.14359	1.9
211.14798	3.3
213.13034	2.1
227.12799	9.6
229.14383	12.0
229.19505	2.0
239.17932	4.3
241.19528	6.5
257.18954	9.4
259.20624	18.8
267.16013	2.6
269.17484	34.9
273.18503	3.8
275.20090	41.5
277.21494	1.8
291.19650	2.0
293.21042	5.3
315.23154	1.9
333.24304	17.9
349.23758	23.3
365.23703	1.9
365.88574	1.6
367.24606	8.9
423.27115	9.3
431.28183	1.9
435.32745	2.7
463.30432	10.1
487.34058	3.6
505.34946	2.7
513.35382	4.1
527.37524	18.0
543.36877	13.3
545.38550	2.2
561.37811	5.6
607.43488	6.4
623.43030	2.7
625.44739	10.6
875.46704	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	872.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	2.1
65.03944	4.9
67.05509	100.0
68.05812	1.8
69.03441	3.7
69.07074	25.5
71.04996	6.5
71.08653	2.6
73.02920	4.8
73.90365	1.4
79.05498	65.4
81.03436	12.2
81.07062	64.1
83.04978	7.8
83.08631	16.5
85.02919	9.3
85.06557	3.6
87.04478	3.2
91.05489	79.9
93.06480	3.6
93.07050	58.2
95.04989	10.7
95.08613	37.1
97.02892	4.9
97.06525	7.4
97.10170	13.2
99.08098	4.8
103.05499	2.2
105.07038	71.1
107.05003	3.7
107.08598	33.7
109.06539	6.8
109.10165	59.5
109.10931	1.9
111.08083	5.5
115.05439	2.6
117.07023	24.9
119.08588	44.2
121.06503	2.5
121.10161	25.1
123.08067	3.9
123.11736	3.2
125.09647	16.8
128.06229	4.4
128.99210	1.6
129.05501	3.8
129.07014	13.9
130.07826	1.9
131.08575	28.4
133.06569	2.5
133.10143	42.3
135.08076	2.8
135.11717	17.5
137.09570	4.1
139.11160	1.7
141.06985	2.4
142.07727	2.4
143.08604	10.5
144.09352	2.1
145.10139	23.6
147.08075	2.6
147.11705	30.0
149.09633	5.6
149.13286	8.7
151.11189	2.2
153.12769	1.8
155.08601	3.4
155.10666	4.8
157.10130	13.8
159.08112	2.3
159.11670	17.6
161.09561	2.3
161.13281	19.6
163.11220	10.0
163.14832	2.9
169.10178	4.6
171.11694	13.2
173.09590	2.2
173.11737	10.1
173.13278	11.0
175.11145	2.6
175.14845	6.9
177.12691	2.3
179.14232	2.1
181.10089	1.6
181.12189	1.6
183.11673	3.6
185.13232	9.4
187.11105	2.2
187.14891	4.0
189.11151	2.2
197.13321	3.6
199.13341	4.3
199.14824	5.9
203.14378	1.8
209.11729	3.2
211.13084	1.9
213.16544	2.9
217.14291	2.3
227.12782	5.9
229.14359	33.5
229.19550	2.2
231.17511	2.1
231.21098	3.9
241.19508	17.9
259.20596	53.4
261.21991	2.7
267.15942	3.7
275.19925	9.6
277.21860	4.0
301.16315	8.0
301.21826	2.2
315.23224	4.8
325.21674	3.1
333.24243	43.6
334.24466	2.7
349.23792	4.5
351.25604	2.0
399.23840	13.9
413.31363	2.0
487.34106	5.6
504.34399	1.9
505.35281	3.3
541.35059	2.8
543.36420	2.0
559.36267	4.6
630.83185	2.0
657.43463	3.4
675.44946	2.2
872.50360	2.1
873.53058	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	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.4
65.03955	6.6
67.05509	100.0
69.03432	12.5
69.07072	63.5
70.06598	1.9
71.04997	10.1
77.03906	1.3
78.56968	1.2
79.05498	70.7
81.03416	19.2
81.07060	86.3
83.04986	14.9
83.08624	19.2
84.39682	1.4
85.02898	9.1
85.06522	6.2
91.05486	80.4
93.07050	63.1
93.07639	3.1
95.04975	18.2
95.08610	54.6
97.02911	6.9
97.06538	26.5
97.10177	17.0
99.04523	1.6
99.08097	3.2
103.05472	3.0
105.04520	3.4
105.07038	54.8
107.04954	17.1
107.08596	43.7
107.09306	2.6
109.02872	3.0
109.06519	8.1
109.10162	37.7
111.04435	1.6
111.08099	7.2
113.09675	2.5
115.05460	4.0
116.07102	2.6
117.07007	25.4
119.08588	40.1
121.06512	7.3
121.10138	20.4
123.08090	8.6
123.11720	5.1
125.09641	17.3
127.03924	4.5
128.06226	3.4
129.05501	3.2
129.07033	9.2
130.07787	1.6
131.08578	28.8
133.06500	4.0
133.10138	35.4
135.08073	7.1
135.11679	19.6
137.09636	14.6
137.99139	1.5
139.11232	2.6
141.06972	3.9
142.07753	2.5
143.08562	7.8
145.06480	2.9
145.10136	27.2
147.08110	2.4
147.11688	19.7
149.09631	29.0
149.13290	11.8
151.11200	5.4
153.09067	2.3
154.07870	1.6
155.08551	4.3
155.10693	3.5
157.10086	11.8
159.08046	2.8
159.11693	22.8
161.09612	3.5
161.13258	10.2
163.11180	12.3
165.09109	2.4
165.12857	2.7
167.08536	2.0
169.10118	6.3
171.10265	3.0
171.11703	7.1
173.09665	2.4
173.11795	5.9
173.13281	9.2
175.11183	3.4
175.14799	2.0
177.12743	5.6
179.14331	6.6
181.10133	2.9
183.11707	6.0
185.13292	4.1
187.11208	2.2
187.14882	2.5
189.11237	9.3
189.12758	2.6
191.14355	2.0
193.12326	1.8
195.13812	5.1
197.13313	5.0
199.13226	1.8
199.14902	2.4
201.12717	1.6
205.12375	2.3
209.13126	1.7
211.13193	2.9
211.15054	1.4
215.17889	1.5
218.52466	1.4
223.13141	2.7
227.12759	13.7
227.17871	2.1
229.14287	11.5
229.19505	3.3
239.17970	4.6
241.19690	1.4
245.19150	2.3
247.20540	3.5
253.18158	1.6
255.15971	4.2
257.19043	12.5
259.20547	3.0
260.40775	1.7
267.16016	3.2
269.17474	14.3
273.18582	4.4
275.20093	42.9
291.19559	8.5
293.21118	2.8
297.12820	1.4
302.48483	1.4
303.22925	1.5
313.21384	1.9
321.24344	1.9
331.22684	3.9
349.23749	40.6
350.24301	1.4
355.50558	1.6
365.23196	4.4
367.24789	2.3
375.07806	1.5
383.24136	2.1
409.25949	2.5
413.33835	1.4
423.27402	4.1
435.32715	1.5
445.29495	2.0
503.33603	4.2
527.37280	5.4
527.55963	1.4
529.35254	4.0
543.36951	11.9
623.43115	11.6
641.43292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.6
65.03942	6.1
67.05509	100.0
69.03434	12.6
69.07073	65.5
70.06577	2.7
71.04993	11.9
73.02923	3.9
75.86122	1.5
77.03909	1.6
79.05497	77.2
79.57565	1.5
80.05839	1.6
81.03430	17.3
81.07063	89.2
83.04983	17.2
83.08628	16.9
85.02913	10.5
85.06546	6.1
91.05485	79.9
92.05788	2.2
93.07050	71.7
95.04974	20.0
95.08612	50.8
97.02894	6.7
97.06543	37.1
97.10162	14.7
98.20804	4.6
99.04454	2.4
99.08094	5.4
100.24639	1.6
103.05457	4.0
105.04504	2.8
105.07039	62.3
107.04955	19.3
107.08601	52.9
109.02886	3.4
109.06536	10.1
109.10169	35.4
111.04429	3.0
111.08102	8.8
113.06000	2.2
113.09641	2.0
115.05489	4.4
115.07566	4.4
117.07024	28.1
119.06145	1.9
119.08589	43.8
121.06516	7.6
121.09334	2.3
121.10162	26.6
123.08071	7.6
123.11701	4.9
125.09625	17.9
127.03934	5.9
128.06230	3.5
129.05496	3.6
129.07024	15.5
130.07840	1.9
131.08582	34.0
133.06456	3.3
133.10132	39.1
135.08069	9.1
135.11690	19.1
137.09654	13.3
141.07024	7.5
143.08548	11.0
145.06491	3.7
145.10127	27.0
147.08070	3.0
147.11703	24.6
149.09627	27.7
149.13283	9.5
151.11195	6.6
153.09055	2.8
155.08545	6.3
155.10667	3.5
157.06517	2.3
157.10141	12.5
159.08080	2.2
159.11685	22.5
161.09616	5.2
161.13286	12.5
163.11177	15.5
165.09143	2.2
167.08554	3.1
169.10159	7.5
171.10265	3.5
171.11713	10.9
173.04536	2.3
173.11754	6.4
173.13289	9.4
175.11159	5.3
175.14876	2.4
177.12779	7.5
179.14351	6.2
181.10110	3.3
181.12219	3.2
183.11729	8.7
185.13271	6.6
187.11229	3.7
187.14819	3.2
189.11226	7.7
189.12758	5.0
189.16452	1.9
193.12274	3.0
195.11778	2.7
195.13756	5.0
197.13220	5.6
199.13275	2.9
199.14908	3.6
203.14383	1.9
207.11848	2.4
207.13821	2.5
213.16458	3.0
223.13103	2.4
227.12756	13.3
229.14279	8.6
229.19577	4.3
233.15469	2.9
235.14696	2.3
235.17012	2.0
235.59453	1.7
239.17975	5.6
240.08945	2.0
241.19620	2.6
247.20549	3.2
253.18117	2.2
255.15862	5.2
257.19003	13.9
259.20599	4.2
259.53217	1.6
259.70001	1.9
259.72653	1.8
267.15979	4.0
269.17523	12.5
272.20172	2.8
273.15784	1.8
273.18536	7.9
275.20102	46.8
291.19626	11.8
293.21213	5.6
333.24237	7.1
349.19800	2.8
349.23792	38.5
349.28091	2.2
354.57730	1.8
365.23389	5.1
367.24838	2.3
409.26096	2.9
503.33533	3.7
527.37219	7.6
529.35132	4.0
543.36884	8.5
549.38263	2.1
607.43188	4.7
623.43359	14.5
641.44305	3.7
752.72485	2.0
907.11572	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	872.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77181	1.6
61.02928	4.3
65.03936	4.4
65.73190	1.7
67.05508	100.0
68.05033	1.8
68.05842	2.0
69.03423	11.6
69.07071	66.1
69.25141	16.7
71.01336	2.1
71.04988	7.5
71.08628	1.7
73.02888	3.3
79.05498	83.6
81.03420	15.4
81.07061	85.7
82.07361	2.4
83.04992	16.4
83.08624	20.5
85.02905	9.6
85.06538	5.6
91.05486	94.9
93.07050	76.8
95.04975	22.7
95.08609	54.6
97.02873	9.0
97.06532	21.5
97.10175	13.1
98.09680	2.5
98.21500	4.0
99.04411	2.1
99.08087	6.0
100.43151	1.7
103.05482	1.9
105.04526	3.0
105.07031	73.9
107.04948	13.7
107.08596	40.7
109.02874	2.1
109.06507	9.1
109.10162	32.3
111.08075	5.5
115.05463	4.5
117.07026	29.6
119.04855	1.8
119.08583	49.6
121.06525	6.8
121.10149	21.3
123.08073	7.3
123.11703	3.8
125.09657	10.6
127.03917	6.3
128.06224	3.8
129.05492	6.3
129.07007	17.7
129.44981	1.9
131.08572	33.3
133.06476	3.6
133.10138	40.2
135.08023	7.4
135.11702	17.7
137.09650	8.2
137.76543	1.8
139.11182	2.4
141.06992	5.4
142.07782	3.4
143.08546	15.7
144.09386	1.9
145.05003	1.8
145.06447	2.6
145.10120	30.2
147.08017	4.2
147.11702	23.7
149.09630	22.4
149.13240	9.7
150.73570	1.8
151.11148	4.2
153.09082	2.0
154.07837	2.0
155.08563	6.9
157.08881	2.6
157.10115	14.2
159.08080	1.9
159.11702	24.3
161.09633	3.9
161.13251	12.1
163.11156	10.0
167.08542	3.2
169.10115	7.6
171.10260	3.9
171.11702	15.2
173.09550	1.7
173.11876	3.1
173.13239	10.4
173.81929	1.8
175.11206	4.0
175.14777	2.9
177.12770	5.6
179.14467	3.7
181.10106	4.6
183.11705	10.2
185.09662	1.7
185.13278	7.5
187.11288	3.4
187.14841	3.7
189.11230	3.3
189.12756	3.0
193.10089	2.3
193.12349	2.2
195.11807	2.9
195.13676	3.0
197.13229	4.9
199.14859	4.8
201.12810	2.4
201.16293	2.0
209.13329	3.1
211.14822	3.5
213.16479	2.6
215.17891	1.8
221.13347	1.9
223.13220	2.6
227.12762	7.0
229.14383	6.6
229.19432	3.4
235.14911	2.1
237.16312	2.3
239.17940	3.5
241.19472	4.3
253.14256	2.4
253.18121	2.2
257.18872	9.7
259.20615	11.9
269.17508	6.3
273.18515	5.0
275.20102	30.1
283.20401	1.9
291.19501	9.0
293.21127	4.9
333.24243	14.1
349.23822	22.4
365.23529	2.5
421.30914	2.7
431.28195	2.2
445.30246	1.9
513.35736	21.3
527.37048	3.6
543.36755	4.9
597.44910	2.4
607.43085	8.3
625.44940	8.7
641.43494	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	870.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.3
61.21502	1.3
63.71281	1.2
65.03934	7.5
67.05510	95.4
67.14749	1.2
69.03430	12.5
69.07071	50.1
69.23492	9.1
69.23898	2.6
71.05000	25.2
71.08636	2.9
73.02915	3.3
73.06572	3.0
77.03930	1.9
79.05500	81.9
81.03425	16.3
81.07062	100.0
83.04537	2.2
83.04988	17.1
83.08629	16.0
85.02914	11.5
85.06532	4.7
91.03962	2.9
91.05488	79.4
92.05800	1.3
93.07050	77.6
95.04978	14.6
95.08611	58.0
97.02898	12.3
97.06533	20.3
97.10172	7.4
98.21511	3.1
99.04439	2.9
99.08109	10.9
103.05466	2.7
105.04518	3.3
105.07040	70.5
107.04966	10.8
107.08604	45.9
109.02858	2.7
109.06522	8.2
109.10162	23.8
110.10490	1.7
111.04443	2.4
111.08093	8.5
113.09650	4.8
115.05434	5.5
115.06165	1.3
116.06243	2.6
117.07024	31.1
119.04989	1.3
119.08590	53.4
121.06511	5.6
121.10152	26.9
123.08050	7.9
123.11741	6.8
125.09644	6.8
127.03911	5.1
128.06219	5.6
129.05492	4.2
129.07013	16.4
130.07814	2.2
131.08569	38.4
133.06483	2.1
133.10135	41.7
134.10500	1.7
135.08057	7.2
135.11700	20.7
137.06070	1.3
137.09648	3.8
139.11179	2.4
141.06970	7.1
142.07771	3.2
143.08578	17.8
144.09241	1.5
145.04947	1.7
145.06471	3.0
145.09042	2.5
145.10136	29.8
145.42697	1.2
147.08043	3.0
147.11696	27.1
149.09637	17.5
149.13255	10.2
151.11221	6.7
153.09137	1.5
154.07669	1.7
155.08559	7.9
156.09225	2.2
157.10139	17.4
159.08096	2.6
159.11690	24.6
161.09666	5.9
161.13264	11.7
163.11165	11.3
163.14854	2.6
165.12747	3.2
167.08533	3.4
168.09401	1.5
169.10130	9.3
171.11685	14.7
173.04506	2.1
173.09619	2.1
173.13263	12.7
175.11238	4.4
175.14842	3.0
177.12724	6.2
179.14322	4.8
181.10138	4.1
181.12097	1.3
183.11681	7.3
185.13251	8.7
187.11261	3.2
187.14830	5.6
189.11179	2.2
189.12761	3.0
191.14284	2.0
193.10188	2.1
193.12140	1.2
195.11703	4.7
195.13831	4.3
197.09631	1.2
197.13324	7.6
199.14801	6.0
201.12808	1.6
205.12257	1.6
207.11809	2.2
207.13751	1.7
209.13263	5.1
211.14902	2.9
213.16458	3.3
217.15965	1.4
221.13329	3.0
223.14926	1.6
227.12779	2.5
227.18077	1.8
229.14311	2.1
229.19513	3.7
231.21094	1.5
233.15430	1.5
239.14392	1.5
239.18021	4.3
241.19597	3.6
247.14861	1.4
247.20682	2.7
251.16144	1.5
253.14391	5.1
253.18021	1.6
254.14714	3.5
257.19189	8.7
259.20605	11.7
267.16040	2.9
269.17459	10.1
275.17334	2.3
275.20090	26.0
277.21722	2.4
281.17462	1.6
289.21454	1.7
293.21069	2.6
299.23453	1.2
303.23352	1.8
313.21613	3.0
315.23169	3.7
321.24374	1.9
323.23734	2.2
325.21661	1.5
325.25272	1.4
331.22900	1.6
333.24283	16.1
335.25717	5.2
337.25430	1.1
339.23148	1.5
349.23795	16.8
381.26239	1.4
394.22864	1.2
397.15002	1.2
417.31473	1.6
421.30826	1.7
463.30750	2.9
469.65231	1.3
487.34253	1.4
511.39758	2.3
513.35858	10.2
515.38019	2.6
517.38837	2.2
525.35425	1.8
527.37421	13.9
543.36890	7.8
557.41583	3.9
607.43542	8.9
610.45361	1.7
625.44800	7.9
637.48407	2.7
639.46277	3.4
673.43732	2.4
870.49005	1.8
871.51312	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	870.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.0
65.03932	5.2
67.05507	100.0
69.03430	12.7
69.07072	43.5
69.94282	6.6
70.06612	1.5
71.01357	2.4
71.04995	23.4
73.02940	2.1
73.06545	3.2
77.03922	3.0
79.05495	78.5
81.03416	20.5
81.07058	99.6
83.04981	19.1
83.08623	24.3
84.08184	2.2
85.02910	11.3
85.06530	6.1
85.10204	1.9
91.03945	2.1
91.05482	79.2
92.05814	2.5
93.07046	85.3
93.07639	4.1
95.04977	21.6
95.08607	52.0
97.02905	8.5
97.06533	21.3
97.10159	9.0
99.04436	3.1
99.08083	10.9
103.05451	2.7
105.04523	3.7
105.07032	68.0
107.04966	16.1
107.08601	46.6
109.02835	3.4
109.06528	11.6
109.10152	24.7
111.08070	8.5
113.06011	3.3
113.09646	4.4
115.05448	4.7
116.58195	1.6
117.06238	2.6
117.07024	31.7
119.08586	46.6
121.06477	9.9
121.10155	24.5
123.04443	1.9
123.08062	7.4
123.11703	7.4
125.09573	8.0
127.03944	2.7
128.06187	3.9
129.05499	2.6
129.07010	13.0
130.07784	2.8
130.08647	2.9
131.08578	38.6
133.06514	2.4
133.10136	40.2
134.48463	1.7
135.08041	8.2
135.11699	19.0
137.09608	6.2
141.06963	5.8
142.07767	3.7
143.08548	13.1
145.06442	2.7
145.10133	29.9
147.08022	3.7
147.11681	23.3
149.09605	22.8
149.13255	13.4
151.11171	7.5
154.07663	1.8
155.08534	6.8
157.10144	12.4
157.48180	1.6
159.08008	2.4
159.11688	27.0
161.09595	4.0
161.13272	7.7
163.11174	17.6
165.12703	2.9
167.08543	3.4
169.10104	9.5
171.11690	10.9
173.04475	4.7
173.09674	3.9
173.11832	2.9
173.13277	10.2
175.11192	3.9
175.14893	2.1
177.12747	6.7
179.14305	5.9
181.10146	3.7
181.12140	1.6
183.11700	6.6
184.02638	2.0
184.07394	1.7
185.13303	4.0
187.11195	4.9
187.14929	3.2
189.11212	3.8
189.12753	1.9
191.10683	1.9
191.14281	1.9
193.10210	2.0
195.11757	3.8
195.13802	6.7
197.13234	6.0
199.13142	1.7
199.14870	2.9
199.93073	1.6
205.61916	1.7
209.13249	2.0
217.15970	1.8
223.14905	2.0
227.12720	8.5
229.14272	4.7
229.19438	2.3
239.17955	3.9
240.61182	1.7
241.10690	2.1
245.13568	2.0
247.20567	4.1
251.16391	2.4
253.14374	6.1
255.15851	12.7
257.19006	13.1
259.20535	2.7
267.15863	6.4
269.17471	33.5
273.18399	2.8
275.20065	54.6
276.20502	2.2
291.19449	3.1
293.21045	5.5
303.19070	1.7
313.21524	3.1
315.23187	2.4
321.24292	2.7
331.22586	2.0
333.24231	2.9
335.26062	4.4
349.23764	44.2
350.23877	1.9
365.23239	2.4
367.24805	5.3
367.35938	4.4
368.35931	3.1
381.26215	3.5
413.21725	2.0
423.27258	2.6
431.28000	4.1
433.30713	3.7
445.29578	5.1
449.29037	13.1
451.31891	3.2
463.30624	15.5
467.27481	1.8
503.33890	3.0
515.37305	3.4
525.35992	7.9
529.35089	11.1
543.36884	44.9
561.37616	6.9
575.39520	3.6
593.32440	2.1
623.43243	8.2
641.43420	4.0
673.45947	2.4
705.42194	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	870.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.7
66.59843	1.3
67.05507	78.0
69.03432	13.0
69.07071	54.2
70.24331	1.4
71.01328	2.0
71.04974	5.6
71.08634	1.4
71.51083	2.2
73.02901	2.3
77.03939	1.7
79.05496	58.3
81.03419	15.0
81.06589	3.1
81.07061	58.5
83.04985	14.5
83.08624	17.7
84.08131	2.5
85.02898	5.1
85.06532	5.7
91.05485	64.5
92.05813	1.5
93.07048	50.6
95.04974	24.8
95.08608	40.3
97.02891	10.8
97.06537	21.0
97.10173	13.6
99.08085	2.3
103.05474	2.3
105.04529	3.0
105.07037	46.6
105.29377	1.5
107.04964	29.2
107.08599	32.6
109.02850	1.9
109.06500	10.4
109.10168	29.4
111.04437	3.9
111.08096	6.0
113.06001	2.8
115.05440	4.8
117.07030	21.8
119.04899	2.3
119.08595	32.2
121.06518	9.3
121.10124	15.9
122.07261	2.6
123.04436	4.8
123.08086	9.7
123.11684	2.6
125.09666	12.3
127.08617	1.6
128.06232	3.9
129.05476	2.0
129.06993	10.7
131.08594	24.6
133.06537	9.7
133.10133	21.8
134.07237	2.4
135.08055	11.6
135.11674	12.1
137.09612	12.1
141.06969	4.0
142.07777	1.7
143.08591	10.4
145.06448	5.1
145.10141	21.2
147.08087	12.4
147.11726	11.8
149.09647	16.3
149.13290	7.1
151.11171	4.3
153.09097	2.6
155.08598	3.1
155.10570	2.3
157.10123	8.6
159.08031	3.3
159.11697	11.3
161.09618	6.8
161.13284	5.2
163.11200	9.8
165.09131	2.5
165.12910	1.9
169.10153	4.9
171.10284	1.5
171.11682	6.3
173.09526	2.2
173.11760	4.0
173.13268	7.0
175.11186	6.3
177.12721	6.7
179.14272	5.4
183.11606	2.6
184.07242	2.1
185.13264	5.1
187.11108	3.3
189.11261	7.5
189.12721	2.4
195.11771	2.2
195.13779	4.2
197.13361	2.0
205.12247	3.0
211.13278	1.6
223.13287	19.1
227.12712	6.8
229.14400	5.0
229.19598	1.5
233.15421	2.8
234.03543	1.4
239.18048	3.4
245.19070	3.1
249.14972	2.1
253.14339	2.3
255.17560	1.8
257.16510	1.5
257.18881	7.8
259.20602	2.7
267.15683	1.7
269.17480	5.2
271.16870	2.4
273.18503	19.8
275.20047	24.4
289.18021	3.3
290.18680	2.1
291.19550	100.0
292.19928	3.2
293.21313	2.3
307.18787	1.6
331.22968	1.9
333.24362	3.1
349.23785	26.6
365.23239	25.8
381.22684	5.2
383.24139	1.6
461.28680	3.9
501.32056	2.8
519.33020	6.2
543.36792	8.2
575.35992	2.0
639.42725	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.9
62.06091	3.0
65.03939	6.0
67.05509	100.0
69.03433	15.7
69.07072	58.4
71.05004	13.4
71.08611	1.9
71.51856	2.4
73.02930	3.5
77.03922	2.7
79.05496	91.3
81.03416	16.2
81.07060	94.4
82.07400	2.7
83.04978	14.9
83.08620	24.7
85.02911	9.2
85.06562	5.6
86.58102	1.7
91.05487	95.7
92.05798	2.1
93.07047	83.4
94.07391	3.6
95.04966	18.5
95.08611	71.5
97.02884	11.5
97.06535	21.9
97.10151	14.0
99.04459	2.7
99.08095	5.2
103.05518	2.7
105.04517	2.8
105.07035	80.9
107.04948	12.5
107.08601	54.9
108.99637	1.8
109.02889	3.7
109.06506	8.2
109.10166	29.7
111.08102	9.2
115.05482	3.8
115.91888	2.0
116.06191	1.9
117.07030	30.0
119.08588	56.4
121.06522	7.7
121.10146	32.7
123.08091	8.1
123.11707	6.3
125.09641	9.8
127.03918	4.6
128.06224	6.5
129.06995	20.0
131.08578	43.7
133.06479	5.2
133.10135	47.9
135.08066	9.9
135.11699	18.9
137.09666	4.8
141.06996	5.1
142.07770	2.8
143.08580	17.3
145.06468	2.7
145.10121	36.7
147.08066	3.8
147.11707	28.6
149.09628	14.4
149.13277	8.5
151.11156	4.8
155.08531	7.1
157.10124	17.7
159.11711	24.2
161.09624	3.5
161.13249	14.5
163.11169	9.2
163.14818	4.1
167.08543	3.9
168.09453	2.4
168.28500	1.9
169.10136	11.3
171.11676	16.8
173.09618	4.6
173.13290	13.7
175.11128	4.9
175.14839	7.6
177.12802	3.0
179.10670	2.0
179.14359	3.5
181.10143	3.7
183.11676	10.4
185.13228	9.4
187.14893	5.4
189.11206	4.5
189.12759	2.1
195.11726	4.5
197.13239	7.7
199.14841	6.9
201.16481	3.0
209.13408	4.5
211.14873	5.5
213.16267	3.2
223.13145	9.8
227.12663	3.1
228.95160	2.1
229.19576	2.6
231.21049	3.4
237.16338	3.0
239.17953	3.6
241.19588	9.4
245.18965	2.8
247.20615	2.4
249.37090	2.1
253.14288	4.2
257.19028	8.7
259.20618	23.6
269.17395	2.8
271.15222	2.7
273.18475	9.8
275.20084	26.2
277.21686	3.2
283.19037	4.3
285.22159	3.3
291.19562	53.2
293.21408	3.1
297.20648	7.6
303.23264	12.1
313.27307	5.1
315.23117	4.1
333.24265	37.5
335.25854	4.1
349.23761	17.5
365.23251	25.6
377.27042	4.9
381.27338	2.1
395.28152	3.5
413.73328	2.2
463.35883	3.2
509.37976	2.7
515.36359	2.5
541.39050	16.5
543.36194	2.4
545.34766	2.6
555.40497	27.4
559.36310	26.9
573.41901	2.4
625.47168	3.1
635.46613	17.0
639.42682	25.4
653.47827	16.0
657.43335	2.4
671.44452	4.8
699.45007	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	868.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	4.0
67.05508	100.0
69.03426	5.8
69.07070	43.4
69.25909	23.4
71.04978	6.9
71.08640	3.5
79.05497	86.9
81.03413	8.2
81.07063	95.3
82.07368	3.1
83.04977	9.9
83.08619	22.5
85.02894	5.2
85.06541	4.0
91.05486	96.1
92.05839	4.0
93.07049	84.9
94.07361	3.9
95.04977	11.5
95.08610	76.5
97.02898	7.9
97.06528	12.5
97.10184	7.9
99.08086	4.7
103.05403	2.9
105.04556	4.2
105.07037	83.6
107.04970	5.8
107.08601	45.1
109.06557	7.9
109.10159	28.8
111.08076	6.4
115.05452	4.5
116.03907	2.9
117.07026	39.2
119.08582	61.5
121.06511	4.0
121.10156	30.5
123.08051	4.0
123.11724	11.0
125.09628	6.4
127.03909	6.5
128.06250	5.9
129.05498	3.7
129.07039	18.8
131.08566	44.3
133.10138	46.7
135.11691	19.9
138.75223	3.0
141.06984	6.7
143.08562	23.3
145.10132	35.7
147.11703	23.0
149.13272	9.4
151.11247	3.3
155.08534	13.5
156.09323	4.4
157.10120	23.2
159.11728	29.0
161.13275	13.2
163.11180	4.6
167.08624	8.1
168.09464	3.0
169.10202	14.2
171.11642	16.2
173.13295	14.2
175.14848	6.1
181.10136	7.4
183.11688	11.1
185.13266	13.0
187.14783	9.1
189.16412	3.3
195.11673	7.5
197.13307	8.7
198.13667	3.1
199.14876	10.2
206.90050	3.1
207.11871	3.5
209.13348	7.1
211.14893	5.4
213.16377	6.0
216.95273	3.4
223.14868	4.5
225.16508	3.7
237.16409	3.5
241.19554	4.0
259.20581	9.1
265.18906	2.8
269.17560	5.2
275.20160	3.3
281.17502	4.6
287.23737	12.7
291.19531	5.9
313.85767	3.3
327.26825	3.3
333.24191	10.1
361.27484	5.9
375.24631	3.0
379.29129	3.8
463.35913	4.8
555.40479	9.9
635.46088	4.7
637.48285	34.6
653.47430	11.8
669.80096	3.1
762.94720	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	867.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75469	0.5
65.03925	2.1
67.05488	1.1
68.99789	6.4
69.03423	0.5
69.86259	2.3
71.04963	0.6
77.03944	0.8
79.05483	1.4
81.03416	4.1
85.02898	1.4
87.82358	0.4
89.03921	2.4
91.05471	0.8
93.03419	2.9
95.04964	2.1
98.73045	0.4
99.04452	1.5
103.05460	0.9
105.03385	1.3
105.07014	0.7
107.04962	6.2
109.02880	5.4
111.00812	2.7
111.04452	8.4
115.05459	1.0
117.03384	1.1
117.07027	0.6
119.04934	1.6
121.02885	1.7
123.04430	56.5
124.04772	0.6
124.89798	0.5
127.03918	100.0
129.07013	0.5
129.16684	0.5
131.04938	2.5
135.04414	53.3
137.02339	3.8
137.03320	0.6
139.03903	43.4
140.04182	0.7
141.06995	1.3
143.04924	1.3
145.02867	0.6
145.06570	0.9
147.04414	7.9
149.02335	5.3
149.05963	2.7
151.00597	0.4
151.03900	12.8
153.07039	0.5
155.04895	1.2
157.06502	1.3
159.04443	4.7
161.05984	3.7
163.03908	45.0
165.05467	4.4
165.06778	0.7
167.03398	6.7
167.04700	0.5
169.06552	1.6
171.04466	0.5
173.05989	5.1
175.03894	3.3
175.07603	0.6
177.05447	4.5
179.03381	5.4
181.04980	2.3
181.06436	0.9
183.04405	2.3
185.05933	1.3
187.03833	7.5
187.07533	1.0
189.01942	0.4
189.05525	2.9
191.03369	7.9
193.04929	2.6
197.06006	4.8
201.05489	7.6
202.06354	0.6
203.03395	8.1
203.07059	2.0
205.04906	3.3
207.06549	1.3
213.05498	2.7
215.03441	2.3
215.06987	3.3
217.05005	2.8
219.06523	1.2
225.05460	2.5
227.07069	0.9
228.04265	0.7
229.04955	9.2
231.06438	2.5
233.04404	4.4
237.05470	1.1
241.04959	2.4
243.06485	6.0
245.04457	12.4
247.06017	30.3
251.05463	0.5
253.05011	1.5
255.06563	2.0
257.04459	16.3
258.05258	1.0
259.05997	9.0
261.07660	2.6
265.04913	0.8
269.04373	4.2
271.06021	24.5
273.07608	1.9
275.05478	11.2
281.04431	1.8
283.05963	6.2
285.04016	0.7
285.07712	1.2
287.02258	0.7
287.02902	0.4
287.05481	18.6
289.07059	27.9
290.07489	0.5
291.08646	17.8
291.56396	0.5
295.05991	1.8
297.04034	0.9
297.07410	0.5
299.05511	7.6
301.07047	11.4
303.08621	2.8
307.06104	0.8
309.03946	4.7
311.05432	1.1
313.07101	1.8
317.06647	1.0
321.07593	0.5
323.05646	1.2
325.07147	0.7
329.06647	1.5
333.09827	0.9
343.08060	0.9
353.07129	0.5
367.08246	0.6
375.05078	0.8
376.05777	0.6
377.06622	1.9
379.08139	1.5
383.08026	0.5
389.06512	0.6
391.08078	1.2
393.05960	4.0
395.07620	0.5
397.09177	0.6
401.06607	0.8
403.08469	0.4
405.05994	3.1
407.07446	3.0
409.09195	30.5
410.09409	0.8
411.10751	4.7
417.05679	0.6
419.07779	2.2
421.09323	3.3
425.08762	1.9
427.10257	19.6
428.10699	0.6
433.09119	1.4
435.11118	3.0
437.08627	1.9
439.10355	2.7
449.08713	0.9
451.10254	4.5
453.11829	2.7
469.11407	1.2
527.09760	2.1
529.11292	1.3
545.10840	5.4
548.49524	0.6
553.11554	0.7
561.13947	1.9
571.12360	1.8
577.13391	0.5
579.14923	6.2
679.13751	0.9
697.15106	2.0
699.17072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.7
68.99789	8.4
69.51845	4.3
75.41451	0.8
77.03992	0.9
79.05484	1.3
81.03413	4.8
83.04990	1.4
89.03922	2.9
91.05468	1.1
93.03418	2.4
95.04967	1.4
99.04417	1.0
103.05466	1.6
105.03388	0.8
107.04969	5.4
109.02885	4.7
111.00826	7.0
111.04436	5.9
115.05489	1.1
117.03371	1.5
117.06969	0.7
119.04964	2.7
121.02892	1.4
123.04436	62.1
124.04791	1.0
127.03926	100.0
128.77002	0.6
131.04942	2.9
135.04424	53.9
137.02373	5.0
137.03255	0.8
137.05975	1.5
139.03908	46.4
141.06985	1.5
143.04933	1.3
145.02873	1.1
145.06490	1.4
147.04398	8.3
149.02325	7.4
149.06024	2.5
151.03911	12.7
153.06984	0.8
155.04880	1.6
157.06522	1.3
159.04416	4.3
161.02325	1.0
161.05978	4.3
163.03918	51.7
165.01880	0.7
165.05461	5.1
167.03424	5.9
169.05025	2.9
169.06525	1.9
173.05992	4.3
175.03888	3.6
175.07567	0.9
177.05499	5.8
179.03394	7.8
181.05017	1.0
181.06500	1.1
183.04463	2.5
185.06042	1.6
187.03859	9.0
187.05228	0.7
187.07570	1.5
189.05527	2.7
191.03378	10.1
193.04939	1.9
197.05983	4.4
201.05487	8.9
203.03397	13.1
203.07092	2.8
205.04938	3.3
207.06575	1.5
213.05487	2.4
215.03430	2.9
215.07083	3.2
217.05000	3.5
219.06537	1.3
221.04356	1.1
223.02397	1.0
225.05527	2.4
229.04977	11.3
231.02939	0.9
231.06561	2.1
233.04457	5.3
237.05489	1.4
241.04971	3.6
243.06592	6.2
245.04468	52.1
247.06039	46.2
248.06314	1.2
253.05035	2.5
255.06480	3.3
257.04480	14.3
258.05325	1.3
259.06042	10.0
261.07623	2.3
263.05420	1.1
265.05069	2.1
269.04614	3.8
271.06042	21.7
273.07693	3.0
274.04745	2.0
275.05536	17.5
279.06555	0.7
281.04358	1.7
283.06046	11.2
285.03961	1.7
285.07538	1.6
286.05118	0.7
287.05511	20.4
289.07101	26.5
290.07510	0.7
291.08652	16.9
295.06067	2.0
297.04037	2.1
297.07446	1.4
299.05536	5.8
301.07059	12.1
303.05069	0.9
303.08560	1.2
307.06198	1.0
309.03955	2.8
309.07312	1.1
311.05539	2.3
313.07272	2.0
321.07797	0.9
323.05313	3.4
331.08298	1.3
351.05066	3.1
361.07077	0.9
365.06522	2.0
367.08429	1.0
377.06631	1.3
379.08200	3.1
383.07660	3.1
389.06836	1.5
391.08173	1.9
393.06113	4.9
395.07755	1.2
397.09213	4.0
405.05887	4.6
407.07669	18.0
409.09210	24.3
410.09555	1.7
411.10861	2.8
415.07880	0.7
419.07712	3.9
421.09091	3.8
425.08698	7.5
427.10364	13.2
431.07541	1.2
433.09399	1.7
435.11295	1.0
437.08710	6.8
439.10538	2.4
449.08768	2.3
451.10321	3.1
453.11972	1.3
517.11304	3.1
527.09686	2.5
535.12573	1.8
541.11475	1.5
545.10687	5.9
553.11670	0.8
559.12030	1.7
571.11823	0.7
577.13519	2.0
579.15027	4.4
679.14197	2.1
697.15466	2.1
798.24176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02858	5.2
67.05433	5.8
69.03355	3.7
69.06989	3.7
70.75890	1.8
73.02841	4.6
79.05417	7.7
81.03338	2.6
81.06979	7.1
83.04924	1.3
83.08548	1.9
85.02912	5.2
89.57243	0.6
91.03937	3.3
91.05485	5.7
93.07056	6.2
95.04876	2.4
95.08606	3.0
97.02804	3.9
97.06471	1.2
97.10092	1.0
99.04432	1.0
101.02316	1.8
103.03891	0.7
105.07065	4.5
107.04916	0.6
107.08599	3.0
109.02782	1.0
109.10061	1.2
111.07991	0.9
115.03890	0.7
117.06915	0.8
119.08588	3.1
121.06416	0.9
121.10098	1.2
123.08025	0.9
127.03826	2.4
129.06946	0.7
131.08539	1.3
133.10005	1.9
133.17873	0.6
135.11630	1.4
143.08461	0.7
145.10057	1.4
147.11676	2.9
149.09450	0.6
161.09605	0.6
161.13264	0.7
163.29401	0.6
171.11574	1.8
184.07286	1.0
185.04132	1.1
201.03421	0.7
201.25093	0.5
203.05171	0.8
228.95610	0.6
243.08469	4.1
247.13026	1.9
273.14636	0.8
281.17398	0.9
301.08875	1.8
303.15500	0.9
315.10269	0.7
321.23312	0.6
333.20355	4.0
373.23615	0.7
385.18466	1.2
405.40283	0.7
453.20825	1.4
465.20929	15.7
481.20523	1.5
525.23016	2.2
533.27026	1.7
535.28656	1.2
541.22644	0.8
551.28247	10.1
609.32159	1.2
613.37604	1.0
641.36792	1.3
651.33197	0.9
677.35974	0.9
695.40210	0.8
705.34918	2.1
707.40265	0.7
745.41388	2.1
763.42700	4.6
774.41632	0.9
775.42413	100.0
776.42731	6.3
843.48456	9.3
861.48907	48.8
862.49115	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	863.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.4
62.44807	0.3
67.05505	3.6
68.09886	0.3
69.03429	1.7
69.07074	2.3
70.75984	0.9
73.02914	2.9
79.05492	3.9
81.03427	1.4
81.07059	4.1
83.05009	0.6
83.08611	0.8
85.02908	3.2
91.03969	2.2
91.05486	3.7
93.07052	4.5
93.46771	0.3
95.04972	0.6
95.08612	2.9
97.02898	3.3
97.06512	0.5
97.10183	0.9
99.04465	0.7
101.02406	1.3
103.03951	0.4
105.07037	2.6
107.08596	2.9
109.02917	0.9
109.10182	1.1
111.08047	0.4
117.07016	0.9
119.08589	2.3
121.06551	0.6
121.10178	0.9
124.99959	0.3
125.09666	1.0
127.03958	1.1
129.07016	0.6
131.08601	1.3
133.10141	1.8
135.11734	0.9
145.10162	0.9
147.11728	1.4
149.13297	0.7
151.11137	0.5
159.11745	0.6
161.13306	0.4
171.11688	0.4
184.07372	0.9
185.04303	0.4
203.05350	0.8
243.08374	2.5
259.20587	0.6
260.28751	0.4
275.20120	0.5
288.88034	0.4
301.08942	1.5
313.09189	0.4
315.10425	0.4
332.35715	0.3
351.21283	2.6
369.15369	0.4
373.23471	0.3
437.21661	0.4
449.25153	0.5
465.20743	0.6
535.28821	5.3
541.22711	0.6
569.29370	5.6
624.46979	0.3
641.31848	1.0
666.47412	1.7
684.48053	0.5
725.41199	0.4
828.52423	0.5
846.53076	0.5
863.51239	100.0
864.51569	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02842	5.6
65.66466	0.6
67.05415	6.5
68.21188	0.6
69.03340	3.6
69.06979	2.6
69.25640	2.8
69.26060	2.4
71.04937	0.8
73.02828	3.5
79.02950	0.7
79.05394	7.7
79.06216	0.6
81.03331	2.1
81.06963	7.5
81.07485	0.7
83.04896	1.7
83.08575	1.2
85.02803	5.8
85.06506	0.7
91.03842	2.7
91.05380	8.1
91.62405	0.7
93.06941	6.5
95.04900	1.2
95.08609	4.0
97.02789	6.2
97.10087	0.6
98.21464	1.2
99.04392	0.8
101.02274	2.0
103.03816	0.7
105.07034	3.9
107.04848	0.7
107.08470	3.6
109.02801	0.8
109.10059	1.4
111.07984	0.8
117.06966	1.4
119.08559	3.3
121.06431	0.9
121.10045	0.8
127.03807	1.4
129.06900	1.4
131.08507	1.4
133.10008	2.2
135.11575	2.6
143.08424	0.7
145.10016	1.6
147.11584	2.5
149.09401	0.6
184.07234	1.9
185.04134	1.3
231.91768	0.7
243.08408	5.6
247.12956	1.8
287.37762	0.7
291.15915	0.7
301.08798	0.9
333.20419	3.6
357.75967	0.6
373.23410	0.6
384.62708	0.7
439.19391	2.1
453.20883	2.4
465.21011	13.1
469.20779	1.1
533.27405	0.9
535.28815	1.7
551.28357	15.0
552.28564	0.7
593.29175	0.8
613.37134	1.2
641.36731	0.9
677.35400	0.9
705.34393	2.8
723.36151	1.0
733.41565	3.6
745.41125	2.6
747.42877	0.8
763.42035	3.7
775.42377	100.0
776.42554	7.4
843.48737	12.5
861.49243	47.4
862.50055	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82025	0.6
61.02747	2.7
61.03100	3.4
65.03789	0.7
67.05312	4.6
67.05716	4.3
69.03226	2.8
69.03650	2.4
69.06866	3.2
69.07295	2.9
71.01194	0.8
71.04839	0.9
71.05199	0.7
71.51074	0.8
73.02708	4.3
73.03169	3.2
79.05283	5.8
79.05803	3.6
81.03201	3.0
81.03727	1.6
81.06833	6.5
81.07375	3.8
83.04813	1.1
83.08409	1.7
83.08862	1.2
85.02682	5.1
85.03259	2.4
86.09507	1.7
91.03724	2.7
91.04334	1.1
91.05241	6.3
91.05887	2.9
93.06800	6.0
93.07453	2.3
95.04732	2.2
95.05350	1.5
95.08362	3.4
95.09013	1.4
97.02635	5.5
97.03344	1.9
97.06370	0.9
97.10003	1.1
97.10503	0.8
101.02126	2.6
105.06765	4.8
105.07523	1.4
107.08339	3.9
107.09127	1.2
108.08713	0.8
109.02625	1.6
109.06316	1.1
109.07003	0.9
109.09975	1.2
117.06785	1.4
117.07485	0.9
119.08275	2.6
121.09911	1.4
124.99806	1.2
127.03646	1.9
127.38586	0.7
129.05292	0.9
129.06810	1.3
131.08389	1.3
132.08623	0.8
133.09793	2.4
135.07779	1.3
135.11459	1.7
143.08347	1.4
145.09892	1.7
147.11374	2.9
159.07385	0.9
159.11449	1.5
161.13019	1.0
171.11462	1.5
184.06995	6.5
185.03976	1.6
185.07495	1.4
203.05025	1.4
203.37984	0.8
241.06589	1.0
243.08391	5.7
247.12764	2.1
281.17178	0.9
301.08612	3.2
315.10211	1.3
333.20416	3.4
355.13348	0.9
373.10855	1.1
385.18182	1.4
389.22672	1.6
404.78366	0.8
439.18756	1.0
453.20709	1.8
460.16516	0.8
465.14810	1.0
465.20969	13.5
481.19998	1.2
525.22919	3.2
533.26923	1.0
535.28491	2.5
551.28333	14.1
552.28394	1.6
607.30579	1.5
609.32434	1.2
613.36908	1.4
623.29834	0.9
637.31586	1.0
695.39227	1.7
705.34485	1.8
723.35760	1.1
745.41162	2.1
763.41876	4.3
775.42389	100.0
776.42633	5.9
843.48779	11.3
861.49072	72.8
862.49536	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.4
64.46203	0.4
65.03946	0.4
65.41609	0.3
67.05511	4.7
69.03435	2.8
69.07072	3.0
71.04996	0.5
73.02917	2.5
79.05503	4.6
81.03421	1.5
81.07069	4.3
83.04979	0.4
83.08624	0.8
85.02907	3.3
86.09718	0.7
91.03971	1.6
91.05486	2.7
93.07050	3.1
95.04980	1.5
95.08614	1.9
97.02907	3.0
97.10185	0.9
98.21545	0.7
99.04472	0.6
101.02403	0.8
105.07034	2.3
107.04967	0.4
107.08613	1.9
109.02897	0.7
109.10165	1.4
117.07095	0.6
119.08597	1.8
121.06545	0.5
121.10176	0.8
123.11757	0.4
125.00025	0.7
125.09631	0.5
126.41489	0.3
127.03905	0.9
131.08611	1.0
133.10190	1.6
145.10136	0.6
147.11769	0.8
149.09692	0.4
159.11705	0.7
161.13365	0.6
171.11775	0.4
184.07384	2.8
185.04320	0.6
230.04245	0.4
243.08432	2.8
286.85452	0.5
301.08951	0.7
313.08920	0.7
333.20444	1.7
373.11359	0.4
385.18674	0.4
389.23416	0.7
417.77643	0.4
439.19806	1.3
453.20813	0.6
551.28369	9.3
567.27661	0.6
623.30756	0.6
763.43201	0.4
861.49695	100.0
862.50128	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	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.8
66.67524	0.6
67.05509	9.3
69.03442	5.1
69.07072	5.5
69.76104	2.0
69.76500	1.2
70.11714	0.7
71.04993	1.2
71.08640	0.7
73.02920	5.4
79.05499	8.6
79.05926	1.1
80.05781	0.8
81.03432	4.0
81.07053	10.6
83.04977	2.0
83.08630	3.5
85.02909	6.6
87.04484	0.8
91.04005	3.3
91.05475	7.0
92.05837	0.9
93.07044	6.0
95.04981	2.7
95.08593	4.5
96.04537	1.1
97.02890	5.8
97.06561	1.3
97.10184	3.9
99.04462	1.7
101.02380	2.7
105.07034	5.5
107.05000	1.2
107.08602	4.7
108.08921	0.7
109.02878	1.1
109.06512	1.2
109.10175	0.9
111.08064	0.8
117.07034	1.9
119.08599	4.6
121.10168	2.3
123.08096	1.5
125.09640	3.2
127.03924	2.5
128.06299	0.8
129.07008	1.4
131.08594	1.4
133.10146	2.4
142.05046	0.9
143.08655	0.7
145.10158	1.6
147.11751	2.9
159.07697	1.0
159.11728	1.2
161.09677	0.8
161.13322	0.9
171.11707	1.8
172.31026	0.8
184.07362	1.9
185.04221	1.4
189.11234	0.9
189.12859	1.0
203.05331	0.8
243.08443	4.3
247.13115	1.0
281.17444	0.9
301.09006	3.2
303.15826	1.6
313.08896	1.0
333.20447	12.9
334.20914	0.9
344.52390	0.8
373.11237	0.9
373.23523	0.8
389.22980	1.7
465.21021	14.4
466.21448	1.3
481.20325	1.9
495.21933	0.8
533.27380	1.5
535.28870	0.7
551.28284	17.4
552.28333	1.4
580.29108	0.8
580.97345	0.9
593.29193	0.8
705.34747	2.2
745.41266	1.2
763.42145	3.2
775.27820	1.9
775.42383	81.8
776.42810	5.3
843.48730	8.5
861.49310	100.0
862.49597	6.9
886.38770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.573
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42647	1.6
61.02921	4.8
65.03947	6.1
67.05508	100.0
69.03442	11.0
69.07074	28.1
71.04990	8.3
71.08644	11.8
71.51421	2.3
73.02898	5.8
75.84212	1.6
76.28410	1.7
79.05499	75.4
81.03426	15.0
81.07062	92.5
83.04983	18.8
83.08625	22.1
85.02921	9.5
85.06551	4.9
85.10172	2.1
86.09729	2.3
88.37568	1.7
91.03969	2.1
91.05489	56.5
93.07049	86.8
95.04970	16.5
95.08614	54.1
97.02908	10.3
97.06541	8.3
97.10166	8.3
99.04450	2.4
99.08101	11.6
100.11263	2.0
103.05522	2.3
105.04531	3.7
105.07037	45.3
107.04966	4.3
107.08603	35.7
107.76242	1.9
109.02876	3.2
109.06557	4.5
109.10164	25.3
111.08089	4.0
115.05477	1.9
117.07016	21.7
119.08585	30.0
121.06520	10.9
121.10145	22.8
122.06813	3.2
123.08057	2.0
123.11701	5.6
125.09665	3.1
127.03918	6.3
127.07669	2.1
129.05476	6.6
129.07008	12.8
131.08577	29.6
133.10147	22.4
135.08078	2.8
135.11714	14.7
137.09625	4.8
137.13289	3.6
139.11217	3.0
141.06981	3.3
143.08562	11.1
144.10416	1.8
145.10146	18.9
147.08069	1.7
147.11705	16.0
147.69733	1.8
149.09660	3.4
149.13257	19.9
151.11221	9.2
155.08549	3.6
155.10706	2.5
157.10104	7.6
159.11702	17.7
161.13228	10.3
163.11174	7.2
163.14838	6.2
165.12781	2.3
167.08517	2.0
167.78160	2.0
169.10100	2.4
171.11656	9.9
173.11836	3.3
173.13289	7.5
175.14873	5.6
177.12773	6.3
179.14301	4.3
183.11671	3.4
183.35507	2.0
184.07327	2.7
185.13345	6.3
187.14844	6.7
189.11063	2.2
189.12781	1.7
189.43114	1.8
193.15956	1.9
195.11876	2.8
195.13731	4.1
197.13277	3.2
199.14841	6.1
201.16374	4.3
215.17981	4.1
225.16389	2.0
227.12767	4.1
229.14377	3.6
231.17606	1.8
241.19388	3.3
243.21155	7.9
259.20593	6.3
261.22162	13.6
267.15891	2.8
269.17502	13.6
277.21683	6.6
317.24744	5.1
333.24411	2.3
335.25806	21.5
337.27237	3.0
351.25354	6.2
389.27115	2.1
437.34088	3.5
473.36221	3.5
489.36053	2.0
529.38873	21.6
611.46570	3.5
613.48297	24.7
743.45520	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	859.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	2.9
67.05509	6.2
67.05841	0.6
69.03434	3.0
69.07072	2.7
71.05000	1.2
71.08626	0.7
71.51643	0.5
73.02931	3.3
74.21815	0.5
77.74739	0.5
79.05497	6.4
81.03412	2.2
81.07065	5.7
82.07408	0.5
83.04982	1.0
83.08616	1.6
85.02925	4.2
87.04437	0.6
91.03960	2.3
91.05486	5.9
93.07054	5.9
95.05005	1.4
95.08614	3.0
97.02898	3.4
97.06537	0.7
99.04465	0.6
101.02412	1.8
105.07057	4.1
107.04961	0.6
107.08611	2.5
109.02893	0.5
109.06553	0.8
109.10197	1.0
117.07060	1.3
119.08591	2.6
121.06541	0.6
121.10185	1.7
127.03941	1.2
129.07027	0.8
131.08595	1.3
133.10164	1.5
135.11710	1.4
143.08569	0.6
145.10173	1.5
147.11749	0.6
173.37614	0.4
178.50774	0.5
184.07341	0.8
185.04225	0.6
203.05402	0.7
243.08412	3.3
255.23215	0.8
259.20691	0.5
301.09055	1.5
310.44739	0.4
315.10669	1.0
347.22241	1.7
351.25269	0.7
439.19623	0.6
465.21292	1.2
467.22440	0.7
525.23694	0.5
535.28833	6.2
551.27783	0.5
565.29889	4.7
637.32202	0.6
773.39575	1.6
859.51837	100.0
860.52325	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	859.4843
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02939	7.6
65.03951	1.5
67.05506	21.3
68.05836	1.2
69.03432	6.7
69.07069	8.6
70.07388	1.4
71.05005	1.8
71.08643	3.0
71.50900	1.4
73.02927	5.9
79.05494	18.2
81.03430	7.1
81.07067	23.2
82.07404	2.6
82.59180	1.3
82.92660	1.0
83.04995	4.3
83.08630	4.5
85.02908	8.4
85.06547	1.2
91.03960	4.7
91.05490	18.7
92.05853	1.4
93.07040	16.9
94.07392	1.5
95.04951	5.3
95.08609	10.7
96.05272	1.2
97.02892	6.6
97.06529	3.6
97.10191	4.2
99.04479	3.3
99.08115	2.5
101.02401	2.0
105.07031	13.5
107.04978	3.1
107.08598	9.0
108.08977	1.8
109.02901	1.6
109.06534	2.8
109.10168	4.6
111.08124	1.2
117.07071	4.4
119.08590	8.2
120.08917	1.4
121.06564	1.6
121.10168	4.5
122.10508	1.1
123.08132	2.0
123.11749	1.2
125.09651	2.7
127.03948	3.0
129.07022	3.2
130.47838	1.1
131.08578	5.5
132.08932	1.4
133.10130	6.7
134.10522	1.7
135.08119	1.5
135.11722	3.4
142.04980	1.0
143.08563	2.1
145.04987	1.2
145.10132	5.3
146.10477	1.7
147.08163	1.3
147.11720	5.4
149.09631	1.8
149.13251	2.3
151.11182	2.2
155.08514	1.1
157.10202	1.0
159.11732	2.6
161.13211	1.6
163.11252	2.6
169.10248	1.2
171.11803	2.8
173.13321	1.3
177.12799	1.2
179.33142	1.1
184.07303	6.6
185.04274	1.8
187.11346	1.3
189.11331	1.7
206.11073	1.2
227.12845	1.8
234.67566	1.0
243.08354	7.4
247.12985	1.5
269.17484	1.3
275.20218	3.2
276.20505	3.2
277.21686	1.1
291.19711	1.0
292.20303	1.1
294.21771	1.1
301.09116	2.8
315.19113	1.5
331.18979	3.4
335.25922	1.4
336.26187	1.5
349.23740	1.9
435.20837	1.1
465.20938	11.6
481.20834	1.4
533.27521	2.6
537.23132	1.2
549.26819	11.7
550.26599	1.4
551.28363	5.9
627.46582	1.2
731.39941	3.3
743.39050	2.0
761.41016	3.3
773.40839	100.0
774.41101	6.1
841.46967	12.4
859.47430	97.3
860.48474	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	859.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97606	0.6
61.02932	3.8
67.05508	7.5
69.03427	2.7
69.07080	2.7
71.04985	1.0
73.02932	3.3
79.05499	7.8
81.03423	3.2
81.07073	7.0
83.04982	1.5
83.08618	1.5
84.97429	0.6
85.02917	5.2
85.06561	0.7
87.04418	0.8
91.03957	2.6
91.05489	6.5
93.07047	6.8
94.07378	0.7
95.04961	1.8
95.08614	5.2
97.02897	4.2
97.06561	1.2
99.00854	0.6
99.04480	1.2
101.02411	2.1
105.07029	3.7
107.04990	0.7
107.08605	2.8
109.02903	1.5
109.10136	1.7
110.23448	0.6
110.24384	0.6
110.58578	0.6
111.51768	0.6
114.36203	0.6
115.03967	0.6
115.05400	0.6
117.07040	1.5
119.08601	2.5
121.06514	1.1
121.10173	1.4
123.08052	0.8
127.03925	1.0
129.05464	0.7
129.06998	1.4
131.08578	2.0
133.10153	3.1
133.30061	0.6
135.11713	0.9
143.08603	0.9
145.10117	1.4
147.08066	0.9
147.11703	2.8
151.11195	1.0
157.10196	0.8
159.11674	1.1
171.11696	1.8
184.07407	1.8
185.04279	1.3
193.12250	1.1
203.05290	0.8
225.75296	0.7
243.08437	3.8
247.13100	1.7
301.09100	1.2
303.15671	1.1
313.17679	1.0
315.10376	0.9
331.18909	4.2
333.19849	0.8
342.39294	0.6
369.15405	0.7
371.16782	1.0
451.19293	2.8
453.20944	0.9
465.20990	12.2
529.38678	0.6
531.25476	3.1
533.27472	1.7
535.28839	0.7
537.22717	1.2
541.48102	0.8
549.26715	5.6
551.27942	2.4
562.38361	0.7
593.29053	0.8
633.32727	0.7
661.31238	0.8
675.33057	2.1
703.32831	2.5
704.33264	0.9
743.39563	3.2
745.41113	0.7
755.40039	5.6
761.39703	2.3
773.40851	100.0
774.41058	6.5
823.45935	1.7
841.47290	10.5
842.47046	0.7
859.47473	28.7
860.47772	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	859.4829
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02934	4.7
61.95286	0.6
65.03940	0.6
67.05510	6.8
68.05833	0.5
69.03442	3.5
69.07081	4.0
71.05001	1.0
73.02907	3.7
73.92853	0.5
79.05499	7.0
81.03421	3.0
81.07061	7.4
82.07403	0.6
83.04984	1.4
83.08635	2.0
85.02915	4.9
91.03964	2.2
91.05490	6.1
92.72906	0.5
93.07056	6.5
94.07381	0.5
95.04980	1.7
95.08625	3.0
97.02899	3.8
97.06517	0.8
97.10183	1.6
98.21561	0.7
99.04469	1.3
101.02399	2.1
105.07042	4.3
107.04974	2.0
107.08593	4.3
109.02905	1.1
109.06532	1.2
109.10186	2.4
111.08116	0.8
117.07034	1.6
119.08584	3.4
119.69379	0.5
121.06558	0.9
121.10175	1.9
125.09669	1.1
126.10004	0.6
127.03975	2.2
129.07037	1.0
131.08606	1.8
133.10170	2.1
135.08047	0.6
135.11729	1.7
139.50011	0.5
143.08601	0.7
145.04871	0.6
145.10086	1.0
147.11757	1.6
149.09698	0.9
157.10243	0.6
159.11717	1.0
161.13423	0.6
170.55557	0.6
174.19174	0.5
175.11208	0.6
175.92368	0.5
184.07478	0.8
185.04257	1.0
189.11272	0.6
203.05310	0.8
223.13397	0.6
227.12819	1.1
243.08464	5.1
275.20132	0.8
291.19623	0.9
295.67386	0.6
301.08893	1.2
301.14215	0.9
315.10693	0.6
317.21075	0.6
331.18729	0.7
333.20584	1.8
363.89389	0.6
387.21521	0.7
439.19461	0.8
453.21118	0.9
465.21646	1.1
519.22125	3.0
525.23804	0.7
535.28790	4.4
549.26929	4.4
551.28369	5.3
813.43884	13.5
814.45087	1.1
841.46790	1.9
859.48120	100.0
860.48743	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	859.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	6.3
65.03959	1.0
67.05176	1.6
67.05509	16.8
68.05859	1.6
69.03126	0.8
69.03428	4.8
69.07079	8.6
71.04990	2.1
71.08640	1.3
73.02917	5.6
79.05492	14.7
80.05828	1.2
81.03423	7.4
81.07062	16.3
82.07396	2.4
83.04986	3.8
83.08625	3.8
85.02908	6.8
85.06528	1.0
87.04492	1.8
91.03955	3.3
91.05490	14.6
92.05817	2.8
92.88791	0.9
93.07053	15.9
94.07394	1.6
95.04990	4.0
95.08633	8.3
96.08965	1.7
97.02904	7.8
97.06559	3.7
97.10194	2.4
99.04481	2.0
99.08064	1.2
101.02396	3.0
105.07041	10.3
106.07343	2.2
107.04993	2.3
107.08609	8.9
108.08966	1.2
109.02902	1.3
109.06512	1.9
109.10180	3.7
110.10498	1.0
111.08164	1.6
117.07037	3.5
119.08604	9.1
121.06546	2.0
121.10175	3.7
121.64668	0.8
122.10512	0.8
123.08038	1.5
125.09641	2.0
127.03919	2.7
129.07042	2.7
131.08575	4.6
133.10167	5.6
135.08093	1.2
135.11740	2.8
137.09602	1.1
143.08617	2.7
145.10106	5.2
147.11751	3.7
149.09604	0.9
149.13225	2.2
151.11272	1.1
157.10286	1.3
159.11737	2.5
160.12054	1.0
161.13289	2.8
163.11241	1.4
163.38326	0.8
171.11751	2.7
172.12042	1.2
179.14413	1.4
184.07405	3.2
185.04268	2.5
195.13918	1.4
203.05412	1.0
207.13818	1.0
223.13359	1.4
232.06689	1.1
243.08363	6.4
247.13091	1.2
259.07913	1.1
269.17896	1.1
275.20169	2.4
301.08987	2.8
315.10355	1.4
331.18701	5.1
333.20496	1.2
350.24442	1.1
371.22003	1.1
385.18549	1.5
387.21588	1.4
465.21014	14.8
481.20795	1.6
533.27521	3.0
535.28680	1.3
549.26764	12.8
550.27374	0.9
551.28613	6.0
610.45142	1.7
628.46033	1.1
639.34454	1.4
647.33716	1.0
703.32831	1.7
731.39911	1.6
743.39844	2.4
761.40326	4.0
773.40851	100.0
774.41443	5.5
813.44049	2.1
841.47083	12.0
842.48724	1.3
859.47369	91.1
860.47650	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	858.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	9.0
67.05185	6.0
67.05511	95.8
69.03414	4.8
69.07075	38.3
69.16764	47.2
71.04978	7.6
79.05502	95.4
81.03415	6.0
81.07063	100.0
83.04973	10.8
83.08211	4.1
83.08629	19.8
85.06519	7.7
91.05492	91.6
93.07053	81.2
95.04989	11.1
95.08614	52.5
97.06539	7.5
97.10156	8.1
105.07038	84.0
105.07709	8.3
107.04937	6.4
107.08608	44.3
109.06561	6.6
109.10164	45.6
109.43781	4.1
117.07028	35.9
119.08591	72.2
121.10155	34.6
123.08075	6.5
123.11745	7.9
129.06996	17.0
131.08589	42.3
133.10121	51.8
135.08017	4.4
135.11703	23.6
137.09653	8.2
142.07764	5.9
143.08592	17.1
145.10114	22.0
147.11681	48.8
149.09592	11.2
149.13275	17.9
155.08446	6.2
156.09346	4.8
157.10132	20.4
159.11705	27.5
161.13293	21.1
169.10130	9.9
171.11736	19.7
173.13315	13.3
175.14818	7.9
183.11693	11.9
184.07373	20.8
185.13300	12.9
197.13255	5.5
199.14845	12.9
229.14284	18.0
241.19473	24.9
257.19028	6.4
259.20621	60.1
269.17419	21.9
275.20178	33.3
293.21161	9.2
306.85715	5.2
333.24295	69.6
349.23837	22.7
367.24881	17.2
382.77469	4.7
387.56757	5.8
435.32761	7.7
487.34314	12.0
505.35077	9.5
513.35529	10.9
515.37579	7.3
527.37415	63.8
545.38397	12.0
607.43628	34.5
608.44543	5.8
625.44592	34.9
708.41095	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	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	8.4
65.03944	7.2
66.92369	1.9
67.05512	100.0
69.03435	16.4
69.07072	44.4
71.04995	7.0
71.08631	9.8
71.15827	3.9
73.02923	4.1
77.03947	3.2
79.05499	83.9
80.05832	2.5
81.03424	16.7
81.07064	97.8
81.40305	1.9
83.04991	18.0
83.08625	22.5
85.02892	10.6
85.06555	5.3
86.09712	3.4
91.05493	69.7
92.05785	3.1
93.07051	88.4
95.04993	13.4
95.08614	62.4
95.99989	1.8
97.02919	10.1
97.06548	12.5
97.10185	11.6
98.57976	1.9
99.04486	3.0
99.08134	11.8
102.17441	1.6
102.30962	1.7
103.05486	4.2
105.04510	2.1
105.07045	52.9
106.07392	2.2
107.04968	8.1
107.08603	49.1
109.02892	4.6
109.06523	5.0
109.10188	25.1
111.08108	7.2
115.05468	1.9
117.07027	29.4
119.08600	42.1
121.06539	6.6
121.10159	27.7
123.08047	3.8
123.11731	6.1
125.09672	12.7
127.03921	5.4
128.06238	2.9
129.05507	5.0
129.07004	13.8
131.08598	31.2
133.06389	2.8
133.10144	30.1
134.10461	2.4
135.08057	4.7
135.11700	17.7
137.09676	3.9
141.07001	4.3
142.07828	1.9
143.08591	13.0
145.05013	1.9
145.10141	25.2
147.08113	2.6
147.11714	20.0
149.09621	10.5
149.13261	14.0
151.11214	7.9
153.09186	2.1
155.08569	7.4
157.10158	12.2
159.11717	19.6
161.09616	4.4
161.13316	10.9
163.11269	8.8
163.14819	3.8
169.10144	6.6
171.10341	2.1
171.11653	9.1
173.11879	3.4
173.13286	12.9
175.14857	3.8
177.12778	6.7
178.48929	2.1
179.14310	4.2
181.10092	3.4
183.11720	6.5
184.07343	6.2
184.78445	1.9
185.13306	7.6
187.14828	6.3
189.11177	4.6
189.12787	3.1
195.11742	3.3
195.13872	4.9
197.13290	4.5
199.14816	4.5
201.12750	2.2
201.16495	1.9
202.15981	4.6
209.13309	3.1
211.14929	4.4
213.16447	2.2
215.14296	2.0
227.12816	9.0
229.14255	2.2
229.19490	2.8
239.17978	3.8
241.19559	2.2
243.21257	2.7
253.14427	2.8
255.15916	4.5
257.19006	3.0
259.20551	5.1
261.22083	5.6
267.15784	1.9
269.17429	16.1
271.20642	2.5
273.18518	2.8
275.20099	21.8
277.21667	7.2
291.19598	2.6
293.21033	6.2
299.23816	2.8
300.13657	3.3
331.23004	2.5
335.25912	21.1
349.23685	12.5
351.25320	7.0
367.24438	2.6
369.24417	2.0
463.30545	4.8
465.20963	6.6
489.35730	2.1
513.35162	3.0
515.37286	11.8
517.39905	3.1
527.37531	5.7
529.39191	16.4
543.36688	5.3
545.38660	2.1
547.40106	2.2
549.26636	3.3
561.37390	3.1
609.45184	16.6
627.46204	12.5
761.40424	2.6
773.27203	2.3
773.40778	38.1
841.47675	2.0
858.45648	3.6
859.47357	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	7.3
63.97245	1.9
65.03935	8.0
67.05507	95.9
69.03432	13.2
69.07069	33.1
69.18597	1.4
71.02715	1.5
71.04977	6.9
71.08640	8.2
71.51631	2.0
73.02917	4.5
77.03912	1.8
79.05493	80.9
81.03426	15.0
81.07057	100.0
83.04978	18.7
83.08608	16.5
85.02908	11.6
85.06538	4.1
91.03941	3.8
91.05483	75.1
93.07046	86.3
94.07350	2.5
95.04977	14.0
95.08606	59.5
97.02892	9.5
97.06538	10.1
97.10164	5.8
99.04456	3.2
99.08075	11.0
100.11233	1.5
101.31270	1.7
103.05424	3.1
105.04521	2.4
105.07034	61.4
107.04953	4.7
107.08597	43.3
107.99132	1.5
109.02933	2.6
109.06516	8.2
109.10153	18.7
111.04441	1.9
111.08069	4.9
115.05454	4.4
117.06245	2.0
117.07026	27.4
119.08587	41.1
121.06490	5.3
121.10146	25.5
123.08043	4.1
123.11704	6.3
123.68396	1.5
125.09619	6.1
127.03926	7.1
128.06155	2.4
129.05473	6.2
129.06999	17.8
131.08574	35.8
133.10132	34.1
135.08046	4.5
135.11676	16.5
137.09583	3.7
137.13353	1.9
139.11188	3.0
141.06996	4.1
143.08557	16.3
145.04962	3.3
145.06508	2.0
145.10152	25.9
147.08014	3.3
147.11681	24.2
149.09601	5.6
149.13242	15.1
151.11209	4.6
151.14771	2.4
153.09166	1.8
155.08533	7.4
155.10692	2.1
157.10124	13.9
159.11690	21.1
161.09612	3.1
161.13258	13.3
163.11169	5.1
163.14803	4.1
165.12706	2.4
167.08481	3.2
168.09363	1.8
169.10077	7.2
171.11679	14.4
173.11873	2.7
173.13231	12.3
175.11183	4.2
175.14777	4.4
177.12796	3.4
179.14278	2.3
181.10040	1.9
183.11687	5.6
185.13289	8.6
187.11217	1.6
187.14873	7.7
189.12694	1.9
195.11688	3.2
195.13841	2.4
197.13281	5.6
199.14870	7.1
201.16380	4.1
207.13742	3.0
209.13199	2.8
211.14871	5.1
213.16371	4.5
215.17924	2.4
217.15776	2.4
217.19437	1.9
223.14839	3.0
225.16374	2.3
229.14180	2.0
229.19527	3.4
231.21255	2.2
238.54407	1.5
239.17970	3.2
241.19492	4.5
243.21077	3.5
257.19070	5.6
259.20590	11.1
261.22198	5.2
267.15961	2.0
269.17471	11.8
275.19971	8.4
277.21640	2.0
291.19791	1.5
299.23547	2.0
311.23538	1.6
315.22980	2.6
327.75174	1.7
333.24185	10.3
335.25861	15.6
336.26279	2.0
349.23749	1.8
351.25467	2.9
381.31567	1.7
423.32635	1.9
433.89169	1.6
519.41760	2.2
527.37500	7.6
529.38904	11.7
530.38690	2.1
531.39728	5.0
593.45911	2.2
609.44617	4.6
611.46875	23.7
627.46216	4.2
632.67865	2.0
858.50067	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	856.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.7
65.03929	5.6
67.05508	100.0
69.03442	8.1
69.06728	2.5
69.07073	31.4
71.04990	10.3
71.08618	3.1
71.51397	2.4
72.63064	1.2
77.03928	2.2
79.05499	73.9
81.03433	11.6
81.07063	96.1
83.04988	12.2
83.08621	15.7
85.02905	2.9
85.06536	6.5
91.03937	1.6
91.05489	64.0
93.07050	73.5
95.04980	11.6
95.08616	51.6
96.08911	1.8
97.02898	4.8
97.06530	11.9
97.10175	6.4
99.04430	2.7
99.08077	4.4
103.05469	2.0
105.04498	3.2
105.07038	43.3
107.04966	7.6
107.07882	2.3
107.08597	40.5
109.02831	1.9
109.06548	7.0
109.10163	40.4
111.08073	7.6
113.06047	2.3
115.05510	1.6
117.07020	15.1
119.08595	27.4
121.06502	6.4
121.10153	23.2
123.08067	4.3
123.11668	7.2
123.94817	1.4
125.09630	3.3
127.03918	2.5
128.06221	2.7
129.05470	1.7
129.07008	5.8
131.04979	1.5
131.08574	26.8
133.06476	2.6
133.10141	36.3
135.08076	4.9
135.11739	14.8
137.09682	3.1
143.08560	8.0
145.06421	1.5
145.10138	18.0
147.08107	2.1
147.11705	14.0
149.09610	6.2
149.13231	11.8
151.11183	10.9
155.08559	2.3
155.10646	2.2
157.10133	5.8
159.11713	14.5
161.09663	2.5
161.13330	6.9
163.11188	5.0
163.14851	3.5
169.10121	2.2
169.12201	3.0
171.11742	5.1
173.11847	2.8
173.13263	7.7
175.11140	3.3
175.14899	3.1
177.12766	4.3
179.14314	1.5
181.10089	1.5
183.11649	3.0
184.07254	1.8
185.13206	2.5
187.14821	4.0
189.11269	1.6
195.13779	4.5
197.13280	2.1
199.14844	2.8
201.16495	1.9
205.12122	1.7
227.12758	4.1
229.14363	14.6
239.18044	2.6
241.19556	1.8
243.21114	4.5
253.14409	18.5
257.19104	4.6
259.20563	4.2
261.22198	8.5
269.17429	8.5
273.18634	4.9
275.20132	14.4
291.19528	3.8
293.21078	3.4
317.24887	2.1
333.24258	4.7
335.25824	60.0
336.25983	2.3
336.56186	1.4
349.23792	10.8
365.23193	4.3
367.24969	2.9
381.26590	1.8
413.21585	4.8
489.35727	14.1
513.35889	1.9
529.38953	58.9
530.38757	2.7
531.36707	2.2
559.36084	3.1
607.43372	1.7
609.45270	15.1
611.45972	1.5
625.44702	8.3
627.45905	2.7
640.26959	1.5
641.48059	8.8
659.45343	1.9
673.42792	6.2
685.43823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.2
61.25488	1.7
65.03922	4.9
66.40955	1.7
67.05511	91.0
68.05849	1.8
69.03434	12.2
69.07073	42.3
69.28587	14.7
71.04981	7.8
73.02897	2.5
77.03912	2.2
79.05499	81.6
81.03417	14.5
81.07062	100.0
83.04987	17.9
83.08156	2.0
83.08627	25.5
85.02906	4.2
85.06533	5.3
91.04911	3.5
91.05487	76.6
93.07048	87.5
95.04975	17.9
95.08616	43.9
97.02884	5.8
97.06538	23.9
97.10184	16.4
99.08073	3.5
103.05457	2.4
105.04523	2.9
105.07034	57.6
107.04957	15.9
107.08600	55.5
109.02879	2.9
109.06528	10.8
109.10163	19.1
111.04449	2.3
111.08096	8.3
113.06013	2.2
113.09659	2.8
115.05436	2.7
117.07025	29.0
119.05936	1.6
119.08585	42.2
121.06493	7.1
121.10153	25.5
123.08057	6.5
123.11753	8.2
125.09641	14.1
127.03936	4.2
128.06206	1.6
129.05478	2.4
129.06996	10.1
130.07764	2.1
131.08577	38.3
133.06523	3.5
133.10146	38.7
135.08083	9.3
135.11693	24.2
137.09624	4.7
139.11154	2.9
141.07030	2.8
142.07750	2.3
143.08574	7.1
145.10123	27.3
147.11699	18.9
149.09618	24.8
149.13266	17.4
151.11278	3.2
153.09096	2.7
155.08519	4.2
157.10109	9.0
159.11711	22.3
161.09618	2.8
161.13240	8.2
163.11214	20.1
163.14844	3.0
165.09105	2.2
165.12779	4.0
169.10109	5.8
171.10292	2.9
171.11696	8.3
173.04486	3.3
173.09654	3.4
173.11951	2.0
173.13258	10.1
175.11104	2.3
175.14771	1.9
177.12737	7.8
179.14313	5.7
181.12215	3.1
183.11717	4.4
185.13223	3.2
187.11153	2.8
187.14816	2.1
189.11246	7.5
189.12726	1.9
191.14368	1.8
195.11996	1.9
195.13800	8.5
197.13301	3.3
199.14859	3.3
201.12766	2.9
211.14839	3.1
213.16603	1.9
215.14291	3.0
227.12776	23.4
229.14459	3.1
229.19530	5.7
239.17949	9.3
245.13838	3.5
247.20665	4.0
253.17966	3.9
255.15891	13.9
257.18979	14.6
267.15906	4.8
269.17484	48.3
275.20084	74.0
293.21036	7.1
299.20160	2.1
321.24231	2.8
331.22656	4.5
349.23752	64.1
367.24762	14.3
389.17786	2.3
395.20676	2.1
409.25659	2.2
413.21918	2.2
423.27435	4.0
431.28036	2.6
449.28995	15.9
451.31921	2.2
463.30737	18.4
511.33963	2.2
515.37122	3.0
519.33112	4.0
525.35449	5.7
529.35376	10.7
543.36890	55.3
544.36981	2.9
549.39185	1.9
561.37469	3.1
607.35236	1.8
623.42877	12.4
641.44135	9.9
659.44659	6.0
857.45483	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.8
65.03919	4.7
67.05509	75.8
69.03436	9.0
69.07072	42.8
69.27797	5.9
69.28226	8.6
71.04981	7.8
74.26594	1.8
77.03907	3.1
79.05499	76.6
81.03423	12.6
81.07063	100.0
83.04984	12.8
83.08630	17.1
85.02895	5.7
85.06550	4.3
91.05488	63.5
93.07047	69.4
95.04977	12.6
95.08611	40.7
97.02876	4.7
97.06538	20.5
97.10162	13.5
99.08080	3.1
103.05434	2.7
105.07039	55.4
107.04975	11.9
107.07880	2.5
107.08602	49.2
109.02879	2.4
109.06519	8.1
109.10163	19.7
111.08064	6.5
113.09639	2.0
117.07014	25.3
119.08591	35.3
121.06501	7.9
121.10164	24.4
123.08048	4.7
123.11694	5.5
125.09637	15.1
127.03931	3.3
128.06219	2.9
129.05461	2.4
129.07021	10.1
131.08580	33.2
133.10132	31.1
135.08037	5.8
135.11697	19.9
137.09596	3.9
139.11237	2.4
141.06990	4.6
142.07732	2.9
143.08553	9.6
144.09299	1.6
145.06508	2.5
145.10118	26.9
147.08017	4.0
147.11690	20.2
149.09651	16.3
149.13283	12.6
151.11162	2.7
155.08563	6.8
157.10127	8.9
159.08081	3.8
159.11710	19.5
161.09627	3.0
161.13248	8.0
162.25783	1.8
163.11192	14.6
165.12799	3.8
169.10121	7.4
171.10226	3.1
171.11679	8.0
173.04463	3.3
173.09673	4.1
173.11905	2.0
173.13274	8.0
175.11229	3.4
177.12776	4.7
179.08618	1.9
179.14273	3.9
181.12257	2.8
183.11670	4.6
185.13280	4.7
187.11224	2.3
187.14836	2.7
189.11226	5.7
195.13838	10.1
197.13283	6.5
199.14867	2.3
227.12744	14.5
229.19553	4.3
234.66318	2.0
239.17926	3.0
245.13840	2.7
247.20602	3.4
251.16382	2.1
255.15884	12.0
257.19070	14.0
267.16006	2.3
269.17526	30.9
270.37851	1.8
273.18552	2.2
275.16992	2.8
275.20056	53.0
276.20404	2.7
293.17966	2.0
293.21182	4.8
297.16870	1.7
331.22614	5.6
335.48434	1.9
349.23776	48.1
367.24979	7.2
383.54422	2.1
409.25836	2.0
433.30536	1.9
435.27246	2.6
445.29910	2.5
449.29175	15.8
450.29306	2.7
451.32416	2.2
463.30539	17.2
525.35693	4.8
529.35156	8.5
543.36914	32.6
561.38135	4.0
623.42822	10.2
641.43628	5.9
730.14209	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.5
65.03946	4.4
67.05510	100.0
68.05818	1.5
69.03426	3.4
69.07071	14.8
70.07454	0.9
71.01347	1.8
71.05020	5.5
71.08627	1.4
73.02903	2.7
74.09726	1.9
77.03915	1.5
77.31738	0.8
79.05499	45.2
81.03432	9.0
81.07063	61.9
83.05002	6.1
83.08627	12.7
85.02912	10.4
85.06532	3.9
87.04465	3.8
91.03958	1.6
91.05489	29.8
93.07050	42.8
95.04976	5.5
95.07992	2.0
95.08611	39.4
97.02897	3.6
97.06555	4.2
97.10175	12.5
98.04659	0.8
98.21525	2.6
99.08118	1.1
103.03946	1.2
105.04538	2.0
105.06398	1.6
105.07041	16.4
107.04945	2.7
107.08605	26.0
109.06515	3.5
109.10163	52.4
110.10477	1.4
111.04442	1.1
111.08075	4.2
117.07022	7.1
119.08583	13.8
121.06551	1.4
121.10154	16.6
123.08092	2.3
123.11710	3.7
125.09635	11.6
129.05482	2.0
129.07047	1.8
131.08577	11.2
133.10132	11.3
133.15788	0.9
134.10442	1.0
135.11693	11.2
137.09645	4.5
137.13252	1.2
139.11197	1.2
143.08540	1.7
143.10672	1.4
145.10152	9.5
147.08070	1.9
147.11746	5.6
149.09596	2.2
149.13300	4.8
151.11189	1.0
153.12741	2.9
155.08559	1.2
155.10692	4.9
157.10086	1.5
159.11716	7.0
161.13245	4.1
163.11197	6.3
163.14828	3.4
168.28299	0.8
171.11678	1.3
173.11742	13.6
173.13261	5.3
175.11234	1.0
175.14806	2.6
181.12251	1.7
183.11789	1.1
184.07381	1.1
187.14804	2.2
189.11206	1.3
189.16267	1.1
191.10674	1.7
193.12202	1.2
199.13286	5.5
209.11772	5.6
227.12767	4.7
229.14354	39.5
243.21089	3.6
245.13744	1.1
257.13916	1.9
259.20569	1.8
261.22147	14.9
263.15854	0.9
267.15897	2.9
283.15454	1.6
299.23740	1.0
301.16452	11.0
315.23334	1.3
317.24979	1.4
335.25818	83.1
336.26166	3.0
399.23914	9.7
477.36026	5.9
489.28842	1.8
489.35748	19.6
490.36081	2.2
495.18246	1.1
561.38422	5.4
579.38715	2.1
659.45258	20.3
660.43665	1.2
837.68896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	8.9
65.03936	7.6
67.05512	89.8
68.45937	1.4
69.03431	14.4
69.07073	44.2
71.04985	6.5
71.16399	2.8
73.02913	3.9
77.03931	1.9
79.05499	95.9
81.03420	12.9
81.07063	100.0
83.04986	17.4
83.08214	1.9
83.08626	19.8
85.02908	11.5
85.06537	7.0
91.03937	4.0
91.05488	97.0
93.07051	87.2
93.07570	1.5
95.04981	18.6
95.08614	65.2
97.02885	11.7
97.06540	16.8
97.10155	6.2
98.09693	3.0
99.04454	4.8
99.08100	5.5
103.05455	3.5
105.04498	4.7
105.07040	84.4
107.04949	7.0
107.07869	3.2
107.08598	44.6
109.02832	2.6
109.06527	10.1
109.10166	23.0
111.04412	3.5
111.08097	8.1
113.09649	1.6
115.05454	6.6
116.06293	2.6
117.07030	36.5
119.08592	63.6
121.06483	6.1
121.10159	28.4
123.08066	5.8
123.11723	7.3
125.09628	4.4
127.03908	5.6
128.06213	6.8
129.05472	2.8
129.07014	23.2
130.07724	2.4
131.07610	2.6
131.08575	45.9
133.06430	3.3
133.10133	44.9
135.08069	5.8
135.11684	16.3
137.09616	5.2
139.11200	2.0
141.06961	6.8
142.07758	4.9
143.08568	24.6
144.09267	2.1
145.06479	2.3
145.09056	2.9
145.10135	40.4
147.08034	3.4
147.11702	34.6
149.09602	10.4
149.13278	18.3
151.11186	2.8
153.07030	3.2
154.07777	2.2
155.08577	12.2
157.10121	18.9
159.08018	2.6
159.11697	33.0
161.09663	3.1
161.13248	15.3
163.09779	1.6
163.11177	7.1
163.14830	2.5
164.96010	1.8
165.07030	2.4
167.08565	3.8
169.10129	11.8
171.11688	19.2
173.09673	2.4
173.13263	12.6
175.11217	2.3
175.14848	5.0
177.12701	4.9
179.08647	3.2
179.14355	3.5
181.10133	7.2
183.11691	11.1
184.07401	3.1
185.13338	9.1
187.11320	2.3
187.14864	4.3
189.12790	2.4
189.16437	2.5
193.10309	2.6
195.11700	6.0
195.13797	7.4
197.13295	8.2
199.14841	7.7
201.16409	3.7
207.11700	2.2
207.13803	2.0
209.13219	5.8
211.14816	5.3
213.16423	5.0
215.14264	1.9
223.14932	2.9
225.16431	3.5
231.17267	1.7
237.16460	2.3
239.17897	4.5
241.19559	5.0
249.16405	1.8
257.19012	6.9
259.20599	19.3
261.14511	1.6
261.21899	1.9
265.19403	1.8
269.17316	8.8
273.18555	2.4
275.20117	13.1
281.17538	2.9
283.20593	2.4
301.21506	2.4
311.23404	1.8
311.71536	1.8
315.23370	2.4
333.24243	11.9
335.25769	1.9
337.25415	1.7
349.23907	5.6
387.25275	1.7
435.32489	2.0
453.33057	2.5
513.35657	2.4
517.40686	2.0
527.37347	8.9
607.43555	3.6
609.37842	1.6
609.45264	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03900	2.3
61.02923	3.2
65.03934	6.5
67.05510	90.8
69.03429	10.4
69.07072	48.1
69.28754	17.6
71.04980	6.5
79.05498	81.5
81.03429	18.2
81.07059	100.0
83.04977	20.5
83.08615	18.2
85.02903	9.3
85.06538	7.2
85.59148	2.7
90.21331	2.5
91.05486	86.4
93.06479	5.5
93.07047	81.6
93.07635	4.0
95.04980	15.6
95.08614	56.0
97.02907	8.9
97.06539	22.5
97.10174	10.3
98.21478	4.2
99.08091	4.2
105.04516	5.4
105.07036	77.8
107.04953	11.5
107.08599	50.9
109.02920	4.0
109.06514	9.3
109.10164	26.2
111.08096	11.2
113.09644	2.8
117.07018	28.5
118.90777	2.9
119.08584	53.8
121.06516	5.4
121.10146	28.2
123.08054	7.7
123.11716	8.3
125.09635	11.4
127.03941	4.1
128.06252	5.8
129.05476	4.4
129.07019	17.8
131.08575	37.6
133.10133	49.9
135.08067	5.1
135.11703	24.6
137.09654	5.5
141.06993	5.3
142.07729	3.1
143.08615	17.7
145.06445	3.4
145.10115	28.6
147.07983	4.4
147.11685	23.6
149.09616	16.7
149.13246	18.4
151.11208	4.1
155.08578	9.9
157.10101	17.4
159.11688	28.1
160.13641	3.0
161.09680	3.5
161.13239	13.6
163.11157	13.0
165.12743	3.1
167.08600	3.0
169.10168	10.6
171.10341	3.7
171.11678	14.0
173.11842	4.5
173.13257	11.4
175.11205	4.0
175.14857	5.5
177.04666	2.6
177.12779	6.6
179.08644	2.5
179.14333	4.9
181.10034	3.6
183.11649	13.1
185.09660	3.0
185.11794	3.2
185.13219	12.8
187.11212	3.3
187.14827	2.6
189.11263	4.9
195.11803	3.6
195.13860	9.0
197.13251	8.2
199.14850	6.4
207.11821	2.7
209.13235	4.1
209.64261	2.5
211.14861	5.6
213.16428	5.0
213.52782	2.7
227.12762	6.3
229.19482	3.8
239.17973	5.6
241.19501	8.8
247.20697	3.7
255.15939	7.9
257.19022	11.6
259.20599	18.3
269.17484	28.7
275.20093	35.2
276.20187	3.1
333.24286	25.0
349.23886	20.1
367.24936	3.3
400.15543	3.3
429.56180	2.8
435.32950	4.3
449.29099	4.8
451.31778	3.4
463.30518	8.2
513.35657	15.8
527.37372	18.4
531.36859	3.6
543.36523	8.7
607.43848	16.2
625.44189	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.8
64.10566	2.4
65.03951	7.2
67.05510	100.0
68.05834	3.0
69.03449	11.5
69.07074	52.9
70.17777	2.5
70.18107	7.9
71.04981	7.1
73.02923	2.7
77.03926	3.6
79.05498	89.1
81.03411	13.2
81.07061	98.4
82.03339	2.8
83.04993	14.2
83.08643	19.0
85.02905	10.0
85.06548	5.3
91.05489	97.0
92.05802	3.5
93.06480	5.0
93.07050	78.3
95.04974	21.1
95.08616	55.7
97.02897	8.1
97.06538	17.0
97.10162	13.2
99.08107	5.4
103.05482	3.9
105.04502	3.6
105.07038	83.6
107.04959	11.9
107.08603	50.8
109.06513	7.0
109.10172	24.9
111.04416	4.8
111.08044	7.5
115.05463	4.1
116.06234	2.9
117.07037	29.8
119.08593	61.8
120.08871	2.7
121.06486	6.1
121.10152	32.6
123.08061	6.9
123.11702	6.0
125.09628	13.4
127.03912	5.3
128.06197	4.9
129.07018	19.3
130.07730	3.5
131.08577	41.7
133.10133	52.1
135.08060	7.4
135.11681	22.8
137.09641	4.8
139.11177	3.1
141.06966	6.3
142.07814	3.8
143.08571	19.2
145.04878	2.3
145.06485	3.4
145.10129	42.5
147.08101	4.3
147.11700	28.8
149.09637	15.3
149.13277	16.7
151.11208	3.5
155.08542	8.5
157.10179	17.3
159.11723	25.6
161.09578	2.8
161.13239	8.5
163.11166	11.3
165.12773	3.1
167.08693	2.9
169.10185	11.5
171.11671	18.8
173.13205	14.6
175.11200	6.2
175.14922	4.0
177.12749	4.5
179.14259	4.3
181.10132	7.8
183.11679	10.6
185.11784	2.6
185.13153	12.2
187.11174	3.3
187.14821	5.3
189.11241	6.4
195.11720	5.8
195.13817	7.0
197.13290	10.2
199.14847	6.4
201.16393	2.9
203.14360	2.3
211.14748	4.4
215.17906	2.4
221.13200	3.3
225.16331	4.0
227.12804	10.6
239.17987	6.0
241.19492	7.4
255.15817	3.4
257.19107	13.5
259.20599	15.4
267.15918	4.7
269.17426	17.7
275.17276	3.4
275.20084	37.4
276.20380	2.8
279.21176	2.6
291.19620	5.7
315.23093	3.2
329.21240	2.4
331.22754	2.5
333.24341	14.7
339.23178	2.6
349.23654	17.1
362.02649	2.5
365.23587	3.1
445.24228	2.6
513.35663	13.5
527.37238	9.2
543.36658	7.3
603.55292	2.5
607.43335	13.2
625.45013	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.1
65.03937	6.2
67.05509	89.5
69.03434	11.9
69.07073	36.2
69.28191	5.5
69.28613	8.9
71.04980	7.4
71.08642	1.9
73.02895	1.7
79.05499	83.6
80.05825	2.5
81.03425	15.7
81.07059	100.0
83.04527	2.3
83.04984	15.3
83.08625	18.1
85.02914	8.3
85.06538	5.3
91.05484	79.1
93.07051	78.3
93.07644	3.4
95.04982	17.5
95.08608	46.4
97.02896	10.4
97.06530	19.6
97.10162	8.8
98.21565	3.7
99.04470	3.2
99.08106	6.0
103.05448	4.2
103.70978	1.6
105.04484	2.0
105.07038	74.4
107.04974	10.9
107.08597	48.2
109.06516	11.0
109.10164	21.5
111.08088	8.5
113.09668	3.7
115.05437	3.3
117.06230	2.3
117.07034	31.9
119.08584	51.2
121.06482	6.5
121.10149	25.6
123.08060	7.3
123.11720	5.7
125.09627	5.3
127.03947	3.6
127.07565	1.6
128.06203	4.3
129.05511	3.4
129.07008	14.8
130.07767	2.9
131.08566	31.5
133.06448	2.6
133.10136	44.2
135.08047	5.4
135.11699	23.6
137.09587	3.8
139.07567	2.4
141.06946	4.5
143.08569	18.2
144.09229	2.0
145.06467	3.0
145.09048	2.4
145.10132	25.7
147.08081	3.9
147.11702	29.5
149.09651	12.4
149.13271	18.7
151.11130	5.5
155.08533	7.0
157.10152	13.1
159.08023	2.2
159.11687	24.5
161.09604	2.6
161.13257	14.8
163.11226	9.5
163.12447	1.6
167.08527	2.6
169.10081	9.2
171.08044	2.0
171.10362	2.5
171.11674	13.6
173.04449	2.8
173.13240	15.6
175.11224	4.4
175.14833	5.7
177.12764	8.7
179.14322	2.8
181.10129	3.3
181.12241	2.8
183.11684	6.4
185.13242	6.9
187.11177	2.3
187.14798	3.7
189.11118	2.4
189.12752	1.9
191.23982	1.6
193.12105	1.8
195.11746	3.6
195.13792	9.1
197.13260	7.5
199.14862	4.3
201.12737	2.0
203.14250	2.1
205.10045	1.7
207.13814	1.7
209.13402	2.3
211.14832	3.8
213.16452	2.6
215.17996	2.1
217.15898	1.8
219.13847	1.7
225.16344	2.3
227.12804	3.5
229.19612	2.8
233.15298	2.0
239.17966	2.9
241.19557	9.5
247.20474	3.2
253.14233	3.1
255.15753	8.9
257.18936	8.7
259.20587	21.3
267.16061	2.6
269.17419	28.9
270.43347	1.7
275.20090	24.1
281.17221	2.4
291.19455	3.9
297.21915	2.0
315.22995	2.1
317.99310	2.1
333.24292	23.1
349.23764	19.4
365.23520	2.2
367.25015	2.8
391.07556	1.9
449.29086	4.9
451.32578	1.9
453.34064	2.6
463.30630	8.0
471.35077	1.9
509.36282	2.4
513.36035	8.7
515.38452	2.3
527.37286	21.4
543.36456	6.5
545.38263	3.9
607.42804	5.5
625.44324	7.4
678.71729	2.1
857.45563	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	3.7
65.03934	6.6
67.05508	94.3
69.03426	7.2
69.07073	41.9
70.22998	7.8
71.04999	23.0
71.08618	1.9
73.02956	1.8
73.06512	2.0
79.05497	82.5
81.03416	14.5
81.07059	89.4
83.04980	8.4
83.08627	17.8
85.02917	9.0
85.06537	7.5
91.05486	100.0
93.07046	81.6
93.07930	2.1
95.04985	13.7
95.08611	63.1
97.02882	7.4
97.06527	17.5
97.10173	7.5
99.04436	2.8
99.08099	11.9
103.05467	4.0
105.04507	3.2
105.07035	85.9
107.04977	12.3
107.08602	52.1
109.02885	3.2
109.06522	11.6
109.10162	25.0
111.00280	2.2
111.08078	7.9
113.09637	4.4
115.05463	4.6
116.06242	2.7
117.07015	34.5
119.08591	58.1
120.08873	2.4
121.06502	5.9
121.10148	33.1
123.08080	7.0
123.11724	7.1
125.09632	6.7
127.03997	4.1
128.06230	6.0
129.05498	3.3
129.07002	25.4
130.07748	3.9
131.08575	48.1
133.06494	3.8
133.09132	3.2
133.10136	50.9
135.08066	7.0
135.11720	17.8
137.09634	5.6
139.11200	3.5
141.06989	8.5
142.07761	6.0
143.08583	25.5
145.06500	2.1
145.10123	38.7
147.08052	7.2
147.11694	23.8
149.09648	10.3
149.13252	8.1
151.11205	8.9
155.08543	14.5
156.09296	2.2
157.10159	27.0
159.11690	28.6
161.09590	4.4
161.13287	17.5
163.11189	10.5
163.14789	2.6
165.12747	3.1
167.08568	7.2
169.10126	17.1
171.10255	2.9
171.11687	20.3
173.04477	8.1
173.09618	2.4
173.13284	13.8
175.11224	5.3
175.14839	5.6
177.12784	5.7
179.08527	2.1
179.14224	2.3
181.10167	10.9
183.11716	19.5
185.13297	16.8
187.11255	3.9
187.13277	2.0
187.14830	8.5
189.12775	2.7
193.10144	3.3
195.11719	9.3
197.13264	10.9
199.11180	2.5
199.14864	9.7
201.12944	3.2
201.16528	3.0
207.11714	2.9
209.13264	6.2
211.14877	5.9
213.16399	5.7
215.18025	2.8
217.15923	2.6
221.13272	3.3
223.14896	5.3
225.16447	3.7
227.12691	3.2
227.18047	2.4
229.14194	3.6
229.19501	2.3
231.20981	2.6
235.14722	2.1
237.16423	5.1
239.18036	4.8
241.19519	12.0
247.20584	3.5
253.14413	5.6
253.19487	2.5
257.18988	9.0
259.20590	22.8
261.21838	2.2
267.15881	2.8
269.17468	6.8
271.17633	2.1
271.20676	2.9
273.18707	4.5
273.22144	2.3
275.20117	27.5
277.21857	2.2
279.21048	2.1
283.20462	2.8
289.21558	2.8
291.19495	3.7
295.20639	2.3
301.21805	2.2
309.22202	3.7
315.23206	8.2
327.23340	2.7
329.62152	1.9
333.24313	30.0
349.23962	16.3
365.23935	2.5
367.26041	2.8
381.26477	2.0
403.30035	4.1
413.21844	2.2
417.31500	2.2
421.30817	3.8
435.32639	7.3
453.33911	3.7
487.33911	4.0
495.34247	3.0
509.36200	2.5
513.35760	35.1
515.37677	3.3
527.37347	42.4
533.39734	4.4
551.41302	3.0
559.39056	3.1
594.45782	6.8
607.43658	37.5
625.44672	26.3
626.44336	2.6
635.39050	2.9
639.46100	7.2
649.43817	2.3
671.40784	2.8
689.42499	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	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93425	2.5
65.03952	8.8
67.05507	100.0
69.03423	9.3
69.07069	29.9
70.06595	18.6
71.04985	6.4
73.02948	3.3
79.05068	5.0
79.05498	71.1
80.05837	2.9
81.03420	11.7
81.06586	5.4
81.07061	89.3
83.04975	12.0
83.08633	23.4
84.04482	2.7
85.02891	7.6
85.06532	8.5
87.04455	5.8
87.46881	2.4
91.05483	99.0
93.07044	58.5
95.04967	39.7
95.08603	45.0
97.02888	4.1
97.06526	16.4
97.10162	17.8
103.05441	6.0
105.04541	2.6
105.07031	77.6
107.04959	18.2
107.08596	45.4
109.02811	3.9
109.06519	42.4
109.10158	37.8
111.08101	7.1
113.06018	14.7
115.05446	9.8
116.07085	24.2
117.07021	45.4
117.53976	3.4
119.04916	5.2
119.08572	45.3
121.06503	15.7
121.10131	20.6
123.04455	3.0
123.08075	6.9
123.11698	3.6
125.09609	14.0
128.06206	17.1
129.07004	31.8
130.07808	6.7
131.08572	78.5
133.06488	8.2
133.10153	31.2
135.08060	26.8
135.11710	16.4
137.09576	5.1
141.06973	9.2
142.07764	8.2
143.08560	63.0
145.06474	3.3
145.10123	75.5
145.11292	4.2
147.08035	12.4
147.11699	19.1
149.09641	15.6
149.13261	9.6
151.11201	4.6
155.08583	9.4
155.10612	3.2
157.10127	25.4
159.08075	5.9
159.11690	27.1
161.09610	14.1
161.13257	6.9
163.11200	12.3
167.08582	5.7
169.10143	12.0
171.11638	17.0
173.11769	6.8
173.13298	7.9
175.11214	6.8
177.12738	9.7
179.14331	3.4
181.10158	10.6
183.11671	12.7
185.13206	8.2
187.11131	3.9
187.14859	4.1
193.12230	4.2
195.11705	15.1
195.13533	4.0
199.11290	3.0
199.13156	3.6
199.14838	5.4
201.12698	5.0
209.13361	5.6
211.15108	2.8
213.12674	4.2
213.16435	3.7
215.14249	3.1
217.15892	7.4
227.12740	14.0
227.17932	4.9
229.14389	16.8
237.16357	12.3
255.17630	13.2
257.19058	9.3
259.20639	5.5
267.15723	3.4
269.17416	17.7
273.18503	74.6
273.21280	5.5
275.20059	36.8
283.15405	3.6
291.19559	50.5
309.68518	2.8
329.21292	6.3
342.35193	2.9
347.22177	48.1
349.23837	36.4
365.23288	12.5
367.24725	5.2
383.24445	5.7
501.31549	3.4
523.33704	4.2
527.33875	8.3
541.35449	32.7
545.34711	5.8
553.33667	4.5
559.36328	13.3
621.41461	32.5
630.47083	3.0
639.42578	25.1
657.43951	4.1
856.12640	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	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.4
67.05511	40.9
69.03439	11.1
69.07076	30.3
69.24799	8.8
71.04990	2.3
75.86765	1.0
79.05499	41.3
79.57770	0.9
81.03422	7.9
81.07063	41.6
83.04994	5.9
83.08629	10.5
85.02903	2.0
85.06556	2.3
91.05488	36.0
93.07053	35.3
93.07642	1.9
95.04974	8.0
95.08060	1.9
95.08618	21.7
97.02896	7.7
97.06539	5.4
97.10178	13.3
99.04460	1.3
99.08120	1.5
100.43919	1.1
103.05479	2.4
105.04548	2.4
105.07038	32.8
107.04963	8.9
107.08604	21.2
108.08953	1.1
109.06530	5.0
109.10163	11.5
111.08080	2.9
115.05469	3.5
116.06258	1.2
117.07033	13.8
119.08592	24.9
121.06538	5.3
121.10132	9.5
123.08073	5.2
125.09653	9.2
127.03949	1.4
128.06253	2.9
129.05508	2.1
129.07005	8.2
131.08575	16.7
133.06502	4.0
133.10147	18.2
135.08109	4.9
135.11693	7.1
137.09666	2.1
141.06956	2.1
142.87271	1.1
143.08601	7.3
145.10133	12.8
147.08069	6.2
147.11720	11.2
149.09636	5.5
149.13290	6.7
151.11197	1.8
153.09091	1.6
155.08533	3.6
157.10103	7.8
159.11696	10.7
161.09654	2.9
161.13258	7.6
163.11195	3.7
165.09206	1.5
169.10133	3.2
171.10475	1.0
171.11717	5.8
173.13306	4.2
175.11221	2.7
175.14839	2.3
177.12814	2.6
179.14339	1.9
181.10121	1.2
183.11781	1.9
185.13304	4.7
187.14841	3.1
189.11246	5.3
189.12747	1.3
195.11865	2.2
195.13809	2.8
197.13239	1.7
199.14828	1.6
205.12239	1.4
209.13423	1.1
213.16573	1.6
223.13281	18.5
227.12691	6.3
241.19522	6.4
245.18958	1.2
249.14801	3.1
255.17714	1.3
257.19009	2.5
259.20572	15.4
263.20316	1.4
269.17493	5.8
273.18588	10.3
275.20093	6.8
291.19571	100.0
292.19858	2.9
315.23346	2.1
331.22711	1.3
333.24255	11.4
349.23782	4.6
365.23218	19.7
366.23682	1.6
379.29871	2.1
469.85953	1.1
525.35669	1.3
543.36578	3.1
559.36285	10.5
596.60962	1.1
605.41986	1.2
623.43115	10.2
639.42889	1.3
657.41882	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.8
65.03936	4.5
67.05510	55.2
69.03437	11.9
69.07074	37.5
69.27195	6.4
69.27617	7.9
71.05000	3.2
74.52934	1.6
79.05499	54.1
81.03426	11.1
81.07063	62.2
81.07532	4.0
83.04989	9.7
83.08636	14.2
85.02895	3.6
85.06540	3.0
88.14915	1.4
91.05489	48.0
93.03416	1.7
93.07054	47.9
95.04562	1.4
95.04987	15.5
95.08614	24.9
97.02904	9.8
97.06532	10.7
97.10171	17.4
103.05469	2.3
105.07038	36.3
107.04977	12.2
107.08594	33.2
109.06496	8.2
109.10158	14.0
111.08096	5.8
115.05479	1.9
117.07048	16.4
119.05023	2.2
119.08575	21.8
121.06496	8.7
121.10168	11.0
123.04436	2.2
123.08078	7.4
123.11723	3.3
125.09657	12.6
127.03935	2.4
128.06224	3.1
129.07013	9.3
131.08586	19.5
133.06511	5.0
133.10146	25.9
135.08029	8.1
135.11719	10.9
137.09636	4.5
139.11224	2.2
143.08574	6.5
145.06454	3.5
145.10129	16.7
147.08060	9.8
147.11688	9.9
149.09630	10.0
149.13287	9.1
151.11223	8.4
153.08984	1.8
155.08493	2.3
157.10101	8.4
159.08063	2.0
159.11699	10.5
161.09679	3.2
161.13266	3.5
163.11179	6.0
169.10112	1.9
171.10153	3.2
171.11626	4.2
173.13206	4.3
175.11223	4.1
177.12791	1.8
179.10678	2.3
185.13197	1.8
187.11249	2.1
189.11221	7.0
195.13820	5.2
205.12308	2.6
210.52634	1.8
223.11403	2.4
223.13344	19.7
227.12828	16.8
239.17857	3.5
245.19058	2.1
249.14894	4.0
253.14420	12.3
255.15923	5.5
257.19012	6.0
267.15897	2.6
269.17529	14.8
273.18445	15.5
275.20074	22.8
291.19559	100.0
293.20865	2.6
333.24249	3.2
347.22089	3.9
349.23758	20.2
365.23251	43.2
396.73019	1.7
413.21439	2.1
423.23819	1.9
461.29044	2.4
494.06921	1.9
523.38159	1.5
535.32623	2.1
545.34637	14.5
559.36340	42.9
560.36444	2.6
605.08838	1.8
621.41595	2.9
639.42633	22.4
657.43408	2.7
864.89697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.3
65.03937	3.2
67.05508	65.1
69.03432	12.1
69.07072	42.8
69.31613	1.1
69.91868	6.0
71.04993	5.3
73.02910	1.4
79.05495	54.4
81.03421	11.6
81.07059	68.9
81.17667	1.1
83.04985	11.4
83.08622	15.3
85.02896	2.7
85.06535	4.0
89.03944	1.2
91.05484	57.5
93.07047	51.3
95.04978	14.1
95.08609	25.4
97.02890	10.7
97.06551	14.2
97.10175	16.4
99.04453	1.3
99.08115	2.3
105.04536	1.9
105.07037	41.7
107.04962	13.6
107.08598	37.3
109.02866	2.9
109.06534	9.1
109.10165	22.8
111.04430	2.1
111.08076	4.6
115.05459	2.8
117.07025	13.9
117.94974	1.2
119.04955	2.2
119.08596	29.8
121.06498	8.0
121.10159	15.3
123.08055	5.5
123.11695	4.3
125.09627	13.3
127.03937	1.6
127.07561	1.9
128.06207	2.0
129.07028	8.1
130.07771	2.4
131.08566	21.8
133.06476	5.5
133.10146	33.3
133.11104	2.2
135.08034	7.6
135.11708	10.2
137.09625	3.4
141.06978	1.9
143.08565	5.5
145.10135	14.9
147.08073	6.8
147.11690	11.0
149.08540	1.6
149.09631	11.3
149.13272	8.8
151.10272	1.2
151.11209	11.2
151.99690	1.2
153.09053	1.8
155.08595	1.9
157.10143	5.3
159.08017	1.5
159.11761	10.8
161.09604	6.4
161.13283	3.8
163.11198	6.2
165.09113	2.3
169.10126	2.9
169.12233	1.5
171.10278	2.3
171.11723	4.5
173.13271	4.5
175.11212	4.1
177.12778	4.9
179.10724	2.2
179.14354	1.9
181.10085	1.3
183.11606	2.7
185.09631	1.2
185.13229	2.6
187.11232	1.5
189.11295	6.5
189.12714	1.7
193.12177	1.6
195.12122	1.2
195.13773	6.1
197.13371	2.1
203.14281	1.6
205.12242	2.7
213.12552	1.4
223.13258	15.1
227.12770	11.9
239.17982	1.8
245.19054	3.4
249.14882	4.1
253.14386	17.2
255.15738	7.5
257.19034	7.0
259.20734	1.3
261.14819	1.2
263.16550	1.4
269.17477	25.6
271.15265	1.6
273.18488	21.2
275.20096	25.7
275.22839	2.3
291.19559	100.0
292.19794	2.9
347.22186	6.5
349.23779	16.3
365.23260	46.3
366.23575	1.3
367.24808	3.2
447.27344	2.0
541.35291	3.6
545.34784	18.7
546.34955	2.0
559.36346	65.2
560.36212	2.3
586.37878	1.3
621.41278	3.1
639.42645	19.0
657.43542	3.3
709.29858	1.4
763.46826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.4
65.03939	6.7
67.05507	94.3
69.03435	8.7
69.07069	27.5
71.00977	4.8
71.04998	8.0
77.03929	2.8
79.05493	78.9
81.03438	13.7
81.07059	97.6
83.04980	19.5
83.08636	9.6
84.08115	2.3
85.02895	3.3
85.06536	5.7
91.05482	100.0
93.07046	75.6
95.04964	18.6
95.07987	2.0
95.08606	38.4
97.02887	4.4
97.06531	8.3
99.04478	2.1
99.08108	2.8
103.05454	3.0
105.04514	2.8
105.07034	93.0
107.04962	14.5
107.08591	54.4
109.02843	1.8
109.06518	11.4
109.10157	53.1
111.08084	6.0
113.05991	2.8
115.05446	4.4
117.07024	23.3
119.08590	48.9
121.06530	9.7
121.10145	18.2
123.08059	6.0
123.11738	9.1
125.09641	2.2
127.03894	2.6
128.06256	4.5
129.05493	3.2
129.07030	9.9
129.42265	2.4
130.07768	2.4
130.08650	3.9
131.08563	32.8
133.06512	4.4
133.10135	90.9
135.08034	10.7
135.11696	12.9
137.09608	5.4
141.06931	3.9
143.08580	12.8
145.10120	19.8
147.08011	4.8
147.11703	22.8
149.09630	8.2
149.13300	9.3
151.11191	34.9
155.08560	3.6
157.10158	11.2
159.08081	2.4
159.11720	15.3
161.09628	6.0
161.13232	12.4
163.09889	2.0
163.11183	7.1
165.12756	1.8
167.08528	1.9
167.65889	1.8
169.10139	3.8
169.12244	5.7
171.11681	12.3
173.09628	2.9
173.13245	7.1
175.11238	5.4
175.14861	5.0
177.12819	2.8
179.10606	3.0
181.10141	1.9
183.11699	6.2
185.13214	6.0
187.11183	2.0
187.14836	3.7
189.12766	2.8
195.11703	3.1
195.13754	3.1
197.13370	2.8
203.14293	1.8
211.14966	3.3
215.12794	3.3
223.92891	1.7
232.00296	1.7
239.17963	3.4
241.19571	9.0
245.18948	3.0
253.14362	83.8
254.14661	2.2
255.17491	3.2
257.18973	6.6
259.20554	24.9
263.20010	3.0
269.17468	5.9
273.18481	15.7
275.20071	13.3
291.19611	12.6
315.23199	3.8
333.24200	23.2
347.22256	2.7
349.23904	9.0
365.23215	17.9
397.17114	1.8
447.26651	1.8
465.28296	2.3
511.34274	6.3
529.35626	10.6
541.35107	2.0
559.36542	11.3
623.42950	20.0
648.25995	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.2
67.05512	62.2
68.71359	1.2
68.84364	1.2
69.03442	12.4
69.07075	42.9
70.27872	1.4
70.75726	3.1
71.04974	4.3
73.02895	1.8
74.87693	1.3
79.05502	56.8
81.03078	1.1
81.03429	13.9
81.07065	70.4
82.23528	1.3
83.04992	10.7
83.08231	1.2
83.08626	13.8
84.19134	1.3
85.02895	4.0
85.06533	4.2
87.04457	1.1
91.05491	64.8
92.05824	1.8
93.07051	52.8
95.01315	1.4
95.04958	10.6
95.08619	33.3
97.02916	9.9
97.06532	12.6
97.10183	14.8
99.04494	1.5
99.08089	2.6
103.05433	3.3
105.04514	2.0
105.07043	54.6
107.04967	10.7
107.08604	34.1
109.06538	8.3
109.10162	21.6
111.04420	2.0
111.08104	3.4
113.05981	1.8
115.05437	3.7
116.06242	2.2
117.07029	23.3
119.04935	1.7
119.08593	42.4
120.05657	1.5
121.06535	7.8
121.10155	13.6
123.04478	1.7
123.08067	7.9
123.11686	3.6
125.09645	11.8
128.06229	3.4
129.05519	2.4
129.07007	10.4
130.07787	1.7
131.08585	26.0
133.06456	5.7
133.10144	34.7
135.08055	8.9
135.11694	10.9
137.09625	4.1
141.06923	1.6
142.07739	2.4
143.08575	9.9
144.09329	1.7
145.06511	2.1
145.10132	17.9
146.93596	1.1
146.94962	1.5
147.08070	7.6
147.11707	18.3
149.09619	7.0
149.13255	10.2
151.11208	7.5
153.09070	1.9
155.06105	1.2
155.08565	3.8
157.10158	6.8
159.08046	2.2
159.11699	13.1
161.09607	4.8
161.13271	9.2
163.11180	5.5
165.09154	2.5
169.10178	3.4
169.12268	2.9
171.10287	2.4
171.11662	10.9
172.93118	1.3
173.09596	3.0
173.11913	1.9
173.13242	6.6
175.11217	5.5
175.14850	3.9
177.12735	3.8
179.10620	1.9
179.14384	3.0
183.11673	4.9
185.13272	4.5
186.68390	1.4
187.11157	3.0
187.14835	2.4
187.74062	1.5
189.11177	5.1
189.12720	2.2
195.11768	1.8
195.13708	3.1
197.13232	2.8
198.17056	1.2
199.14871	3.0
201.12726	1.5
203.14348	1.5
205.12219	2.1
213.12756	1.4
217.15851	1.5
223.13284	14.0
227.12772	4.8
227.18022	1.9
229.19516	1.5
239.17889	1.8
241.19536	7.1
245.18979	2.4
249.14809	3.4
253.14343	14.2
257.18991	4.5
259.20605	18.3
269.17422	5.9
273.18524	15.2
275.20114	17.5
277.21744	1.6
291.19571	100.0
292.19980	2.9
293.21240	2.7
311.03607	1.5
315.23007	1.8
333.24298	17.5
347.22217	2.6
349.23792	8.3
365.23251	26.1
367.24564	1.9
503.33902	2.0
518.77802	1.3
525.35785	3.4
529.34564	1.8
543.36462	3.0
545.34558	3.4
559.36322	11.2
605.42377	1.8
623.43042	17.6
639.42383	4.1
641.43719	3.1
657.43005	3.3
766.18689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.4
65.03931	5.2
67.05504	97.8
69.03419	6.0
69.07069	25.9
71.04996	5.5
71.08624	2.7
73.02911	3.2
73.06551	5.1
77.03914	3.1
79.05491	70.7
81.03420	11.8
81.07056	100.0
83.04988	11.6
83.08625	12.1
85.02913	6.9
85.06544	3.0
91.05480	48.6
93.07046	72.0
95.04945	10.9
95.08607	85.8
96.13522	2.4
97.02897	5.3
97.06531	12.4
97.10178	5.9
98.74171	2.1
99.08079	4.2
105.07034	42.1
107.04966	5.2
107.08597	43.4
109.02879	3.4
109.06508	7.0
109.10149	28.5
111.08063	5.9
117.07059	14.4
119.08570	30.0
121.06492	3.8
121.10146	34.0
123.08067	4.0
123.11682	7.0
125.09615	4.1
129.07042	3.5
131.08556	21.6
133.06476	2.9
133.10144	22.9
135.07977	2.6
135.11681	21.0
137.09589	4.1
137.13258	3.5
144.09258	2.4
145.10059	16.1
147.11682	14.0
149.09628	4.9
149.13243	8.3
159.11684	13.8
161.13271	8.6
163.11087	3.1
163.14821	5.0
169.10153	2.3
173.04483	4.5
173.13246	8.4
175.14865	6.0
185.13292	3.3
187.14790	4.6
218.64055	2.6
223.16902	2.7
228.98018	2.5
255.15823	5.6
259.20505	2.8
261.22122	7.9
275.20013	5.6
275.23334	3.0
283.19040	6.3
285.22159	6.3
289.17926	3.2
297.20743	16.7
303.23184	24.6
335.25800	99.1
337.27313	6.6
341.24673	2.6
349.23785	4.4
363.21701	2.6
377.26767	17.1
381.23196	3.0
448.72055	2.9
499.38806	2.5
517.39185	3.2
529.38904	4.2
531.40295	4.7
533.37946	2.8
543.40460	17.1
557.41962	64.6
611.46576	3.1
623.42578	5.4
637.48663	21.6
655.48279	6.9
672.51630	5.8
889.15125	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	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.0
65.03941	4.0
67.05508	53.2
69.03430	10.5
69.07069	30.9
71.04977	3.8
79.05495	36.0
81.03419	9.7
81.07060	58.2
83.04984	9.4
83.08620	12.9
85.02914	11.4
85.06521	3.1
91.05483	54.7
91.51348	1.0
92.05007	2.8
93.07047	41.4
94.04132	0.9
94.07334	1.1
94.50431	1.0
95.01322	1.6
95.04967	17.2
95.08610	21.7
97.02895	8.4
97.06519	8.2
97.10180	11.6
99.04466	2.0
99.08105	1.1
100.03941	1.0
103.05455	2.0
105.04466	1.7
105.07034	41.7
106.06561	1.4
107.04957	12.6
107.08596	31.2
109.06513	10.2
109.10158	31.4
111.04454	3.0
111.08081	3.2
113.02368	1.2
113.06044	1.5
115.05446	2.6
117.05757	1.3
117.07027	13.9
118.06557	10.3
119.04927	1.2
119.08582	20.1
120.05747	0.9
120.08133	1.1
121.06501	10.9
121.10147	9.1
123.04462	1.4
123.08089	6.1
123.11713	6.4
125.09618	7.7
127.03877	1.0
127.07568	1.7
128.06233	2.2
129.07002	9.0
130.07799	1.8
131.08578	16.7
132.08061	1.0
133.06494	7.4
133.10139	44.1
134.07333	1.5
135.08064	9.6
135.11688	6.1
137.06052	0.9
137.09625	2.2
141.06973	2.3
142.07748	1.2
143.08578	6.9
145.06488	3.0
145.10114	11.7
147.08069	9.5
147.11687	7.2
149.09608	8.7
149.13243	1.4
151.07518	1.1
151.11195	19.8
153.09114	0.9
155.08530	1.4
157.10144	6.0
159.08035	2.0
159.11696	5.5
161.09639	7.4
161.13264	3.3
163.07619	1.4
163.11185	2.9
165.09093	2.7
165.12865	1.1
169.10159	1.6
169.12238	4.2
171.08023	1.1
171.10359	1.3
171.11703	3.9
173.09633	3.1
173.13260	1.1
173.16501	1.0
175.11217	5.8
175.14897	1.2
177.09132	2.8
177.12724	1.8
179.10649	1.9
179.14226	0.9
181.10036	1.4
181.12199	1.4
184.07268	1.2
185.09615	1.0
185.13268	3.3
187.11128	1.1
188.05566	1.5
189.11232	2.5
189.12718	1.9
193.12265	1.4
195.11758	2.0
195.13728	1.7
197.13449	1.1
199.11137	1.1
199.14844	1.6
202.15897	3.6
203.14156	1.1
204.16624	0.9
205.12132	1.1
215.12790	2.5
221.15111	1.3
223.13284	15.1
227.12695	4.5
227.17841	2.3
230.15417	29.2
233.15359	1.2
245.18932	6.5
248.16399	2.9
249.14819	3.5
251.12805	2.9
253.14366	56.0
254.14737	1.3
255.17522	2.4
259.20663	1.8
263.20105	3.1
271.15549	1.5
273.18512	42.5
274.18234	1.5
275.20059	3.6
289.18115	1.8
291.19550	100.0
292.19827	2.3
304.18939	2.4
309.20609	3.1
318.17148	1.5
329.21262	1.5
333.24191	2.7
347.22183	12.0
349.23608	2.1
360.18066	21.2
360.22333	1.9
365.23248	43.7
378.19055	2.4
434.21603	2.1
542.41748	1.2
543.33331	3.8
557.34424	1.9
559.32526	1.8
561.34149	11.2
575.35876	2.1
592.44208	2.1
623.42712	2.3
637.40869	11.2
655.41962	27.6
656.42126	1.9
672.44269	4.5
690.35034	1.7
690.45789	24.5
691.45996	1.6
852.51172	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	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.0
65.03941	4.0
67.05508	53.2
69.03430	10.5
69.07069	30.9
71.04977	3.8
79.05495	36.0
81.03419	9.7
81.07060	58.2
83.04984	9.4
83.08620	12.9
85.02914	11.4
85.06521	3.1
91.05483	54.7
91.51348	1.0
92.05007	2.8
93.07047	41.4
94.04132	0.9
94.07334	1.1
94.50431	1.0
95.01322	1.6
95.04967	17.2
95.08610	21.7
97.02895	8.4
97.06519	8.2
97.10180	11.6
99.04466	2.0
99.08105	1.1
100.03941	1.0
103.05455	2.0
105.04466	1.7
105.07034	41.7
106.06561	1.4
107.04957	12.6
107.08596	31.2
109.06513	10.2
109.10158	31.4
111.04454	3.0
111.08081	3.2
113.02368	1.2
113.06044	1.5
115.05446	2.6
117.05757	1.3
117.07027	13.9
118.06557	10.3
119.04927	1.2
119.08582	20.1
120.05747	0.9
120.08133	1.1
121.06501	10.9
121.10147	9.1
123.04462	1.4
123.08089	6.1
123.11713	6.4
125.09618	7.7
127.03877	1.0
127.07568	1.7
128.06233	2.2
129.07002	9.0
130.07799	1.8
131.08578	16.7
132.08061	1.0
133.06494	7.4
133.10139	44.1
134.07333	1.5
135.08064	9.6
135.11688	6.1
137.06052	0.9
137.09625	2.2
141.06973	2.3
142.07748	1.2
143.08578	6.9
145.06488	3.0
145.10114	11.7
147.08069	9.5
147.11687	7.2
149.09608	8.7
149.13243	1.4
151.07518	1.1
151.11195	19.8
153.09114	0.9
155.08530	1.4
157.10144	6.0
159.08035	2.0
159.11696	5.5
161.09639	7.4
161.13264	3.3
163.07619	1.4
163.11185	2.9
165.09093	2.7
165.12865	1.1
169.10159	1.6
169.12238	4.2
171.08023	1.1
171.10359	1.3
171.11703	3.9
173.09633	3.1
173.13260	1.1
173.16501	1.0
175.11217	5.8
175.14897	1.2
177.09132	2.8
177.12724	1.8
179.10649	1.9
179.14226	0.9
181.10036	1.4
181.12199	1.4
184.07268	1.2
185.09615	1.0
185.13268	3.3
187.11128	1.1
188.05566	1.5
189.11232	2.5
189.12718	1.9
193.12265	1.4
195.11758	2.0
195.13728	1.7
197.13449	1.1
199.11137	1.1
199.14844	1.6
202.15897	3.6
203.14156	1.1
204.16624	0.9
205.12132	1.1
215.12790	2.5
221.15111	1.3
223.13284	15.1
227.12695	4.5
227.17841	2.3
230.15417	29.2
233.15359	1.2
245.18932	6.5
248.16399	2.9
249.14819	3.5
251.12805	2.9
253.14366	56.0
254.14737	1.3
255.17522	2.4
259.20663	1.8
263.20105	3.1
271.15549	1.5
273.18512	42.5
274.18234	1.5
275.20059	3.6
289.18115	1.8
291.19550	100.0
292.19827	2.3
304.18939	2.4
309.20609	3.1
318.17148	1.5
329.21262	1.5
333.24191	2.7
347.22183	12.0
349.23608	2.1
360.18066	21.2
360.22333	1.9
365.23248	43.7
378.19055	2.4
434.21603	2.1
542.41748	1.2
543.33331	3.8
557.34424	1.9
559.32526	1.8
561.34149	11.2
575.35876	2.1
592.44208	2.1
623.42712	2.3
637.40869	11.2
655.41962	27.6
656.42126	1.9
672.44269	4.5
690.35034	1.7
690.45789	24.5
691.45996	1.6
852.51172	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	852.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.5
67.05507	29.0
69.03433	8.5
69.04710	0.8
69.07071	24.5
70.06595	0.6
71.04997	1.7
71.51786	0.9
77.03909	0.8
79.05498	25.8
81.03416	6.0
81.07059	24.7
83.04979	6.4
83.08631	8.0
85.02876	1.6
85.06533	2.0
88.32312	0.8
91.05485	23.1
93.06483	1.2
93.07046	18.6
94.04157	0.7
95.01318	1.1
95.04971	7.9
95.08614	14.1
97.02896	8.5
97.06545	5.8
97.10177	10.8
105.03374	0.6
105.07040	18.3
107.04968	10.9
107.08599	13.6
109.02887	0.9
109.06512	5.1
109.10166	7.7
111.04455	3.0
111.08098	2.2
113.06017	1.5
115.05468	1.4
116.07046	0.7
117.07033	9.5
119.04920	0.9
119.08586	13.3
120.05702	0.7
121.06507	4.5
121.10168	6.1
123.04478	0.7
123.05730	0.6
123.08054	3.7
123.11699	1.1
125.09626	8.9
128.06183	1.6
129.07016	5.3
130.07797	0.7
130.08669	0.8
131.08582	10.3
133.06490	3.9
133.10141	7.9
134.07294	0.9
135.08075	4.2
135.11685	3.3
137.05975	0.8
137.09619	2.3
141.07011	0.9
142.07825	0.8
143.08609	4.6
145.06494	1.6
145.10120	7.3
145.71419	0.6
147.08064	6.0
147.11673	5.1
149.09648	2.7
149.13268	2.8
151.07567	0.8
151.11166	0.7
155.08556	1.5
157.10133	2.6
159.08054	1.6
159.11713	5.2
161.09630	3.6
161.13242	1.6
163.11206	2.9
165.09126	1.8
169.10127	1.9
169.12228	0.8
171.10263	0.8
171.11697	2.4
173.09639	1.5
173.13287	1.9
175.11287	3.0
177.12718	3.3
179.14339	0.7
183.11705	1.2
184.07298	0.7
185.09569	0.9
185.13226	1.2
187.11148	1.1
187.14825	0.7
188.05582	0.8
189.11226	3.9
193.12259	0.9
195.11845	0.8
195.13777	1.0
197.13287	0.9
205.12286	2.1
205.15921	1.1
215.14299	1.0
223.13289	18.2
227.12718	6.3
227.17957	0.9
233.15352	2.1
244.40712	0.7
245.19034	1.5
249.14957	3.4
255.17424	1.1
259.20633	1.1
261.18417	1.6
263.20117	0.8
267.15939	1.1
269.17465	1.7
271.16971	1.8
273.18494	14.8
275.20120	3.2
279.15912	1.4
289.17914	5.7
291.19553	100.0
292.19968	2.6
313.27411	0.9
332.44916	0.6
333.24124	1.1
347.22183	3.0
349.23798	2.9
363.21478	3.3
365.23254	43.3
366.23401	1.2
535.32355	0.7
557.34686	4.9
563.36725	0.7
573.33777	1.1
575.36023	1.5
621.41614	4.9
623.43207	1.1
637.40997	3.8
639.42438	1.5
655.42102	40.6
656.41754	2.0
737.13245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07083	1.0
65.03946	2.9
67.05511	55.8
69.03429	5.7
69.07072	15.8
71.01334	1.6
71.04992	3.8
73.58284	1.1
79.05497	43.3
81.03438	9.7
81.07062	62.1
83.04989	11.4
83.08625	6.4
84.08148	10.0
85.02898	1.6
85.06544	5.9
91.05485	59.2
93.06482	2.3
93.07052	41.6
95.04977	10.4
95.08612	24.0
97.02886	2.5
97.06548	6.8
97.10165	2.2
99.04438	2.0
103.05469	3.3
105.04492	1.7
105.07038	52.7
107.04963	12.1
107.07880	2.2
107.08601	41.4
109.02919	1.5
109.06530	8.1
109.10162	47.6
111.04403	1.3
111.08086	3.2
113.05990	1.8
115.05428	2.1
117.07019	12.2
119.04971	1.3
119.08582	13.6
121.06528	10.4
121.10157	9.5
123.04447	1.7
123.08070	6.0
123.11697	8.5
125.09620	2.1
127.07569	2.4
128.06229	3.2
129.07014	6.2
130.07739	1.8
130.08641	19.2
131.04944	1.8
131.08575	18.2
133.06517	6.6
133.10138	68.9
135.08057	11.8
135.11703	5.4
137.09584	2.3
142.07800	1.9
143.08597	7.9
145.06447	1.8
145.10121	10.5
147.08022	4.8
147.11685	4.8
149.09648	8.0
149.13300	1.5
151.11203	36.9
155.08508	1.4
157.10126	3.9
159.08015	3.2
159.11710	4.0
161.09621	8.0
161.13286	3.3
163.07565	1.7
163.11145	3.7
165.12730	1.2
169.10071	1.6
169.12263	8.1
171.11717	4.6
173.09612	2.2
173.13287	2.6
175.11191	5.1
177.09103	3.2
177.12746	2.0
179.10696	4.2
183.11705	1.7
185.13208	2.3
189.12677	2.8
193.12123	1.9
195.11774	1.9
197.11731	1.4
203.14297	1.8
215.12764	4.1
227.17963	2.4
229.73976	1.0
237.16656	1.2
245.19073	5.9
251.12817	2.0
253.14369	100.0
254.14793	2.0
255.17430	4.6
263.20117	4.9
271.15350	3.6
273.18500	40.0
275.20035	2.0
291.19543	30.1
309.20633	3.2
328.29938	1.2
329.21179	3.0
347.22162	12.4
365.23273	30.9
365.27875	1.5
403.25140	1.7
421.25992	2.5
449.25360	12.4
543.33197	7.5
561.34406	9.1
637.41138	6.4
655.31317	1.5
655.42059	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.2
65.03943	3.0
67.05511	55.1
69.03428	11.3
69.07075	26.3
71.04990	5.3
79.05499	39.8
81.03433	8.7
81.07063	51.9
83.04997	7.5
83.08627	10.1
83.89264	1.1
84.08148	8.4
85.06532	2.6
91.05489	48.0
93.06481	2.1
93.07052	32.4
95.04971	13.5
95.08609	18.5
97.02908	6.7
97.06522	5.4
97.10178	10.4
99.04452	1.1
99.08144	1.1
99.42053	1.0
103.05488	1.9
105.04538	1.6
105.07039	39.8
107.04973	11.0
107.08603	27.1
109.02860	1.0
109.06522	6.2
109.10159	32.5
111.04449	1.1
111.08091	3.3
113.06033	1.0
115.05442	2.4
116.06234	1.0
117.07014	10.1
119.05000	1.1
119.08585	17.3
120.05770	1.1
121.06523	7.4
121.10147	7.4
123.04481	1.4
123.08087	4.9
123.11718	5.6
125.09637	6.9
127.07580	1.6
128.06227	2.6
129.07019	5.0
130.08650	10.4
131.08569	13.1
133.06516	6.2
133.10139	39.5
135.08075	8.3
135.11694	5.0
137.09621	3.3
142.07707	1.5
143.08554	5.9
145.06464	1.7
145.10149	7.6
147.08063	7.1
147.11705	4.4
149.09590	5.2
149.13295	2.2
151.11203	20.0
157.06519	1.0
157.10132	4.4
159.08092	2.1
159.11703	4.1
161.09622	6.5
161.13229	2.3
162.10526	1.0
163.11180	2.8
169.10219	1.1
169.12251	4.4
171.11679	1.8
173.09598	1.3
173.13239	1.3
175.11215	3.7
177.09109	1.6
177.12764	2.3
179.10709	1.8
183.11707	2.5
185.13272	1.5
187.11308	1.3
189.11253	2.8
189.12759	1.2
195.13704	1.2
197.11766	1.2
205.12331	1.8
215.12773	2.1
223.13266	13.1
227.12724	3.6
227.17967	1.8
229.34354	1.3
245.18971	3.6
249.14903	3.3
251.12738	2.8
253.14374	83.7
254.14677	1.5
255.17508	2.7
263.20090	3.4
273.18515	33.8
291.19568	100.0
292.20001	2.3
333.24100	1.4
347.22198	9.3
365.23257	48.5
366.23611	1.1
491.39462	1.4
543.33008	4.3
559.32819	1.3
561.34204	18.0
637.41016	6.1
655.42114	25.7
656.42957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.7
61.02927	21.0
63.78026	2.8
65.03936	8.2
67.05509	100.0
68.05831	3.1
69.03439	39.5
69.07068	23.5
70.06595	3.7
71.01357	4.8
71.04999	12.8
71.51031	2.8
71.51389	3.0
73.02922	12.2
77.03912	4.6
79.05067	5.3
79.05500	67.5
81.02987	5.4
81.03427	60.8
81.07063	93.6
82.07448	2.7
83.05000	18.5
83.08620	16.9
85.02916	34.7
85.06552	7.4
91.03956	9.9
91.05489	75.5
93.07057	58.6
94.25361	2.7
95.04977	25.4
95.08612	48.4
97.02905	41.9
97.06545	15.5
97.10191	14.4
99.04469	13.6
99.08116	2.8
101.02396	4.6
103.03987	3.1
105.04512	3.6
105.06395	5.2
105.07049	66.5
107.04956	13.0
107.08603	34.2
109.02892	14.4
109.06503	15.6
109.10166	39.0
111.04435	5.4
111.08088	8.5
113.06030	4.3
115.05477	10.4
116.06283	3.2
117.07029	33.8
119.08591	45.6
121.06505	6.8
121.10168	26.1
123.04462	6.8
123.08087	10.0
123.11700	7.0
125.09624	5.6
127.03920	24.5
128.06230	13.4
129.05482	6.5
129.06995	24.6
130.07782	5.9
131.08580	59.9
133.06506	8.0
133.10147	30.1
135.08098	8.1
135.11694	16.3
139.03915	6.8
139.11191	3.5
141.06992	11.2
142.07797	5.9
143.08572	44.9
145.05014	6.4
145.06461	6.7
145.10139	58.5
147.08069	9.1
147.11696	21.0
149.02382	4.5
149.09647	7.7
149.13312	9.7
151.11169	5.4
155.08572	12.1
156.09344	3.0
157.06630	3.3
157.10147	28.2
159.08063	6.4
159.11700	28.6
161.09619	8.8
161.13280	6.0
163.11205	8.4
165.12834	3.9
166.19925	2.9
167.08614	8.3
168.09428	3.0
169.10127	21.0
171.11674	22.1
173.04507	27.3
173.09604	5.8
173.13266	11.8
175.11198	6.3
175.14827	4.3
177.12808	7.2
179.14285	3.8
181.10147	9.4
182.10835	5.0
183.11731	15.5
185.09717	3.9
185.13283	12.3
187.11292	4.2
187.14864	5.8
189.12697	3.5
193.05000	5.0
193.10118	5.7
195.11755	13.1
195.13554	2.7
197.09741	3.3
197.13264	7.9
199.13223	3.8
199.14902	8.3
207.11797	2.9
209.13306	6.5
211.14986	4.7
213.12796	3.8
221.13353	3.8
223.14848	5.0
227.12669	3.3
227.18037	4.1
229.14244	19.3
233.15431	4.1
237.16409	8.2
239.18056	3.6
249.18280	3.0
255.17574	7.4
256.26553	3.6
257.19043	3.3
259.20651	3.9
261.22220	3.4
267.15903	5.1
269.17535	3.7
273.18539	27.1
275.20111	4.0
289.18082	12.0
291.19586	14.5
301.21872	4.9
311.23758	4.2
335.25793	4.3
347.22095	14.3
349.23544	5.3
350.24536	3.1
363.21655	5.9
399.23953	9.7
417.31964	3.4
435.32617	11.1
453.33731	6.7
471.34433	9.2
501.32236	3.9
509.36188	7.7
517.38794	10.8
519.33807	3.4
527.37335	95.5
528.37927	4.8
529.38977	6.5
543.36609	3.5
545.38416	26.6
551.37494	3.4
569.37817	3.6
635.39642	7.2
637.39960	3.5
653.40112	8.2
661.82953	3.4
671.41388	15.7
689.42804	27.8
741.24500	3.0
851.42780	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	851.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	18.8
64.20808	2.3
65.03939	5.1
67.05511	68.5
69.03432	37.7
69.07062	26.7
70.06588	3.1
71.04977	9.5
71.08598	2.8
72.34111	2.0
73.02911	7.5
79.05067	3.7
79.05498	46.1
81.03423	50.1
81.06590	4.7
81.07061	71.6
81.13080	2.2
83.04974	17.2
83.08629	16.6
85.02904	33.6
85.06522	2.4
87.59574	2.4
88.07623	2.9
91.03947	8.5
91.05481	51.6
93.06481	3.5
93.07048	51.7
95.04987	18.5
95.08610	39.5
97.02898	39.6
97.06535	10.1
97.10151	10.7
97.32200	2.2
99.04460	9.8
99.05045	1.9
99.08094	2.4
101.02384	4.1
102.09201	2.3
103.03909	2.7
103.05463	2.6
105.04532	2.1
105.07030	50.2
107.04947	10.0
107.08590	25.0
109.02869	13.3
109.06524	15.9
109.10162	23.0
111.04443	4.2
111.08090	4.6
115.05459	4.4
117.07027	28.5
119.08588	32.7
121.06480	5.7
121.10158	20.7
123.04403	5.2
123.08063	8.2
123.11726	6.4
125.09644	5.2
127.03942	23.2
128.06186	7.6
129.05490	5.3
129.07010	20.0
131.08580	35.1
133.06505	6.0
133.10136	22.2
135.08076	11.1
135.11696	14.3
137.09639	5.0
139.03883	4.3
141.06985	7.3
143.08560	23.5
145.04945	4.4
145.06511	5.8
145.10136	29.9
147.04411	3.8
147.08034	5.3
147.11687	20.3
149.02380	4.6
149.05969	2.6
149.09642	7.2
149.13249	7.1
151.03906	2.9
151.11182	2.8
154.07637	2.4
155.08609	13.7
157.10106	20.9
159.08008	6.4
159.11717	20.9
161.09598	4.8
161.13249	8.0
163.06071	2.6
163.11183	6.9
165.05499	2.5
165.12723	6.8
167.08562	5.2
169.10150	11.8
171.11694	23.5
173.04463	24.5
173.13268	11.4
175.04005	4.2
175.11198	3.7
175.14775	2.4
177.12775	4.7
179.08482	3.8
181.10138	6.6
183.11726	11.0
183.88171	2.8
185.09637	2.5
185.13306	9.0
187.11189	3.2
187.14856	4.1
189.12669	3.1
193.04965	6.9
195.11720	10.1
197.13257	10.8
199.11247	2.6
199.14873	7.4
207.11662	4.1
209.13254	6.3
211.14813	4.9
213.12677	3.4
213.16513	3.7
217.16010	3.7
223.14810	3.5
225.12843	2.9
225.16457	3.9
227.17949	3.8
229.14395	7.4
237.16437	5.4
256.26315	3.8
259.20605	3.6
267.15881	6.6
273.18536	15.3
291.19586	23.1
297.21786	2.7
321.08740	2.7
335.25891	5.9
347.22226	6.6
349.24844	2.8
365.23322	6.6
435.32510	8.8
453.33475	10.7
471.34503	7.4
509.36176	7.5
515.36926	2.6
517.38837	17.0
527.37347	100.0
528.37671	4.3
529.38727	6.9
545.38611	24.3
561.35968	2.8
569.38062	3.4
579.35895	2.8
593.38074	2.8
635.39514	4.8
637.40424	3.6
653.40094	8.6
655.41705	6.7
671.41711	11.0
689.42676	30.6
769.73151	2.7
775.61395	2.7
833.46808	3.3
851.41840	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	851.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	15.7
65.03954	3.9
67.05511	47.2
69.03439	31.4
69.07078	12.6
70.73058	2.1
71.01370	3.8
71.04994	8.5
71.50816	2.1
73.02918	9.1
79.05499	29.3
81.03426	48.1
81.07063	49.5
82.07407	2.4
83.04993	9.6
83.08614	8.8
84.05349	1.8
85.02906	22.2
85.06555	3.6
91.03967	9.8
91.05486	32.3
93.07057	35.2
95.04953	5.6
95.08613	32.4
97.02900	35.5
97.06547	5.1
97.10183	3.6
99.04472	8.7
101.02386	3.1
103.05484	2.8
105.04527	2.2
105.07052	33.9
106.07350	2.3
107.04961	3.6
107.08582	22.0
109.02895	9.0
109.06516	5.0
109.10162	12.6
111.04465	3.3
111.08058	3.6
112.80772	2.2
117.07014	16.8
119.08587	24.8
121.06497	3.4
121.10133	12.6
123.04411	2.6
123.08044	3.0
123.11684	4.2
125.09608	2.5
127.03931	20.5
129.05513	5.5
129.07004	15.0
131.08585	20.5
132.57410	2.0
133.06541	3.4
133.10149	18.4
135.08116	3.5
135.11699	8.3
141.06993	4.7
142.07793	4.5
143.08578	18.0
145.04961	3.0
145.10139	19.6
147.08066	2.7
147.11690	13.2
149.09666	3.6
149.13280	6.3
151.11137	3.0
155.08591	11.2
157.10139	12.7
159.08054	2.8
159.11755	15.6
161.09637	2.2
161.13275	4.6
165.12715	4.0
167.08626	3.8
169.10149	7.8
171.11699	12.9
173.04497	27.4
173.13307	9.5
179.08557	2.6
179.14359	2.8
181.10065	5.5
183.11624	14.8
185.13300	8.0
187.14772	4.1
195.11728	7.5
197.13322	8.0
199.14862	4.8
207.11736	5.0
209.13348	2.7
211.14758	2.2
213.16454	4.3
221.13167	3.1
223.14935	2.8
228.97926	2.1
229.14415	2.3
234.57681	2.2
235.14787	2.7
245.70885	2.4
253.19644	2.5
259.20593	4.3
267.15802	2.3
269.10608	2.6
276.20746	2.5
291.19257	2.3
328.34207	2.3
335.25992	2.3
365.97916	2.2
407.33246	2.9
417.31302	3.5
425.34158	4.4
435.32587	8.4
443.35138	2.8
453.33707	6.6
471.34479	8.0
483.33914	2.7
499.37421	2.5
501.34720	2.2
509.36313	4.1
517.39020	15.2
525.35608	2.9
527.37372	100.0
528.37872	6.1
529.38721	6.4
545.38684	20.8
551.37299	2.9
653.39990	3.8
671.41437	9.4
689.42474	27.4
690.42841	2.5
851.47125	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	851.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.1
67.05492	1.5
68.99782	12.1
70.04380	2.5
71.04981	1.2
71.51828	1.2
72.44855	1.2
79.05503	3.9
81.03421	4.2
89.03920	2.8
91.05485	8.5
93.03384	1.5
95.04974	5.3
107.04967	79.1
109.02876	6.6
111.00802	7.5
111.04459	11.0
117.03403	1.5
119.04955	49.8
121.02892	6.9
123.04442	86.0
124.04830	1.4
127.03930	100.0
131.04924	7.0
133.06497	5.2
135.04431	58.1
137.02335	6.2
137.05980	1.8
139.03920	54.5
141.07039	2.2
145.06482	7.9
147.04419	58.2
149.02351	9.2
149.06017	3.6
151.03925	26.2
155.04883	1.6
155.60246	1.4
157.06503	6.1
159.04453	4.8
161.05984	8.3
163.03922	47.3
165.01868	2.8
165.05515	7.0
165.06912	2.1
167.03450	15.2
169.06487	3.6
171.04391	7.8
173.06021	6.4
175.03902	5.7
176.04686	2.6
177.05513	9.6
179.03409	19.4
183.04393	1.9
185.06015	5.4
187.03886	10.3
187.07654	2.1
189.05548	9.9
190.02609	2.0
191.03409	14.8
193.04938	3.6
197.06010	8.9
199.07535	1.7
200.04526	1.6
201.05478	10.3
203.03401	16.5
203.07040	3.1
205.04971	4.2
207.06564	2.0
211.07527	2.5
213.05499	7.1
215.03389	6.8
215.07028	6.0
216.04080	3.1
217.04956	4.6
223.02357	2.8
225.05515	4.5
227.07057	4.7
229.04941	13.5
231.02971	2.9
231.06535	32.4
233.04454	5.8
239.07001	5.9
241.04944	2.8
241.47032	1.3
243.02907	1.8
243.06560	21.2
244.03717	9.5
245.04486	37.8
245.08218	2.4
247.06027	41.5
247.08476	2.6
253.05008	3.8
255.06578	14.5
257.04507	22.2
257.07660	2.7
258.05328	2.7
259.06015	5.3
261.04010	1.5
261.07504	1.7
267.06537	20.1
269.04480	12.8
269.07489	1.6
269.08029	1.4
270.05182	2.5
271.06021	25.6
273.04224	2.8
273.07578	39.6
274.04797	19.6
275.05472	15.7
279.06595	4.1
281.04416	4.1
281.08261	1.3
283.06125	3.3
285.03961	13.2
285.07593	22.5
286.04721	3.9
287.05511	30.0
287.08792	1.4
288.05872	2.2
289.07095	16.1
291.08661	34.6
295.05960	3.3
297.04202	3.0
297.07642	5.1
299.05469	10.3
301.07050	2.0
303.05069	4.9
303.08740	3.9
307.06067	3.8
309.03964	3.6
311.05518	2.7
315.05072	2.6
315.08679	3.5
321.07584	3.0
323.05612	2.7
323.09039	2.7
327.05032	1.9
345.07437	5.2
347.09219	2.5
349.07129	4.3
351.04968	4.6
357.07196	1.8
363.08658	7.2
365.10202	2.1
367.08347	9.0
373.07211	2.9
375.08844	1.8
379.08154	3.0
391.08182	44.3
392.08664	2.1
393.09940	36.9
395.11249	8.0
401.06308	2.0
403.08185	9.5
405.05313	6.3
405.10306	3.7
409.09171	26.4
411.10797	15.1
415.07864	1.9
417.09988	3.5
421.09253	24.9
427.10364	7.9
433.09198	5.3
435.11176	6.4
451.10080	2.2
501.11407	4.8
511.10229	3.0
525.11902	3.8
527.09576	3.3
529.11072	3.6
543.12592	2.8
545.10474	7.0
555.12952	1.9
557.10553	1.6
561.13641	3.9
563.15259	6.1
603.91467	1.6
663.14612	2.0
681.15710	4.9
697.15576	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	851.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55383	1.0
65.03937	4.0
67.05502	1.8
68.99786	14.1
69.53986	1.1
71.50844	2.2
71.51202	1.3
73.00066	1.1
79.05490	3.1
81.03403	4.1
83.04965	1.8
85.02882	2.5
91.05502	9.8
93.03381	2.7
95.04958	10.1
105.03381	1.5
105.07063	1.5
107.04959	100.0
108.05287	1.2
109.02863	3.9
111.00804	10.2
111.04435	5.3
115.05419	2.5
117.06969	1.3
119.04942	65.2
121.02880	7.9
121.03612	1.0
121.06496	1.9
123.04434	70.5
127.03921	75.4
128.06233	1.4
131.04922	4.1
133.06500	6.9
135.04422	44.9
137.02333	5.4
137.06010	2.4
138.00539	1.3
139.03906	66.6
143.04922	2.4
145.02834	1.5
145.06503	8.6
147.04413	47.2
149.02350	16.5
149.05991	3.9
151.03905	23.5
157.06494	8.7
159.04433	3.4
161.06012	10.9
163.03917	58.3
164.04355	1.3
165.01915	1.7
165.05518	7.4
165.06699	1.6
167.03439	14.8
167.04805	2.2
167.99980	1.1
169.04912	1.5
169.06422	2.2
171.04366	8.0
173.06007	5.1
175.03867	5.5
177.05511	9.5
179.03395	14.6
181.04935	3.1
181.06421	2.4
183.04266	2.4
185.05971	7.8
187.03937	10.3
187.07513	3.5
189.05496	10.6
191.03375	16.9
193.05003	3.0
197.05983	5.3
199.07571	2.2
201.05450	7.5
203.03412	20.0
203.07065	4.5
205.04938	2.9
207.02951	1.7
207.06544	1.9
209.06050	2.0
213.05518	8.6
215.03389	5.5
215.06950	6.2
216.04105	1.3
217.05003	4.8
223.02393	1.7
225.05440	2.1
227.03386	1.7
227.06938	6.4
229.05040	14.8
229.07162	1.7
231.06514	59.8
233.04504	7.9
235.02432	1.8
237.05299	2.0
239.03407	1.6
241.04893	4.5
243.02840	1.7
243.06566	9.1
244.03700	1.9
245.04465	71.4
245.08234	2.5
246.04860	1.8
247.05997	22.4
253.04947	3.1
255.06520	17.6
257.04453	20.7
258.05048	2.0
259.06024	13.9
263.05377	2.6
265.04941	2.7
267.06549	4.3
269.04407	7.9
271.05988	20.4
273.04236	1.6
273.07562	24.1
274.04745	3.6
275.02603	2.1
275.05499	34.4
279.06549	2.6
281.04315	2.8
283.05991	15.0
285.04025	3.4
285.07693	4.4
287.05438	27.8
288.05640	1.3
289.07053	19.7
291.08664	28.6
295.05917	4.3
297.04153	2.7
297.07513	3.1
299.05524	9.2
301.07040	17.2
303.05316	2.0
303.08694	3.4
307.06140	4.0
309.03885	2.2
309.07394	1.8
311.05392	2.3
313.07123	1.9
321.03778	1.5
323.05432	4.2
345.07242	1.5
347.09183	2.0
351.05145	4.5
361.07147	2.0
363.04852	1.5
363.08798	1.5
365.06415	1.7
365.10477	2.0
375.08670	1.7
379.08148	4.5
381.09683	10.8
383.07864	2.9
389.06238	2.6
391.08038	5.7
393.05701	4.1
393.10056	16.0
395.07309	2.3
403.08057	2.8
405.05930	5.5
407.02829	1.8
407.07599	22.6
409.09210	29.1
410.09317	1.9
411.11002	8.2
414.05453	1.3
417.09778	3.6
419.07559	3.9
421.09161	7.9
425.08740	8.4
427.10254	20.5
433.09207	2.0
435.10532	3.5
437.08383	9.3
439.10306	3.4
449.09155	1.6
451.10324	3.0
501.11765	4.1
511.10077	3.9
519.12384	3.3
525.11530	1.9
527.10211	3.1
545.10449	7.8
561.13959	3.5
573.13605	1.7
579.14813	5.5
681.15442	3.4
683.17395	1.5
762.98816	1.4
849.11511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.5
65.03942	0.6
67.05178	0.4
67.05508	5.1
69.03434	2.4
69.07065	1.9
69.26138	2.8
71.01361	0.6
71.05003	0.3
71.08654	0.5
73.02918	2.7
79.05499	3.7
79.81873	0.3
81.03425	2.1
81.07061	5.4
83.05004	0.4
83.08627	1.1
85.02908	4.8
85.06575	0.3
86.09697	0.4
87.04477	0.4
91.03967	2.4
91.05476	3.5
93.07058	4.7
95.04996	1.0
95.08614	3.9
97.02904	4.1
97.06551	0.5
97.10177	0.6
99.04464	0.9
101.02393	1.4
103.03957	0.3
105.07044	2.8
107.08591	3.1
109.02883	0.7
109.06561	0.5
109.10138	1.4
115.03863	0.3
117.07047	0.9
119.08601	1.7
121.10126	1.7
123.08106	0.3
125.09689	0.5
127.03953	1.6
131.08601	1.1
133.10098	1.6
135.08093	0.3
135.11745	1.1
143.08656	0.4
145.10146	0.9
147.11697	0.9
149.13266	0.4
155.38158	0.3
159.11708	0.4
161.13254	0.5
168.15282	0.3
171.11562	0.3
184.07428	0.6
185.04353	0.6
187.14899	0.3
212.52362	0.3
243.08430	2.6
259.20761	0.4
301.09036	0.8
315.10651	0.6
333.20490	0.5
335.22150	0.9
335.25845	0.5
351.21585	1.4
391.24731	0.3
401.59122	0.3
439.19537	0.4
495.47089	0.4
519.29309	3.7
535.28992	3.0
537.31366	0.3
548.46082	0.4
551.28546	0.7
553.29974	2.8
569.28918	1.5
591.22839	0.4
625.32355	0.5
667.45197	0.4
777.43665	0.4
847.51788	100.0
848.51971	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	846.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.7
61.05048	0.5
61.49786	0.5
61.90887	0.5
65.03926	1.3
67.05506	21.7
69.03418	0.8
69.06781	0.5
69.07076	5.1
71.04984	0.8
73.06535	1.1
77.03918	1.1
79.05494	37.5
81.03423	5.2
81.07058	18.0
83.04980	6.7
83.08621	3.5
85.02908	2.7
85.06538	1.4
91.03951	1.2
91.05482	29.6
93.07044	33.6
95.04970	9.9
95.08604	13.0
97.02889	1.0
97.06543	2.4
97.10172	2.2
103.05415	0.6
105.04518	1.6
105.07036	20.8
107.04958	3.0
107.08598	9.0
109.06512	3.5
109.10169	2.5
111.08073	1.2
117.07030	4.3
119.08591	13.6
121.06506	2.4
121.10147	2.3
122.23840	0.5
123.04483	0.5
123.08037	3.4
127.03943	0.7
127.07544	0.9
128.06218	1.4
129.07007	9.3
131.08560	1.7
133.06506	0.8
133.10118	5.6
135.08041	0.6
135.11708	1.7
143.08585	6.0
145.10126	5.3
147.08049	1.7
147.11690	21.3
159.11713	0.6
161.09621	3.4
161.13280	6.7
163.11221	1.1
171.11696	15.6
176.10764	1.9
179.14290	0.9
189.12743	7.1
204.13971	0.6
207.13806	15.4
219.38272	0.4
225.14790	1.0
237.41301	0.5
263.16473	0.9
272.20007	0.8
281.17474	37.4
282.17831	0.9
334.23801	6.1
374.27213	0.7
409.19971	0.5
469.29391	2.2
487.30566	100.0
488.30817	5.1
552.32025	0.7
846.53607	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02851	4.9
67.02608	0.6
67.05424	4.8
69.03348	2.9
69.06985	2.3
73.02830	4.4
79.05403	7.4
81.03333	2.7
81.06969	5.8
81.07475	1.2
83.04883	1.4
83.08546	1.4
85.02823	5.4
87.04398	0.7
91.03960	4.1
91.05389	7.4
93.06954	7.3
95.01007	0.6
95.04877	1.5
95.08502	3.6
97.02897	4.0
97.10131	0.8
99.04382	0.9
101.02270	2.4
105.07050	4.7
107.08595	2.9
108.93046	0.6
109.02825	0.8
109.10096	1.5
117.06944	1.6
119.08617	3.1
121.10018	2.1
127.03843	1.5
127.39677	0.6
129.06932	0.8
131.08464	1.7
133.10020	2.7
135.11641	1.0
143.08437	0.7
145.10057	1.5
147.11565	2.7
149.13248	0.7
159.11554	0.8
161.13200	1.6
171.11600	1.9
184.07321	1.4
185.04170	1.1
201.03656	0.9
203.05197	0.7
206.47778	0.8
243.08411	4.8
247.12929	1.7
259.20493	1.0
273.14655	0.7
281.17340	0.8
301.08829	2.3
315.10364	1.4
315.38184	0.8
317.20822	1.6
323.49991	0.6
357.15137	0.7
370.77246	0.6
371.16785	1.6
373.11124	1.4
385.18213	0.8
385.28757	0.7
397.18243	0.7
429.17529	0.9
435.19888	0.8
465.20978	16.0
533.27527	1.8
535.28827	12.6
536.29333	1.3
537.23248	2.0
551.27899	2.7
579.36316	0.8
585.14667	0.6
593.28833	1.1
597.38171	1.1
607.31244	0.7
621.32977	1.3
661.35339	0.9
677.36163	0.7
689.35095	2.7
707.36731	1.2
729.42017	3.8
747.42621	4.3
758.42108	1.0
759.42950	100.0
760.43140	6.1
827.49115	12.1
845.49359	35.4
846.49646	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	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87835	0.4
61.02930	3.5
67.05511	3.9
69.03432	3.1
69.07079	1.9
70.63602	1.1
73.02922	3.0
79.05495	4.5
81.03432	1.6
81.07069	3.2
83.05020	0.9
83.08625	1.8
85.02905	4.1
86.09718	0.8
91.03978	1.9
91.05485	2.5
93.07047	3.5
95.05014	0.7
95.08604	2.5
97.02887	3.1
97.10176	3.0
99.04520	0.6
101.02396	1.6
102.64832	0.4
105.07031	3.0
107.08597	2.9
109.02892	0.7
109.10163	0.9
115.72720	0.4
117.07078	1.2
119.08621	1.5
121.10172	0.9
124.99982	0.4
125.09614	2.7
127.03944	1.5
129.93361	0.4
131.08563	1.0
133.10147	2.0
135.08095	0.7
135.11777	1.0
136.06242	0.8
143.08563	0.6
145.10149	0.7
147.11708	1.0
148.58760	0.4
168.17122	0.5
168.18680	0.4
184.07336	2.7
185.04250	1.0
189.11243	1.1
234.41718	0.4
243.08473	3.5
301.08975	2.1
313.08984	0.6
315.10538	0.7
333.20367	6.7
333.24194	0.6
373.11121	0.4
373.23685	1.3
385.18332	0.6
389.23010	0.9
465.21259	1.1
465.68826	0.5
481.20636	1.0
525.23376	0.8
535.28864	7.2
551.28326	8.6
623.30505	1.6
683.45715	0.7
775.43054	0.6
845.50208	100.0
846.50787	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.7
67.05505	4.2
68.05824	0.5
69.03445	3.3
69.07077	2.4
69.23030	3.6
69.23445	1.6
71.76340	0.5
73.02924	2.4
79.05494	5.3
81.03440	2.3
81.07057	5.0
83.04996	0.7
83.08614	0.8
85.02895	3.6
86.09719	1.6
91.03961	2.1
91.05482	4.0
93.07012	3.5
94.51788	0.5
95.04992	1.0
95.08623	3.1
97.02872	3.5
97.06528	1.0
99.04451	0.6
101.02409	1.7
105.07018	3.3
107.08612	2.2
109.02911	0.7
109.10137	0.8
117.07021	1.5
118.95604	0.6
119.08556	2.8
121.10159	1.3
125.00007	1.3
127.03965	1.1
129.43481	0.5
131.08551	0.7
133.10191	1.5
135.08159	0.5
135.11734	1.4
137.09607	0.5
145.10162	1.1
147.11755	1.2
155.36919	0.6
159.11797	0.7
161.13268	0.7
171.11702	0.7
184.07362	5.3
185.07780	0.5
227.63084	0.6
237.83405	0.5
243.08395	3.0
301.09003	1.3
315.10562	0.6
333.20346	1.1
371.16330	0.6
373.11224	0.6
385.18561	0.5
439.19748	1.0
453.21048	1.0
465.20746	0.6
535.28809	4.1
551.28284	6.1
707.39148	0.6
845.50116	100.0
846.50500	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	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.4
67.05507	3.8
69.03432	1.8
69.07069	1.3
69.55015	2.2
69.55431	0.7
70.40627	0.4
73.02931	2.6
78.12025	0.4
79.05503	4.1
81.03432	1.5
81.07059	3.8
83.08655	0.6
84.28418	0.4
85.02888	3.8
91.03969	2.0
91.05499	3.3
93.07055	3.9
95.04967	0.6
95.08617	2.1
97.02912	3.1
97.90453	0.5
98.21499	0.7
101.02409	1.4
105.07033	2.4
107.08591	2.3
109.06474	0.5
109.10195	0.6
117.07076	1.2
119.08596	1.8
121.10176	1.4
127.03907	1.1
131.08549	1.2
133.10168	1.9
135.11740	1.1
145.10147	0.5
147.11754	0.8
149.13402	0.4
157.10236	0.5
159.11823	0.6
163.11282	0.6
171.41705	0.4
174.21115	0.4
185.04330	0.5
198.49677	0.4
212.51324	0.4
243.08440	2.5
301.09125	1.2
313.09241	0.5
315.10663	0.8
333.20407	2.4
373.23718	0.6
389.23404	1.0
394.34991	0.5
423.84695	0.5
453.21082	0.6
465.21082	0.9
469.20935	0.6
535.28906	5.2
551.28363	6.3
623.30048	0.9
631.91296	0.5
775.41058	0.5
845.50220	100.0
846.50482	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	844.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	4.7
62.16916	3.2
67.05185	6.5
67.05511	100.0
69.03421	10.0
69.07079	30.0
71.04996	4.9
71.08624	10.9
71.51524	5.9
73.02904	6.0
79.05505	56.6
81.03410	14.0
81.07069	94.3
83.04974	10.6
83.08627	26.0
85.02892	12.2
85.06544	6.2
86.09700	5.6
87.14477	3.3
87.97388	4.3
91.05486	54.1
93.07047	65.6
95.04962	12.4
95.08614	63.8
97.02880	4.5
97.06511	3.8
97.10178	7.7
99.08082	9.2
105.07042	43.9
107.04942	4.3
107.08601	49.1
109.06496	6.3
109.10165	32.1
111.08096	7.1
117.07061	21.2
119.08595	42.5
121.10159	23.6
123.11711	11.2
124.08624	4.1
125.00038	4.2
125.09621	8.7
127.03931	5.4
129.05470	5.6
129.06979	12.1
131.08595	32.5
133.10114	18.6
135.08014	4.9
135.11679	14.9
135.82826	4.0
136.26468	4.5
137.09583	5.0
141.07008	4.6
143.08592	12.9
145.10124	24.6
147.11678	11.6
149.13260	13.8
151.11153	7.8
157.10152	8.6
159.11702	11.3
161.13245	13.9
163.14825	11.8
169.10059	9.3
171.11740	8.7
173.13237	13.0
175.14790	7.0
182.66791	3.7
183.11649	5.4
184.07349	9.0
185.13223	7.8
187.14767	9.5
189.16444	5.6
199.14928	4.6
201.16457	4.3
213.16280	5.8
215.17987	4.9
225.16417	4.2
227.12688	5.1
229.14308	12.8
243.21089	11.3
261.22110	17.6
269.17490	7.5
277.21664	6.2
317.24695	7.2
335.25815	34.5
337.27267	4.8
349.23627	4.7
351.25735	4.2
407.29147	3.8
419.32870	5.2
437.34052	9.7
455.35141	5.7
511.36792	3.9
515.36920	8.1
520.40656	4.1
529.38904	30.9
595.46918	5.5
611.46497	7.4
613.48260	43.9
629.47437	6.9
676.66620	4.6
826.44519	4.6
844.48248	22.0
845.47949	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	845.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.6
62.02414	0.8
67.05504	3.5
69.07069	1.1
73.02890	1.0
79.05515	3.0
81.03417	1.1
81.07073	3.9
91.05491	3.2
93.07061	3.7
95.08628	2.0
105.07054	1.8
107.08633	2.1
107.64706	0.9
119.08600	1.5
131.08592	0.9
133.10191	1.5
135.11703	0.8
158.83279	0.9
184.07359	1.6
243.08603	1.0
465.21042	2.2
530.39783	1.3
535.28979	2.6
551.26947	1.5
551.59949	0.8
748.14093	1.0
759.42926	15.1
815.21558	1.0
827.48718	2.4
845.48260	100.0
846.48633	10.3
851.49261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	7.1
65.03919	2.4
67.05179	3.8
67.05511	53.5
69.03083	2.6
69.03433	28.2
69.07072	16.3
69.43256	17.7
71.00563	2.0
71.01362	3.2
71.04984	7.9
71.08637	28.6
73.02916	7.3
73.06526	2.0
79.05495	55.1
81.02988	3.6
81.03424	43.1
81.07060	51.6
83.04983	17.0
83.08629	23.5
85.02914	30.1
85.06549	4.1
85.10186	14.7
87.04485	2.8
91.03960	3.1
91.05486	57.0
92.05811	3.1
93.07047	51.2
95.04969	19.7
95.08613	43.9
97.02900	27.4
97.06551	4.6
97.10165	6.4
99.04458	7.9
101.02369	3.4
105.04506	4.0
105.07036	34.7
107.04972	11.7
107.08611	16.1
109.02875	9.0
109.06526	6.3
109.10155	14.7
111.08085	3.6
115.05518	3.4
117.07017	19.3
119.08591	21.1
121.06532	4.8
121.10136	7.0
123.08090	4.6
123.11673	4.1
124.44673	2.1
127.03915	17.2
128.06232	7.0
129.05464	5.9
129.07021	22.2
131.08563	16.1
133.06487	8.3
133.10162	11.7
135.08014	2.9
135.11653	3.4
141.07005	4.0
141.40363	2.2
143.08554	17.4
145.04958	4.5
145.06491	9.0
145.10101	8.3
147.08073	3.3
147.11702	21.8
155.08597	4.1
157.06505	4.9
157.10164	2.6
159.08087	3.7
161.09676	3.1
161.13257	8.9
167.08531	4.4
169.10138	3.6
171.08041	4.9
171.11725	18.4
173.04485	10.3
173.13216	2.2
177.12834	2.7
181.10123	5.3
185.09669	5.0
185.13208	4.8
187.29340	2.7
189.09142	2.5
189.12791	7.6
196.15916	2.6
207.13814	24.3
223.14792	2.8
239.23659	3.7
241.15913	4.1
251.14392	2.4
257.24625	3.7
259.16980	5.1
269.15329	8.0
279.16122	2.9
281.17545	39.1
287.16507	11.4
293.17664	2.1
297.14764	3.4
305.17383	3.9
313.27359	89.5
314.27783	3.1
315.15771	2.5
333.17038	2.7
343.19189	5.3
351.18021	6.1
361.19974	6.1
425.21799	7.4
493.38992	3.6
519.40497	100.0
520.40747	5.7
533.42212	4.9
535.38568	3.1
561.41565	2.6
571.43372	3.0
587.42358	2.6
599.43097	17.4
617.43927	2.4
645.42920	3.2
663.44763	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	843.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02847	4.4
67.05421	9.0
69.03342	3.4
69.03697	1.5
69.06984	4.2
71.04926	0.9
71.08568	2.0
73.02831	2.8
74.55704	0.8
79.05400	9.0
81.03325	3.6
81.06964	10.7
81.07468	1.2
82.07324	1.0
83.04941	1.6
83.08556	1.2
85.02811	5.2
91.03871	2.4
91.05383	7.8
92.05755	0.9
93.06944	9.0
94.07265	1.3
95.04872	2.4
95.08499	5.7
97.02872	3.9
97.06450	1.8
98.20715	1.5
99.07989	1.6
101.02303	2.0
105.06919	6.9
107.04897	1.6
107.08595	4.1
109.02730	0.9
109.10106	1.7
117.06918	2.4
119.08569	4.8
120.61536	0.7
121.10006	2.9
123.07999	0.8
127.03840	1.3
129.06960	1.7
131.08470	2.3
133.10004	3.1
135.07967	1.1
135.11560	2.6
144.93640	0.7
145.10031	1.9
147.11566	2.6
149.09535	1.2
149.13229	1.4
151.11073	1.1
154.66257	0.7
159.11630	1.2
161.13142	1.3
163.11151	0.9
171.11531	2.0
179.14166	3.4
180.14650	0.9
184.07230	1.8
225.64789	0.7
229.14343	0.8
229.71346	1.0
243.08397	3.8
247.12990	1.6
269.17310	1.1
275.20023	1.8
277.21481	2.1
278.21899	1.1
304.25919	0.7
308.20621	0.8
315.19397	6.4
351.25159	1.4
371.16556	1.0
371.21991	1.3
393.37195	0.8
437.21622	0.8
465.21021	16.1
533.14124	0.9
533.27313	16.4
535.28394	1.3
537.22906	0.9
545.38293	1.3
546.38861	2.7
551.27936	2.9
595.36176	1.2
628.46448	3.2
727.40204	1.7
729.40643	1.0
745.41058	3.8
757.41351	100.0
758.41766	7.6
825.47296	10.1
843.47626	55.0
844.47235	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	843.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02847	4.4
67.05421	9.0
69.03342	3.4
69.03697	1.5
69.06984	4.2
71.04926	0.9
71.08568	2.0
73.02831	2.8
74.55704	0.8
79.05400	9.0
81.03325	3.6
81.06964	10.7
81.07468	1.2
82.07324	1.0
83.04941	1.6
83.08556	1.2
85.02811	5.2
91.03871	2.4
91.05383	7.8
92.05755	0.9
93.06944	9.0
94.07265	1.3
95.04872	2.4
95.08499	5.7
97.02872	3.9
97.06450	1.8
98.20715	1.5
99.07989	1.6
101.02303	2.0
105.06919	6.9
107.04897	1.6
107.08595	4.1
109.02730	0.9
109.10106	1.7
117.06918	2.4
119.08569	4.8
120.61536	0.7
121.10006	2.9
123.07999	0.8
127.03840	1.3
129.06960	1.7
131.08470	2.3
133.10004	3.1
135.07967	1.1
135.11560	2.6
144.93640	0.7
145.10031	1.9
147.11566	2.6
149.09535	1.2
149.13229	1.4
151.11073	1.1
154.66257	0.7
159.11630	1.2
161.13142	1.3
163.11151	0.9
171.11531	2.0
179.14166	3.4
180.14650	0.9
184.07230	1.8
225.64789	0.7
229.14343	0.8
229.71346	1.0
243.08397	3.8
247.12990	1.6
269.17310	1.1
275.20023	1.8
277.21481	2.1
278.21899	1.1
304.25919	0.7
308.20621	0.8
315.19397	6.4
351.25159	1.4
371.16556	1.0
371.21991	1.3
393.37195	0.8
437.21622	0.8
465.21021	16.1
533.14124	0.9
533.27313	16.4
535.28394	1.3
537.22906	0.9
545.38293	1.3
546.38861	2.7
551.27936	2.9
595.36176	1.2
628.46448	3.2
727.40204	1.7
729.40643	1.0
745.41058	3.8
757.41351	100.0
758.41766	7.6
825.47296	10.1
843.47626	55.0
844.47235	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	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33671	0.3
60.77804	0.4
61.02930	3.7
67.05508	5.5
69.03430	2.4
69.07071	2.9
71.05000	0.7
73.02924	3.1
79.05495	5.4
81.03429	2.4
81.03842	0.5
81.07064	5.3
83.04972	0.8
83.08624	0.9
83.48085	0.3
85.02917	3.5
86.09726	0.5
87.04479	0.4
91.03952	1.9
91.05491	5.3
93.07053	5.0
95.01348	0.4
95.04986	1.1
95.08618	3.2
97.02897	3.4
97.06538	1.2
97.10187	0.8
99.04449	0.6
101.02388	1.3
103.03979	0.4
105.07037	3.9
105.12819	0.3
107.04318	0.3
107.04922	1.7
107.08600	3.1
109.02880	0.4
109.06514	0.4
109.10156	1.5
117.07049	1.5
119.08592	2.4
121.06580	0.4
121.10177	1.6
123.08106	0.5
125.00037	0.4
125.09630	0.8
127.03880	0.8
131.08601	1.4
133.10124	2.8
135.08127	0.3
135.11720	0.9
137.09666	0.4
143.08620	0.6
145.10149	1.7
147.11731	1.2
149.09637	0.9
157.10150	0.6
159.11728	0.8
163.11220	0.6
177.12718	0.3
179.14374	0.7
184.07390	1.7
185.04294	0.4
209.61658	0.4
212.02946	0.3
243.08444	4.0
259.20792	0.4
263.69287	0.3
275.20325	0.5
291.19620	0.6
301.08911	0.5
313.09045	0.4
315.19336	1.6
317.20865	0.5
324.47498	0.4
331.18909	0.9
333.20551	0.5
371.22183	1.0
439.19650	0.8
453.21268	0.8
465.21039	0.7
490.85281	0.3
533.27161	6.2
535.28729	3.2
549.27100	2.1
551.28333	4.1
625.11700	0.4
628.46393	0.6
651.87646	0.4
843.48639	100.0
844.49036	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.1
63.54957	0.3
67.05508	4.4
69.03426	2.4
69.07061	1.1
69.82271	1.2
71.05003	0.5
73.02924	3.0
79.05493	5.0
81.03419	1.3
81.07058	4.2
83.04972	0.3
83.08627	0.9
85.02910	3.7
85.06565	0.7
86.09731	1.3
87.04485	0.3
89.06017	0.4
91.03961	1.7
91.05494	4.4
93.07048	4.7
95.04969	3.0
95.08613	2.4
97.02900	3.3
97.06526	0.3
99.04452	0.8
101.02386	1.3
105.07044	3.2
107.04942	0.5
107.08598	2.3
107.77159	0.3
109.02866	0.6
109.06512	1.6
109.10178	0.6
113.06032	2.3
115.03974	0.4
117.07036	1.0
119.08586	2.5
121.06481	0.4
121.10174	1.4
123.11713	0.3
124.19302	0.3
125.00020	1.1
127.04011	0.7
129.05501	0.5
129.07031	0.7
131.08598	1.1
133.08623	0.5
133.10127	1.5
135.08057	0.8
135.11720	1.0
136.06155	0.4
143.08569	0.5
145.10117	1.4
147.11726	1.3
149.13316	0.6
157.10173	0.6
159.11697	0.5
161.13223	0.6
163.11200	0.3
171.11755	0.5
173.13315	0.4
184.07344	3.9
185.04245	0.6
185.07744	0.4
198.51019	0.3
203.05315	0.4
219.68420	0.3
243.08426	3.7
259.20782	0.6
273.18747	0.4
296.25217	0.3
301.09122	1.2
315.10480	0.6
316.08145	0.3
317.20950	0.4
331.18784	5.5
387.21555	1.2
397.18457	0.3
399.20810	0.3
465.21091	1.0
481.20697	0.3
495.22330	0.4
499.84415	0.3
535.28802	6.7
549.26917	6.0
550.27478	0.4
558.59717	0.4
613.89355	0.3
621.28967	1.1
843.48651	100.0
844.48962	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	843.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.1
65.03960	0.6
67.05508	5.8
69.03429	4.0
69.07084	2.9
71.01354	0.8
71.04986	1.1
73.02924	4.4
79.05502	6.1
80.05859	1.0
81.03423	2.0
81.07059	7.4
83.05017	0.8
83.08638	1.5
85.02914	4.1
91.03974	2.3
91.05483	8.0
91.05930	0.7
93.07058	7.4
95.04990	1.8
95.08623	5.1
97.02911	4.4
97.06551	0.9
97.10216	0.8
101.02408	1.5
105.07056	6.1
106.07363	0.9
107.04930	1.5
107.08595	3.6
109.02934	0.7
109.06560	0.8
109.10206	1.9
111.08113	0.7
111.81681	0.7
117.07070	1.8
119.08590	4.3
121.10165	2.0
123.11710	0.7
127.03953	1.1
129.05562	1.1
129.07001	1.0
131.08606	2.3
133.10175	4.8
133.69550	0.6
135.11745	1.1
143.08626	0.8
145.10225	1.1
147.11772	1.9
148.12044	0.6
157.10199	1.8
159.11732	1.0
171.11763	1.2
172.89909	0.8
185.04318	0.9
185.13226	0.7
193.12300	1.0
222.21295	0.7
243.08391	3.4
292.37177	0.7
301.08878	1.5
313.17896	0.9
315.10477	1.3
317.21030	0.9
324.37054	0.8
331.18845	3.8
355.13882	0.7
451.19656	1.3
465.21313	0.9
523.91351	0.7
531.26013	2.1
535.29010	8.5
549.26807	3.8
610.45679	0.8
612.46545	0.8
745.41693	3.6
825.47601	11.1
826.46954	0.8
843.48688	100.0
844.48865	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	843.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.8
63.38379	0.5
65.03936	0.6
67.05510	10.7
67.05873	0.6
68.05847	1.0
69.03451	3.1
69.07073	4.8
70.76325	1.3
71.01347	0.5
71.04991	0.8
73.02908	2.7
79.05493	8.8
80.05820	0.8
81.03419	2.0
81.07056	9.1
83.04963	0.8
83.08627	2.2
85.02902	3.5
86.10503	0.5
91.03968	1.9
91.05499	6.8
92.05807	0.8
93.07054	8.6
94.07404	1.0
95.04990	1.5
95.08608	5.6
97.02914	3.2
97.06581	1.0
97.10177	1.7
101.02381	1.5
105.07041	4.7
106.07386	0.7
107.04987	0.8
107.08617	5.2
108.08932	0.8
109.06504	0.6
109.10163	3.5
115.05497	0.5
117.07043	2.0
119.08604	3.7
119.64895	0.5
121.10134	3.1
125.09627	1.0
127.03931	1.1
129.07053	0.7
131.08574	2.5
133.10118	2.5
135.11729	2.3
136.12062	0.6
145.10168	1.6
147.11731	1.0
149.09630	0.5
149.13322	1.5
157.10170	0.8
159.11734	1.8
161.13246	0.7
171.11685	0.6
173.13300	0.5
175.15002	0.6
185.04300	0.9
195.86047	0.5
203.05391	0.6
213.60378	0.5
217.29245	0.5
223.13512	0.7
227.12990	0.6
229.14340	1.8
243.08415	2.8
259.20728	0.5
262.20160	0.7
269.17477	1.1
275.20093	1.3
276.20486	0.7
291.19672	1.0
301.09015	1.8
315.10434	0.7
331.18991	1.8
335.25751	6.1
336.26169	3.3
349.23764	0.9
387.21646	0.7
469.05835	0.7
489.35956	1.2
490.36176	1.0
498.76627	0.5
529.38989	1.4
530.39490	3.4
535.28943	7.8
549.27002	3.5
610.45563	1.8
621.29535	0.8
628.46606	1.6
843.48645	100.0
844.48749	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	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08133	0.5
61.02929	3.6
67.05508	11.7
68.05833	1.2
69.03438	2.8
69.07076	2.7
71.01350	0.8
73.02927	2.8
79.05493	8.9
80.05852	0.7
81.03417	2.2
81.07067	10.1
82.07390	0.5
83.04996	1.5
83.08626	1.4
85.02911	3.5
85.06585	0.8
86.09708	1.6
87.21655	0.5
90.06321	0.5
91.03967	2.3
91.05486	7.8
92.05811	0.5
93.07047	8.9
94.07391	0.6
95.04992	1.4
95.08609	5.8
96.08971	1.1
97.02878	2.9
99.04474	0.8
101.02402	2.0
105.07044	6.9
107.04946	0.6
107.08595	6.7
107.09212	0.7
107.55209	0.5
109.06528	0.8
109.10152	5.5
110.10460	0.6
115.03962	0.5
117.07018	1.3
119.08596	3.8
121.10139	2.6
122.96539	0.6
123.11761	0.7
125.00028	1.0
127.03948	1.2
129.05550	0.5
131.08601	2.5
133.10161	3.9
135.07974	0.6
135.11737	1.8
145.10115	1.3
147.11705	2.0
148.12151	0.6
149.09641	0.9
149.13338	1.5
151.11182	1.3
157.10175	0.9
159.11711	1.4
161.13191	0.6
173.13312	0.7
184.07355	2.6
185.04309	0.8
229.14433	2.1
230.14793	1.1
243.08395	3.5
259.20612	0.9
261.22208	0.8
269.17569	2.0
270.17834	0.7
275.20099	1.7
276.20453	1.1
301.09012	1.5
331.18814	2.4
335.25870	4.0
336.26236	3.8
349.23764	0.9
367.24872	0.8
409.95251	0.6
429.17548	0.7
465.21478	0.8
489.36243	1.0
490.36212	1.7
529.38751	1.5
530.39490	3.2
535.28735	7.0
549.26740	5.2
610.45386	1.4
621.28571	1.5
627.46246	0.8
628.46863	1.5
635.30444	0.5
642.39935	0.6
843.48645	100.0
844.48840	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	842.562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	6.6
65.03944	5.3
67.05508	100.0
69.03424	12.1
69.07069	30.6
71.01334	7.6
71.04989	5.6
71.08640	11.3
77.03935	3.1
79.05497	75.2
81.03418	9.4
81.07061	85.8
82.43597	2.1
83.04974	8.8
83.08612	20.5
85.02895	8.0
85.06543	5.1
87.04485	3.1
89.06032	8.2
91.05486	75.6
93.07047	74.6
95.04967	10.4
95.08614	55.0
97.02889	8.2
97.06530	7.9
97.10155	10.0
99.08107	6.8
103.05428	2.8
105.04515	2.9
105.07034	61.4
107.04955	7.4
107.08596	41.5
109.06516	3.7
109.10158	27.3
111.08109	4.8
113.09640	2.2
115.05482	5.4
117.07041	27.7
119.07811	3.6
119.08588	46.0
121.06493	4.7
121.10143	26.6
123.08051	3.8
123.11728	6.1
125.09615	5.4
127.03898	5.7
128.06235	5.6
129.05499	4.5
129.07005	17.3
130.07796	2.6
131.08571	37.1
133.08594	5.4
133.10141	36.2
135.08078	4.0
135.11700	14.9
137.09668	3.6
137.13269	3.1
141.06998	5.1
142.07811	4.4
143.08592	16.1
145.10124	31.4
147.11723	24.2
148.92557	2.5
149.09608	2.7
149.13260	13.9
151.11157	3.3
155.08545	12.7
157.10147	20.3
158.61815	2.4
159.11699	24.8
161.09607	3.5
161.13278	12.0
163.11232	3.2
163.14757	4.0
167.08624	3.5
169.10133	10.9
171.11674	15.3
173.09688	2.6
173.11819	2.8
173.13258	10.7
175.14812	6.9
177.16257	3.2
179.14339	3.0
181.10155	3.3
183.11693	10.0
185.13258	10.4
187.14809	7.0
195.11734	5.1
195.13670	2.6
197.13348	5.1
198.99631	2.7
199.14850	9.5
201.16356	3.7
209.13277	3.9
211.14752	3.1
213.16350	2.8
217.15834	2.6
225.16454	3.6
227.12695	4.0
227.17932	3.5
229.14296	4.5
235.14955	3.2
239.18091	2.8
241.19606	7.2
245.10338	2.9
257.19003	6.2
259.20563	13.4
261.22083	6.0
269.17542	6.5
271.16815	2.4
275.20062	3.7
283.20425	2.3
291.20300	2.0
293.21091	5.9
295.68390	2.4
301.12341	2.6
333.24210	10.0
335.26074	14.1
367.25488	3.4
367.35773	41.9
379.29596	2.8
417.31613	2.7
435.32858	3.8
510.70563	2.4
515.37488	4.0
527.37354	9.5
529.38818	5.2
593.45172	3.6
609.45117	4.1
611.46729	40.1
612.46442	3.4
627.45776	9.8
843.48462	3.0
872.81018	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	841.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.4
65.03951	1.5
67.05511	12.1
69.03438	2.0
69.07072	4.4
71.05003	1.0
71.51598	1.0
73.02922	1.8
79.05495	10.5
80.05872	0.9
80.41359	0.6
81.03419	2.8
81.07063	10.5
83.04997	1.4
83.08624	2.4
85.02921	3.0
85.06560	2.1
91.03966	1.3
91.05488	10.3
92.05817	0.9
93.07050	9.2
95.04968	5.1
95.08605	6.1
97.02910	2.5
97.06532	1.4
97.10195	1.8
100.97465	0.7
101.02390	1.0
105.07044	10.5
107.04974	2.4
107.08598	6.8
108.08923	1.1
109.02895	1.4
109.06560	1.9
109.10186	2.4
111.08065	1.0
113.06019	4.1
115.03887	0.9
115.05460	1.0
117.07047	3.1
119.08596	7.0
120.08933	0.8
121.06530	1.5
121.10166	3.1
125.09641	1.9
127.03942	1.6
129.07011	2.1
131.08578	4.7
133.10153	5.3
135.08057	2.4
135.11740	2.5
142.07800	1.1
143.08623	1.7
145.10144	4.6
147.08121	0.9
147.11719	2.7
149.09651	2.2
149.13289	1.0
157.10182	1.4
159.11694	2.7
161.13289	1.8
163.11256	1.2
171.11774	2.3
173.13353	1.2
175.14841	0.8
177.12773	0.9
179.14291	0.7
183.11694	1.2
184.07414	1.7
187.14999	0.9
191.83461	0.8
197.13336	0.9
199.14961	0.8
209.13174	0.8
227.12802	1.6
241.19453	0.8
243.08447	3.4
259.20877	0.9
261.18481	0.8
275.20172	1.1
291.19873	1.0
315.19315	2.1
326.10159	0.9
331.18893	3.2
333.24319	1.5
334.24866	1.2
349.23788	1.2
350.24231	0.8
387.21457	1.1
533.27295	7.2
549.26630	7.5
584.21722	0.9
608.43842	2.0
625.44312	1.3
626.45239	3.6
841.47083	100.0
842.47186	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	842.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	2.4
65.03939	5.4
67.05510	100.0
69.03422	5.8
69.07078	19.5
70.45381	4.3
71.05003	3.8
71.08630	3.2
73.02938	1.9
75.42906	1.5
79.05498	49.5
81.03416	3.4
81.07063	74.5
83.04994	5.9
83.08615	15.4
85.02915	2.9
85.06554	3.9
85.95581	1.5
91.05488	39.4
93.07047	55.5
95.04984	5.0
95.08617	51.1
97.02894	2.1
97.06528	4.9
97.10181	13.8
99.08108	2.6
105.04478	1.9
105.07040	28.8
107.04934	4.3
107.08604	40.3
109.06493	3.0
109.10166	50.7
111.08119	4.8
117.07048	12.4
119.08578	22.8
121.06572	3.9
121.10158	22.7
123.08036	2.7
123.11730	7.0
125.09673	9.0
127.03942	2.3
128.06232	2.0
129.06992	4.0
131.08568	17.6
133.10158	19.0
135.11699	10.7
136.64340	1.5
137.09665	4.6
137.13272	1.9
141.07004	2.2
143.08545	4.0
145.10161	11.3
147.11676	10.6
149.09642	5.5
149.13235	8.9
151.11223	2.1
152.22607	1.5
155.08562	2.6
155.10651	4.0
157.10144	4.8
159.11703	12.3
161.13258	8.2
163.11223	2.9
163.14818	2.9
169.10100	2.9
171.11678	3.6
173.11780	6.7
173.13277	7.1
175.14809	3.9
183.11707	4.5
183.41035	1.8
185.13310	3.8
187.14883	4.2
189.11244	5.4
195.13783	2.4
197.13573	1.7
199.14836	2.3
227.12766	15.8
229.14354	38.0
241.19545	1.7
243.21162	6.4
245.13869	11.0
259.20633	4.8
261.22189	14.6
269.17490	10.3
275.20016	14.5
277.21579	2.5
311.23795	1.9
313.27411	6.6
317.24750	2.9
324.38443	1.8
333.24448	4.1
335.25839	80.3
349.23822	12.8
367.24854	7.8
471.34982	1.9
483.36679	5.5
489.35800	31.5
507.36511	2.2
513.35693	2.8
527.37067	4.6
529.38959	23.4
609.45227	28.4
610.45966	2.6
627.46198	17.0
661.33179	1.8
680.27325	1.8
843.47699	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	841.4707
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02934	6.1
65.03937	2.1
67.05178	1.3
67.05511	17.2
68.05852	1.1
68.35745	0.8
69.03433	6.4
69.07076	11.8
70.75819	0.8
71.04995	2.5
71.51476	1.2
73.02917	4.2
73.90923	0.8
79.05505	16.5
80.05826	1.8
81.03431	5.3
81.07062	16.1
82.07406	2.0
83.04990	3.5
83.08630	3.2
85.02918	5.0
91.03963	2.4
91.05495	15.7
92.05830	1.2
93.07057	16.0
94.07368	1.7
95.04980	6.2
95.08620	13.7
97.02924	4.5
97.06543	8.4
97.10162	1.8
99.04500	1.2
99.08102	1.7
101.02385	2.1
103.05514	1.2
105.07043	10.9
106.07366	1.3
107.04970	3.6
107.08604	6.5
108.08933	1.4
109.02882	1.7
109.06534	3.5
109.10158	4.7
110.10513	1.1
111.08076	1.3
115.07587	1.7
115.26949	0.8
117.07030	5.3
119.08593	10.0
120.08933	1.6
121.06509	2.6
121.10146	5.5
123.08066	1.5
123.11759	1.7
125.09668	1.0
127.03967	2.1
128.06247	1.2
129.07025	2.6
131.08589	5.8
133.06494	1.1
133.10164	8.5
135.08054	1.6
135.11691	3.9
143.08601	1.4
145.10155	3.4
147.08134	1.0
147.11705	3.1
149.09602	2.1
149.13351	1.7
151.11185	1.3
154.18176	0.8
157.10152	1.5
159.11737	2.3
161.09645	1.5
161.13330	1.2
163.11273	1.1
171.11761	1.5
173.13272	1.2
175.11230	1.2
175.14929	1.2
183.11800	1.1
184.07396	1.0
185.13193	1.2
186.92560	0.8
193.12244	1.4
243.08502	3.0
259.20511	1.0
260.01715	1.0
261.22116	1.3
269.17731	0.9
273.18588	3.0
274.18982	1.1
275.20145	1.5
291.19507	1.0
301.08939	1.4
315.19473	2.8
331.18930	1.3
335.25867	5.6
336.26218	3.5
348.22925	0.9
362.18317	1.0
451.19690	1.1
531.25781	2.3
533.27191	10.4
549.26501	7.2
605.29456	1.2
610.44995	1.1
626.45221	2.0
644.45282	1.7
738.14960	1.1
743.40173	3.9
823.45935	9.4
841.47113	100.0
842.47479	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	3.4
65.03929	6.0
66.53515	3.6
67.05512	94.4
69.03427	9.9
69.07079	34.9
69.22432	7.7
69.22842	26.8
71.04995	9.5
78.49572	3.0
79.05502	88.9
81.03419	8.7
81.06592	5.6
81.07065	100.0
83.04973	10.8
83.08622	19.5
85.02872	3.9
85.06558	4.2
91.05489	97.5
93.06480	6.4
93.07048	89.4
95.04972	11.8
95.08615	50.9
97.02902	4.4
97.06532	10.1
97.10158	12.6
99.08110	5.3
99.56828	4.0
105.07043	90.1
107.04966	12.4
107.08603	57.9
109.06492	10.2
109.10182	21.0
111.08078	4.7
115.05492	5.0
117.07023	42.0
119.08599	67.5
121.06548	3.8
121.10158	33.7
123.08035	6.5
123.11703	6.2
125.09597	8.0
128.06247	5.5
129.05487	4.2
129.07007	24.8
131.08568	38.1
133.10143	58.7
135.08012	8.0
135.11687	19.4
141.07016	4.7
142.07759	7.1
143.08533	24.5
145.10130	45.9
147.11710	41.1
149.09627	11.5
149.13263	12.5
155.08572	13.0
157.10138	26.4
159.11740	28.6
161.09569	4.2
161.13235	13.6
163.11163	8.4
163.14754	5.3
165.12726	4.0
167.08661	4.7
169.10156	20.0
171.11690	25.4
173.09677	3.4
173.13272	22.4
175.14832	8.9
177.12845	3.7
177.16525	3.5
179.08636	5.7
181.10167	7.1
183.11722	15.1
184.07352	6.1
185.13274	13.3
187.14854	8.3
189.11287	3.7
189.16446	3.6
193.10071	5.6
195.11729	7.3
197.13220	9.6
199.14761	5.9
209.13232	9.3
219.11862	4.9
221.13318	3.6
223.14868	7.7
227.12721	4.6
231.21051	3.9
239.17975	7.0
241.19630	19.3
255.15823	7.8
257.18930	8.2
259.20609	48.1
269.17477	13.2
274.23892	4.1
275.20123	30.3
279.20547	3.6
333.24316	46.2
349.23831	15.9
351.25665	4.2
353.24506	5.1
405.55731	4.1
443.15659	4.6
471.34119	6.0
513.35791	23.2
514.36273	4.7
515.38574	8.7
527.37445	27.5
545.38263	4.6
567.40570	6.3
590.68549	3.7
607.43542	38.3
608.43677	4.8
625.44519	34.7
771.00916	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.3
61.44664	3.2
64.08846	3.0
65.03914	5.7
67.05507	97.0
67.66249	3.6
69.03422	9.2
69.07066	35.2
71.04984	8.6
79.05496	82.2
81.03402	11.7
81.06590	5.6
81.07059	95.0
83.04964	9.8
83.08622	17.4
85.02894	5.8
85.06551	5.7
89.23838	2.9
91.04911	5.0
91.05484	90.9
93.06486	7.1
93.07044	95.9
95.04961	15.6
95.08608	54.1
97.02880	4.5
97.06520	8.1
97.10162	10.7
98.18501	3.1
99.08082	8.5
105.07030	100.0
107.04973	9.2
107.08603	47.8
109.06499	6.1
109.10159	18.5
111.08087	5.3
115.05418	4.9
117.07021	27.7
119.08584	67.9
121.10149	34.3
123.08051	3.4
123.11681	9.3
125.09628	6.2
128.06233	4.2
129.06984	23.1
131.08571	43.9
133.10141	50.3
135.08051	6.4
135.11684	25.0
141.07004	7.7
143.08496	17.0
145.10100	29.7
147.08156	3.8
147.11684	40.1
149.09618	10.5
149.13252	14.2
155.08623	7.5
157.10120	20.4
159.11713	26.6
161.13257	19.1
163.11105	4.1
169.10124	11.4
171.11676	25.3
173.13248	15.0
175.14833	7.1
181.10089	5.0
183.11703	8.8
185.13246	14.2
187.14877	7.8
195.11746	5.1
195.13812	8.0
197.13200	7.8
199.14845	9.4
209.13171	6.1
211.14854	7.1
213.16469	6.1
222.20638	3.3
223.14839	5.5
239.17799	3.8
241.19633	19.2
255.15942	13.7
259.20584	44.2
261.22128	7.1
267.16074	4.9
269.17462	21.0
273.18591	4.3
275.20224	18.4
277.21643	5.1
283.20605	3.5
315.23346	5.2
331.26193	3.4
333.24283	46.3
349.24228	7.3
367.24670	8.1
409.52646	4.4
435.32681	6.8
453.33685	5.9
471.34515	4.8
513.35748	16.7
515.37494	6.3
527.37347	59.0
531.37042	4.6
545.38208	9.2
607.43427	17.1
625.44409	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17330	2.7
61.02921	4.3
63.03013	2.9
65.03944	6.9
67.05508	86.9
69.03442	7.9
69.07072	42.2
70.51263	3.1
71.04985	5.4
79.05496	89.1
81.03405	14.5
81.06589	5.8
81.07059	100.0
82.69405	3.2
83.04977	8.6
83.08628	19.3
85.02932	7.1
85.06529	5.8
91.05486	94.0
93.07047	85.9
95.04954	14.6
95.08000	3.9
95.08612	64.5
97.02905	4.6
97.06547	12.4
97.10161	13.3
98.20727	9.7
99.08113	5.3
105.07036	99.0
107.04955	9.8
107.08597	54.8
109.06516	6.0
109.10165	24.7
111.08074	8.5
115.05448	7.7
117.07016	40.0
119.07818	5.3
119.08591	66.1
121.10139	33.8
123.08062	6.4
123.11735	5.9
125.09637	9.7
128.06210	5.4
129.07007	18.3
131.08569	48.2
133.10144	50.7
135.08067	6.9
135.11682	26.4
137.09618	3.7
141.06960	6.9
142.07791	4.5
143.08566	22.0
145.10117	39.3
147.11693	41.7
149.09633	9.0
149.13228	14.4
151.11217	3.7
155.08563	17.8
157.10109	19.9
159.11711	29.9
161.09692	4.2
161.13278	22.1
163.11172	7.6
163.14868	4.2
167.08536	5.9
169.10188	17.2
171.11740	22.1
173.13274	20.6
175.14774	9.3
177.12711	6.4
179.08591	3.6
181.10136	6.9
183.11716	14.4
185.13274	15.8
187.11127	4.3
187.14870	10.5
189.12691	4.1
195.11676	6.5
195.13715	5.0
197.13232	11.3
199.14847	11.7
201.16460	4.3
207.11725	5.3
209.13246	7.6
211.14928	4.0
213.16455	4.7
227.18138	3.6
229.80917	4.0
231.21117	6.2
235.14699	4.1
241.19484	13.1
255.15843	9.2
256.87750	3.2
257.18854	8.3
259.20590	48.9
261.21957	4.3
269.17490	16.5
273.18411	4.4
275.20038	14.2
315.23206	3.9
333.24222	42.7
349.23581	11.5
421.30783	4.2
428.96921	3.4
435.32523	6.9
459.61002	3.4
495.34442	3.4
502.86758	3.2
513.35931	28.5
515.38043	6.3
516.06860	3.1
527.37372	41.4
533.39600	5.7
571.95355	3.8
607.43567	34.3
614.91815	3.5
625.44397	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.6
67.05508	94.4
69.03439	11.9
69.07069	28.3
69.25018	18.6
69.25446	19.2
71.04981	3.3
79.05495	82.5
81.03417	10.3
81.07063	100.0
83.04980	11.0
83.08620	18.4
85.02901	5.4
85.06529	5.4
89.26402	3.4
91.03992	3.8
91.05486	86.0
93.07050	89.6
95.04975	12.8
95.08605	55.3
97.02886	8.0
97.06549	11.7
97.10175	7.1
98.21505	8.0
99.08091	8.1
101.69344	3.0
103.05473	6.4
105.07040	80.1
105.07695	6.4
107.08589	41.4
109.06508	4.4
109.10150	27.5
111.08083	8.3
114.52903	3.3
115.05450	5.6
117.07002	33.6
119.08595	66.4
121.06525	5.3
121.10165	36.8
123.08115	6.5
123.11720	6.8
125.09620	7.7
127.04016	3.8
128.06235	6.8
129.07037	24.9
131.08566	42.6
133.10135	45.9
135.08073	4.7
135.11725	14.9
137.09691	4.2
141.07002	9.6
142.07832	10.3
143.08568	33.9
145.10132	43.1
147.11688	31.3
149.09660	7.5
149.13235	11.9
153.06949	4.2
155.08545	15.5
157.10147	23.3
159.11719	35.3
161.09653	6.3
161.13223	16.4
163.11113	4.6
167.08582	7.1
168.09274	4.0
169.10129	21.2
171.11690	20.2
173.13228	17.1
175.14767	8.2
177.12810	4.4
181.10086	8.0
183.11725	15.4
185.13313	16.4
187.14812	10.7
189.16338	4.2
195.11743	11.4
195.13667	3.7
197.13307	15.5
199.14897	9.6
201.16423	4.2
209.13226	4.9
211.14897	9.8
215.14397	3.9
223.14812	6.2
229.14288	5.2
231.21040	4.8
235.15031	4.2
237.16441	7.2
241.19496	11.0
257.19031	8.0
259.20535	24.4
269.17459	6.2
275.20093	10.5
287.23810	3.7
309.22012	4.6
315.23215	6.9
333.24207	20.4
339.26633	4.2
357.23737	5.6
435.32883	5.5
471.34637	6.7
517.40454	8.9
527.37323	13.8
591.43469	6.2
607.43066	4.8
609.45178	37.7
610.44733	6.3
625.44403	10.4
671.54761	3.6
735.88318	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05014	2.8
65.03923	3.0
67.05510	63.5
69.03430	3.4
69.07076	22.5
70.90369	4.0
71.04993	3.1
79.05499	75.2
81.03411	6.1
81.06590	3.2
81.07059	55.1
83.04983	7.1
83.08636	24.2
85.02895	2.9
85.06551	4.1
91.05486	64.1
93.07050	57.6
95.04965	6.2
95.08609	36.4
97.06522	7.6
97.10175	31.2
105.07034	70.2
107.04962	5.1
107.08596	62.1
109.02853	2.3
109.06519	6.7
109.10148	22.5
116.06307	2.1
117.07027	24.9
119.07814	3.9
119.08595	44.2
121.10155	17.7
123.08058	3.9
123.11712	13.7
125.09634	24.0
128.06230	3.8
128.69380	2.0
129.07013	14.0
131.08583	30.6
133.10141	32.1
135.08046	5.8
135.11684	11.9
141.06981	7.5
142.07690	2.4
143.08542	19.9
145.10135	28.2
147.11710	26.2
149.09586	6.7
149.13284	5.3
153.09100	2.5
155.08539	9.4
156.09360	3.8
157.10136	19.3
159.11696	19.2
160.42616	2.5
161.13268	14.0
163.11234	2.4
163.14705	3.1
167.08553	5.3
169.10143	13.0
171.10286	5.3
171.11696	19.5
171.69830	2.3
173.13287	17.5
175.14792	7.7
177.12790	2.5
181.10168	7.0
183.11722	13.4
184.07333	3.9
185.13239	11.7
185.22858	2.4
187.13341	4.9
187.14819	5.5
189.11203	15.3
193.10123	3.6
195.11702	7.8
197.13229	10.1
199.14873	11.6
209.13206	6.5
211.14821	7.6
213.16393	5.4
223.14786	5.3
223.16858	2.4
225.16379	3.6
227.12753	28.6
229.19528	2.9
237.16426	3.8
239.17966	7.1
241.19534	11.3
243.15977	7.3
245.13818	3.3
257.19080	10.3
259.20572	20.6
261.22092	3.0
275.20084	21.2
277.21841	2.3
315.23071	2.2
331.22662	2.7
333.24353	20.6
349.23874	15.3
363.26657	3.1
365.24399	2.7
365.28369	16.0
381.31503	6.4
383.29309	4.8
415.92310	2.4
421.30902	5.3
439.32150	3.1
501.14847	2.6
503.33618	4.9
513.35669	9.0
515.38672	5.1
533.39874	12.0
551.41199	4.5
607.43518	57.1
608.42920	3.5
611.35632	2.9
625.44659	100.0
626.44861	5.7
673.44153	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.3
65.03938	2.3
67.05509	96.5
69.03427	10.5
69.07072	38.5
70.82008	5.3
71.04991	18.8
71.08630	2.9
73.02902	1.9
73.06552	4.8
79.05498	75.7
79.05967	3.6
81.03431	12.6
81.07061	100.0
82.07377	1.9
83.04986	14.4
83.08624	13.3
84.08141	2.3
85.02908	7.8
85.06525	2.7
87.04482	5.7
89.06023	3.6
91.03937	2.5
91.05491	58.2
93.07049	72.7
93.36681	1.8
95.04993	10.7
95.08614	61.5
97.02895	6.8
97.06549	15.7
97.10173	5.8
99.04461	2.2
99.08089	5.5
103.05466	3.3
105.04567	1.9
105.07042	42.1
107.04957	8.0
107.08604	36.0
109.02934	2.6
109.06516	8.6
109.10143	20.8
111.08056	6.4
113.09639	4.3
115.05468	2.4
117.07024	20.5
119.08587	29.5
121.06546	7.1
121.10142	23.9
123.08079	7.2
123.11724	7.8
125.09641	3.0
127.03923	4.6
129.06996	5.6
131.08586	24.9
133.10133	27.7
134.09702	3.2
135.10434	8.0
135.11684	16.8
137.09595	2.3
139.11180	2.0
143.08553	4.4
145.10158	19.9
147.11700	15.3
149.09644	15.0
149.13293	11.5
149.77786	2.4
155.08562	3.3
157.10106	4.7
159.11728	16.8
161.13271	8.9
163.11186	7.9
163.14757	2.5
171.11670	5.2
173.04431	2.9
173.13225	9.9
175.14822	2.2
177.12816	5.2
178.15952	9.8
179.14388	3.7
180.17491	3.1
181.10095	1.8
183.11708	4.4
184.07498	2.0
187.14804	2.6
195.13864	5.7
197.13295	2.0
215.55051	2.3
229.19444	3.6
247.20671	2.8
253.14418	2.3
254.55809	2.2
257.19022	6.4
259.20700	3.5
261.22198	6.4
269.17569	10.1
275.20068	32.7
276.13614	14.7
293.21161	3.4
309.28061	3.1
320.16254	15.1
335.25806	72.6
336.25974	2.9
349.23776	29.6
350.23761	2.5
413.21765	3.3
445.48013	2.1
489.35736	2.2
515.37396	13.3
529.38879	79.6
530.39185	4.9
546.40814	2.4
594.08771	2.0
609.45178	33.9
614.92444	2.7
627.45953	5.3
628.08521	2.4
641.47534	5.6
658.52118	2.1
838.55225	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	5.7
67.05507	72.8
69.03426	6.8
69.06727	3.7
69.07073	42.9
69.14336	4.2
69.14736	21.7
71.04980	3.6
77.03922	2.9
77.77402	2.6
79.05498	72.6
80.05821	2.9
81.03429	11.7
81.07061	83.7
83.04979	12.2
83.08630	14.3
85.06553	3.8
85.27592	2.4
91.05484	84.1
93.07049	70.3
95.01319	4.1
95.04957	16.1
95.08607	42.9
95.69888	2.3
97.02903	7.1
97.06538	26.8
97.10183	11.5
98.21541	5.2
99.08098	3.6
103.05453	4.6
105.04559	2.5
105.07039	100.0
107.04983	16.6
107.08594	38.9
107.16164	2.4
109.02952	2.5
109.06512	6.6
109.10167	20.6
111.04412	2.9
111.08049	5.6
113.09684	2.4
113.34822	2.3
115.05512	2.4
116.06184	3.5
117.07023	26.6
119.08591	56.9
120.48247	2.2
121.06499	8.4
121.10152	17.4
123.04456	3.8
123.08090	5.7
123.11703	7.1
125.09649	9.1
128.06190	2.3
129.07025	8.8
131.08578	36.5
133.10135	60.8
135.08066	6.4
135.11667	14.9
135.59369	2.3
137.09663	4.9
141.06992	3.8
142.07748	3.4
143.08572	9.9
145.10138	26.5
147.08051	5.9
147.11703	29.8
149.09636	9.9
149.13277	7.4
151.11191	5.0
154.89610	2.6
155.08557	4.2
156.09448	2.7
157.10155	10.8
159.11703	23.0
161.09644	5.6
161.13274	12.7
163.11227	6.6
163.14928	2.9
165.09187	3.2
169.10124	6.6
171.11684	8.4
172.82379	2.1
173.13290	8.4
175.11201	4.3
175.14827	3.5
177.12750	3.4
179.14333	10.7
183.11702	5.9
185.13293	6.7
187.10991	2.8
187.14764	2.9
189.11234	5.6
195.11821	3.0
195.13834	4.9
197.13342	4.1
205.12376	3.5
223.13268	5.2
227.12788	5.6
229.19350	3.2
239.17961	5.3
241.19560	8.8
253.14204	4.3
255.15919	3.5
257.19009	11.5
259.20624	20.2
269.17453	20.5
273.18494	8.3
275.20071	83.4
276.20514	3.4
279.15964	2.8
291.19556	43.8
292.19855	2.6
293.21057	5.9
315.23312	4.6
324.66257	2.4
333.24298	22.0
349.23782	44.3
365.23236	20.6
525.35315	3.5
529.35138	21.9
530.35150	3.7
543.36871	98.7
544.36987	4.7
549.39569	2.6
567.28540	2.7
579.71613	2.6
605.42053	4.1
623.43066	47.4
624.43231	3.4
641.44092	8.4
687.40228	4.0
742.35699	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	838.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24919	3.5
65.03959	5.2
67.05180	5.7
67.05515	72.7
69.07069	12.8
69.83477	18.7
71.05007	6.8
72.59975	3.3
72.89555	2.9
79.05507	61.2
81.03430	8.4
81.07071	62.4
83.05007	5.9
83.08631	9.7
84.99313	3.2
85.06568	17.9
91.05481	64.6
93.07059	61.7
95.04975	62.0
95.08618	35.3
97.06523	13.1
97.10139	6.9
105.07034	59.1
107.04948	10.6
107.08602	41.0
108.07941	3.5
109.06520	77.8
109.10169	9.9
111.08083	4.5
113.06012	44.1
115.98343	3.4
117.07055	22.2
119.08583	44.2
121.06511	8.0
121.10156	16.6
123.08098	6.1
126.43651	3.8
128.06224	4.3
129.07005	21.2
131.08595	34.9
133.10147	31.7
135.08061	55.2
135.11682	13.3
141.07010	4.3
143.08595	13.8
145.10162	29.0
147.08046	5.5
147.11690	22.1
149.09648	8.1
149.13342	5.7
151.11287	4.7
155.08546	4.7
157.10149	17.8
159.11688	18.3
161.09648	9.5
161.13281	14.1
163.11194	3.4
167.62225	3.3
169.10153	10.1
171.11700	12.0
173.13301	7.0
174.55289	3.8
175.11246	5.1
175.14842	7.6
177.12810	6.3
183.11691	5.0
185.13231	6.8
187.14876	4.4
197.13214	4.0
199.14792	8.5
217.15941	12.6
241.19536	10.5
245.18910	4.5
257.18991	5.2
259.20532	20.8
273.18488	28.4
276.20566	3.6
279.15952	9.4
291.19608	76.5
315.23248	12.5
333.24274	55.9
347.22278	6.7
349.23740	5.9
365.23288	26.6
371.77771	4.0
531.38147	6.9
605.42078	22.2
623.33295	6.5
623.43054	100.0
624.43451	6.1
790.97717	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.5
67.05506	57.1
69.03420	3.8
69.07073	39.2
70.75705	4.1
71.04988	4.6
77.03982	2.0
79.05495	54.6
81.03423	10.1
81.07057	75.5
83.04979	11.5
83.08637	9.9
85.02908	2.9
85.06538	3.6
91.05483	73.9
93.07050	56.2
93.07639	2.6
95.01352	8.5
95.04971	11.4
95.08610	42.5
97.06537	31.7
97.10155	4.5
99.08057	1.7
103.05459	2.8
105.04501	2.4
105.07031	100.0
107.04959	19.2
107.08594	27.9
109.06496	4.2
109.10158	13.2
111.08079	4.7
113.09630	2.4
115.05453	3.0
117.07016	21.2
119.08585	55.9
121.06477	5.8
121.10161	17.4
123.04449	1.4
123.08090	6.0
123.11720	3.9
125.09615	2.7
128.06242	1.5
129.06996	8.1
131.04878	1.4
131.08577	36.8
133.10135	60.0
135.08070	5.2
135.11700	13.4
137.09570	3.6
139.07523	1.8
141.07033	2.5
142.07671	1.8
143.08559	9.2
144.09340	1.8
145.06485	2.9
145.10118	26.3
147.08046	1.9
147.11682	27.9
149.09654	10.7
149.13260	10.3
151.11209	1.6
155.08585	2.3
157.10172	4.0
159.11702	19.6
161.09595	2.0
161.13229	10.3
163.11188	6.1
165.09122	3.1
169.10182	3.5
171.11671	8.0
173.13342	8.6
175.11166	1.9
175.14880	3.4
177.12706	6.8
179.14308	17.9
183.11673	4.2
185.13222	4.5
187.11284	3.0
189.12817	2.3
195.13762	3.6
197.13235	2.3
201.16402	1.7
205.12247	1.7
211.14810	2.1
219.13893	2.9
219.17406	5.0
223.13283	1.8
231.21030	2.0
239.17979	6.8
241.19432	8.2
257.18970	10.7
259.20587	10.4
269.17566	11.4
275.20071	94.7
276.20432	2.7
279.15833	2.0
291.19699	2.2
293.21069	5.6
315.23260	2.8
333.24176	22.6
335.25726	1.9
349.23749	44.9
379.62775	1.6
415.24966	1.6
543.36737	30.3
607.43433	34.6
608.43341	3.5
623.42700	7.9
625.44391	4.4
641.44073	1.8
699.47626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	6.7
67.05510	80.9
69.03413	5.4
69.07073	19.8
70.06580	3.0
70.63682	3.8
70.64026	2.8
71.04982	5.7
71.08617	2.2
74.06013	1.6
77.03916	3.6
79.05502	72.5
81.03429	9.7
81.07063	79.8
83.04985	8.2
83.08634	14.3
85.02914	2.1
85.06537	7.3
91.05488	99.5
93.07050	72.0
95.05000	9.8
95.08071	2.5
95.08620	41.0
97.06541	9.5
97.10180	2.9
99.04477	1.9
102.10525	1.6
103.05463	3.6
105.04505	3.2
105.07040	100.0
107.04956	11.9
107.07885	2.6
107.08601	46.2
109.06514	7.9
109.10164	50.1
111.04501	2.0
111.08065	4.4
113.06000	1.7
115.05431	4.7
116.07072	5.7
117.07030	27.0
119.08591	59.2
121.06513	7.1
121.10149	21.4
123.08073	5.2
123.11727	9.0
125.05955	1.6
125.09644	3.9
128.06200	5.1
129.07024	17.5
130.07790	2.0
131.08572	32.9
133.06482	4.8
133.10141	79.5
135.08075	8.9
135.11711	16.6
137.09601	4.3
141.06993	2.8
142.07802	3.4
143.08559	15.2
145.06479	2.3
145.10146	27.6
147.08051	2.5
147.11696	29.8
149.09601	8.6
149.13258	7.4
151.11205	21.2
155.08514	4.0
156.09337	2.1
157.10139	14.2
159.08040	3.4
159.11693	17.9
161.09645	7.6
161.13281	17.1
163.11205	4.7
163.14822	2.0
169.10120	5.8
169.12244	4.3
171.11693	12.3
173.09677	2.0
173.13307	10.4
175.11218	2.6
175.14830	7.8
177.12822	2.7
179.08603	1.6
179.10753	1.8
181.10153	3.1
183.11705	4.6
185.13263	10.3
187.11177	1.8
187.14886	3.7
189.12758	2.5
195.11673	3.9
197.13271	3.0
199.11172	2.2
199.14868	5.1
205.17575	1.8
209.13231	2.8
213.16443	3.2
215.12718	3.9
223.13060	2.2
231.21030	2.8
235.14774	2.1
239.17932	3.2
241.19510	17.0
245.19075	3.8
250.65926	1.6
253.14368	41.1
257.18994	6.3
259.20596	36.6
262.47580	1.7
263.20142	3.6
271.15302	3.7
273.18539	11.1
275.20074	9.5
277.21637	2.2
287.20099	2.5
291.19604	17.8
297.22238	2.3
313.21774	2.3
315.23340	7.8
333.24268	36.0
347.22232	3.1
349.23508	2.8
353.28690	2.2
365.23267	24.3
409.31226	2.9
437.30426	2.5
455.31076	2.3
501.36157	2.8
511.34189	10.4
513.36969	3.5
529.35394	13.9
531.37897	5.4
543.36615	3.2
549.39447	3.9
605.41846	8.4
623.33380	2.6
623.43054	41.4
624.43011	3.6
629.10211	1.9
641.44421	4.7
660.66882	2.0
859.22211	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40529	2.3
65.03931	4.6
67.05505	58.4
69.03433	12.4
69.07072	35.1
71.04974	4.1
72.56288	2.3
77.79626	2.3
79.05492	55.5
81.03411	7.9
81.07063	50.7
83.04981	7.5
83.08621	16.8
85.06535	2.2
91.05484	64.1
93.07048	52.4
95.04988	11.6
95.08620	26.2
95.34106	2.3
97.02889	10.3
97.06517	7.7
97.10176	16.4
105.07040	65.0
107.04948	8.8
107.08585	33.4
107.97404	2.3
109.06509	6.2
109.10165	20.7
113.21658	2.2
113.88897	2.3
117.07020	23.6
119.07800	4.4
119.08584	49.6
121.06503	5.1
121.10148	14.7
123.08046	5.6
123.11706	4.3
125.09637	14.6
128.06252	4.3
129.05510	2.9
129.06975	14.2
131.08568	26.0
133.06511	6.6
133.10129	24.9
135.08034	5.4
135.11688	12.3
137.09622	4.0
141.06995	3.5
143.08539	10.6
145.10135	19.1
147.08070	7.2
147.11679	25.9
148.70334	2.3
149.09592	3.6
149.13229	5.3
153.09132	2.6
155.08504	6.0
157.10152	9.9
159.11708	17.2
161.09581	3.2
161.13264	16.7
163.11148	4.8
169.10132	6.0
171.10365	2.6
171.11646	12.4
173.13264	7.9
175.11284	2.4
175.14847	8.2
177.12718	2.9
183.11694	4.6
185.13329	6.2
187.14822	5.7
189.11232	7.5
195.11768	2.5
197.13258	2.9
199.14830	6.2
209.13278	2.8
211.14873	3.1
213.16432	2.8
223.13280	17.1
227.12762	10.1
231.21014	3.3
239.17937	4.9
239.51698	2.5
241.19563	18.3
249.14772	3.5
257.19049	3.4
259.20593	36.7
273.18500	9.2
275.20123	6.8
291.19540	100.0
292.19916	5.9
292.78546	2.4
299.23795	2.7
315.23279	4.4
331.22366	2.5
333.24219	41.1
342.00082	2.5
342.18826	2.1
365.23181	35.5
379.30099	4.4
488.97034	2.3
525.35938	6.1
531.37653	4.5
543.36804	9.0
605.41779	3.1
623.42938	37.5
624.43365	2.9
641.43597	5.1
659.85089	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17423	1.9
65.03933	6.2
67.05508	79.4
69.03429	4.2
69.07069	21.6
69.16249	4.4
69.16658	15.8
71.04993	5.9
79.05498	71.0
81.03403	6.1
81.07064	80.4
83.05000	9.6
83.08615	10.1
85.02921	2.1
85.06538	6.7
89.02178	2.0
91.05484	100.0
93.07047	67.7
95.04966	14.0
95.08617	39.4
97.06547	6.9
97.10147	4.3
99.08139	2.8
103.05480	3.6
105.04551	2.7
105.07034	95.2
107.04966	9.5
107.08598	52.3
109.06525	10.6
109.10162	52.2
111.08103	5.9
113.06057	2.9
115.05457	3.1
117.07036	21.3
117.37313	2.4
119.04987	2.0
119.08584	51.2
121.06523	5.2
121.10162	19.7
123.08051	3.9
123.11700	6.4
125.09647	2.4
127.07574	2.0
128.06239	5.1
129.07007	13.2
130.07848	2.5
131.08571	30.7
133.06509	5.2
133.10139	88.8
135.08025	9.4
135.11700	14.3
137.09633	4.6
139.07544	1.9
142.07765	3.2
143.08572	14.5
145.10155	23.0
147.08083	4.3
147.11700	31.7
149.09613	6.0
149.13266	9.6
151.11205	26.8
155.08527	5.3
156.09360	2.4
157.10176	11.6
159.11699	18.5
161.09662	7.0
161.13254	20.3
163.11177	4.6
169.10144	5.4
169.12236	4.3
171.11662	11.2
173.09650	2.4
173.13283	7.9
175.11261	3.8
175.14870	6.3
177.12767	3.2
183.11653	4.7
185.13274	9.7
187.11214	2.2
187.14754	5.1
189.12677	2.6
191.85027	2.0
195.11807	3.5
197.13321	3.4
199.11266	3.0
199.14827	3.4
201.16312	2.4
213.16455	3.2
215.12759	4.0
215.17947	3.2
217.12254	2.0
231.20964	4.8
239.18050	3.2
241.19572	18.0
245.19075	3.5
253.14374	68.0
254.14755	2.4
255.17441	2.5
257.19016	2.8
259.20590	50.0
263.20139	3.3
271.15292	2.1
273.18552	14.2
275.20044	4.5
291.19550	15.7
315.23175	7.5
333.24261	45.8
347.22253	3.5
365.23267	26.3
409.30975	2.2
437.30630	6.0
455.31833	2.0
487.67120	2.1
501.35895	4.1
511.34183	11.5
529.35321	16.4
531.38757	5.2
549.39319	4.1
590.81812	2.6
595.43433	2.8
605.41876	7.7
623.43018	28.6
624.43152	4.4
641.43768	6.2
747.06970	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	3.2
65.03941	4.5
67.05505	92.3
69.03423	5.9
69.07073	21.1
70.06577	2.5
71.04991	7.0
73.02920	2.7
77.08340	1.5
79.05493	37.0
81.03419	100.0
81.07054	45.9
83.04986	15.1
83.08625	28.5
85.02901	11.7
85.06536	3.8
87.04453	4.5
91.05479	41.0
93.07043	25.8
95.04965	39.6
95.08607	19.5
96.52917	1.6
97.02894	6.2
97.06532	7.5
97.10174	16.9
99.08089	2.8
103.05452	3.4
105.07043	25.7
107.04956	17.3
107.08604	18.2
109.06524	12.3
109.10157	60.7
111.04447	4.6
111.08102	8.9
115.05438	2.4
116.07068	2.1
117.06974	8.3
119.04964	2.8
119.08585	25.1
121.06521	12.1
121.10133	11.3
123.04445	5.0
123.08071	6.3
123.11692	1.6
125.09641	14.6
128.06215	2.6
129.05457	2.2
129.07007	15.0
131.04938	3.3
131.08582	14.2
133.06506	5.5
133.10121	9.6
135.04457	1.8
135.08051	4.6
135.11708	7.6
137.09622	3.8
142.07780	4.4
143.08640	2.0
143.10764	1.7
145.06485	3.3
145.10117	10.8
147.04434	5.9
147.08063	6.1
147.11702	8.2
149.09596	9.1
153.09201	2.0
153.12726	8.0
155.08536	2.2
155.10695	5.6
157.10120	12.3
159.08009	1.9
159.11671	3.0
161.09645	3.3
163.11168	14.1
165.12816	2.4
171.11667	3.4
173.09642	3.4
173.11748	13.9
173.13089	3.1
175.11201	10.9
177.12650	2.0
181.12209	6.8
184.07294	2.5
189.11259	5.5
191.10692	4.9
193.12231	31.0
193.13884	2.4
199.13338	4.5
201.09128	1.6
205.12215	2.5
209.11678	9.6
211.13220	10.5
213.12820	1.6
217.14310	1.9
219.13828	4.6
223.13260	2.1
227.12766	18.9
229.12149	3.0
229.14355	44.1
229.30400	1.8
230.14696	2.2
231.13835	5.6
233.15331	2.5
235.13318	2.2
247.13304	4.1
249.14905	5.7
259.13324	5.8
267.15903	87.5
268.16232	1.8
273.18414	6.5
274.18796	1.7
275.12814	1.9
283.15417	9.9
285.17026	2.0
289.17920	2.4
293.17401	2.2
301.16592	9.7
329.21313	1.7
355.22922	3.7
367.22537	3.7
373.23770	4.2
383.22067	7.7
385.23679	6.6
399.23911	13.7
401.23184	5.7
403.24655	3.4
419.24124	2.3
421.25879	26.7
457.25803	2.3
458.26520	14.9
459.27267	5.2
475.26974	12.6
476.27634	17.1
477.28296	3.2
479.87021	1.9
493.28201	11.5
511.29053	2.9
518.32239	4.9
589.62311	1.6
591.35248	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	838.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	4.1
61.18392	1.6
65.03939	3.2
67.05508	94.8
68.05838	1.9
69.03429	6.5
69.07071	19.7
69.18356	5.2
69.18779	11.8
69.98853	1.5
70.06595	4.5
71.01353	3.4
71.05000	7.4
73.02921	3.3
79.05019	2.2
79.05495	41.1
81.03422	100.0
81.07060	49.6
82.07407	2.4
83.04983	13.2
83.08620	26.9
85.02908	7.9
85.06549	3.8
87.04466	4.8
91.05487	40.0
92.05790	1.9
93.07057	25.0
95.04980	32.6
95.08604	21.0
97.02902	7.0
97.06532	9.6
97.10172	18.9
98.20741	3.3
99.04511	1.8
103.03829	1.7
103.05447	2.3
105.07041	25.1
107.04941	13.5
107.08617	20.3
107.14800	1.7
108.67317	1.5
109.02882	2.4
109.06554	10.2
109.07288	1.7
109.10156	58.4
111.04467	5.2
111.08096	11.3
114.00766	1.5
114.35379	1.6
115.05498	1.8
116.07090	2.6
117.07001	8.5
119.04903	1.8
119.08580	23.5
121.06501	10.0
121.10171	14.2
123.04448	4.6
123.08055	4.0
123.11663	2.0
125.09621	13.5
128.06259	2.7
129.05595	2.2
129.07011	14.2
130.07703	1.6
131.04907	1.7
131.08595	17.9
133.06505	5.6
133.10138	8.3
135.08038	5.3
135.11694	7.5
136.31375	1.8
137.09622	6.0
139.11159	1.7
141.06973	2.0
142.07736	2.4
143.06964	1.8
143.08592	3.8
145.06549	2.6
145.10112	11.1
147.04474	5.1
147.08041	7.5
147.11694	10.9
149.05949	1.7
149.09619	8.6
153.09122	2.1
153.12781	4.4
155.08623	2.7
155.10645	4.3
157.10110	14.6
159.11636	2.0
161.09596	3.7
163.11206	10.2
171.11626	2.9
173.09575	3.9
173.11766	12.4
175.11180	10.5
181.12265	3.2
184.07390	1.7
185.13261	2.3
189.11218	6.2
189.12735	1.8
191.10687	3.6
193.12238	30.5
199.13351	3.0
203.14310	2.1
205.12157	3.2
209.11740	7.3
211.13182	8.0
217.14348	4.0
219.13786	4.0
223.13353	2.7
227.12784	14.3
229.14368	42.1
231.13834	3.4
232.14680	2.4
247.13455	3.3
249.14949	4.1
259.13345	4.3
267.15918	68.2
268.16251	1.8
273.18497	5.1
275.20145	1.8
277.14035	1.7
283.15430	5.1
291.19800	3.1
301.16537	6.6
315.61658	1.9
355.22577	2.2
363.21753	2.9
365.21240	2.9
367.22729	3.6
383.22171	7.2
385.23599	4.4
399.23901	10.7
401.23163	6.2
403.24771	2.4
421.25903	18.3
457.25653	1.7
458.26807	8.3
459.27301	3.7
475.26974	5.5
476.27692	12.5
493.28027	8.6
511.28406	4.2
518.32434	3.4
591.34875	4.8
658.42627	1.9
839.46667	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	838.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99570	0.4
65.03945	0.2
67.05505	0.6
68.99797	1.4
69.03414	0.3
69.53659	1.5
71.01346	0.5
71.04993	8.6
72.08157	0.2
75.04465	0.3
76.02228	2.1
77.03918	0.5
79.05482	1.1
81.03414	0.4
81.07060	2.2
83.04971	0.5
83.06078	0.2
84.04509	1.8
85.01151	0.2
85.02906	9.6
87.02663	0.4
87.04450	0.3
91.05477	0.4
93.07030	0.4
95.04987	1.0
95.08596	2.4
96.04488	0.3
105.03386	0.8
105.07013	0.3
107.08578	0.2
109.02876	0.2
111.04430	0.6
112.03944	0.3
113.04240	0.7
114.05552	0.3
116.01650	0.6
117.06998	0.4
119.04938	0.2
119.08545	0.5
121.06494	0.5
123.04430	82.7
123.08043	0.9
124.04778	0.6
129.05486	1.6
130.05009	0.7
130.06868	1.0
130.08630	0.5
131.04918	0.2
133.02870	0.6
135.04437	1.2
135.08022	0.4
137.02335	0.9
137.05992	0.8
137.09621	0.3
137.98730	0.2
139.03897	5.1
142.03192	0.2
142.05017	0.6
144.01163	0.4
147.04387	0.5
147.07961	0.3
148.06094	0.3
149.02341	0.5
149.05981	0.3
151.03931	1.1
153.01874	0.2
159.04456	0.3
161.02367	0.4
161.06000	0.5
162.02226	1.0
163.03900	2.6
163.07520	1.8
165.01843	16.3
165.05469	1.5
165.09106	0.4
166.20500	0.2
167.03404	0.4
168.49246	0.2
169.06401	0.4
173.06094	0.2
175.03851	1.1
175.07526	0.2
177.01848	1.7
177.05573	0.2
179.03380	1.1
179.04878	2.2
179.07124	0.3
181.06444	0.2
183.02904	3.8
184.09700	0.6
184.81364	0.2
187.03909	0.8
189.01796	0.4
189.05424	1.1
191.03395	2.1
191.07109	0.2
193.12357	0.2
195.02930	0.3
197.05975	0.4
201.05350	0.2
201.09012	0.3
203.03406	1.1
203.07146	0.4
205.08643	1.6
207.02945	0.5
207.10153	8.1
215.07091	1.0
216.06903	0.3
217.04941	0.2
222.28818	0.2
225.05458	0.5
229.04863	0.2
229.08603	0.5
231.06500	1.9
233.06007	0.8
233.08047	13.0
234.08411	0.2
234.83580	0.2
243.06525	2.0
247.09592	0.3
249.07576	6.4
249.10025	0.4
250.14496	0.3
251.09183	1.1
255.06485	0.6
257.04395	0.8
257.08014	0.5
258.05093	0.5
269.08218	1.3
269.10953	0.2
271.06015	3.6
283.05737	0.2
285.07480	0.2
287.10394	0.2
293.11890	0.3
297.07672	0.7
299.05493	2.7
301.16513	0.4
308.09103	4.5
311.09213	0.5
311.12738	4.1
317.06540	0.3
325.06973	0.7
339.12271	16.3
340.12531	0.3
349.10895	0.2
357.13171	0.4
362.13824	0.5
367.11789	13.5
368.12097	0.3
385.12811	100.0
386.13156	2.7
469.24509	0.2
493.28210	0.4
531.11011	0.4
531.18622	5.9
532.18683	0.2
641.39392	0.2
658.34058	0.3
733.45447	0.2
860.32611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15201	3.4
63.84473	2.9
65.03935	7.4
67.05513	74.5
69.03436	8.8
69.07069	17.4
69.22900	26.7
70.91892	3.1
71.04970	6.0
74.52661	2.8
77.89034	3.8
79.05499	47.1
79.99210	3.5
81.03425	11.3
81.07066	61.5
83.05009	5.8
83.08624	11.5
84.08123	4.2
85.02869	5.9
85.06554	11.1
91.05494	40.9
92.05804	3.8
92.62776	2.8
93.07053	36.2
95.04984	49.4
95.08619	36.3
97.02916	5.9
97.06523	13.9
97.10184	8.0
99.08090	4.8
105.07045	35.6
107.04942	14.7
107.08605	29.8
109.06524	58.6
109.10194	19.8
109.10820	3.6
111.08066	4.6
113.06020	32.8
115.05419	3.2
117.07027	14.0
119.08598	23.4
121.06521	7.4
121.10155	12.9
123.08050	8.6
123.11738	3.2
125.09611	4.2
128.06276	4.0
129.07008	13.2
131.08583	24.3
133.06500	3.8
133.10130	17.9
135.08060	40.5
135.11710	17.7
137.09605	4.0
143.08582	12.7
145.10124	17.0
147.08038	8.5
147.11699	11.7
149.09634	12.3
149.13268	4.5
157.10173	12.7
159.11710	14.1
161.09660	7.2
163.11221	9.5
169.10126	4.9
171.11659	6.0
173.11795	3.4
173.13304	8.7
175.11195	5.4
177.12810	5.0
185.13266	3.4
197.13248	4.0
199.11238	4.7
217.15891	12.7
219.13811	4.9
227.12715	3.8
229.14340	4.6
244.23055	3.6
257.18893	4.9
269.17542	8.8
273.18533	40.6
275.20102	23.7
291.19568	100.0
292.20111	3.9
347.22134	13.1
349.23694	19.0
365.23218	21.3
367.24786	6.0
501.24103	3.3
545.34412	6.3
559.36115	12.8
621.41388	9.2
639.42438	19.2
657.43311	9.3
837.47363	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	836.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	7.8
67.05179	6.3
67.05508	93.8
68.05832	5.7
69.03439	9.8
69.07075	34.8
70.10296	12.5
71.08633	4.0
77.45618	3.6
77.96415	4.1
79.05495	58.8
80.05811	5.8
81.03429	30.0
81.07062	71.9
82.07391	4.2
83.04981	9.2
83.08621	11.3
85.06535	10.8
86.85386	3.2
91.05488	78.7
93.06490	4.8
93.07048	61.7
95.04969	77.6
95.08620	45.3
97.02876	6.9
97.06534	50.2
97.10173	7.6
103.05476	5.0
105.07040	75.4
107.04971	29.0
107.08606	42.5
109.02835	4.1
109.06515	68.3
109.10168	20.3
111.08041	8.2
113.06007	29.3
116.06207	3.4
117.07026	30.8
119.08581	46.9
121.06487	11.7
121.10159	18.2
123.04436	7.9
123.08057	5.9
125.09637	4.5
127.03945	5.5
129.07008	13.0
131.08580	30.7
133.06071	18.6
133.10150	44.6
135.08060	43.0
135.11708	12.6
136.06172	14.3
137.09639	4.4
139.03893	10.4
143.08592	16.8
145.06500	8.0
145.10118	27.6
147.08093	8.5
147.11696	20.2
149.09615	15.8
149.13272	8.9
155.08569	6.0
157.10112	17.2
158.51993	3.5
159.08064	8.7
159.11714	13.2
161.09679	11.6
161.13275	5.1
163.03891	5.8
163.11159	13.6
169.10091	6.2
171.11688	8.0
173.04539	4.7
173.13289	8.2
175.11171	7.3
177.12730	5.1
179.14346	10.5
183.11623	4.3
185.13315	6.2
187.11215	5.5
189.11147	4.0
195.13913	4.2
199.14819	3.4
201.12715	3.6
217.15898	8.5
229.14403	5.8
255.17554	4.6
267.16089	11.4
268.16312	6.1
273.18515	42.5
275.20090	81.5
276.20401	5.3
279.15790	5.3
291.19574	94.9
292.19974	5.6
313.27399	5.1
329.20837	4.9
347.22366	23.8
349.23737	57.2
365.23337	29.2
549.70251	4.0
621.41345	41.5
639.42627	100.0
640.42767	9.9
657.42712	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	836.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46110	1.3
59.04994	1.9
65.03957	3.9
67.05511	62.3
69.03433	6.2
69.07078	34.9
69.27756	13.9
72.49579	1.4
75.85027	1.5
77.03926	1.5
79.05501	52.4
81.03422	11.8
81.07066	71.0
83.04985	11.4
83.08653	10.4
85.06548	4.3
91.05493	76.0
93.07050	51.8
95.01334	7.7
95.04978	13.4
95.08619	36.5
97.02932	2.1
97.06541	34.3
97.10195	3.1
99.04412	1.7
99.08101	2.1
103.05464	5.5
105.04610	1.7
105.07039	100.0
107.04969	18.9
107.08607	35.1
109.02883	1.4
109.06506	8.5
109.10172	34.5
111.04408	2.1
111.08086	4.2
115.05471	2.0
117.07022	20.4
119.08591	41.5
121.06522	10.9
121.10158	11.3
123.04458	2.9
123.08067	5.8
123.11725	5.4
125.09614	3.1
127.07539	1.7
128.06221	1.9
129.07021	6.1
131.08583	28.3
133.06511	5.4
133.10146	69.7
134.10460	1.8
135.08067	8.5
135.11728	9.1
137.06015	2.2
137.09619	3.6
139.07552	1.9
141.07027	2.0
143.08655	6.9
145.06528	2.1
145.10118	19.8
147.08054	4.5
147.11697	15.8
149.09630	14.2
149.13252	4.7
151.11191	16.8
155.08562	3.4
157.10138	5.7
159.08109	3.0
159.11731	12.0
161.09608	4.8
161.13275	5.8
163.11205	5.2
165.09059	2.4
165.12790	1.4
169.10133	2.8
169.12328	1.7
171.11732	5.4
173.09674	3.2
173.13261	4.5
175.11221	3.3
177.09157	2.4
177.12756	2.3
179.10721	2.7
179.14316	11.0
183.11685	2.9
184.07335	3.3
185.13228	2.6
187.11241	3.1
187.14948	2.0
189.12712	1.7
195.13832	1.9
197.13283	2.2
199.14720	1.7
201.16487	1.7
215.12781	1.6
223.13165	2.2
227.17892	2.2
239.17973	3.3
245.19116	1.9
247.20628	1.6
251.12653	3.4
253.14371	63.9
255.17380	3.0
257.19012	6.1
263.20105	2.0
273.18539	14.8
275.20090	82.7
291.19519	20.9
293.21140	4.7
309.20438	1.9
313.27444	5.0
329.21127	2.2
347.22256	12.0
349.23773	40.5
365.19009	2.6
365.23291	35.8
366.23587	1.6
510.42166	1.5
515.80127	1.6
536.79407	1.6
543.33136	1.9
545.35144	10.5
607.43665	2.5
621.41553	9.2
631.16345	1.6
639.42566	80.2
640.42743	3.4
837.23730	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	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	1.5
65.03934	4.8
67.05508	61.6
69.03429	5.9
69.06732	2.2
69.07073	32.8
70.06584	1.4
77.03919	1.6
78.02818	1.1
79.05497	58.5
81.03426	12.5
81.07061	76.5
83.04992	15.1
83.08633	10.9
85.02893	1.6
85.06542	4.2
89.06099	1.7
91.05486	76.3
93.07047	56.9
95.01338	4.6
95.04967	14.9
95.08612	34.8
97.02872	1.7
97.06531	35.9
97.10169	6.8
99.04498	1.4
103.05461	4.1
105.04532	2.7
105.07035	87.9
106.07332	2.0
107.04965	21.8
107.08595	32.1
109.02897	1.9
109.06519	9.7
109.10162	25.4
111.04456	1.6
111.08083	5.1
115.05470	2.4
116.06256	2.7
116.07076	2.1
117.07021	19.3
119.04944	1.3
119.08583	42.9
121.06514	12.9
121.10133	11.7
123.04424	1.8
123.08085	7.6
123.11717	6.2
125.09636	5.6
127.07568	1.7
129.06996	5.7
130.07799	1.9
131.08571	28.1
133.06480	4.9
133.10133	63.6
135.08070	9.0
135.11694	9.4
137.09613	2.7
139.07530	3.5
141.06984	3.3
143.08580	8.0
145.06505	3.4
145.10136	21.1
147.08034	4.3
147.11700	16.0
149.09645	17.6
149.13280	3.7
151.11191	13.0
155.08542	2.1
157.10144	5.4
159.08043	2.5
159.11717	10.0
161.09660	5.3
161.13277	8.1
163.11244	6.7
165.09106	2.8
169.10094	2.9
169.12277	1.6
170.94347	1.2
171.11711	5.0
173.11832	2.1
173.13269	4.9
175.11188	5.4
177.09102	2.4
177.12775	3.8
179.10704	2.1
179.14325	13.9
183.11766	2.7
184.07356	4.2
185.13298	1.7
186.08141	1.3
187.11179	4.0
187.14929	1.9
189.11214	1.9
189.12727	1.8
195.13835	1.7
197.13228	3.5
199.14857	1.4
201.13011	1.6
207.13739	1.6
215.12816	1.3
219.17545	1.4
223.13313	3.5
227.12743	2.8
227.17747	1.6
229.19449	1.8
239.17894	2.4
245.19060	3.6
247.20576	2.1
251.12898	3.5
253.14400	40.4
255.17462	2.7
257.18994	5.7
263.20108	1.5
273.18512	24.6
275.20081	90.0
276.20389	2.5
291.19528	32.6
292.19867	1.4
293.21167	5.9
309.20740	2.1
313.27731	1.9
329.21066	2.4
347.22229	11.5
349.23730	38.2
365.23248	32.6
471.31488	1.9
524.29517	1.5
527.33667	3.2
541.35242	1.6
543.32965	2.1
545.34869	8.6
547.96008	1.4
578.21448	1.6
610.45575	2.2
621.41425	13.4
639.42535	100.0
640.42572	3.8
656.45142	2.8
657.43250	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	835.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02950	1.1
65.03944	6.5
67.05510	63.9
69.03423	4.2
69.07084	10.5
69.85703	7.3
71.05000	3.3
79.05499	29.7
81.03423	9.5
81.07066	30.5
83.04975	4.1
83.08617	5.7
83.14808	1.3
85.06551	12.2
91.05494	31.5
93.07052	30.8
95.04978	66.0
95.08618	19.6
96.40509	1.2
97.02879	1.7
97.06567	6.3
97.10172	3.8
103.05465	1.2
105.07047	26.8
106.07371	1.5
107.04970	13.4
107.08609	20.3
109.06528	54.4
109.10145	8.0
111.08083	3.1
113.06020	33.7
115.05474	2.3
117.07030	15.1
119.08604	12.2
121.06515	6.8
121.10170	7.8
123.04432	1.7
123.08092	4.4
125.09631	1.4
128.06213	3.1
129.07011	9.6
131.08585	19.1
133.06499	4.2
133.10155	9.8
135.08063	37.5
135.11682	6.8
137.09674	1.7
139.03922	3.6
141.06960	2.5
143.08578	9.1
145.06483	2.2
145.10146	12.1
147.08046	7.8
147.11688	4.8
149.09680	7.6
149.13298	4.2
155.08583	2.5
157.10095	7.0
159.08119	2.7
159.11705	6.3
161.09602	9.4
161.13243	1.7
163.11180	5.9
165.09116	2.1
169.10141	3.1
171.11700	5.3
173.04489	1.6
173.09616	1.7
173.13281	3.7
175.11191	4.1
177.12703	2.9
179.50456	1.4
183.11678	3.6
185.09608	2.6
187.11203	2.9
187.14796	1.6
189.16452	1.6
199.14871	3.7
211.14807	1.4
217.15875	12.6
227.17908	3.7
233.15332	2.2
237.16362	2.8
245.19200	2.2
255.17522	4.7
263.63632	1.5
273.18518	42.0
275.20035	3.9
279.15936	1.6
289.17841	2.3
291.19565	100.0
292.19861	4.0
296.00180	1.3
307.19235	1.7
329.21109	2.2
347.22351	14.8
349.23734	2.5
365.23209	20.6
490.32315	2.1
548.61511	1.4
558.68414	1.4
619.39880	4.6
637.41022	12.7
655.42163	16.9
689.96423	1.3
835.45953	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	835.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.0
65.03948	12.4
67.05508	100.0
68.90025	2.9
69.03430	18.1
69.07076	30.5
71.01369	3.0
71.04991	9.1
73.02930	3.8
77.03943	2.7
79.05496	83.3
80.06244	2.6
81.03425	36.1
81.06586	4.9
81.07061	89.5
83.04996	22.8
83.08633	15.1
85.02902	7.9
85.06544	9.3
89.74223	2.5
91.05490	80.3
93.07050	73.1
95.04974	72.0
95.08054	4.3
95.08614	43.9
97.02892	18.1
97.06525	19.0
97.10159	11.8
99.04472	4.8
99.08095	4.4
103.05476	6.6
105.04537	2.5
105.07039	67.9
107.04962	48.3
107.08602	43.9
108.05709	2.7
109.02897	7.1
109.06525	49.2
109.10155	24.8
111.04439	7.8
111.08093	11.0
113.05991	26.0
115.05474	6.1
117.07037	31.2
119.04968	7.1
119.08591	43.1
121.06506	20.9
121.10159	19.7
121.90621	2.7
122.07269	8.1
123.04425	11.3
123.08073	14.0
123.11745	4.1
125.06043	3.3
125.09650	9.6
127.03916	7.0
128.06238	7.6
129.05450	4.3
129.07011	21.8
130.07825	3.2
131.03435	2.7
131.04865	2.7
131.08571	38.5
133.06483	15.0
133.10153	27.4
135.08061	30.7
135.11690	14.8
137.05983	5.1
137.09602	5.3
139.03914	9.9
141.06996	7.0
142.07797	4.5
143.08563	17.2
145.06450	9.9
145.10149	22.2
147.08032	19.9
147.11705	16.4
149.09624	12.0
149.13271	10.7
151.11136	4.1
153.09108	3.2
155.08542	7.3
157.06493	4.3
157.10165	11.5
159.08090	8.2
159.11700	18.1
161.09657	16.6
161.13213	4.5
163.03976	3.1
163.07532	3.8
163.11188	12.0
165.09111	5.4
165.12708	4.6
169.10158	8.1
171.11693	9.3
173.04434	8.1
173.05949	2.8
173.09622	3.2
173.11810	4.2
173.13249	6.3
175.11208	8.0
177.05542	3.3
177.12773	9.6
179.14244	3.5
181.10211	3.6
183.11668	6.3
185.13261	8.6
187.11218	10.0
187.14775	3.4
189.11220	4.6
189.12787	3.3
193.12325	4.1
195.11772	3.2
195.13782	4.3
197.13277	6.3
199.14908	3.7
201.12698	3.9
205.12254	5.9
215.14357	3.9
217.15872	9.6
223.13240	3.8
227.12704	6.3
227.17947	2.7
229.14339	3.5
233.15413	9.8
245.19028	4.6
248.98920	2.8
249.14806	4.7
257.19006	5.6
261.14880	4.4
269.17474	5.5
273.18488	32.6
275.20065	33.7
279.15759	5.4
289.18011	11.3
290.18826	6.4
291.19556	71.7
301.21439	3.4
307.19113	4.5
327.18475	2.5
347.22232	12.4
349.23813	17.6
356.56729	3.1
363.21777	3.6
365.23370	19.9
381.22711	15.3
413.21561	5.5
437.38635	3.6
449.36682	2.7
504.43771	2.7
517.31592	5.4
557.35114	4.5
575.36322	6.8
597.37592	4.5
609.04321	2.8
609.37988	4.9
621.41138	3.2
637.40729	12.8
655.42267	22.6
673.43311	3.7
719.38879	6.6
817.45990	3.5
835.48682	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	835.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.6
65.03943	3.9
67.05512	52.7
69.03429	9.8
69.07072	17.7
71.01333	1.6
71.05001	4.4
71.51125	1.8
77.76768	1.3
79.05505	37.8
81.03436	14.7
81.07065	35.5
83.04987	7.6
83.08630	11.5
85.02921	4.2
85.06554	10.3
91.05488	33.1
93.07056	29.4
95.04978	46.6
95.08620	18.6
97.02899	6.4
97.06543	7.9
97.10165	9.5
103.05447	1.6
105.07042	25.6
105.07697	2.3
107.04954	14.3
107.08604	17.4
108.08926	1.3
109.02876	3.4
109.06522	40.0
109.07266	2.3
109.10163	12.1
111.04473	2.2
111.08093	3.7
113.06027	17.5
115.05481	4.7
116.06241	1.5
117.07037	15.4
119.04955	2.4
119.07393	1.2
119.07755	1.6
119.08591	16.8
120.12137	1.5
121.06522	8.1
121.10178	9.0
123.04453	3.0
123.08064	5.8
123.11691	1.6
125.09604	7.1
127.03944	2.7
128.06216	3.0
129.07007	9.2
131.08594	20.5
133.06546	4.0
133.10147	10.0
135.08064	28.7
135.11694	5.7
137.09610	2.1
139.03951	4.6
141.07018	3.8
142.07831	2.1
143.08545	10.9
145.06497	2.2
145.10133	13.8
147.08049	10.1
147.11710	7.5
149.09651	6.5
149.13287	3.7
151.07509	1.9
151.11227	1.5
155.08601	2.5
157.06595	2.0
157.10164	10.5
159.08060	5.0
159.11662	6.7
161.09627	7.9
161.13254	1.6
163.03915	3.2
163.11205	6.1
167.08629	1.5
169.10139	2.6
171.11679	4.4
173.04436	1.9
173.13330	2.9
175.11234	5.0
177.12793	3.4
181.10104	1.6
185.13316	2.5
185.74312	1.3
187.11127	3.1
189.11203	3.5
189.12712	2.2
191.14171	1.7
193.12292	4.0
195.11943	1.6
195.13811	2.5
199.14891	2.1
201.12796	1.7
211.13316	2.1
213.12837	1.9
217.15900	7.3
223.13184	7.1
227.12740	7.0
227.17982	1.9
233.15459	1.9
243.16211	2.2
245.19038	2.6
249.14911	2.1
255.17500	3.3
267.16000	7.4
273.18533	37.8
275.20230	4.5
279.16083	2.5
289.17981	1.8
291.19568	100.0
292.19940	2.6
297.26462	1.4
309.20389	1.8
315.19241	2.1
347.22186	11.5
365.23254	28.9
539.34015	1.9
557.34619	8.5
619.39856	1.9
637.40918	11.1
655.41974	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	835.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04963	2.2
65.03940	5.9
67.05510	100.0
67.65932	2.1
69.03433	20.6
69.07071	26.7
69.40623	11.9
69.41029	5.8
70.04985	2.4
71.01338	4.7
71.04984	10.1
73.02914	3.0
79.05498	68.6
81.03423	51.1
81.06588	4.2
81.07064	75.9
83.04990	22.9
83.08621	15.7
85.02901	12.5
85.06557	5.0
89.06002	2.4
91.05487	79.7
93.07051	53.1
95.01303	2.9
95.04977	33.6
95.08611	45.5
97.02893	21.5
97.06538	46.7
97.10191	14.7
99.04457	8.8
99.08123	3.4
103.05451	4.2
105.04506	3.2
105.07037	71.8
107.04963	27.8
107.08601	34.5
109.02893	15.3
109.06525	16.6
109.10159	39.2
111.04445	10.8
111.08081	8.7
113.06020	4.6
115.05388	2.3
117.07028	25.5
119.04936	2.7
119.08583	40.0
121.06503	10.8
121.10152	18.0
122.07280	3.2
123.04443	6.7
123.08096	7.7
123.11725	4.9
125.06026	2.5
125.09620	14.1
127.03938	11.3
128.06253	7.4
129.05505	4.8
129.07024	11.7
131.04936	2.8
131.08582	31.8
133.06503	9.3
133.08595	3.1
133.10139	35.1
135.08066	9.7
135.11668	10.9
137.09656	6.7
139.03940	8.8
139.07610	2.3
139.11102	2.8
141.07019	6.2
142.07843	4.1
143.08583	12.9
145.06464	4.8
145.10130	26.2
147.08087	10.8
147.11700	20.8
149.09630	21.7
149.13313	4.5
151.07524	3.3
151.11171	5.4
155.05713	2.3
155.08572	4.0
157.10123	10.1
159.08093	6.5
159.11717	18.4
161.09653	9.9
161.13251	8.5
163.03880	3.5
163.07510	3.2
163.11243	10.7
163.14835	3.0
165.09116	7.3
169.10153	6.7
171.11713	7.8
173.03204	3.1
173.04472	19.1
173.05849	4.0
173.09627	7.6
173.11876	4.3
173.13315	6.7
175.11206	5.4
175.14803	3.5
177.12788	6.2
179.14348	7.8
183.11678	2.9
185.09663	2.1
185.13242	5.2
187.11241	5.9
189.11185	4.2
197.13255	4.0
199.13278	2.4
209.11757	2.7
215.14401	3.6
217.15842	4.5
227.12767	4.6
227.20029	9.0
229.12318	4.2
229.14308	23.6
233.15439	5.0
247.20627	3.9
257.19083	9.4
267.15900	3.3
271.17087	2.7
273.18457	9.7
275.20102	81.8
276.07172	2.6
278.80875	2.5
279.15970	3.2
289.18063	10.7
290.18784	3.6
291.19592	6.5
293.21243	4.0
301.21490	2.8
307.19238	2.5
347.22061	3.0
349.23758	39.0
381.22800	9.0
399.24072	2.9
503.33801	12.8
521.35059	6.1
591.74500	2.6
609.37598	7.1
621.41541	5.3
637.41156	3.9
655.41748	11.0
673.43237	3.7
710.66736	2.3
815.47009	2.7
835.47205	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	835.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	8.5
66.08627	3.1
67.05506	100.0
69.03439	18.0
69.07067	32.4
70.04682	2.7
71.01359	5.2
71.04984	5.8
79.05065	5.8
79.05496	69.7
81.03412	34.5
81.06589	4.4
81.07057	73.4
83.04984	22.2
83.08621	12.1
85.02903	11.7
85.06548	3.5
87.04443	2.8
91.05481	62.2
93.07042	60.9
95.01346	3.3
95.04978	37.7
95.08607	44.4
96.52560	3.3
97.02915	16.3
97.06559	20.1
97.10165	12.3
99.04422	4.6
103.05499	6.0
105.04523	4.6
105.07043	56.2
107.04957	43.3
107.08610	35.8
109.02896	4.8
109.06521	22.0
109.10164	29.8
111.04393	4.7
111.08076	8.1
113.05994	8.7
115.05465	3.5
116.06217	2.8
117.07014	33.4
119.04922	3.1
119.08598	38.5
121.06496	10.2
121.10143	20.0
122.07289	3.4
123.04420	8.6
123.08080	8.1
123.11728	6.5
125.09626	6.7
126.97945	3.3
127.03926	6.0
127.42826	2.8
128.06197	4.7
129.05472	3.0
129.07011	14.6
130.07820	2.8
131.04904	3.9
131.08578	33.1
133.06476	10.4
133.10120	26.1
135.08047	20.7
135.11668	14.5
137.09625	6.2
139.03853	7.2
141.06987	8.1
143.08585	12.8
144.09380	3.3
145.06523	10.9
145.10112	21.6
147.08038	17.6
147.11722	15.8
149.09648	14.6
149.13295	8.0
151.07533	3.3
151.11159	6.1
153.09213	4.5
155.08563	6.2
157.06519	3.6
157.10133	9.1
159.08058	6.5
159.11697	17.2
161.09621	12.0
163.03900	4.3
163.11226	10.0
169.10150	8.4
171.11685	11.1
173.04446	11.6
173.09566	4.6
173.11810	4.4
173.13313	5.5
175.11177	9.2
177.09258	3.2
177.12784	5.2
183.11723	3.5
185.09590	3.2
185.13229	4.3
187.11298	4.3
187.14839	5.1
189.11185	5.4
189.12715	5.7
195.13589	3.5
197.13377	5.0
203.14359	3.6
205.15756	3.9
215.14348	4.0
217.15985	5.1
227.12755	7.1
229.14381	9.5
233.15414	7.3
247.20647	3.2
257.19055	7.8
267.15894	7.0
269.17352	6.0
271.17010	6.1
273.18542	14.8
275.20013	31.9
279.15997	7.1
289.17810	6.4
291.19513	21.7
293.21320	3.9
313.16702	4.0
335.18338	3.2
347.22296	4.3
349.23825	14.2
360.85565	3.3
365.23392	9.1
373.59039	3.0
381.22690	9.9
413.21667	4.0
503.33749	3.3
505.38364	3.9
519.33124	4.1
575.35516	8.3
621.41467	3.6
625.63831	3.5
637.40985	5.5
638.41241	6.3
655.42047	9.2
719.38989	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	834.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90534	2.0
65.03922	2.4
65.54549	2.2
67.05505	48.2
67.54430	1.8
67.99444	2.0
69.07075	18.1
70.06573	2.2
71.04993	9.1
71.08627	23.5
79.05493	17.6
80.93162	1.9
81.03418	5.7
81.07056	36.3
82.28555	2.1
83.04997	5.7
83.08629	16.2
85.02908	4.1
85.06488	2.4
85.10188	11.6
87.04474	3.0
89.06033	2.5
91.05474	20.2
93.07043	24.0
95.04971	4.4
95.08604	27.9
97.06526	7.4
97.10171	6.8
97.32074	1.9
105.07043	12.2
107.04961	5.1
107.08568	14.3
109.06504	3.6
109.10152	25.2
111.08078	4.1
117.07032	8.6
118.16037	1.8
119.08573	9.6
121.10168	7.3
123.11706	4.7
125.09634	2.5
129.05490	2.7
131.08563	7.8
133.10146	7.1
135.11687	3.4
145.10107	4.8
147.11682	3.4
149.09612	3.2
149.13228	6.9
159.11708	7.9
163.11240	2.7
173.11768	7.2
173.13254	3.0
177.12779	3.0
184.07326	4.1
195.13844	3.0
197.13272	2.3
227.12843	3.4
229.14299	24.4
257.19064	3.1
269.17502	5.7
275.19962	14.1
311.29477	5.8
313.27371	52.7
339.17892	3.4
349.23727	15.6
413.21631	12.4
467.37219	13.8
507.40475	100.0
508.40927	4.4
587.46625	19.3
619.49182	7.0
651.44733	4.8
700.25732	2.3
706.97955	2.1
834.52478	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	831.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.4
61.02932	6.1
67.05508	7.2
69.03426	3.4
69.07082	2.0
69.80563	0.4
70.17606	1.2
71.04998	0.7
73.02914	4.7
79.05495	5.2
81.03435	1.7
81.07054	7.6
83.04981	0.5
83.08649	0.8
85.02908	5.8
86.09718	0.5
91.03932	2.9
91.05489	4.7
93.07043	6.6
95.04999	0.5
95.08603	4.7
95.09095	0.5
97.02896	5.2
97.06534	0.4
97.10165	0.4
99.04470	0.8
101.02390	2.5
105.07057	3.0
107.08601	2.8
109.02868	0.7
109.10184	2.0
113.92216	0.5
115.03983	0.6
117.07058	0.9
119.08581	2.8
121.10152	1.9
123.10271	0.4
123.11773	0.7
127.03956	1.5
129.07062	0.7
131.08620	1.5
132.48302	0.4
133.10182	1.6
135.11736	1.5
137.13222	0.5
139.51537	0.5
143.08624	0.6
145.10162	0.8
147.11754	1.6
149.13300	0.8
159.11690	0.9
161.13307	1.0
163.14833	0.7
164.84264	0.4
173.13332	0.7
184.07443	1.6
185.04253	1.6
203.05249	0.6
243.08427	4.0
243.21474	0.5
245.69217	0.4
259.20673	0.6
301.09033	1.1
315.10480	0.6
317.20990	0.7
319.22897	0.7
345.28961	0.5
347.09851	0.5
373.11017	0.5
385.18695	0.5
405.13821	0.6
413.18195	1.2
465.21048	1.1
495.22363	0.9
497.31329	0.5
499.80777	0.5
535.28656	7.9
537.30402	8.1
537.38055	0.6
575.22876	0.7
591.70923	0.5
609.32422	1.2
643.25757	0.5
650.83490	0.5
659.36597	0.8
693.42096	0.6
831.52313	100.0
832.52490	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	834.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.5
61.02915	3.1
65.03928	2.0
67.05508	60.9
68.05814	1.1
69.03420	2.0
69.07067	14.4
71.01349	1.4
71.04989	3.0
71.08636	24.8
71.51063	1.0
73.02911	2.5
79.05499	17.1
81.03436	8.6
81.07061	30.2
82.85558	0.9
83.04971	4.5
83.08160	1.2
83.08624	17.2
84.08117	1.1
85.02911	12.7
85.06543	2.2
85.10190	12.0
87.04479	5.4
89.06006	1.9
91.05494	10.4
93.07046	8.4
95.04964	3.2
95.08614	26.7
97.02892	4.6
97.06543	4.1
97.10178	15.1
99.08082	2.2
103.07558	1.2
105.04481	1.4
105.07034	3.8
107.04966	2.9
107.08599	7.8
109.06521	2.3
109.10160	45.2
111.08100	2.1
117.07016	1.3
119.08611	7.7
121.10158	3.1
123.11747	4.6
125.09641	11.7
125.49535	1.1
127.03976	1.0
129.05458	1.9
129.06967	1.3
131.08592	1.5
133.10107	1.1
135.08047	1.3
135.11670	3.5
137.09605	1.5
143.10660	3.6
145.10144	2.6
147.11710	1.9
153.12724	3.5
155.10658	3.5
156.09328	0.9
163.11215	5.0
173.09521	1.7
173.11745	12.4
181.12308	1.7
191.10696	2.1
193.12234	1.1
199.13333	6.6
200.92630	0.9
209.11734	6.5
211.13255	1.6
222.17598	1.0
227.12825	7.4
229.14377	39.2
239.23682	5.8
257.13715	1.0
257.24677	1.6
267.15860	4.0
283.15417	2.8
301.13388	1.4
301.16473	15.8
313.27383	100.0
314.27716	3.4
341.26849	1.9
399.23761	14.1
437.36072	3.7
440.06738	1.2
455.37421	7.7
457.66669	1.0
467.37387	28.6
473.77127	1.2
505.38702	2.3
521.38513	1.2
539.39539	9.4
557.40234	2.2
637.36395	1.6
637.46735	21.3
834.54315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08245	0.5
61.02929	4.6
67.05504	6.1
69.03423	3.2
69.07070	2.1
69.40047	0.8
69.40456	3.2
71.01351	0.4
71.05004	0.8
71.08636	1.8
73.02918	3.5
79.05496	6.4
81.03438	2.4
81.07062	6.1
83.08642	1.2
85.02914	4.8
86.09722	1.0
91.03960	2.4
91.05485	5.1
92.50372	0.4
93.07053	6.4
95.04998	0.7
95.08611	4.4
97.02883	3.7
97.10159	0.5
98.98577	0.4
99.04466	1.0
99.08108	1.5
101.02377	1.6
101.41258	0.5
101.52357	0.4
105.07035	4.3
106.32211	0.5
107.04928	0.5
107.08607	3.3
109.02870	0.4
109.10184	1.3
112.34087	0.4
117.07047	1.3
119.08598	2.9
121.10190	1.7
123.08065	0.6
123.11741	0.5
125.00011	0.7
127.03918	1.2
129.07028	0.7
131.08582	1.5
133.10069	2.2
135.11743	1.3
143.08614	0.5
145.10156	1.3
147.11719	1.3
149.13264	1.0
151.11240	0.8
157.10165	1.0
159.11740	0.9
161.13307	1.1
171.11807	0.8
179.14378	1.7
184.07315	4.0
185.04257	0.9
185.07870	0.5
185.13399	0.7
212.84509	0.5
215.18135	0.5
243.08391	3.3
259.20816	0.5
286.35855	0.5
301.09058	1.4
313.27365	0.6
315.10648	0.8
315.19498	0.6
317.20901	3.7
397.18808	0.6
426.31342	0.5
495.22333	1.4
505.40402	0.6
533.27502	1.2
535.28815	14.7
536.29272	0.7
537.30469	0.7
607.30859	1.1
635.34753	0.5
653.87415	0.5
749.18762	0.5
829.50745	100.0
830.51056	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	831.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.0
67.05506	7.7
69.03448	3.9
69.07071	3.8
71.52108	1.0
73.02925	3.4
76.28121	0.7
79.05499	3.7
81.03426	3.0
81.07067	8.2
82.87706	0.6
83.04971	1.3
83.08632	1.7
85.02915	5.5
86.09741	0.9
91.03963	3.9
91.05487	4.4
91.89927	0.6
93.07050	3.6
95.08613	5.2
97.02905	4.6
97.06543	0.9
97.10174	1.2
99.04462	0.7
101.02413	2.2
103.03914	0.6
105.07060	2.1
107.08618	2.4
109.02885	1.0
109.10169	1.7
110.19309	0.6
115.03960	0.6
119.08620	1.9
121.10162	1.4
123.08087	0.6
123.11722	1.0
125.00021	1.1
125.09658	0.6
127.03898	0.7
130.08676	0.8
131.08662	0.7
131.68095	0.7
133.10197	1.1
147.11792	1.0
159.11707	0.8
167.54732	0.7
184.07379	3.3
219.08286	0.6
243.08403	3.2
258.08774	0.6
282.69574	0.7
297.67419	0.6
301.14130	0.6
313.27438	0.9
333.20514	2.3
353.24585	0.6
377.13766	0.7
439.19324	0.7
443.99802	0.6
453.21143	1.0
507.39838	0.6
521.30927	6.6
551.28278	4.9
745.43958	4.1
827.64673	0.7
831.52319	100.0
832.52649	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	829.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.6
67.01682	1.9
67.05508	8.8
69.07065	2.6
69.42267	1.7
71.01135	4.0
73.02926	2.1
79.05502	6.7
81.07053	6.6
81.67213	1.8
83.08617	2.5
91.05482	5.0
93.07054	4.8
95.08614	6.9
97.10152	1.8
105.07074	3.9
107.08613	2.0
109.10164	2.5
116.85797	1.6
116.86638	1.7
119.08614	2.7
121.10210	1.8
145.53185	2.0
165.86650	1.7
184.07385	5.7
185.37636	1.7
209.46835	1.9
215.19792	2.0
242.87076	1.8
317.28876	1.9
415.43451	2.0
649.52039	2.7
670.42804	2.2
743.42926	3.4
811.49133	2.7
829.48987	100.0
830.48846	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	5.3
67.05527	3.5
69.03425	2.5
69.07070	1.3
71.05013	0.6
73.02926	3.0
79.05500	5.5
81.03435	1.6
81.07055	3.4
83.08614	0.6
85.02918	4.5
91.03957	2.6
91.05495	5.2
93.07056	4.9
95.04996	1.0
95.08597	2.7
97.02896	4.0
99.04516	0.7
101.02408	1.8
105.07069	4.1
107.08602	3.4
109.02899	1.0
109.10168	1.1
115.03934	0.6
117.07032	1.1
119.08608	2.6
121.10175	1.8
127.03928	1.2
129.05476	0.7
129.06999	0.6
131.08611	1.6
133.10152	1.9
135.11696	0.6
143.08591	0.6
145.10168	1.1
147.11758	1.6
157.10103	0.5
159.11661	0.8
161.13277	0.7
173.13324	0.5
184.07346	0.7
185.04279	1.3
243.08409	3.5
259.20645	0.9
284.00623	0.5
301.09055	2.1
317.21039	1.9
323.84198	0.5
341.12274	0.6
383.16779	0.6
385.18356	0.6
404.31198	0.6
429.17273	0.6
465.20877	1.8
495.22455	0.6
525.22699	2.5
535.28760	14.9
536.29108	0.6
572.10211	0.5
607.31348	1.3
635.34045	0.6
635.55719	0.6
649.34900	0.6
829.50775	100.0
830.50989	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	828.583
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.3
65.03942	3.4
67.05508	93.6
69.03432	10.0
69.07073	35.0
71.04984	3.6
71.08626	11.8
71.16039	3.7
79.05495	48.2
81.03423	10.2
81.07057	100.0
83.04971	14.0
83.08620	23.2
84.08150	3.0
85.02910	5.8
85.06547	5.0
85.10171	1.9
86.09701	2.1
91.05481	30.6
93.07040	54.7
93.99975	1.6
95.04980	9.3
95.08612	62.1
97.02889	8.8
97.06518	7.9
97.10166	15.2
99.08109	10.2
103.05544	1.9
105.07039	24.2
107.04956	3.2
107.08596	34.1
109.02895	2.6
109.06510	4.1
109.10155	21.7
111.04475	1.8
111.08064	4.9
111.11718	2.0
113.09637	1.7
117.07034	8.6
119.08604	17.1
121.10133	18.9
123.08041	2.0
123.11700	7.1
125.00045	2.3
125.09641	9.6
127.03895	4.8
129.05498	4.6
129.06987	3.9
130.08646	4.9
131.08609	10.0
133.10153	13.0
135.08063	3.6
135.11736	8.7
137.09560	1.6
137.13271	4.4
141.10887	1.6
143.08533	4.4
145.10176	8.8
147.11685	8.5
149.09605	1.8
149.13306	14.0
151.11183	9.9
157.10124	2.7
159.11676	4.7
161.13257	4.5
163.11185	6.2
163.14709	2.9
171.11673	1.8
173.13277	3.1
175.11299	1.8
175.14828	4.7
177.12721	4.1
177.16470	2.4
183.11752	1.7
184.07289	8.4
185.13300	2.0
187.14890	1.9
189.11208	6.2
189.16389	2.2
195.13850	3.3
227.12759	21.1
228.31009	1.6
229.14401	2.1
245.22705	2.5
257.19104	2.4
259.20569	4.4
263.23804	3.8
269.17490	27.2
275.20145	8.7
277.21536	8.9
293.20996	1.8
313.27368	1.9
329.57101	1.7
335.25900	2.0
337.27371	88.2
338.27686	4.3
339.29062	12.3
349.23657	7.5
351.25345	14.7
413.21634	3.0
491.37442	3.1
507.36621	3.6
531.40497	94.0
532.40625	5.5
613.48236	33.7
614.48376	1.8
631.49072	3.3
648.50391	2.5
675.44678	2.9
777.59033	1.9
828.47864	2.3
829.50146	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	828.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06350	0.2
58.06615	0.4
60.08162	6.2
60.91142	0.1
64.43114	0.1
67.05499	0.6
69.07074	0.3
71.07371	3.8
71.50738	0.2
72.08155	0.6
76.07362	0.1
79.05499	0.4
81.03403	0.2
81.07028	0.3
83.64075	0.1
86.09705	31.7
87.10064	0.4
91.05475	0.3
93.07040	0.3
95.08629	0.2
98.97837	0.1
98.98458	4.0
104.10738	2.8
109.10135	0.2
119.08580	0.3
125.00004	22.3
133.66211	0.2
143.01033	0.3
166.02467	0.2
184.07336	100.0
185.07674	0.9
193.37640	0.2
206.88702	0.2
220.86835	0.2
245.64700	0.2
275.92868	0.2
301.86359	0.2
427.91846	0.2
439.33716	0.2
576.16132	0.2
654.94446	0.2
694.43359	0.2
722.44312	1.3
724.45020	0.4
776.52472	1.3
792.51062	0.4
810.51398	0.6
829.49188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74507	2.4
61.02924	5.7
65.03941	4.4
67.05508	93.6
69.03426	10.8
69.07072	60.4
69.19567	9.4
69.19991	12.6
71.04989	7.4
71.08640	12.5
73.02908	2.0
79.05495	54.6
81.03425	15.3
81.07058	100.0
81.07533	5.3
83.04974	16.6
83.08620	42.7
85.02904	8.0
85.06534	5.2
85.10171	6.9
86.09703	3.2
91.05486	47.3
93.07047	61.4
95.04999	10.8
95.08609	67.5
97.02913	6.1
97.06517	16.5
97.10166	24.6
98.21585	4.1
99.04462	2.6
99.08087	3.8
105.07029	36.7
106.77719	2.5
107.04957	12.2
107.08595	43.0
109.02890	4.1
109.06529	6.8
109.10150	24.6
111.08074	9.1
111.11743	5.3
113.09708	2.4
115.05457	4.6
117.07013	15.2
119.08575	23.4
121.06518	5.7
121.10142	28.6
123.08047	3.8
123.11722	5.3
125.00008	2.5
125.09644	3.2
127.03941	4.7
129.06955	3.0
131.08565	18.9
132.33398	2.3
133.10139	21.3
135.08064	4.8
135.11700	26.2
137.09595	3.9
143.08536	4.0
145.10123	12.8
147.11685	9.6
149.09636	14.9
149.13258	18.4
151.11139	3.3
155.08592	3.0
157.10110	3.4
159.11674	19.4
161.13242	4.0
163.11201	8.4
173.04468	3.4
173.13290	6.0
177.12761	5.8
183.11412	2.7
184.07365	17.7
186.01662	2.4
195.13820	8.4
197.13281	3.3
202.17937	2.4
232.87186	2.2
239.17926	4.1
247.20648	3.6
255.15916	20.1
257.19006	10.4
269.17487	48.2
275.20081	32.7
291.19476	5.1
309.20273	3.0
313.27417	29.1
339.28946	88.3
340.29282	4.2
349.23776	27.5
367.24850	6.8
413.21735	3.3
493.39005	4.4
507.40573	23.9
519.40527	21.1
533.42053	79.8
534.42352	5.6
587.46539	4.7
605.47040	3.4
613.48297	25.0
631.48749	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	827.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	5.2
67.05509	12.2
68.05834	0.8
69.03427	4.4
69.07076	5.6
70.63966	0.9
70.64321	1.6
71.05013	0.9
71.08627	0.7
73.02920	4.1
79.05504	8.3
80.05044	0.8
80.05824	0.7
81.03439	2.0
81.07063	9.8
82.07412	1.2
83.04998	1.1
83.08629	2.5
85.02903	4.2
91.03978	2.3
91.05486	5.2
93.07047	5.9
95.04974	1.2
95.08617	6.3
97.02910	4.8
97.06532	1.1
97.10180	3.2
99.04454	0.8
101.02387	1.3
102.63132	0.5
105.07038	3.8
107.08617	5.2
108.08900	0.7
109.02913	1.3
109.06584	1.1
109.10139	3.3
111.08084	1.5
115.05500	0.6
117.07065	1.3
119.08623	2.3
121.10184	2.5
123.11732	0.9
125.09661	1.9
127.03955	1.3
128.59035	0.6
129.05531	0.7
129.07016	0.7
131.08615	1.5
133.10158	2.0
135.08070	0.9
135.11739	1.3
145.10185	1.5
147.11739	1.3
148.78101	0.7
149.09660	1.1
149.13326	1.3
151.11189	0.8
163.11172	0.7
184.07442	1.3
189.11263	1.1
193.29674	0.6
208.09456	0.6
223.13408	1.2
227.12849	1.9
243.08456	2.4
275.20163	1.9
291.19669	1.3
331.19180	1.4
335.25882	1.8
336.26221	0.9
337.27441	2.4
338.27798	2.4
349.23761	1.1
350.24225	0.9
508.36719	0.8
519.29504	5.1
549.26660	5.4
611.46747	1.2
612.47437	3.3
646.51050	0.9
647.51056	3.1
827.49133	100.0
828.49420	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86601	0.5
59.05006	0.4
61.02927	4.7
65.03955	0.9
67.05506	14.0
67.67400	0.5
68.05838	1.1
69.03440	4.0
69.07073	5.4
70.07404	0.7
71.08607	0.7
71.51939	0.9
73.02924	4.1
79.05495	9.6
80.05826	0.9
81.03418	2.3
81.07061	12.9
82.07393	1.4
83.04989	1.6
83.08640	3.0
85.02906	4.8
87.04478	0.6
91.03970	3.0
91.05484	6.5
92.05827	1.1
93.07048	7.1
94.07375	0.6
94.47222	0.5
95.04988	1.5
95.08614	9.1
96.08937	1.6
97.02889	4.7
97.06576	1.0
97.10174	4.2
99.04505	0.9
99.08157	0.5
101.02394	1.8
105.04527	0.6
105.07050	5.0
106.07352	0.6
107.04964	1.4
107.08606	7.0
107.79784	0.5
108.08924	1.4
109.02914	1.0
109.06493	1.0
109.10168	2.4
111.08100	1.0
117.07047	1.8
119.08591	4.0
121.10155	2.2
123.08060	0.6
123.11733	1.6
125.09652	3.0
125.47147	0.5
127.03936	1.3
129.06984	0.5
131.08577	1.5
132.08896	0.8
133.10138	2.6
135.08075	1.0
135.11710	1.8
143.08629	0.5
145.10135	2.0
147.11728	1.2
149.09634	1.7
149.13257	0.7
151.11148	0.5
157.10251	0.5
157.37967	0.5
159.11726	1.3
161.13358	0.6
163.14923	0.6
171.11711	0.6
184.07385	1.9
189.11250	1.5
194.88205	0.6
201.62775	0.5
213.64815	0.5
223.13412	0.6
227.12781	4.0
228.12994	0.6
239.37151	0.5
243.08421	3.2
257.19116	1.1
261.22372	0.7
275.19888	2.9
276.20520	1.5
291.19711	0.8
305.62204	0.5
316.22717	0.6
318.79871	0.7
331.18936	1.8
335.25970	1.4
336.26312	1.2
337.27426	4.0
338.27814	3.1
349.23810	2.7
350.24063	2.5
508.37415	1.4
519.29224	6.2
520.29633	0.6
549.26520	3.1
611.46649	1.9
612.47101	6.4
630.48248	0.8
646.50488	1.2
647.50842	2.1
665.51849	1.0
827.49127	100.0
828.49408	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.3
66.17322	0.4
67.05504	5.2
69.03424	1.9
69.07072	2.6
69.82275	2.2
71.04971	0.7
73.02917	3.0
77.93871	0.4
79.05499	3.7
81.03432	1.2
81.07065	4.5
83.04998	0.5
83.08639	0.5
84.45297	0.4
85.02903	3.4
89.65287	0.4
91.03976	2.4
91.05482	4.2
93.07043	4.9
95.01302	0.5
95.04974	0.4
95.08597	2.6
97.02908	3.3
97.06564	0.6
98.20813	0.5
99.04484	0.7
99.31497	0.5
101.02384	1.4
105.07038	4.6
107.04981	0.7
107.08562	2.0
109.02858	0.5
109.10177	2.1
111.08121	0.4
117.07025	0.8
119.08587	3.0
121.10159	1.3
123.11762	0.6
125.00022	0.6
127.03971	0.9
129.00888	0.4
129.05518	0.5
131.08606	1.4
133.10165	2.7
135.11699	1.1
143.08578	0.4
145.10159	0.9
147.11705	1.7
149.09642	0.7
149.13284	0.9
159.11719	0.8
161.13200	0.6
179.14430	0.5
184.07391	1.5
185.04291	0.8
229.14452	1.1
230.14722	0.5
243.08354	3.7
274.97247	0.4
301.09000	1.6
313.27457	0.9
314.27881	0.8
315.10513	0.9
315.19373	4.0
371.22086	0.6
373.11172	0.7
437.21841	0.5
465.21228	0.8
468.37872	0.8
495.21960	1.1
533.27252	9.0
535.28815	6.3
605.29437	1.4
635.05176	0.5
827.49146	100.0
828.49518	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	827.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.1
65.03947	0.5
67.05510	9.9
68.05827	0.5
69.03435	3.9
69.07079	3.8
69.70196	1.5
71.04987	0.5
71.08646	0.6
73.02928	3.9
76.84878	0.4
79.05499	7.0
80.05022	0.7
80.05827	0.5
81.03413	2.1
81.07064	8.3
82.07394	0.5
83.05003	0.8
83.08631	2.6
85.02912	5.0
86.09734	0.4
91.03970	3.0
91.05479	4.4
93.07050	6.1
94.07391	0.7
95.05000	0.6
95.08617	5.3
96.08914	0.4
97.02908	5.2
97.10165	2.9
98.21584	0.7
99.04456	0.7
101.02399	1.6
105.07039	3.1
107.08605	5.1
108.08938	0.7
109.02905	0.5
109.10162	2.4
111.08112	0.7
117.07051	0.7
119.08581	2.5
121.06505	0.4
121.10161	2.3
125.09629	2.8
126.09956	0.4
127.03948	1.2
129.07040	0.6
131.08600	1.5
133.10179	1.3
134.10522	0.4
135.08105	0.5
135.11719	1.0
145.10121	1.7
147.11714	1.5
149.09656	0.6
149.13367	0.5
159.11697	0.7
161.13315	0.4
163.11230	0.5
170.58458	0.4
171.11642	0.4
184.07397	0.6
185.04369	0.5
189.11279	1.2
202.30254	0.4
223.13354	0.6
227.12814	3.8
228.13206	1.3
243.08484	2.3
257.19000	0.7
270.32385	0.4
275.19952	1.7
276.20575	1.1
291.19656	1.2
325.40042	0.4
331.18924	1.3
335.25961	1.0
337.27298	2.3
338.27847	1.4
349.23956	1.4
350.24252	1.5
508.36981	0.4
519.29315	9.3
520.29883	0.5
549.26794	2.7
611.47131	0.9
612.46985	3.4
630.47845	0.5
646.50507	0.6
646.89423	0.4
647.50964	1.3
665.51221	1.0
827.49164	100.0
828.49603	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	826.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	2.5
61.02932	13.1
65.03933	1.7
67.05511	75.2
69.03417	2.3
69.07069	8.3
69.64833	0.7
71.05009	3.6
71.08640	17.4
71.51709	1.5
73.02934	3.4
79.05505	7.5
81.03410	1.1
81.07064	22.9
83.08621	11.5
85.02911	12.6
85.06535	2.9
85.10191	10.3
86.09697	2.5
91.03963	7.1
91.05485	9.7
93.07059	9.3
95.04955	0.9
95.08617	20.6
97.02903	8.5
97.06540	1.3
97.10186	4.7
99.04451	1.0
99.08030	0.7
100.93472	0.7
103.07594	0.8
103.08423	1.0
105.07042	5.7
107.08614	5.9
109.10165	75.6
111.08091	3.3
113.03394	0.7
113.91078	0.7
117.07020	2.1
119.08582	8.2
121.10144	2.1
123.11702	2.8
124.99970	1.2
127.03939	4.1
129.06995	2.0
131.08551	4.2
133.10124	2.6
135.11736	1.3
137.09608	3.4
137.13226	1.4
143.08566	1.6
145.04988	3.7
145.10121	2.8
147.11671	1.7
155.08530	1.2
155.10693	6.8
157.10168	2.1
159.11664	1.7
161.13258	1.5
163.06052	3.5
169.10240	1.0
171.11644	2.0
173.11786	16.3
173.13219	1.4
175.14912	1.1
181.10045	0.7
183.11667	0.9
184.07361	7.7
185.13300	1.3
187.15025	0.8
209.13284	0.8
229.14368	100.0
230.14700	1.9
239.23708	1.9
257.24686	2.0
313.27383	72.3
314.27679	1.6
335.25571	0.8
373.18427	0.8
441.09918	0.9
467.37378	59.0
468.37964	3.8
519.42181	1.2
533.26855	1.3
593.45587	1.0
611.46735	11.0
826.47400	4.1
827.49432	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	827.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55235	0.7
61.02929	4.0
64.15820	0.6
67.05508	4.9
69.03420	3.8
69.07067	2.6
71.04992	2.2
71.51221	0.8
71.51630	0.8
73.02924	2.9
79.05493	5.2
81.03419	5.2
81.07056	5.8
83.04986	1.5
83.08624	1.7
85.02911	5.9
91.03968	3.1
91.05492	6.6
93.07067	4.7
95.04995	2.0
95.08624	2.5
97.02897	4.4
97.06557	2.4
97.10181	1.0
99.04501	0.7
101.02376	1.8
105.07050	3.6
107.08607	2.3
109.02911	1.5
109.06499	1.0
109.10166	2.7
111.08100	1.3
117.07017	0.9
119.08611	3.2
121.06496	1.6
121.10174	2.2
123.04436	1.3
123.08052	1.2
127.03942	1.7
129.07065	1.9
131.08621	2.4
133.10161	2.4
133.44669	0.7
135.11732	1.1
139.03952	1.1
147.11711	1.9
149.09686	0.9
157.10109	1.4
163.11180	1.2
175.11325	0.9
184.07350	0.9
193.12273	1.6
203.05211	1.0
243.08372	3.7
283.15317	3.0
319.19131	0.8
326.23215	0.7
341.61981	0.8
349.20056	2.5
411.45380	0.7
434.08972	0.7
453.21036	1.1
501.23215	11.5
567.27661	5.3
657.49591	0.7
827.43970	100.0
828.44183	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	826.516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.2
61.02652	0.7
61.02931	9.9
65.03944	0.8
67.05510	59.8
68.05825	0.6
69.03414	2.0
69.07076	4.7
71.05003	2.8
71.08642	13.3
73.02926	3.1
78.37638	0.5
79.05476	1.6
81.03429	0.9
81.07063	13.7
83.04974	0.6
83.08626	9.7
85.02441	0.7
85.02908	10.1
85.06538	1.7
85.10190	9.1
86.09710	1.3
89.06018	0.7
91.03969	7.7
91.05490	3.9
93.07034	3.0
95.08618	14.3
97.02892	5.4
97.10178	2.8
99.11738	0.8
105.07023	0.9
107.08585	1.8
109.02899	0.6
109.10164	62.2
110.10435	0.6
111.08089	1.8
119.08576	4.6
123.11673	2.5
127.03903	2.2
135.11623	0.7
137.09602	3.2
137.13272	0.9
145.04996	3.1
155.10669	7.5
163.06035	4.2
173.11754	13.5
184.07338	3.5
229.14371	100.0
230.14720	2.4
239.23657	1.8
257.24777	1.5
262.51938	0.6
313.27390	79.0
314.27618	1.9
467.37378	66.9
468.37540	2.0
494.79083	0.5
573.34137	0.6
611.46588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09691	0.9
59.86599	0.9
61.02920	3.1
65.03936	4.0
67.05510	100.0
69.03434	8.8
69.07073	42.2
70.07020	3.0
70.07436	1.4
71.04996	6.4
71.08646	5.1
73.02894	1.4
77.42617	1.2
79.05499	57.4
81.03424	10.3
81.07062	93.7
83.04987	11.4
83.08626	21.6
85.02918	6.3
85.06543	5.2
85.10228	1.6
86.09746	1.4
91.03965	1.3
91.04900	1.7
91.05486	45.4
93.07050	55.1
94.07418	1.4
95.04976	8.7
95.08613	58.6
97.02892	5.5
97.06538	13.4
97.10172	15.8
98.21556	0.9
99.04457	1.4
99.08103	3.5
103.05486	0.9
105.04477	2.0
105.07037	37.8
107.04967	6.5
107.08601	35.4
109.02879	1.8
109.06524	4.2
109.09464	2.0
109.10160	24.9
111.04488	1.2
111.08099	5.8
111.11768	1.4
113.06059	1.1
115.05453	1.7
117.07024	14.5
119.04925	1.0
119.08595	25.7
121.06521	3.6
121.10148	18.4
123.08080	4.7
123.11719	11.4
125.00053	1.7
125.09625	9.7
127.03928	3.7
129.05472	2.3
129.07022	3.3
130.07755	1.5
131.08586	15.8
133.10138	21.4
135.08060	3.9
135.11696	15.7
137.09644	1.7
137.13245	2.5
139.11163	1.1
141.07037	1.9
143.08498	5.4
145.04930	1.2
145.10135	15.4
147.08087	1.9
147.11688	10.7
149.09647	9.0
149.13251	9.7
151.11194	2.0
155.08548	2.2
157.10129	4.3
159.11702	10.7
160.71277	1.0
161.09636	2.0
161.13249	6.6
163.11244	4.7
163.14848	2.7
165.12791	2.2
165.16492	1.4
169.10147	2.8
171.10262	1.2
171.11710	4.0
173.04510	1.3
173.11807	1.7
173.13251	5.4
175.14838	5.1
177.12793	3.7
179.14325	2.2
181.12253	1.4
183.11722	2.2
184.07381	5.9
189.11255	3.4
195.13797	4.3
195.83499	1.0
197.13300	1.3
199.14851	2.2
201.16296	1.2
213.14772	1.3
215.17961	1.3
220.17052	1.3
227.12799	12.2
229.14359	3.1
229.19516	3.1
239.18005	3.6
245.22704	2.9
247.20569	1.2
248.71056	1.0
255.15918	6.8
257.19040	11.0
261.22083	2.2
263.20755	1.1
263.23724	4.7
267.16113	1.3
269.17490	19.5
274.21735	2.4
275.20084	26.2
284.17444	0.9
291.19492	1.7
293.21100	3.0
313.27646	1.5
316.22601	1.4
331.22641	2.0
335.25809	3.0
337.27393	96.1
338.27686	4.0
349.23764	25.9
367.24841	2.7
390.26157	1.8
491.37347	2.2
507.37491	1.6
517.31635	1.9
517.38879	21.3
531.01886	1.2
531.40497	60.5
532.40674	2.7
547.39941	1.0
571.43237	3.0
611.46777	31.0
612.46906	2.7
629.48145	7.5
646.50311	8.3
664.51123	3.1
675.44672	2.2
808.55402	2.1
826.55383	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	2.3
60.08143	1.8
61.02925	1.8
65.03927	2.8
67.05506	67.1
69.03427	3.8
69.07072	21.8
71.04969	4.3
71.51516	2.1
71.51913	2.6
72.54035	1.6
79.05496	32.3
80.10484	1.8
81.03448	4.1
81.06590	3.4
81.07057	65.6
83.04973	11.0
83.08614	9.8
85.02936	2.1
85.06540	3.8
85.07678	4.5
85.10165	1.9
86.09709	9.6
91.05480	45.9
93.07049	29.8
95.04961	7.5
95.08604	33.0
97.06532	7.6
97.10149	2.9
98.76185	2.0
99.08102	2.3
105.07035	32.3
107.04962	4.7
107.08588	30.7
109.06520	5.6
109.10155	44.7
111.08076	3.2
113.05980	2.9
117.07025	6.6
119.08603	13.4
121.06484	5.6
121.10135	11.2
123.07999	2.7
123.11707	12.6
125.00011	5.1
131.08536	8.2
133.06500	2.7
133.10135	54.0
135.08054	4.9
135.11682	4.9
143.08568	3.5
145.10124	7.9
147.11682	6.3
149.09613	4.0
149.13301	3.7
151.11188	22.3
159.07986	2.7
159.11668	3.9
161.09634	6.2
161.13202	3.9
167.08281	1.6
169.12273	4.6
175.14719	2.3
177.09317	2.0
183.14751	1.8
184.07343	25.4
185.13120	2.3
189.43694	1.8
215.12717	2.1
253.14351	100.0
254.14656	3.9
256.21503	2.1
263.20206	4.4
273.18491	18.4
291.19470	20.3
292.01227	2.1
309.20621	2.0
337.27368	50.1
347.22064	5.8
365.23206	23.9
365.27097	2.1
454.28577	1.8
531.36566	2.1
533.38293	17.7
609.45740	3.9
613.46082	2.0
627.46216	45.7
653.58551	2.3
824.49677	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	825.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.3
64.94163	0.4
65.03926	0.7
67.05508	10.8
69.03437	2.7
69.07065	5.0
69.30720	3.9
71.05001	0.6
71.08636	2.0
73.02927	2.7
79.05495	4.7
81.03424	2.7
81.07056	8.0
83.04989	1.0
83.08631	1.6
85.02910	4.0
85.06564	0.6
85.10183	0.9
86.09721	1.3
86.80578	0.4
89.06061	0.7
91.03970	2.1
91.05480	7.0
93.07046	5.5
95.01358	1.0
95.04979	1.5
95.08611	5.6
97.02876	3.2
97.06545	1.6
97.10183	0.6
99.04491	0.7
101.02357	2.1
105.07041	6.5
106.72444	0.4
107.04288	0.4
107.04971	1.9
107.08617	2.7
109.02885	0.7
109.06532	0.6
109.10155	7.2
109.10841	0.7
109.90940	0.4
111.08101	0.9
117.07037	1.9
117.88261	0.4
118.47272	0.4
119.08581	4.2
121.10182	1.1
123.11730	0.6
125.00069	0.7
127.03938	1.1
129.07089	0.5
131.08592	2.8
132.58408	0.4
133.08644	0.5
133.10141	3.5
134.10464	0.5
135.11717	1.1
137.09613	0.7
145.05019	0.7
145.06456	0.4
145.10097	2.2
147.11705	1.4
149.09637	1.3
149.13254	1.0
157.10077	0.5
159.11787	1.1
161.13251	0.9
163.11226	1.2
173.11778	1.4
173.13214	0.6
177.12849	0.6
179.14381	1.2
183.11670	0.5
184.07367	3.2
187.11209	0.7
196.22247	0.5
229.14354	7.6
243.08469	3.4
275.20132	1.7
285.18375	0.6
313.27368	6.2
315.19324	5.1
367.35571	2.8
371.22055	3.4
407.26349	0.4
467.37469	6.7
533.27246	19.4
534.27649	0.7
645.49060	0.9
749.36182	0.5
807.53644	0.5
825.47577	100.0
826.48004	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.3
65.03936	4.4
67.05507	86.5
69.03426	7.1
69.07069	26.6
69.28207	3.0
69.28607	8.1
71.04984	5.0
71.05341	1.2
73.02921	2.5
73.13645	1.2
77.03899	2.9
79.05495	75.1
80.05851	1.4
81.03422	9.3
81.07060	100.0
83.04988	10.5
83.08625	10.7
85.02904	9.0
85.06547	3.9
91.03966	3.1
91.05483	64.2
93.07047	76.5
95.04953	9.1
95.08611	58.5
97.02883	9.9
97.06546	8.5
97.10173	3.7
98.09691	2.5
99.08099	5.4
99.87395	1.5
103.05486	4.4
105.04536	3.2
105.07032	50.7
107.04984	4.2
107.08598	42.1
108.34859	1.2
109.02895	2.3
109.06523	5.6
109.10153	19.8
111.04353	1.3
111.08083	4.8
111.59354	1.4
113.09606	1.6
115.05467	2.0
117.07027	18.3
117.82225	1.2
119.08586	39.9
121.06525	3.9
121.10149	30.7
123.08086	5.4
123.11720	7.0
125.09638	2.4
127.03914	3.4
128.06238	1.9
129.05486	4.7
129.07011	9.5
131.08569	26.3
133.06514	1.5
133.10132	34.7
135.08061	3.1
135.11708	19.3
137.09641	2.5
137.13271	1.7
138.09358	1.1
139.11165	2.1
141.06987	1.4
143.08578	6.6
144.09276	1.3
145.04982	1.6
145.10117	18.7
146.10500	1.1
147.04546	1.2
147.08008	2.0
147.11696	23.8
149.09612	5.0
149.13266	16.1
151.11244	1.6
155.08546	2.4
157.10107	5.9
159.11691	19.0
161.09583	2.1
161.13268	12.6
163.11197	4.1
163.14883	3.6
171.11655	8.6
173.13295	10.3
175.14848	5.4
177.12706	3.2
179.14282	2.4
183.04156	1.4
183.11728	2.4
185.13283	4.7
187.11339	1.4
187.14857	5.2
195.13824	4.9
197.13187	3.0
199.14839	4.2
201.16403	2.3
205.12375	1.3
207.13622	1.5
213.16402	1.5
215.17851	1.3
217.15854	1.3
229.19524	1.9
231.21213	2.3
239.18050	2.4
241.19550	10.6
243.21054	2.4
247.20595	1.9
257.19080	6.9
259.20593	22.7
261.22180	9.6
263.24127	1.5
269.17484	11.6
275.20038	11.0
275.33878	1.3
277.21759	1.5
283.34079	1.3
293.17847	1.5
293.21207	3.7
315.23065	1.8
317.24890	1.7
331.22739	1.3
333.24249	17.4
335.25790	78.9
336.26093	2.8
337.27344	2.9
340.54990	1.2
349.23834	5.7
367.25000	1.9
398.60333	1.3
431.72733	1.8
439.41754	1.5
470.57220	1.6
529.38849	30.3
530.39301	1.8
541.38556	2.9
593.45630	5.2
609.45721	2.5
609.86023	1.4
611.46619	18.7
627.45844	3.7
777.04938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.8
65.03937	4.8
67.05507	93.2
69.03423	4.6
69.07071	29.5
70.08194	3.0
70.08586	3.3
71.04990	6.7
79.05499	50.6
81.03429	3.8
81.07059	100.0
83.04980	11.9
83.08613	16.3
85.02892	2.7
85.06532	6.0
86.09712	3.4
87.43410	1.5
91.05483	49.8
93.07051	48.4
95.04967	11.4
95.08613	57.5
97.02897	2.6
97.06528	9.2
97.10201	7.2
98.35854	1.5
105.07033	46.6
107.04952	7.1
107.08597	37.1
109.06518	6.1
109.10159	52.5
111.04455	2.3
111.08097	5.4
113.06097	1.9
117.07027	7.4
119.08586	17.9
121.06522	5.8
121.10141	12.5
123.08091	3.9
123.11701	11.7
125.09652	3.6
128.06180	2.5
129.07011	4.4
131.08592	13.6
133.06503	5.3
133.10132	55.1
135.08067	8.0
135.11693	9.4
137.09608	2.4
137.13261	2.3
143.08557	4.2
145.06488	1.7
145.10121	7.7
147.08034	6.2
147.11681	6.3
149.09604	6.5
149.13271	3.8
151.11195	21.3
151.14841	1.6
153.12798	1.7
157.10138	4.5
159.08046	3.1
159.11690	3.1
161.09636	4.9
161.13269	5.3
163.11191	1.9
169.10144	2.3
169.12234	3.7
171.11679	4.3
173.13254	1.8
175.11198	4.6
177.09106	2.7
179.14323	2.3
182.52377	1.4
183.11624	1.9
184.07350	9.8
185.13368	2.6
188.97507	1.4
215.12753	3.0
223.13268	1.7
227.12906	2.2
243.21303	2.0
245.19054	4.2
251.12822	2.6
253.14346	58.5
259.20480	1.8
261.22205	2.7
263.20093	3.1
263.23727	5.5
271.15244	2.2
273.18503	29.3
275.20038	3.2
279.57010	1.6
291.19568	29.2
309.20538	3.7
335.25821	6.2
337.27386	74.0
347.22229	9.1
365.23209	30.6
405.30560	1.6
515.37439	2.3
529.38800	2.3
531.36786	4.6
533.38403	24.0
547.39282	2.7
574.07440	1.9
609.45239	7.7
627.46234	73.4
628.46533	4.7
756.33545	1.8
824.50446	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65914	3.8
67.05503	43.8
69.07059	17.6
70.17429	17.7
79.05503	48.7
81.07059	43.8
83.08616	10.1
91.05487	58.8
93.07053	48.7
95.08624	49.5
99.08133	4.1
105.07040	43.8
107.08600	24.5
109.06515	5.1
109.10143	15.9
110.38213	3.7
115.05419	5.8
117.07012	21.3
119.08575	35.0
121.10151	23.7
123.11698	5.3
124.15672	5.2
129.07011	22.5
131.08578	33.4
133.10138	25.8
135.11685	12.0
141.06978	5.6
143.08556	16.6
145.10153	23.7
147.11711	13.2
149.13161	4.9
155.08528	11.3
157.10184	20.7
159.11649	22.9
161.13257	9.7
169.10025	8.6
171.11653	14.2
173.13286	12.6
175.14769	4.5
181.10051	5.9
183.11726	18.7
185.13234	13.8
187.14891	4.8
195.11726	7.0
197.13327	9.6
199.14891	8.7
209.13365	6.4
211.14813	6.6
213.16435	7.5
227.17999	4.9
237.16562	4.5
239.17957	5.1
257.19046	6.6
259.20477	6.8
337.25427	5.8
351.26492	5.7
371.04855	5.1
409.54535	3.9
417.17920	4.1
463.54440	4.6
517.40265	14.2
539.37488	5.1
591.43469	9.7
609.45111	100.0
610.45044	11.0
770.82629	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	1.5
61.02917	1.7
65.03937	4.9
66.96795	1.4
67.05508	66.9
69.03419	7.4
69.07070	20.3
69.82029	4.9
69.82433	2.8
71.04992	4.4
73.02959	2.4
79.05495	68.6
81.03413	4.8
81.07059	65.9
83.04974	5.5
83.08617	27.6
85.02931	2.1
85.06539	2.3
87.92112	1.3
91.04910	2.0
91.05482	44.2
93.07047	53.4
95.04951	6.7
95.08607	36.0
97.02884	1.7
97.06526	4.0
97.10175	44.9
98.21492	2.4
98.95198	1.5
105.04486	2.2
105.07034	34.1
107.04947	5.0
107.08596	74.2
109.02871	3.6
109.06552	3.2
109.10166	23.2
111.08118	3.0
117.07029	13.2
119.08591	19.0
121.06550	1.6
121.10151	22.2
123.08027	2.1
123.11682	7.9
125.09634	33.9
127.03908	2.3
129.06979	3.7
131.08562	17.4
133.10139	21.1
135.08055	5.1
135.11702	16.6
136.75090	1.3
137.09586	2.2
143.08577	4.8
143.10616	1.7
145.10126	21.5
147.11682	13.4
149.09610	8.1
149.13275	8.3
153.09125	3.6
153.12764	1.5
155.08575	2.1
157.10133	3.4
159.11691	12.2
161.13278	5.6
163.11079	1.5
163.14816	2.6
169.10141	1.8
171.10182	7.3
171.11703	6.1
173.13229	8.7
174.23051	1.3
175.14894	2.3
183.11656	2.3
185.13272	3.0
187.14848	2.9
189.11238	17.9
197.13252	1.6
199.14813	2.1
201.16454	1.7
227.12779	55.2
229.19586	2.1
239.18088	2.2
241.19586	1.9
243.15791	1.6
243.21100	4.4
245.13838	5.8
257.19080	7.5
259.20563	5.4
261.22177	15.8
275.20059	43.4
275.41559	1.5
277.21667	2.1
293.21051	1.3
317.24765	2.6
331.22729	5.8
333.24323	3.3
335.25818	100.0
336.26337	3.4
349.23737	41.7
349.28079	1.7
351.25180	1.9
352.46637	1.4
357.55750	1.5
367.24762	1.5
387.98160	1.4
389.18076	5.5
438.67691	1.5
487.34332	3.3
505.35168	28.9
535.41254	2.9
538.05737	1.5
609.45148	93.3
610.44794	5.3
622.44562	1.5
627.46161	13.2
649.39026	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44731	1.4
59.85895	1.3
61.02915	3.4
65.03919	5.2
67.05506	83.3
69.03439	7.9
69.06729	2.1
69.07069	31.7
69.33098	1.3
69.94374	3.6
69.94770	2.5
71.04980	6.2
73.02909	1.5
74.92270	1.4
76.88844	1.3
79.05020	1.7
79.05491	67.9
81.03422	11.2
81.07056	100.0
83.04999	11.3
83.08609	11.8
85.02889	5.2
85.06519	5.1
91.05483	53.2
93.07043	76.7
95.04962	10.1
95.08609	49.4
97.02892	4.8
97.06532	10.9
97.10159	4.2
99.04453	2.4
99.08079	2.2
103.05456	1.8
105.04511	2.8
105.07028	33.4
107.04936	6.3
107.08591	41.5
109.02873	2.0
109.06511	4.8
109.10160	21.3
111.08059	5.4
115.05444	2.8
117.07027	14.7
119.08578	27.8
121.06520	2.1
121.10143	26.7
123.08092	4.4
123.11712	8.4
125.09650	3.2
127.03922	2.5
129.05502	2.2
129.07007	6.4
130.07793	2.1
131.08568	24.5
133.10127	22.0
135.08057	3.3
135.11711	19.8
137.09561	3.1
143.08531	3.2
145.10112	17.8
147.11702	13.4
149.09633	8.5
149.13242	14.6
151.11154	2.3
155.08531	2.7
157.10104	5.5
159.11687	15.4
161.09657	1.5
161.13245	6.5
163.11162	5.9
163.14790	2.2
165.12717	1.9
167.55032	1.3
169.10107	2.7
171.11671	2.6
173.11925	1.6
173.13268	7.1
175.14832	1.9
177.12772	3.8
179.14337	2.6
183.11737	2.3
187.11224	2.1
187.14774	3.8
195.13815	6.1
197.13260	2.4
199.14803	2.0
227.12660	3.2
228.29369	1.7
233.15375	1.9
239.17889	4.2
243.21140	2.3
255.15884	7.3
257.18954	5.0
259.20728	1.9
261.22150	11.7
269.17435	24.6
275.20038	22.1
293.21097	2.9
317.24628	2.8
331.22672	1.7
333.24228	2.5
335.25809	84.5
336.26303	3.3
349.23752	15.6
367.24646	2.9
413.21603	2.0
515.37311	15.7
529.38910	61.7
530.39386	1.8
569.42035	3.2
609.45190	23.0
627.45886	4.6
649.40155	1.5
673.42010	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	824.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96463	1.9
65.03935	5.3
65.62688	2.1
67.05510	86.2
69.03433	4.8
69.07074	20.8
70.06590	2.2
71.04983	8.9
71.09155	2.0
71.51465	2.8
73.02911	2.2
79.05495	50.1
81.03424	86.7
81.07061	64.1
83.04984	12.2
83.08627	31.0
84.08142	2.0
85.02894	6.9
85.06545	4.4
91.05485	52.0
93.07048	41.6
95.04973	30.1
95.08051	3.4
95.08614	34.2
97.02886	4.7
97.06531	11.2
97.10172	19.6
99.04475	3.5
99.08112	4.4
105.07037	41.6
107.04957	13.1
107.08609	34.0
109.06528	14.7
109.10159	50.0
110.20113	2.8
111.08074	11.6
117.07035	16.3
119.04913	2.5
119.08592	34.3
121.06512	9.6
121.10171	18.3
123.08041	5.8
123.11740	4.4
125.09644	15.7
125.92635	2.0
129.07019	15.5
131.08594	24.2
133.06494	7.5
133.10133	25.5
135.08057	7.0
135.11678	11.0
137.09616	6.9
141.06934	3.5
142.07816	2.8
143.08575	8.1
145.06458	4.3
145.10127	16.5
147.08105	5.8
147.11720	21.9
149.09624	15.0
149.13280	5.1
151.11189	4.9
151.33765	2.5
152.05807	2.8
153.09149	3.0
155.08514	5.0
155.10651	6.4
157.10123	17.7
159.07997	2.2
159.11720	9.2
161.09639	4.0
163.11205	8.4
165.12750	4.7
167.07108	3.1
169.10114	4.8
171.11699	7.1
173.09583	5.1
173.11739	12.1
173.13127	5.1
175.11160	13.2
177.12764	2.3
180.89995	2.2
183.11736	3.3
185.13315	4.3
187.11090	2.5
189.11235	8.0
191.10597	2.3
193.12268	27.4
195.11731	2.5
195.13806	3.1
197.13254	3.0
205.12271	3.6
209.13350	2.6
211.13216	3.0
217.15941	2.1
227.12729	10.8
229.12117	3.8
229.14357	47.8
244.57198	2.3
249.14861	2.7
251.16483	2.3
257.18982	2.4
267.15924	100.0
268.16226	2.0
269.17441	7.7
273.18555	4.6
275.20093	20.5
291.19547	3.8
293.21170	4.5
317.15799	3.5
349.23767	17.1
365.23102	2.8
366.36984	2.0
367.24857	15.7
369.24005	2.3
382.52438	2.4
403.24512	5.2
421.25919	50.1
422.26071	3.0
443.27829	6.0
447.27472	9.2
454.34344	2.5
461.29050	49.1
465.28503	10.4
467.31421	3.6
475.30286	4.0
479.30188	2.2
493.31870	25.3
504.74567	3.0
511.28445	3.4
541.35199	50.2
542.35406	3.1
547.29218	4.5
555.33075	2.2
559.36371	48.4
591.36267	4.2
609.36096	3.5
824.46259	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	822.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	14.9
57.07053	4.2
59.04976	2.6
61.02920	3.3
65.03931	6.2
66.89685	2.0
67.05505	98.5
69.03415	9.5
69.07064	37.6
71.04992	8.0
71.51557	3.6
77.03905	2.4
79.05495	100.0
79.49110	2.1
81.03418	9.7
81.07057	95.1
83.04980	11.9
83.08623	23.7
85.02904	5.8
85.06556	6.7
86.09714	4.7
91.05482	98.7
92.05775	2.8
93.07048	84.4
93.74073	2.1
95.04977	12.4
95.08611	57.2
97.02879	5.7
97.06507	15.2
97.10180	27.1
98.06855	2.3
99.04462	3.6
99.08073	2.7
103.05456	4.6
105.04534	3.0
105.07034	97.5
107.04955	8.4
107.08598	70.5
108.08897	2.0
109.06491	5.6
109.10157	30.7
111.08099	5.8
115.05472	5.9
116.06244	2.5
117.07018	34.5
119.08581	62.8
121.06500	6.3
121.10128	29.4
123.08072	6.9
123.11710	9.9
124.03162	2.2
125.09647	22.1
128.06227	10.9
129.07025	20.4
131.08575	44.6
133.06500	3.5
133.10130	49.7
135.08043	9.4
135.11671	20.8
137.09612	3.3
141.06976	5.8
142.07767	7.1
143.08560	28.5
145.05002	3.0
145.06425	2.8
145.10121	42.0
147.11691	42.0
149.09628	10.6
149.13261	9.0
151.11150	4.3
153.06927	2.7
153.09106	3.9
155.08540	13.0
156.09314	2.2
157.10117	23.0
159.11682	30.6
161.09576	3.8
161.13237	20.9
163.11206	7.6
163.14752	2.9
167.08551	5.6
169.10072	14.8
171.11684	21.5
173.13264	16.9
173.72543	2.1
175.11215	2.8
175.14809	4.5
177.12755	3.7
181.10117	8.7
182.10982	2.3
183.11755	14.3
184.07372	7.8
185.13237	19.5
187.13379	2.8
187.14853	5.9
189.11243	12.2
191.14302	2.5
195.11693	8.8
197.13272	12.9
199.14842	8.7
201.16441	3.3
209.13327	9.6
211.14853	6.0
213.16446	4.0
217.15990	2.8
221.13432	2.6
222.14409	2.1
223.14825	7.3
225.16458	3.5
227.12772	20.3
227.18089	2.9
229.14270	3.5
231.21094	3.1
233.15462	2.3
237.16406	3.9
239.17957	8.1
241.19505	18.6
243.15884	3.3
245.13995	2.9
247.20363	2.6
251.18079	4.0
257.19019	11.7
259.20572	38.2
269.17456	4.1
273.18826	2.5
273.22241	2.2
275.20026	27.9
276.20245	4.0
295.20520	2.3
313.21713	2.9
315.22864	4.6
333.24280	37.5
335.25983	3.3
343.23315	2.9
347.22214	2.9
349.23737	21.6
351.24939	2.8
365.23883	2.3
365.28391	7.7
367.25848	2.7
371.43918	2.7
381.31815	2.7
382.73907	2.1
383.29202	2.8
407.28879	2.8
421.31314	3.3
439.31952	3.7
485.32684	2.8
503.33200	3.0
513.35779	22.5
515.38538	8.9
527.37213	10.4
533.40045	6.3
545.38629	4.0
607.34186	3.1
607.43555	45.6
608.43036	3.1
624.42474	2.8
625.44708	63.2
626.44415	4.4
642.44232	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	822.537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.2
57.07075	5.3
61.02920	3.2
61.38800	2.1
65.03944	5.1
67.05508	100.0
69.03429	9.9
69.07076	40.8
71.04984	7.6
71.86649	2.2
73.93833	2.2
79.05021	3.0
79.05495	97.2
81.03411	12.8
81.07059	97.4
83.04979	10.1
83.08621	25.6
85.02884	8.7
85.06538	7.5
91.05487	95.5
91.05969	1.6
91.41495	2.2
93.07048	89.4
94.07314	2.3
95.04993	13.3
95.08613	50.6
96.08952	2.4
96.97915	2.0
97.02891	6.4
97.06525	20.1
97.10170	21.6
99.04490	2.2
99.08079	4.0
101.06036	2.2
103.05473	3.7
105.04536	2.5
105.07037	95.7
106.07323	2.5
107.04946	11.5
107.08603	56.8
109.06528	10.5
109.10159	25.9
111.04476	2.0
111.08087	5.9
115.05444	7.5
117.07035	37.5
119.08587	68.6
121.06509	4.5
121.10145	32.7
123.08061	5.3
123.11696	9.3
125.09626	17.9
127.03902	3.4
128.06206	3.7
129.07008	20.3
130.07785	4.4
131.08577	45.0
133.06493	3.7
133.10132	58.0
135.08055	7.0
135.11681	19.9
137.09624	3.7
141.06995	6.5
142.07759	5.0
143.08563	23.7
144.09416	2.7
145.10135	32.3
147.08011	3.5
147.11691	34.4
149.09593	14.0
149.13287	15.3
151.11176	3.2
155.08560	9.9
157.10150	22.6
159.08171	2.7
159.11691	25.4
160.12001	2.9
161.09579	3.6
161.13261	18.6
163.11198	6.1
163.14835	2.9
166.07896	2.5
167.08528	6.5
169.10138	13.4
171.11697	23.1
173.11931	3.1
173.13246	14.9
175.11258	2.3
175.14810	9.8
177.12779	6.2
181.10092	7.7
183.11604	13.5
184.07356	6.7
185.13272	16.6
187.13278	4.3
187.14857	6.3
189.11259	7.6
195.11626	3.4
195.13777	4.3
197.13304	11.9
199.14833	8.1
201.16393	2.8
207.11653	5.1
209.13229	5.6
211.14792	4.0
213.16428	3.0
221.13271	3.3
223.14769	3.6
225.16391	4.7
227.12749	16.3
237.16437	3.9
239.17960	6.4
241.19522	16.8
243.16032	3.3
255.15846	3.8
257.19073	11.9
259.20602	31.5
261.22385	3.4
267.15939	4.3
269.17422	11.7
273.18527	3.4
275.20093	26.1
276.20505	3.6
315.23276	6.2
331.22729	2.7
333.24283	42.4
337.25339	2.9
339.22971	2.5
349.23776	21.7
365.28430	4.0
420.10431	2.7
421.30963	2.7
435.32614	4.6
439.31689	3.1
497.36392	3.2
513.35913	22.6
515.38226	6.8
527.37567	24.6
530.29535	2.5
533.39807	4.3
543.37701	2.7
545.38013	4.1
551.40521	3.1
607.43604	37.1
624.43652	4.9
625.44550	49.4
626.44604	2.7
642.44653	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	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.4
57.07077	3.1
65.03933	5.1
67.05508	96.4
69.03423	5.8
69.07072	23.6
71.04979	7.3
77.03928	1.6
79.05498	65.6
81.03413	5.0
81.07062	92.7
82.07375	1.3
83.04984	11.8
83.08603	8.3
85.02898	3.3
85.06549	6.3
91.05486	75.5
93.07049	71.2
95.04970	13.9
95.08607	49.6
97.02930	1.7
97.06552	7.9
97.10171	3.7
99.04453	4.2
99.08076	2.4
101.05998	1.8
105.04516	1.8
105.07037	59.4
107.04986	7.0
107.08599	53.5
109.06517	10.7
109.10164	68.7
111.08091	3.7
113.06002	1.8
115.05467	2.1
117.07011	12.3
119.08578	23.4
121.06512	8.8
121.10143	18.5
123.04453	1.6
123.08074	3.8
123.11721	11.2
125.09610	2.4
127.07576	2.5
128.06229	1.7
129.07037	4.6
131.08578	17.8
133.06490	5.2
133.10139	79.6
135.08038	6.4
135.11708	12.9
137.09636	2.9
141.41736	1.5
143.08566	5.3
145.10126	12.3
147.08047	3.0
147.11693	8.0
149.09636	5.1
149.13258	6.0
151.11194	31.3
157.10178	5.3
159.08092	2.2
159.11707	6.3
161.09636	9.5
161.13266	5.3
169.10117	1.8
169.12288	5.7
171.11761	3.9
173.13316	4.2
175.11075	3.5
177.09167	3.0
179.10794	2.1
185.13275	2.1
213.16325	2.1
215.12814	4.2
227.17958	1.7
235.17453	1.5
238.42212	1.3
243.21167	3.1
245.19041	4.0
253.14359	100.0
254.14615	3.2
255.17461	1.8
259.20627	2.4
261.22119	15.0
263.20157	3.0
271.15540	1.8
273.18509	18.0
291.19574	23.3
309.20432	2.1
317.24695	3.1
333.24179	1.8
335.25821	92.0
336.26184	2.6
347.22150	7.9
363.25354	1.9
365.23273	31.1
384.10480	1.5
410.28391	1.6
436.63824	1.5
439.32288	1.9
457.33057	2.6
513.35571	3.8
525.65338	1.7
529.35040	4.8
531.36841	37.1
532.37061	1.9
544.20093	1.9
607.43451	5.0
625.44678	62.9
626.44775	4.0
637.71460	1.5
812.04504	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	5.1
65.03936	3.9
66.71500	4.3
67.05508	54.2
69.03451	3.5
69.07071	34.0
69.79681	2.8
79.05058	5.7
79.05489	55.3
81.03419	8.7
81.07061	56.6
83.04961	5.1
83.08619	7.0
85.24171	3.0
91.05487	81.8
92.29235	3.2
93.07044	46.2
95.01315	7.8
95.04965	11.0
95.08605	39.6
97.06551	17.9
97.10175	4.7
99.08065	3.6
105.07036	100.0
107.04945	15.7
107.08591	25.7
109.06509	3.7
109.10165	9.2
111.08097	3.8
117.07010	17.0
119.08582	59.2
121.10155	17.1
123.08129	3.4
123.11752	3.2
129.07054	7.5
131.08566	30.5
133.10146	57.0
133.12903	3.4
135.08054	4.5
135.11700	11.8
139.05363	3.3
143.08614	5.3
145.10109	26.9
147.07970	3.2
147.11690	27.0
148.36824	2.9
149.09555	6.7
149.13280	7.5
157.10123	5.0
159.11728	18.2
161.13193	17.7
163.11186	6.8
171.11693	8.5
173.13301	8.7
175.14809	7.6
177.12747	5.2
179.14314	12.1
185.13297	7.6
231.21146	5.2
239.18060	4.7
241.19569	20.5
257.18948	9.2
259.20612	22.4
265.57181	5.0
275.17270	6.2
275.20074	64.8
293.20993	4.0
301.06674	3.4
315.23108	9.2
333.24225	59.3
349.23727	46.4
410.37170	3.1
489.86777	4.1
607.34106	5.9
607.43549	85.6
608.43646	6.2
625.44220	10.3
771.73914	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.5
57.07035	2.4
61.02890	1.0
65.03932	3.4
67.05508	60.2
69.03437	8.4
69.07073	30.0
69.07426	0.9
71.04955	2.5
71.08632	0.8
77.03893	1.4
78.50948	0.7
79.05497	46.4
79.05966	1.5
81.03416	6.4
81.07060	52.2
83.05001	4.5
83.08166	1.0
83.08618	12.2
84.56799	0.6
85.02871	2.0
85.06509	1.9
91.05486	30.3
93.07049	44.1
95.04478	0.8
95.04977	8.7
95.08614	36.9
97.02899	10.7
97.06537	4.1
97.10169	11.8
99.08053	1.6
103.05446	1.5
105.04456	1.3
105.07037	20.4
107.04960	6.9
107.08600	26.3
109.02838	1.6
109.06481	2.7
109.10161	17.3
111.08031	2.5
115.05441	1.2
116.06194	0.8
117.07035	9.5
119.04872	1.5
119.07830	0.9
119.08591	16.2
121.06543	3.5
121.09364	0.9
121.10149	15.3
123.08075	3.8
123.11706	3.6
125.09618	7.6
127.03917	0.7
128.06166	1.6
129.06998	4.2
131.08578	13.2
133.06459	2.3
133.10124	10.5
134.07202	1.2
135.08006	3.6
135.11711	8.2
137.09587	2.2
137.13246	0.9
138.89720	0.7
139.11096	1.0
140.86870	0.7
142.07703	0.9
143.08577	3.6
144.09312	0.7
145.10115	9.9
147.08047	6.2
147.11707	6.6
149.09576	1.3
149.13269	6.1
151.11108	2.8
153.09116	0.7
156.59720	0.7
157.10089	2.9
159.08043	1.2
159.11714	4.6
161.09598	2.4
161.13249	3.5
163.11192	1.6
163.14828	1.8
165.09091	1.4
169.10130	0.9
169.12225	1.5
171.11667	2.4
173.09637	1.2
173.13237	3.4
175.11153	2.3
175.14862	1.3
177.12761	1.8
184.07385	1.6
185.09479	0.8
187.14822	1.1
189.09578	0.8
189.11198	3.6
189.12701	1.0
195.13831	1.3
195.53967	0.8
201.16267	1.2
202.67741	0.7
205.12215	2.4
223.13289	20.9
227.12798	3.7
243.21043	2.8
245.19098	0.9
249.14871	3.4
253.14381	2.7
255.17381	0.9
261.22122	8.1
263.20047	1.3
273.18500	15.6
291.19553	100.0
292.19882	2.9
309.20453	1.1
311.03262	0.6
315.38510	0.7
317.24701	2.8
335.25818	97.3
336.26151	2.7
347.22296	3.2
365.23251	48.0
366.23563	1.6
506.65329	0.9
513.35681	0.7
527.37329	1.4
545.38574	3.6
551.40900	0.9
557.38574	1.0
607.43604	2.2
625.44641	87.2
626.44861	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	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	18.1
65.03929	5.6
67.05509	61.7
67.45176	2.0
69.03444	3.3
69.07072	25.9
70.06594	2.5
71.04990	2.6
71.51470	3.7
74.55805	2.1
79.05495	68.3
81.03422	8.8
81.07058	79.4
83.04975	4.5
83.08617	11.3
85.06528	3.6
91.05484	89.2
93.07044	75.5
95.01353	3.3
95.04982	14.0
95.08606	41.8
97.02927	2.4
97.06531	15.4
97.10169	6.5
99.04472	3.0
103.05461	2.5
105.04520	3.4
105.07030	92.4
107.04961	17.5
107.08586	39.9
109.06522	14.4
109.10157	17.4
111.08099	4.7
113.09709	2.9
115.05447	5.2
116.07047	2.7
117.07030	32.1
119.08585	60.3
120.08954	2.1
121.06519	7.0
121.10151	27.4
123.08077	5.3
123.11721	4.5
125.09663	3.2
128.06210	2.2
129.07007	12.4
131.08568	38.6
133.10130	50.7
133.11098	3.9
135.08063	5.5
135.11673	17.2
136.06230	9.9
137.09648	3.0
141.06958	2.4
143.08568	12.5
145.10126	31.5
147.08083	2.3
147.11688	28.8
149.09615	8.2
149.13304	10.6
151.11229	2.8
157.10149	9.6
159.11694	21.9
161.13257	15.4
163.11168	4.5
163.14915	2.5
169.10150	6.5
171.11708	9.0
173.13324	10.9
175.11241	3.3
175.14844	7.0
177.12785	3.3
179.14308	4.8
183.11708	4.7
184.07352	2.3
185.13231	7.5
187.14902	3.7
191.14043	2.5
197.13268	2.9
199.14812	5.6
201.16437	4.3
219.17451	100.0
229.14258	2.6
231.21097	3.5
239.17952	4.0
241.19464	12.7
257.19025	7.5
259.20627	26.0
275.20065	54.6
276.20380	3.4
293.21225	3.8
315.23245	11.1
333.24225	64.5
349.23752	49.4
382.29678	2.5
607.43561	95.3
608.43610	4.4
625.44360	12.1
660.46985	6.1
823.51086	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	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.9
57.07074	3.3
65.03942	6.8
67.05510	100.0
67.91273	1.5
69.03435	3.6
69.07070	29.2
71.04989	6.9
79.05498	78.0
81.03410	8.6
81.07063	99.9
83.04982	12.2
83.08621	13.6
85.02893	2.3
85.06561	8.0
91.05487	67.4
93.07049	78.9
95.04971	13.5
95.08613	50.1
97.02898	2.8
97.06535	7.2
97.10180	4.3
99.04449	2.6
103.05499	3.3
105.07036	62.4
107.04955	7.2
107.08601	57.2
109.06509	10.8
109.10165	60.9
109.10938	2.4
111.04469	2.0
111.08093	3.7
115.05421	2.1
117.07034	11.5
119.08591	24.6
121.06522	6.4
121.10152	25.0
123.08083	6.2
123.11726	10.7
125.09650	2.4
127.07555	3.5
128.06197	2.8
129.07039	5.0
131.08585	27.1
133.06516	5.1
133.10135	70.2
135.08083	7.1
135.11705	16.5
137.09613	3.3
142.07780	2.3
143.08574	7.4
145.06523	1.9
145.10123	18.4
147.08060	5.1
147.11682	9.8
149.09639	7.4
149.13252	3.2
151.11195	28.7
157.10150	5.7
159.08063	2.9
159.11723	7.5
161.09644	7.5
161.13239	5.7
163.07564	2.8
163.11209	3.3
163.14787	2.1
169.10152	3.2
169.12256	4.7
171.11722	5.6
173.13277	4.5
175.11162	3.3
175.14810	2.5
177.09154	4.1
177.12697	1.6
179.10690	4.0
185.13210	4.1
187.14868	2.9
189.12859	2.0
198.63152	1.7
215.12846	2.7
223.13297	2.1
227.17946	1.8
243.21191	2.7
245.19092	7.3
251.12825	4.4
253.14372	58.0
254.14694	2.5
255.17484	4.2
261.22183	14.0
263.20239	3.5
271.15497	4.4
273.18503	32.7
275.20117	2.8
277.47760	1.7
291.19559	33.7
293.45825	1.5
309.20575	5.2
317.24734	3.1
329.21048	1.8
335.25833	83.1
336.26089	3.3
347.22244	10.7
365.23270	42.9
383.23972	2.8
439.32401	3.2
457.33026	3.1
513.35480	3.9
529.35339	6.3
531.36902	27.1
607.43506	7.3
625.44696	79.6
626.44873	4.3
643.46375	1.7
751.48950	1.9
782.60260	2.0
823.51019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	20.0
61.02922	2.6
62.08217	1.8
62.24932	1.6
62.26224	1.6
65.03945	4.7
67.05510	79.1
69.03445	10.5
69.07072	30.4
69.22823	14.0
70.06596	2.3
71.01331	2.1
71.04995	12.0
79.05501	64.4
79.05965	3.2
81.02939	1.9
81.03423	84.9
81.07061	100.0
83.04985	16.4
83.08626	35.2
85.02890	10.5
85.06550	7.3
91.03917	2.0
91.05492	56.7
93.07050	62.0
95.04971	36.8
95.08607	32.4
97.02891	6.3
97.06541	27.3
97.10172	25.0
99.04463	3.2
99.08097	4.4
103.05451	2.2
105.04512	2.5
105.07037	41.2
107.04967	17.8
107.08607	38.2
109.06522	16.7
109.10155	18.7
109.52030	1.7
111.04440	13.1
111.08087	13.4
113.06044	2.4
115.05454	4.7
115.07581	2.5
117.07024	18.0
119.04937	1.8
119.08578	34.1
119.09382	3.2
121.06526	14.9
121.10155	20.3
123.04401	2.7
123.08079	21.2
123.11691	5.5
125.09637	20.6
127.03928	3.9
128.06233	2.5
129.07010	21.2
130.08643	3.2
131.08585	24.9
133.06509	6.7
133.10135	20.7
135.04356	2.1
135.08060	12.1
135.11702	10.5
137.09679	5.5
137.13223	1.7
141.07019	3.8
142.07822	3.4
143.08591	9.6
145.05095	2.0
145.06473	4.1
145.10121	20.0
147.08031	9.2
147.11703	11.1
149.06003	2.1
149.09653	13.0
149.13261	9.4
151.11180	3.6
153.09142	5.2
153.12758	2.8
155.08589	2.9
157.10139	16.9
159.08063	4.4
159.11737	11.2
161.09639	10.1
161.13258	2.2
163.11211	13.4
165.09128	2.4
165.12738	2.5
167.07089	2.2
169.10141	3.6
171.08066	3.6
171.11725	4.8
173.04395	2.5
173.09605	4.6
173.13260	4.0
175.07515	2.0
175.11238	12.5
177.12790	4.2
181.10141	2.3
181.12280	6.0
183.11729	2.4
185.09775	2.8
185.13269	3.7
187.11241	3.4
189.11229	12.2
189.12759	3.3
191.10710	4.5
193.12265	24.1
195.13867	3.2
197.13315	3.0
199.11276	3.1
201.12787	2.4
205.12250	3.8
207.13806	2.0
211.13255	3.9
217.15907	2.4
219.13846	6.5
221.15254	2.4
223.13350	5.1
227.12785	15.5
229.14333	5.1
230.15440	2.3
231.15736	2.4
245.18930	2.4
249.14709	4.1
264.88281	2.5
267.15927	70.9
268.16513	2.4
269.17496	17.9
273.18521	26.1
275.20013	3.9
283.15405	4.1
285.17026	2.2
289.18317	2.4
291.19525	38.4
301.16833	1.9
309.20667	5.8
313.21664	3.0
329.21194	3.2
331.22949	2.3
347.22327	8.7
365.23248	20.6
383.24380	11.5
421.25903	2.8
433.25757	2.4
443.28000	2.6
445.29614	8.2
447.28015	6.1
459.27942	2.4
461.28879	6.4
463.30597	55.0
464.30792	2.5
465.30121	5.4
483.31323	4.7
501.32407	2.9
511.33069	2.0
521.32184	1.8
539.33533	15.4
557.34778	72.0
558.35620	2.1
575.35815	38.4
576.34564	1.8
589.37238	2.4
607.34662	7.2
625.34845	2.2
822.48193	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	822.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	19.6
57.07072	3.7
59.05004	8.2
60.71267	1.5
61.02935	2.4
65.03940	5.9
66.85839	1.5
66.91342	1.3
67.05511	100.0
68.05858	2.6
69.03442	7.6
69.07075	37.0
70.06592	1.6
71.01344	3.3
71.04999	11.0
73.02903	2.2
79.05500	61.5
80.05835	1.8
81.03425	75.1
81.07064	58.8
82.88994	1.6
83.04984	13.5
83.08156	1.9
83.08626	23.6
85.02898	6.6
85.06564	4.0
87.04466	6.5
91.05487	60.2
93.07050	51.3
93.07641	2.8
95.04973	32.9
95.08616	37.4
97.02904	7.1
97.06537	17.0
97.10174	15.3
98.20623	2.4
99.04448	4.7
105.04521	2.4
105.07038	43.7
106.07351	2.9
107.04961	19.9
107.08602	32.4
109.02915	2.8
109.06526	7.0
109.10164	48.8
111.04440	5.5
111.08101	11.8
115.05450	3.2
116.07069	2.3
117.07021	18.7
119.08588	35.4
120.08888	1.8
121.06510	9.2
121.10159	21.0
122.10470	1.8
123.04424	2.3
123.08074	6.2
123.11691	4.5
125.09636	13.7
125.85792	1.5
127.03923	1.6
128.06256	2.2
129.07016	12.3
131.08571	23.2
133.06477	4.7
133.10144	21.2
134.10503	1.9
135.08057	7.2
135.11714	11.4
137.09612	12.1
141.06978	2.8
142.07767	3.5
143.08560	7.6
145.06493	5.9
145.10123	16.3
147.08084	5.4
147.11697	15.3
149.09619	23.4
149.13307	4.1
151.11160	3.6
153.09160	2.4
153.12718	2.7
155.08606	2.5
155.10649	5.0
157.09026	1.9
157.10152	13.1
159.08020	1.9
159.11710	8.3
161.09642	3.5
161.13283	5.4
163.11180	14.7
165.12820	2.0
169.10109	2.9
171.10272	2.2
171.11580	3.0
173.11755	11.2
173.13155	3.2
175.11243	12.0
177.12694	2.3
179.14316	1.8
181.09987	2.0
181.12222	2.6
183.11728	2.8
185.09612	1.6
185.11751	1.8
185.13283	3.1
187.11195	2.5
189.11229	5.5
189.12721	2.0
191.10701	3.6
193.12268	27.6
195.13841	2.6
199.13298	4.6
205.12210	2.8
209.11659	2.5
211.13203	3.6
223.13319	3.7
225.14778	3.3
227.12709	11.9
229.12141	2.0
229.14366	37.3
239.17935	1.9
243.15950	3.5
247.20764	2.0
249.14929	3.7
255.15892	3.1
257.19055	4.8
267.15933	55.7
268.16391	2.8
269.17514	4.9
273.18640	2.8
275.20068	22.6
276.20389	4.4
280.46429	1.4
291.19617	5.8
293.21024	3.3
303.76553	1.6
315.18024	2.5
329.21091	4.0
349.23740	14.6
350.24112	2.9
365.23083	1.8
367.24860	2.1
403.24686	2.9
409.25961	2.8
411.27179	2.1
421.25845	20.1
423.27365	4.7
429.26117	3.0
435.27359	4.0
447.27469	15.9
503.33374	2.2
541.35339	25.8
559.36243	5.7
644.57849	1.7
784.89636	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.4
57.07066	3.1
59.05013	5.3
59.05268	1.2
61.02935	5.9
61.44254	1.0
63.60488	1.0
65.03932	3.7
67.05511	100.0
68.05823	2.4
69.03421	4.9
69.07079	14.5
70.06588	1.9
71.01360	3.2
71.05008	7.0
73.02918	5.0
79.05499	31.1
80.05855	2.1
81.03424	15.9
81.06590	1.9
81.07065	37.2
82.07379	1.3
83.04974	9.2
83.08630	18.8
84.08125	1.6
85.02915	24.3
85.06538	3.4
87.04469	8.2
91.03957	2.4
91.05485	24.4
92.05792	1.8
93.07054	21.3
94.07365	2.2
95.04995	6.6
95.08615	18.5
97.02884	5.3
97.06542	7.6
97.10179	24.0
99.04450	2.5
103.03986	2.0
103.05479	1.1
105.03403	2.3
105.07028	10.6
107.04951	6.7
107.08598	16.8
109.02839	1.6
109.06518	3.8
109.10168	73.4
111.04445	2.4
111.08099	4.9
113.12093	1.3
116.07076	1.8
117.07011	5.6
118.07339	1.2
119.08594	15.1
121.06535	2.3
121.10169	6.4
123.08060	5.1
123.11698	1.8
125.09646	24.1
127.03911	2.3
129.05447	2.9
129.07014	3.2
130.08629	1.9
131.08565	5.3
133.10147	5.6
135.08044	2.8
135.11728	4.8
137.09627	5.7
143.08632	1.6
143.10683	3.6
145.10143	7.1
147.11707	4.0
149.06003	1.9
149.09627	3.4
153.12738	3.6
155.10715	5.0
157.10098	1.9
159.11638	1.3
163.11201	13.4
173.09639	2.4
173.11752	27.6
173.13202	2.5
181.12271	2.0
184.07425	1.5
189.11272	3.1
191.10696	3.4
193.12286	3.6
199.13300	9.4
205.42245	1.0
209.11743	8.5
227.12788	6.8
229.14391	60.9
230.14740	2.1
257.13879	2.1
269.17477	1.8
275.20163	2.9
276.20340	1.3
283.15549	1.8
301.16464	10.3
349.23499	2.5
350.24048	2.2
373.18591	16.4
383.24130	8.6
388.41049	1.1
455.26334	2.1
504.01901	1.3
527.28461	20.6
544.36859	1.7
624.42944	1.6
625.35822	6.0
643.36487	4.4
653.29102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03202	0.6
57.03444	6.7
60.53169	0.6
61.00027	0.6
61.02928	5.5
65.03944	2.6
65.47324	0.5
67.05510	36.3
67.96691	0.6
69.03432	2.8
69.07074	11.2
69.28198	1.3
69.28604	3.6
70.06590	0.6
71.04994	4.0
73.02911	2.0
77.03898	0.7
79.01801	0.5
79.05497	27.6
81.03426	19.4
81.07061	48.6
83.04982	6.5
83.08148	1.0
83.08623	14.1
85.02905	6.9
85.06539	3.0
87.04453	0.7
91.03961	3.1
91.04916	0.9
91.05484	20.4
93.07047	31.9
94.39764	0.6
95.04979	10.8
95.08612	16.0
96.04501	0.8
97.02918	3.6
97.06527	8.3
97.10165	6.8
99.04461	1.1
99.08101	2.3
105.04517	1.0
105.07036	14.3
105.07697	1.2
107.04952	5.0
107.08601	19.6
109.02878	0.9
109.06538	5.3
109.10168	5.5
109.75318	0.6
111.04475	2.7
111.08080	5.8
113.06015	0.8
115.05453	1.3
117.07033	8.3
119.08583	9.1
121.06525	4.8
121.10156	11.8
123.04467	0.7
123.08078	4.8
123.11716	2.3
125.05967	0.6
125.09652	6.1
127.03939	1.9
128.06216	0.8
129.07025	5.5
131.08574	10.9
133.06587	1.3
133.10135	9.5
135.08075	4.6
135.11700	7.1
137.09650	1.9
139.07559	0.8
139.11214	1.2
141.06995	1.0
142.07730	0.9
143.08534	3.6
145.04973	1.3
145.06514	1.6
145.10127	4.5
147.04373	0.8
147.08069	3.5
147.11707	4.5
149.09679	2.9
149.13271	11.0
151.11200	1.3
153.09131	1.4
153.12766	1.2
155.08548	1.4
157.10118	3.4
159.08080	1.2
159.11700	8.0
161.09642	2.4
163.06087	1.1
163.11169	4.4
165.09076	1.1
165.12740	0.8
169.10175	1.5
171.08125	0.9
171.11668	1.5
173.09644	1.4
173.11859	0.7
173.13301	1.2
175.11214	2.7
177.12767	2.7
181.10138	0.8
181.12256	1.0
183.11731	1.1
185.13275	1.1
189.11218	4.2
189.12694	0.7
191.10663	1.5
193.12248	5.0
195.13792	6.9
197.13345	0.8
197.58395	0.7
201.12883	0.7
205.12172	0.8
209.11772	0.8
211.13239	1.4
213.14748	0.9
217.15903	0.6
219.13840	0.9
223.13332	1.2
227.12723	4.0
228.37451	0.7
229.14413	1.7
230.15463	0.8
245.13824	0.7
245.19135	0.9
245.50529	0.6
249.14899	0.9
251.16519	1.3
267.15930	19.6
269.17493	19.7
273.15604	0.8
273.18475	5.5
275.20132	0.9
283.15451	0.6
291.19537	9.9
292.19086	0.7
293.19489	0.8
301.16730	1.4
309.20676	2.2
313.21490	0.9
329.21225	1.0
347.22168	1.5
353.24719	1.3
365.23370	5.1
371.25916	1.3
383.24271	4.8
413.21127	0.9
419.29584	0.7
437.25479	1.0
443.27798	0.7
445.29593	11.5
446.29782	1.3
447.28256	1.7
459.27371	1.0
461.29077	2.0
463.30576	100.0
464.31049	4.4
465.30328	1.5
483.31006	1.3
490.29272	0.8
501.31918	0.7
539.33606	5.0
557.34827	18.2
558.34900	1.7
575.35822	10.8
589.33862	1.1
599.35687	0.7
607.34869	5.8
822.48370	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	821.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02859	2.8
57.03442	18.4
57.07066	7.1
65.03938	6.0
67.05508	85.6
69.03444	5.6
69.07073	24.4
71.01355	3.6
71.04992	3.1
71.51604	3.3
79.05071	5.7
79.05497	69.2
80.06284	3.4
81.03404	16.9
81.07061	81.8
83.04995	15.3
83.08609	11.8
85.06552	5.3
86.09727	3.1
91.05490	57.9
93.07043	70.3
95.04966	43.7
95.08608	62.4
97.02876	5.8
97.06515	10.7
97.10172	3.6
98.07347	2.7
101.07127	4.9
105.07035	41.6
107.04959	42.0
107.08591	27.5
109.06519	23.9
109.10175	24.2
109.38485	2.7
111.04453	5.3
111.08099	4.8
111.26941	3.2
112.05218	8.6
113.05975	4.1
115.05504	5.1
117.07034	20.7
119.04931	7.6
119.08586	34.5
121.06501	10.0
121.10145	19.3
122.07298	11.8
123.08061	9.2
123.11703	4.0
125.06112	3.8
128.06226	8.7
129.07024	13.1
131.04935	4.0
131.08575	22.0
132.72075	3.2
133.06497	18.7
133.10182	17.8
135.08014	14.0
135.11696	9.9
137.09612	3.4
141.06964	6.8
143.08521	13.1
145.06500	6.4
145.10129	17.6
147.08049	21.4
147.11691	12.9
149.09702	3.8
149.13281	7.4
151.07474	3.8
155.08484	3.6
157.10092	8.4
159.08101	6.6
159.11710	7.9
161.09608	13.4
161.13269	5.4
163.11189	5.2
169.10091	5.1
171.11670	5.6
173.09639	3.5
173.13255	6.7
175.11192	4.8
177.12677	4.6
181.10016	3.9
184.07339	15.1
185.13243	4.8
187.14841	4.9
205.15892	4.4
229.14336	4.1
233.15337	12.2
264.86301	2.8
271.16946	2.9
273.18503	9.5
275.20056	6.5
277.21313	3.3
278.30652	2.9
289.18051	8.6
290.18677	12.6
291.19543	8.9
295.48080	3.0
307.19043	6.9
313.27371	12.3
335.25812	100.0
363.21753	3.9
381.22626	20.4
468.37961	4.5
567.40234	8.2
574.88733	3.5
583.39697	4.8
595.39856	16.7
623.42621	4.5
624.43854	5.6
641.44135	76.8
642.44238	3.4
821.49658	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	821.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	12.8
57.07074	7.0
57.60495	3.0
61.02936	6.0
65.03929	5.4
67.05508	82.2
68.05832	5.5
69.03424	13.8
69.07073	37.7
71.04970	4.6
77.03898	3.8
79.05501	70.3
81.03434	23.7
81.07061	85.1
82.07399	5.0
83.04980	14.1
83.08623	15.5
85.02890	5.5
85.06542	5.7
91.04913	3.6
91.05485	71.5
93.07050	63.4
95.01357	3.6
95.04967	17.6
95.08610	50.4
97.02889	12.1
97.06532	38.1
97.10165	12.7
99.08117	4.4
105.07036	69.4
106.07369	4.6
107.04958	21.4
107.08594	43.0
109.06501	13.1
109.10146	27.3
111.08078	7.0
115.05453	4.0
116.07095	4.9
117.07013	20.4
119.08575	42.1
119.52777	3.1
120.08854	3.1
121.06510	9.7
121.10167	27.3
123.04416	3.5
123.08074	10.2
123.11675	9.9
125.09648	8.3
127.03879	6.5
128.06224	3.7
129.06992	12.1
131.08575	34.9
133.06499	3.7
133.10138	41.9
135.08057	11.6
135.11703	15.5
137.09601	5.1
141.06985	4.8
143.08537	7.3
145.06476	4.7
145.10115	26.3
147.08089	4.6
147.11711	22.4
149.09656	20.2
149.13286	11.8
151.11174	5.8
155.08563	5.5
157.10121	12.3
158.29845	2.8
159.08073	3.8
159.11710	23.7
161.13257	9.2
163.11182	12.5
169.10112	4.8
171.11682	11.4
173.04457	4.8
173.13271	8.6
175.11107	3.9
175.14854	6.7
177.12772	6.6
179.14310	10.9
181.10172	3.7
183.11707	5.1
184.07350	3.6
185.13229	3.5
187.11168	4.2
189.11218	5.3
195.13850	6.3
209.13226	3.5
227.12778	9.1
229.14323	3.4
239.17969	7.4
247.20514	6.2
257.18970	14.9
269.17386	14.7
273.18570	6.9
275.20053	100.0
277.21655	3.2
291.19556	15.1
293.21173	12.0
349.23715	49.1
350.24023	4.3
367.24652	12.8
373.28183	4.2
388.49875	3.1
403.03140	3.4
426.47208	3.8
503.33405	4.3
525.35699	4.6
527.37720	3.3
529.35101	10.6
543.36530	23.2
544.36835	4.9
561.37201	5.1
623.42688	19.6
641.43817	18.5
659.45166	8.5
821.49554	5.4
824.31030	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	821.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	10.5
57.07066	3.6
59.04988	2.8
61.02920	8.1
65.03929	3.3
67.05509	83.5
69.03432	12.3
69.07071	32.0
71.01351	2.9
71.04979	9.8
73.02918	4.1
75.29025	2.8
79.05500	75.2
81.03423	17.5
81.07064	100.0
83.05001	12.8
83.08623	18.4
85.02921	13.5
85.06537	7.0
86.03151	2.0
87.04465	2.5
89.06045	7.6
90.11312	2.4
91.03973	3.4
91.05489	61.8
92.05812	3.7
93.07052	58.6
95.04977	16.2
95.08607	45.8
97.02885	10.4
97.06544	24.0
97.10188	12.4
98.20732	5.9
99.04449	3.5
99.08086	3.7
103.05431	3.9
105.04565	4.6
105.07039	61.5
107.04972	20.2
107.08604	37.8
109.02857	4.8
109.06510	13.5
109.10170	30.2
111.04448	5.3
111.08088	7.8
115.05486	3.2
117.07008	23.4
119.08596	44.9
121.06486	8.9
121.10164	24.3
123.08061	11.0
123.11736	5.4
125.09659	14.6
127.03872	5.6
127.36566	2.3
128.06216	3.4
129.07024	14.5
131.08592	24.1
133.06491	5.7
133.08563	3.7
133.10135	39.5
135.08054	9.2
135.11697	14.5
137.09593	9.5
141.07002	5.6
143.08566	10.7
145.10133	20.7
147.08093	3.4
147.11708	18.9
149.09625	18.1
149.13263	10.3
151.11183	4.9
155.08597	3.1
157.10135	6.2
159.08020	3.4
159.11670	14.7
161.09663	3.1
161.13264	5.9
163.11205	8.6
163.14848	2.7
165.12808	3.0
169.10107	4.9
171.10307	2.9
171.11699	9.2
173.13260	6.7
175.11171	3.2
175.14862	3.2
177.12756	5.1
179.14374	2.8
183.11694	3.2
184.07465	2.4
185.13330	5.6
187.14893	3.5
189.11240	7.9
195.11671	2.5
195.13815	4.4
197.13298	4.7
205.12642	2.5
227.12825	17.2
229.14336	10.1
229.19431	4.3
239.18025	4.6
247.20518	3.0
253.14368	8.3
257.19028	10.2
267.15970	4.1
269.17459	25.2
273.18588	4.9
275.20087	64.1
276.20456	3.4
291.19568	6.0
293.21021	9.4
309.28088	4.2
331.22525	3.6
349.23718	41.7
349.41193	2.5
350.24149	3.8
363.36856	2.7
365.23425	5.0
367.24741	9.2
418.42157	2.8
439.27029	3.5
447.31351	3.3
515.36957	2.7
525.35315	5.7
543.37006	39.8
561.37408	6.7
567.39661	2.5
577.43433	2.5
581.27985	3.0
623.43329	11.8
641.43933	17.2
659.44525	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	820.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03188	1.5
57.03449	12.1
57.07082	34.0
59.05006	1.2
60.08154	1.8
61.02927	1.4
61.39007	1.1
62.85727	1.0
65.03940	1.6
67.05510	61.9
69.03436	1.5
69.06731	1.4
69.07075	16.8
69.29345	10.4
70.84804	1.0
71.04999	2.6
71.08635	26.2
75.86706	1.0
76.83683	1.1
79.05069	1.6
79.05499	22.6
81.03415	1.9
81.07064	44.7
83.04984	3.6
83.08629	18.3
85.06544	3.4
85.10188	14.8
86.09723	4.0
90.10706	1.0
91.05486	16.6
93.07056	21.1
95.04977	3.4
95.08611	31.7
97.06549	6.2
97.10176	11.2
98.20785	2.5
99.08138	1.2
105.07037	16.4
107.04970	3.0
107.08603	17.8
109.06495	2.7
109.10165	44.6
111.08093	3.2
117.07034	5.3
118.01189	1.2
119.08588	17.3
121.10132	8.3
121.79261	1.2
122.69081	1.1
123.08055	2.7
123.11722	4.0
124.99985	2.7
125.09647	5.6
129.07022	1.5
131.08594	8.0
133.10176	9.5
135.08060	4.7
135.11699	4.4
137.09622	2.9
137.13289	1.8
140.78708	1.2
143.08560	2.1
143.90939	1.1
145.10130	7.0
147.11736	5.3
149.09671	5.2
149.13284	4.3
151.11176	1.4
155.10678	3.7
157.10101	2.5
159.08089	2.5
159.11725	6.3
160.55681	1.2
161.13252	1.4
163.11194	2.3
169.10176	1.9
171.10236	1.4
171.11647	1.7
173.11755	7.1
173.13069	2.0
177.12735	1.7
182.09561	1.3
183.11818	1.4
184.07350	19.0
186.11349	1.1
189.11230	2.0
195.13795	1.8
197.13348	1.4
216.62048	1.1
227.12791	9.3
229.14354	46.3
229.19455	1.7
239.17979	1.8
239.23679	2.1
250.82878	1.1
257.18988	3.4
257.24738	2.7
269.17526	15.7
275.20062	24.9
289.18091	1.3
293.21121	2.9
313.27393	100.0
314.27768	3.5
335.25864	3.5
349.23740	20.1
367.24796	15.1
467.37415	31.8
468.37680	2.5
507.40518	38.6
508.41086	2.6
535.38361	1.2
587.46747	30.0
605.47852	20.7
623.42841	3.7
666.04944	1.1
820.48224	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	12.3
57.07080	4.1
59.04983	2.0
60.06153	1.6
61.02929	2.5
65.03935	5.0
67.05508	71.0
68.05833	1.9
69.03429	15.3
69.07076	42.9
71.04984	8.7
71.08636	1.9
71.51151	1.6
71.51488	2.4
79.05498	73.9
80.05817	3.4
81.03429	17.9
81.06586	3.6
81.07060	61.0
83.04984	9.2
83.08630	20.9
84.08115	2.1
85.02888	5.8
85.06535	3.8
86.09690	2.3
87.04497	2.1
89.06020	6.8
91.05490	73.2
92.05795	2.8
93.07047	64.7
93.07640	3.3
94.07373	3.1
95.04975	18.5
95.08002	2.1
95.08615	39.9
97.02892	18.3
97.06519	15.7
97.10181	22.7
99.04452	2.9
105.04492	3.7
105.07038	68.4
106.07368	2.5
107.04964	15.2
107.08606	39.4
108.08934	1.9
109.06518	8.2
109.10162	22.4
111.08101	7.1
111.11715	1.9
112.19338	1.8
115.05452	6.5
117.07027	33.5
119.04922	2.2
119.08593	54.3
120.08918	2.8
121.06494	6.6
121.10159	22.5
123.04426	2.1
123.08048	4.9
123.11701	4.6
125.09620	11.8
127.03902	3.1
128.06235	4.4
129.05482	2.5
129.07014	15.4
130.07794	3.3
131.08582	31.5
132.08897	2.3
133.06488	6.4
133.08606	2.3
133.10138	38.6
134.10487	2.6
135.08041	8.8
135.11702	13.2
137.09596	2.3
141.06975	5.6
142.07771	2.5
143.08563	15.7
145.06448	2.5
145.10138	23.6
147.08060	8.8
147.11707	28.4
148.12036	2.1
149.09630	6.7
149.13237	6.2
151.11182	3.1
152.06569	1.8
153.09138	2.6
155.08533	8.2
157.10124	14.2
159.11702	23.2
161.09633	3.2
161.13242	15.8
162.13487	1.8
163.11163	7.0
163.14848	3.7
165.09157	4.3
167.08560	3.2
169.10173	8.2
171.11684	15.2
173.04503	2.4
173.13255	11.3
175.11198	5.3
175.14847	10.3
177.11240	3.0
177.12700	2.3
181.10220	3.1
183.11694	9.2
184.07353	5.6
185.13278	10.6
187.11162	2.6
187.14810	3.9
189.11226	7.3
189.12721	3.1
193.12186	3.4
194.12823	1.9
195.11673	2.4
197.13235	5.2
199.14857	4.9
208.88742	1.9
209.13297	3.7
211.13188	3.0
211.14949	3.7
213.16399	5.2
223.13240	16.6
227.12750	13.9
229.14284	3.0
237.16394	2.1
239.18007	2.2
241.19553	18.8
245.19089	2.9
257.18884	2.7
259.20587	41.8
267.16022	5.0
273.18561	12.0
275.20090	13.7
276.20410	6.2
283.20465	1.7
291.19568	100.0
292.19852	7.6
299.23621	4.6
315.23270	4.1
333.24295	44.5
345.36661	1.9
349.23831	4.4
365.23257	37.9
379.29767	2.8
434.31778	2.3
451.31989	3.1
525.35760	9.1
531.38269	3.9
541.35291	2.5
542.34943	3.6
543.37012	11.0
549.38947	2.7
605.32813	2.2
605.41864	4.8
622.43097	2.7
623.33191	3.3
623.43066	45.1
640.42670	6.9
641.44250	3.5
712.44641	2.0
743.63684	2.2
820.50177	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	820.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
57.07066	1.4
61.80970	0.8
65.03939	1.8
67.05510	26.1
69.03413	1.2
69.07075	22.7
77.03943	1.3
77.53497	0.8
79.05499	22.4
81.03408	6.2
81.07063	32.0
83.04982	4.9
83.08633	5.3
85.06540	1.0
91.05488	37.3
93.07046	23.7
95.01334	6.0
95.04959	6.2
95.08111	0.6
95.08612	20.7
97.06540	40.1
97.10172	2.0
98.20759	1.3
99.97866	0.7
103.05477	1.4
105.07040	54.7
107.04961	14.6
107.08603	13.4
109.06535	3.4
109.10168	6.2
111.08098	2.3
113.09694	0.8
115.05418	1.8
117.07031	10.9
119.08591	26.7
121.06525	3.8
121.10155	6.0
123.04440	2.3
123.08087	3.3
123.11720	1.9
125.09642	1.6
129.07036	2.3
131.08578	16.5
133.06493	1.3
133.10136	29.7
135.08066	3.2
135.11723	5.1
137.09656	3.6
139.07559	2.9
141.07048	1.1
143.08588	3.4
145.06497	1.4
145.10136	11.6
147.11699	11.8
149.09637	5.8
149.13318	3.3
151.11217	2.0
155.08553	1.7
157.10155	2.6
159.11702	7.4
161.13266	5.9
163.11162	4.6
165.09132	2.4
169.10155	2.2
171.11723	1.9
173.13307	2.9
177.12790	2.9
179.14345	11.1
183.11763	1.8
184.07362	2.0
187.11220	2.4
192.01135	0.8
197.13278	1.2
203.14401	0.9
205.12286	1.6
219.17491	3.9
222.23894	1.0
228.99486	1.1
229.19463	1.4
239.17918	1.3
247.20720	2.3
257.19022	5.4
257.35831	0.9
275.20084	75.6
276.20404	2.7
279.15970	1.3
293.21213	5.3
331.22910	0.9
349.23755	49.7
350.24060	1.6
469.50586	0.8
623.43115	100.0
624.43506	6.2
641.44379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	15.9
57.07072	6.2
61.02906	3.8
65.03930	6.2
65.35096	2.4
67.05509	100.0
69.03434	41.9
69.07069	33.5
69.19814	20.4
71.01348	3.2
71.05018	13.5
73.02895	2.5
74.12237	2.1
77.03910	3.0
79.05074	4.6
79.05498	67.8
81.03421	63.2
81.06599	3.7
81.07063	71.5
83.04982	19.9
83.08622	23.3
85.02906	18.5
85.06476	3.4
91.05487	70.9
93.07047	67.8
95.01313	4.2
95.04971	20.7
95.08614	44.1
97.02895	33.0
97.06537	27.2
97.10192	16.9
99.04465	6.2
101.02354	2.9
103.04011	2.8
103.05506	2.6
105.07044	65.1
107.04970	17.8
107.08602	36.9
109.02876	11.3
109.06551	11.9
109.10159	46.7
111.04442	8.5
111.08079	6.6
115.05461	4.4
117.07025	27.4
119.08588	44.8
121.06506	8.4
121.10177	21.6
123.08078	6.2
123.11723	3.8
125.09668	12.2
127.03928	14.4
128.06212	6.1
129.05482	3.2
129.07031	22.0
131.08580	42.1
133.06458	5.4
133.10146	37.3
135.08066	9.5
135.11681	14.7
137.09627	6.4
139.07623	2.8
141.06970	9.3
142.07777	4.1
143.08565	20.4
145.06496	4.7
145.10120	32.6
147.08020	6.2
147.09134	2.4
147.11703	23.9
149.09589	9.5
149.13266	6.5
151.11185	2.9
155.08575	12.7
155.10701	2.5
157.06433	2.9
157.10168	19.5
159.11742	23.4
161.09590	5.6
161.13261	11.4
163.11180	8.2
165.09105	3.4
165.12750	2.8
167.08624	7.4
169.10100	8.0
171.08060	5.6
171.11673	14.6
171.12978	2.9
173.04480	23.8
173.09581	5.7
173.11771	6.5
173.13258	13.5
175.11180	5.9
175.14868	4.9
177.12762	3.6
179.14275	3.5
181.10092	7.3
183.11691	7.9
185.09645	4.7
185.13297	9.4
187.11218	5.7
187.14731	3.6
189.11220	3.7
193.12236	5.5
195.08025	3.3
195.11752	5.1
197.09641	3.9
197.13234	5.8
199.13132	4.0
199.14847	7.9
201.12694	3.2
209.13344	4.4
211.14902	3.8
213.12820	4.7
213.16299	3.0
227.12587	5.8
229.14308	17.0
241.19495	7.7
245.19054	4.3
257.18973	4.9
259.20581	19.3
267.15848	4.7
271.20444	2.7
273.18585	5.7
275.20114	38.9
277.21548	4.4
291.19632	14.9
295.20712	2.7
301.21722	4.5
313.21646	5.5
325.21594	4.7
333.24289	7.2
335.26163	2.7
347.21902	2.7
349.24097	16.7
365.23575	4.8
367.22491	4.0
371.19635	2.8
385.23642	3.7
541.35199	15.1
543.36707	4.2
559.36322	7.3
583.35840	3.7
621.41205	5.1
639.42450	17.4
657.42670	3.8
684.49097	3.1
703.39990	4.9
761.79297	2.7
801.46216	3.3
819.47357	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	819.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	27.3
59.04994	3.4
61.02914	7.6
65.03943	8.6
67.05507	100.0
69.03435	14.5
69.07072	36.8
69.24449	2.7
70.90295	6.9
77.03912	2.7
79.05498	92.4
81.03417	27.2
81.07061	81.9
82.45796	2.8
83.05005	17.5
83.08627	18.5
83.82719	3.5
85.02905	10.1
85.06539	10.4
91.05485	88.8
93.07040	57.3
95.01365	3.9
95.04965	64.8
95.08613	49.1
97.02895	15.2
97.06526	38.1
97.10191	18.3
103.05461	5.0
105.04518	4.7
105.06326	4.0
105.07039	80.5
107.04966	28.7
107.08605	51.8
109.02847	4.0
109.06521	47.8
109.10162	24.2
111.04405	6.2
111.08079	6.0
113.06023	16.7
117.07021	33.7
119.08585	48.0
121.06511	13.5
121.10172	25.6
123.08074	11.9
123.11713	7.7
125.09608	16.9
127.03941	6.5
128.06229	5.8
129.07021	17.1
131.08553	42.0
133.06470	10.9
133.10136	43.5
135.08055	33.0
135.11728	17.1
137.09613	7.2
141.07021	4.8
142.07817	3.6
143.08508	17.1
145.06508	6.0
145.10135	35.4
147.08058	19.6
147.11679	18.7
149.09642	18.0
149.13264	9.2
155.08589	5.8
157.06493	4.0
157.08873	3.1
157.10114	17.3
159.08078	9.4
159.11642	16.0
161.09639	13.1
161.13293	6.8
163.11183	11.7
165.06972	3.3
167.08492	2.8
169.10181	10.3
171.10323	4.3
171.11743	9.3
173.04463	4.3
173.09596	6.7
173.13301	8.4
175.11292	3.4
175.14769	4.8
177.12817	5.9
179.14330	7.0
181.10121	3.4
183.11789	8.6
185.09622	5.0
185.13306	6.1
187.11278	5.1
187.14838	5.9
189.11209	9.3
189.12796	3.8
195.11723	6.7
195.13531	3.9
197.13301	7.0
199.14841	6.6
201.12865	3.6
201.16417	5.5
217.15930	9.2
223.13333	8.9
227.12706	14.5
233.15356	7.0
239.18144	3.9
245.19058	4.9
255.17378	6.1
257.18970	9.8
259.20648	4.8
271.17108	3.3
273.18512	34.7
275.20074	72.7
289.17993	11.2
291.19565	91.8
307.19061	3.8
315.23318	5.8
333.24493	14.3
347.22171	11.6
349.23801	39.7
365.23282	28.4
372.68356	3.4
381.22479	3.0
453.93799	3.4
461.28793	3.2
541.35455	5.9
543.35297	3.7
559.36017	8.6
621.41394	19.9
622.41614	3.3
623.42639	4.1
639.42572	54.3
640.42725	4.0
657.43268	5.9
783.45844	3.8
801.47607	6.5
819.47803	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	819.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	17.7
57.07069	5.7
61.02923	6.1
65.03938	4.9
67.05511	100.0
69.03436	34.5
69.06738	2.9
69.07076	45.8
71.04988	11.0
73.02908	4.5
79.05502	82.8
81.02985	4.6
81.03423	52.8
81.07061	96.2
82.07433	2.8
83.04975	20.9
83.08629	29.1
85.02913	21.8
85.06509	3.5
91.05482	79.9
93.07050	79.5
95.04974	33.1
95.08614	52.2
97.02906	34.6
97.06538	31.9
97.10185	31.4
99.04444	7.3
99.08087	5.7
103.05473	4.3
105.04479	2.8
105.07036	67.7
107.04951	24.6
107.08603	47.9
109.02875	10.3
109.06533	16.1
109.10162	35.8
111.04426	8.5
111.08062	10.2
114.66886	2.6
115.05462	4.6
117.07027	30.4
119.04929	3.9
119.08595	61.2
121.06496	11.8
121.10152	26.9
122.72936	2.4
123.04421	5.1
123.08078	16.9
123.11708	9.5
125.09634	25.5
127.03908	14.8
128.06233	5.3
129.05482	4.1
129.07001	19.9
131.08572	35.8
133.06505	7.2
133.10153	43.9
135.08046	11.1
135.11688	16.9
137.09578	8.9
139.11188	4.1
141.06995	6.2
142.07748	4.2
143.08559	20.3
145.04942	2.9
145.06435	5.4
145.10156	36.6
147.08037	17.3
147.11678	26.2
149.09648	21.9
149.13243	9.5
151.11200	4.2
154.07761	3.5
155.08525	9.4
157.06461	3.4
157.10143	18.9
159.08075	5.6
159.11694	21.9
161.09604	9.2
161.13268	11.0
161.14659	2.3
163.11172	11.3
165.07028	2.8
165.09070	5.8
167.08569	5.3
169.10110	8.8
171.08093	4.6
171.11662	15.8
173.04482	13.5
173.09541	6.4
173.13243	10.9
175.11211	6.9
175.14801	3.2
177.12750	6.6
179.14305	4.2
181.10094	4.1
183.08092	2.7
183.11673	5.3
185.13222	7.7
187.11182	3.7
187.13310	3.1
189.11223	10.3
191.14224	2.9
193.12120	6.7
195.11749	5.0
195.13806	5.1
197.13306	7.4
199.11211	4.0
199.14844	5.8
205.12154	3.2
207.11583	3.5
211.13232	3.9
213.12660	3.0
223.13269	10.1
225.12857	3.8
227.12770	21.5
229.14310	11.9
229.19562	4.0
229.66895	4.0
241.19409	4.3
245.18781	2.8
247.20621	3.7
249.14890	4.8
257.19052	8.9
259.20551	8.6
267.15842	8.2
269.17447	10.0
273.18536	30.6
275.20099	54.2
281.70523	2.9
291.19559	82.7
292.19946	4.0
293.21225	6.9
301.21597	3.5
331.22705	3.8
333.24335	6.7
347.22321	7.9
349.23798	28.2
365.23297	32.2
367.22559	3.9
461.28827	3.7
463.17105	3.1
489.19095	3.7
525.35614	4.1
541.35284	12.5
543.36487	8.0
559.36584	18.6
621.41730	6.6
623.43048	3.7
639.42651	34.2
657.43536	12.2
703.40302	5.0
726.36792	2.8
727.82416	3.2
801.47028	5.5
819.48468	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	819.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	24.2
57.07078	4.2
61.02926	3.6
65.03928	7.4
67.05508	88.3
69.03429	15.7
69.07074	24.4
69.16502	21.9
69.18992	2.2
71.05003	6.1
79.05495	57.5
81.03429	22.6
81.07059	66.2
83.04976	18.4
83.08636	12.4
85.02893	7.7
85.06545	11.2
91.05482	64.1
91.06021	4.0
93.07043	56.5
95.04970	66.8
95.08615	36.2
97.02888	9.4
97.06525	18.4
97.10159	4.4
99.04471	6.4
102.75205	1.9
103.05439	2.4
105.04524	3.6
105.07033	53.0
107.04971	21.9
107.08597	33.8
109.02879	4.9
109.05797	4.3
109.06523	60.0
109.10171	18.2
111.04422	2.6
111.08071	7.7
112.18086	2.0
113.06010	31.6
115.05456	5.2
116.06198	4.5
117.07018	25.4
119.08589	32.9
121.06506	10.7
121.10147	19.6
123.04478	4.1
123.08069	8.9
123.11707	3.0
125.06011	4.6
125.09661	5.1
127.03916	5.9
128.06197	5.8
129.07005	15.2
131.08578	35.0
133.06512	5.1
133.10138	25.1
135.08057	47.6
135.11728	12.7
137.09605	4.5
141.06982	3.1
143.08575	18.0
145.06474	4.2
145.10136	25.9
147.08078	10.0
147.11694	14.1
149.09639	12.1
149.13278	9.0
151.07671	2.8
151.11171	4.3
155.08568	5.9
157.10181	12.1
159.08084	7.1
159.11694	17.1
161.09634	11.1
161.13268	6.0
163.11188	8.8
163.14819	2.6
165.09169	2.2
169.10135	7.2
171.11728	10.0
173.04486	5.6
173.09604	4.3
173.13213	4.8
175.11223	5.6
175.14804	3.0
177.12761	6.7
181.10036	2.3
183.11722	5.9
185.09717	2.8
185.13333	5.8
187.11264	4.3
187.14870	2.6
188.55856	2.2
189.12703	4.3
195.11772	4.3
195.13828	3.2
197.13358	4.2
199.11198	3.4
199.14850	6.6
201.12851	3.0
205.12117	2.4
217.15968	10.3
227.17902	3.1
233.15396	4.6
245.19048	3.2
251.16423	2.3
255.17427	2.7
257.19080	4.2
259.20572	2.8
269.17493	12.5
271.16983	3.9
273.18481	44.7
274.18628	2.9
275.20090	24.8
279.15720	2.8
289.17999	16.0
291.19547	100.0
292.19785	3.0
333.24176	7.0
347.22244	12.6
349.23816	18.1
363.21674	5.6
365.23279	19.4
367.25104	2.9
393.27859	2.8
413.21616	7.7
519.32825	2.9
541.35187	10.3
543.36322	2.3
559.36340	22.4
581.38037	3.8
621.41333	18.0
639.42590	21.5
645.55988	2.2
657.43439	7.9
703.40308	9.2
709.01355	2.5
819.47729	2.4
822.09570	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	12.7
57.07079	33.9
61.02926	2.8
65.03947	3.6
67.05244	2.7
67.05506	45.6
69.03429	6.9
69.07072	23.5
69.19966	13.3
71.04993	4.8
71.08633	25.5
79.05496	39.6
81.03420	11.5
81.07060	78.7
83.04990	12.5
83.08627	21.9
85.02903	4.7
85.06539	2.9
85.10191	15.2
89.06029	4.0
91.05486	26.0
93.07053	27.4
95.04981	15.1
95.08611	33.5
97.02899	3.3
97.06516	12.1
97.10174	26.1
98.21590	2.9
99.04456	3.3
99.08093	5.3
99.11687	1.4
103.07584	2.1
105.07030	18.7
107.04964	11.2
107.08606	21.9
109.06539	9.7
109.10155	15.2
111.04462	13.4
111.08070	5.3
111.11771	1.6
112.02668	1.4
113.06014	1.6
115.05479	1.5
117.07027	12.7
119.08582	22.0
121.06512	7.8
121.10172	13.4
123.08093	22.8
123.11739	2.7
125.09624	24.2
127.03921	1.6
128.06227	2.8
129.05486	1.6
129.07013	7.0
131.08566	9.5
133.06500	4.1
133.10138	9.8
135.08052	6.5
135.11679	8.3
137.09618	4.2
137.13298	1.7
139.11145	2.7
142.47617	1.3
143.08562	4.4
145.10144	11.8
147.08061	10.0
147.11690	6.4
149.09662	7.9
149.13239	2.7
153.09111	3.1
153.12704	3.9
155.08537	1.9
157.10153	4.5
159.11720	6.4
161.09601	9.4
163.11160	15.0
165.09142	3.6
169.10214	2.2
171.10245	3.4
171.11711	4.8
173.09702	3.5
173.13225	1.5
175.11198	4.4
177.12784	2.5
181.12289	5.6
183.11832	1.9
184.07373	2.9
189.11206	17.0
189.12764	2.6
191.10687	4.9
193.12135	3.5
223.13248	3.2
227.12773	24.3
227.17935	1.4
239.23772	4.3
245.13797	1.6
245.18991	4.7
249.14748	3.1
255.17554	2.8
263.20215	1.9
269.17572	2.0
273.18478	32.2
283.15427	2.9
291.19553	71.2
309.20618	12.0
313.27377	100.0
314.27902	1.8
347.22223	12.2
365.23245	39.2
383.24326	24.8
483.36627	2.6
507.40552	1.6
585.44952	6.5
603.46179	42.9
604.46472	2.4
621.37634	3.0
621.47333	41.6
818.50330	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	816.5765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
57.07074	0.7
57.81381	0.1
58.06634	0.4
59.07390	0.1
60.08169	5.6
61.02915	0.1
67.05508	1.4
69.03430	0.2
69.07066	0.7
69.50208	0.8
69.94853	0.1
70.06604	0.2
71.04996	0.1
71.07381	3.1
71.08631	0.5
79.05495	0.8
81.03434	0.2
81.07065	1.4
83.04977	0.4
83.08627	0.4
84.08147	0.2
85.02928	0.1
85.10193	0.2
86.09711	27.6
87.04443	0.2
87.10059	0.5
91.05492	0.8
93.07056	0.8
95.04984	0.4
95.08606	0.8
97.06564	0.5
97.10187	0.2
98.21480	0.1
98.98466	3.3
104.10754	2.6
105.07072	0.7
107.04972	0.3
107.08617	0.7
109.06519	0.3
109.10200	0.7
111.08138	0.2
113.05924	0.1
116.07072	0.1
119.08620	0.4
121.06509	0.2
121.10163	0.3
123.11759	0.1
125.00012	19.2
130.08633	0.3
131.08615	0.3
133.10153	0.6
135.11734	0.2
147.08051	0.1
151.11247	0.3
157.10193	0.1
159.08067	0.2
159.11740	0.2
161.09618	0.1
184.07352	100.0
185.07721	2.0
186.07774	0.4
221.81517	0.1
253.14342	0.4
261.18646	0.2
271.16965	0.3
289.18079	0.9
307.19193	0.2
313.27332	1.4
326.27829	0.2
349.23520	0.1
363.21542	0.4
381.22720	0.5
509.38693	0.2
521.40521	0.2
522.35205	0.1
534.31445	0.1
552.32092	0.1
589.47943	0.2
601.44971	0.6
619.45459	0.3
716.48486	0.7
775.44348	0.1
798.56512	0.8
816.57550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	21.5
57.06794	1.8
57.07082	62.7
61.02923	4.8
65.03934	4.3
67.05512	63.5
67.05882	3.1
68.42930	1.5
69.03434	14.9
69.07074	63.7
70.06576	1.7
71.04994	20.0
71.08639	47.0
71.51875	2.1
73.02901	7.5
73.06551	3.1
79.05499	52.1
81.03428	18.8
81.07063	63.8
83.04971	9.7
83.08627	25.1
85.02915	8.3
85.06553	3.9
85.10190	29.2
86.09711	4.1
87.04484	8.3
89.06039	52.6
91.03952	2.5
91.05485	49.4
93.07052	47.3
94.07397	1.5
95.04985	16.7
95.08616	45.4
97.02902	10.8
97.06540	77.7
97.10167	12.7
99.04457	4.7
99.08102	3.8
99.11734	2.1
103.05509	2.1
103.07564	1.7
105.04504	1.9
105.07041	26.3
107.04955	10.8
107.08607	24.6
109.02893	5.3
109.06522	18.7
109.10170	23.3
111.04491	2.9
111.08089	5.0
111.11738	2.2
113.05945	3.0
113.13315	2.3
115.05455	3.1
115.07588	24.0
117.07024	18.3
117.09138	4.5
119.08595	20.5
121.06538	9.7
121.10155	14.0
123.04472	1.6
123.08070	5.5
123.11710	8.4
125.09681	3.9
125.13295	2.2
127.03925	5.2
127.07565	2.2
128.06256	2.0
129.05499	1.9
129.07001	11.0
130.08679	2.4
131.08586	22.1
133.06517	8.3
133.08621	21.4
133.10136	19.7
135.08072	14.4
135.11708	8.5
137.09575	1.8
137.13272	3.0
139.07523	1.9
141.07019	2.6
143.08565	9.7
145.06511	2.7
145.10150	11.6
147.08064	8.1
147.11726	4.6
149.05992	2.1
149.09633	7.8
149.13261	8.7
149.81171	1.7
151.11197	4.5
151.14859	1.6
153.35770	1.5
155.08580	2.0
157.10139	8.7
159.08153	2.0
159.11713	11.9
161.09641	7.2
161.13263	4.1
163.11211	4.1
169.10107	2.4
171.11703	6.0
173.04469	4.5
173.09555	1.9
173.13245	5.8
175.09677	2.3
175.11171	5.3
177.11230	9.2
177.12769	8.3
183.11766	2.9
184.07353	12.2
185.13297	3.1
187.11208	2.9
189.12790	2.5
189.16374	2.2
193.12148	1.6
195.11960	1.8
195.13846	5.7
199.14890	2.7
200.56696	1.8
201.07503	3.3
201.12772	2.4
203.14255	1.7
217.15892	13.8
219.13954	2.2
221.13640	2.1
221.15550	1.8
223.13310	1.9
227.12721	2.8
227.17975	3.6
229.42671	1.5
231.17639	1.5
233.15404	6.5
239.23698	5.5
245.19049	4.2
253.14360	3.8
255.17725	2.9
255.26828	1.5
257.24835	3.3
263.20267	2.0
267.15948	3.0
269.17480	20.4
273.18509	42.3
274.18756	1.6
275.19757	1.5
291.19525	20.2
297.16986	3.0
307.19006	5.6
312.45316	1.6
313.27399	100.0
329.20837	1.7
347.22241	17.1
365.23154	14.4
369.29977	3.2
417.22522	1.8
437.25833	1.7
463.12897	1.6
493.38953	2.0
498.54828	1.5
505.38791	1.7
507.40524	32.3
509.38242	2.3
533.42163	3.0
535.39752	5.5
545.41797	4.7
550.02814	1.6
561.41321	1.9
585.44781	9.9
603.46216	18.7
621.46924	7.1
818.51343	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	814.56
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.1
58.06639	0.5
59.07400	0.2
60.08170	6.1
67.05517	0.6
69.03444	0.1
69.07064	0.2
71.07376	3.9
71.51555	0.2
71.91539	0.1
73.40752	0.1
79.05502	0.3
81.03423	0.2
81.07060	0.5
82.96161	0.1
83.08650	0.2
85.02908	0.2
86.09711	31.2
87.10044	0.3
91.05495	0.3
93.07047	0.5
95.04974	0.1
95.08616	0.3
97.02917	0.1
98.98469	3.8
104.10747	2.3
105.07033	0.2
107.08592	0.2
109.10154	0.2
119.08584	0.3
121.10170	0.3
125.00013	21.6
131.08536	0.2
133.10126	0.1
143.01152	0.2
145.10178	0.1
184.07352	100.0
185.07774	0.8
208.76236	0.1
211.01344	0.1
249.56775	0.1
327.22803	0.1
385.84113	0.1
500.30981	0.2
518.31799	0.3
778.53925	6.3
779.54138	0.7
814.53992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06363	0.2
58.06628	0.4
59.07396	0.2
59.10777	0.1
60.08170	7.2
67.05507	0.5
69.17693	0.7
69.18121	0.8
70.06622	0.2
71.06985	0.2
71.07381	4.4
78.08814	0.1
79.05502	0.4
81.07048	0.2
84.08139	0.3
86.09712	32.6
87.10048	0.3
91.05499	0.3
93.07039	0.2
95.08596	0.2
98.98476	3.8
104.10759	2.1
107.08616	0.2
119.08557	0.2
125.00016	23.3
130.08636	0.2
131.08572	0.2
143.01071	0.3
184.07353	100.0
185.07701	0.6
348.13284	0.2
473.88531	0.1
640.43762	0.2
687.08795	0.2
776.52301	4.8
777.52203	0.4
795.46741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34508	0.2
57.07082	0.2
58.06348	0.2
58.06620	0.5
60.08166	6.8
62.28886	0.2
63.54235	0.2
67.05513	0.7
69.07049	0.2
70.06593	0.3
71.07375	4.6
74.09728	0.3
79.05508	0.4
81.07065	0.7
86.09710	33.2
87.10038	0.4
89.32195	0.2
91.05468	0.3
93.07056	0.5
95.08609	0.3
98.98472	4.2
104.10751	2.8
105.07065	0.3
107.08591	0.2
109.06502	0.2
109.10154	0.3
119.08580	0.3
121.10141	0.2
123.08078	0.2
125.00011	23.7
143.01051	0.4
183.17307	0.2
184.07349	100.0
185.07693	1.1
259.21420	0.2
726.47174	1.4
778.53125	0.7
812.54047	1.0
813.49451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06358	0.2
58.06623	0.5
58.75816	0.1
59.07387	0.2
60.08167	6.4
67.05496	0.6
69.07069	0.2
70.06607	0.2
71.07380	3.9
74.09708	0.2
79.05511	0.3
81.07059	0.5
86.09710	31.6
87.10045	0.2
91.05514	0.2
93.07058	0.2
95.08626	0.3
98.98473	3.7
104.10745	2.5
104.45624	0.2
105.07047	0.2
107.08573	0.2
125.00012	21.4
143.01079	0.3
180.85648	0.2
184.07350	100.0
185.07758	0.8
229.03882	0.2
233.99474	0.2
239.23737	0.1
265.81293	0.2
267.05408	0.2
338.10095	0.1
520.34088	0.2
603.84528	0.2
726.46765	1.9
778.54224	0.7
812.52789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.62211	0.6
60.08170	2.4
61.02941	5.8
66.99029	0.5
67.05512	5.8
67.30286	0.5
69.03438	3.8
69.07082	1.1
71.01354	0.8
71.05029	0.6
71.07399	1.3
73.02917	4.5
73.61964	0.5
79.05496	5.3
81.03436	1.7
81.07072	5.8
83.05032	0.6
85.02920	6.2
85.06566	0.6
86.09714	13.4
87.10077	0.7
87.69349	0.5
91.03973	3.8
91.05502	4.0
93.07057	5.1
95.08610	4.0
97.02908	4.4
98.98476	1.6
99.04454	1.3
100.94771	0.6
101.02386	1.4
104.10759	0.7
105.07022	2.9
106.09417	0.6
107.08598	3.5
109.02897	1.2
109.10199	1.7
109.45911	0.6
117.07047	0.9
119.08621	2.1
121.10184	2.1
125.00020	9.4
127.03947	1.4
131.08575	1.2
133.10188	1.6
135.11717	1.1
143.08719	0.7
145.10117	1.0
147.11736	1.0
159.11780	0.6
161.13373	0.7
184.07355	36.4
185.04219	1.1
185.07727	3.8
187.14877	0.7
189.75916	0.6
241.16806	0.6
243.08533	2.2
262.99951	0.6
268.53345	0.6
301.09006	1.0
301.72836	0.6
519.29346	10.8
535.28790	3.2
548.24915	0.6
591.31793	0.8
813.51288	100.0
814.51569	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	810.528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06625	0.4
59.07402	0.2
60.08167	6.1
67.05515	0.5
70.90623	0.2
71.07376	4.2
71.08633	0.2
71.52003	0.2
79.05495	0.3
81.07028	0.2
86.09708	29.8
87.10038	0.3
88.37415	0.1
89.06049	0.3
91.05473	0.4
93.07041	0.3
95.08612	0.2
98.98467	3.7
104.10753	2.0
105.07021	0.4
125.00009	20.5
131.08553	0.1
133.08562	0.2
139.59459	0.2
143.01088	0.2
147.11673	0.2
184.07346	100.0
185.07695	0.8
237.40271	0.1
280.33487	0.1
342.60645	0.2
516.30627	0.2
725.16809	0.2
734.75793	0.2
774.50726	4.0
774.64575	0.3
775.50537	0.5
810.54828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.05012	0.8
60.80845	0.6
61.02925	4.3
67.05501	5.4
69.03431	3.5
69.07072	2.6
69.37082	0.5
71.01370	0.6
71.04990	2.1
73.02934	3.7
79.05495	5.5
81.03426	5.3
81.07061	5.1
83.04998	1.4
83.08627	1.6
85.02921	4.6
86.09746	0.6
87.04443	0.7
91.03956	2.8
91.05492	5.0
93.07043	3.9
95.04993	1.7
95.08617	2.5
97.02908	4.0
97.06545	1.0
99.04467	1.0
101.02378	1.4
105.07032	3.5
107.04974	0.8
107.08618	1.8
109.02896	1.4
109.10187	0.9
111.08088	0.8
117.07046	1.2
119.08618	1.8
121.10174	2.0
123.83932	0.5
125.09656	0.6
127.03947	1.0
129.07042	1.0
131.08591	2.2
133.10152	2.4
147.11720	2.1
149.09692	1.4
157.10168	1.3
175.11246	0.8
184.07361	1.0
193.12201	1.2
203.05301	0.8
225.14813	0.7
233.95422	0.6
243.08420	3.1
259.07950	0.7
267.15826	0.8
268.71378	0.5
283.15225	3.9
315.10855	0.6
333.20480	1.6
339.17734	0.8
453.20773	1.3
501.23019	11.7
526.10541	0.5
551.28204	7.5
573.26025	0.6
581.83301	0.6
605.82007	0.6
811.44513	100.0
812.44763	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	811.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.6
59.99670	0.5
61.02934	6.2
65.03947	0.9
67.05511	6.4
69.03436	3.9
69.07072	2.8
70.08978	0.6
70.09319	2.0
71.08634	0.7
73.02918	4.2
79.05502	4.8
81.03417	2.0
81.07053	6.6
82.25748	0.4
83.08614	1.4
85.02917	4.8
86.09715	0.9
91.03960	3.2
91.05489	3.9
93.07055	5.0
95.04996	0.9
95.08623	5.4
97.02899	4.2
97.06561	0.9
98.21503	0.7
99.04460	1.3
101.02393	2.2
105.07040	3.8
106.79324	0.5
107.04982	0.8
107.08612	3.5
109.02921	0.9
109.06518	0.8
109.10165	2.0
113.00042	0.6
115.70752	0.5
117.07041	1.0
119.08569	2.4
121.10165	1.9
123.08073	1.1
123.11741	0.8
125.00021	0.9
127.03945	1.5
131.08582	1.4
133.10149	1.3
135.08061	0.9
135.11722	1.1
145.10143	0.7
147.11699	1.1
149.09637	0.6
149.13277	0.9
159.11800	0.8
163.11269	0.6
173.13451	0.4
179.14310	1.0
179.41197	0.5
184.07339	4.0
185.04338	0.6
203.05330	1.0
243.08418	2.9
274.18494	0.7
275.20111	0.6
315.19278	5.9
331.26392	1.2
335.25858	0.7
387.29144	1.3
413.89728	0.5
451.82248	0.6
498.23386	0.5
519.29364	8.2
533.27100	4.2
599.43262	1.5
719.83118	0.6
811.49689	100.0
812.50220	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	808.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.7
57.07098	6.7
67.05512	100.0
69.07063	25.2
79.05501	87.9
81.07068	93.7
83.08634	16.1
91.05489	91.3
93.07065	95.9
95.04979	6.4
95.08627	65.9
98.20731	20.5
99.08144	7.0
105.07043	89.6
107.08623	60.9
109.10181	32.3
112.74041	6.5
117.07034	31.8
119.08604	65.6
121.10149	40.4
129.07011	18.2
131.08562	32.6
133.10161	52.3
135.11702	30.8
143.08536	10.8
145.10139	39.9
147.11716	40.1
149.09642	7.5
149.13263	19.5
150.16341	6.7
157.10152	9.4
159.11711	24.5
161.13264	26.4
163.14767	6.3
171.11746	14.3
173.13261	16.8
175.14865	10.6
184.54889	6.8
185.13293	11.8
187.14864	15.3
193.78479	6.7
199.14883	12.3
229.90506	9.7
241.19617	24.8
255.80847	8.5
257.18903	9.3
259.20584	66.5
261.22104	11.1
333.24246	54.0
335.25803	79.8
441.94623	6.6
519.42133	10.7
593.44916	11.3
611.46735	48.1
718.49548	8.4
750.98938	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	809.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
58.40321	0.4
59.05001	0.9
61.02940	3.3
67.05508	8.8
67.51734	0.5
68.05821	0.6
68.12595	0.5
69.03422	3.5
69.07078	4.0
71.05010	2.7
71.52001	0.4
73.02927	3.0
79.05501	6.7
81.03426	7.9
81.07065	8.0
82.07413	0.8
83.04991	2.1
83.08637	2.2
85.02911	4.1
85.06565	0.9
86.42416	0.4
87.04491	1.0
91.03953	2.4
91.05479	6.8
93.07058	5.8
95.04977	2.8
95.08600	2.6
97.02905	5.7
97.06546	1.4
97.10194	1.4
99.04475	1.2
100.55548	0.5
101.02411	2.0
103.04002	0.6
105.07037	5.5
106.07400	0.5
107.04987	1.6
107.08598	4.0
109.02879	0.8
109.06528	1.2
109.10155	2.7
111.08105	0.9
117.07084	0.8
119.08570	3.3
121.06510	1.1
121.10126	2.5
123.08078	0.9
123.11720	0.7
125.09655	0.9
127.03968	2.0
129.05550	0.5
129.07060	1.2
131.08578	3.2
133.10132	3.6
135.11694	1.0
137.09622	0.5
145.10155	0.8
147.08095	0.6
147.11722	1.9
149.09691	2.7
149.13326	0.6
157.10197	1.6
159.11604	0.5
163.11197	0.8
173.11790	0.9
175.11255	0.8
184.07385	1.0
189.11313	0.7
193.12337	1.5
223.13377	0.9
225.15056	0.6
229.14438	0.9
243.08472	3.4
257.19250	0.5
259.20609	0.6
267.16089	2.1
269.17496	0.6
275.20166	0.9
283.15326	2.0
291.19592	1.4
301.09082	0.7
331.18979	1.6
339.17917	0.8
369.26688	0.7
387.21823	0.9
463.89502	0.6
469.20541	0.5
501.23199	10.7
544.37482	0.5
549.18829	0.8
549.26660	5.2
562.38538	1.1
639.29858	0.8
657.34106	1.2
809.42963	100.0
810.43073	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	807.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	25.5
57.07077	3.4
65.03925	7.9
67.05509	83.8
68.05852	3.2
69.03437	4.7
69.07072	25.4
70.06590	2.6
71.05006	4.4
79.05497	45.9
81.03402	4.2
81.06593	3.7
81.07063	55.7
83.04976	5.8
83.08595	8.0
85.06542	12.9
85.07668	4.8
91.05496	38.7
93.07049	34.6
94.07377	4.1
95.04381	3.0
95.04977	51.0
95.08607	39.2
97.06533	7.8
97.10121	4.0
98.21529	5.3
98.54269	2.5
105.07034	28.2
107.04934	9.5
107.08599	24.0
109.05801	4.0
109.06524	63.0
109.10150	15.0
111.08067	3.3
113.06012	25.1
117.07008	11.7
119.08569	16.5
121.06489	8.2
121.10134	12.1
123.08100	5.5
123.11704	4.6
124.27125	2.5
129.06990	8.0
131.08566	19.0
133.06442	5.0
133.10106	14.0
135.08057	49.0
135.11678	9.3
137.05914	2.7
143.08549	7.2
145.10123	11.9
147.08017	6.8
147.11693	8.1
149.09604	10.7
149.13275	6.4
157.10120	7.3
159.11639	4.2
160.60527	2.6
161.09608	9.4
163.11171	4.6
171.11649	4.3
173.13318	3.8
175.11172	4.0
180.41576	2.6
184.07338	7.3
187.11288	3.9
199.14752	4.6
201.12712	3.8
203.99899	3.1
217.15935	12.3
219.13889	3.3
227.12558	3.2
227.17909	2.7
255.17513	2.6
271.57620	2.4
273.18527	37.3
274.18823	3.4
275.19931	5.4
291.19571	100.0
292.19824	6.8
335.25781	8.4
336.26224	3.3
337.27377	66.1
347.22171	10.3
349.23288	3.4
365.23260	19.3
540.91919	2.5
569.41888	3.0
609.45062	12.7
610.46191	2.8
627.46161	66.6
628.46216	5.1
708.10120	2.9
716.05505	2.7
781.34259	2.7
807.51459	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	808.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	23.1
59.04994	3.9
65.03947	7.3
67.05513	100.0
69.03426	14.7
69.07067	34.3
69.21019	12.8
69.21435	19.3
70.06603	7.0
70.76274	3.9
71.04990	10.7
73.02927	6.2
79.05068	6.9
79.05501	87.4
81.03416	27.8
81.07069	91.9
81.08650	3.4
83.04980	23.9
83.08644	27.0
85.02911	10.6
85.06532	5.7
91.05492	67.4
93.07047	69.3
95.04993	22.8
95.08618	42.7
97.02893	12.6
97.06540	23.1
97.10169	24.3
99.04448	4.5
105.04530	5.9
105.07049	50.8
107.04984	20.7
107.08609	59.2
109.02910	4.2
109.06526	8.3
109.10167	30.6
109.23512	3.4
111.04450	12.9
111.08085	8.6
111.47627	3.5
117.06296	3.6
117.07000	21.5
119.08596	32.8
121.06496	10.3
121.10165	28.2
123.04442	5.2
123.08096	3.8
125.09654	19.7
127.03922	6.8
128.06235	4.0
129.06973	9.2
131.08606	27.0
133.10129	25.9
135.08072	13.7
135.11687	19.3
137.05962	4.0
137.09637	4.9
141.07025	5.1
143.08565	10.5
145.10139	31.1
147.08063	5.5
147.11684	14.5
149.09660	13.5
153.12706	4.3
154.11015	3.8
155.08612	5.4
157.10127	7.2
159.11713	12.5
161.09703	4.1
161.13306	8.1
161.68541	3.9
163.11172	22.0
169.10114	5.2
171.11566	4.2
173.09671	5.9
173.13194	4.3
175.11130	4.9
177.12807	4.4
181.12216	5.1
184.07408	6.7
189.11261	13.7
191.10626	11.4
195.13693	3.8
209.11765	28.9
227.12819	28.6
229.14316	7.8
257.19019	13.5
269.17532	19.9
275.20117	35.8
283.15439	18.6
301.16507	42.1
317.11807	4.3
349.23663	26.4
459.27896	4.9
463.27191	6.0
477.28372	13.0
481.28214	5.5
495.29431	27.3
511.29611	5.3
557.34888	11.0
575.35907	34.1
593.36731	14.0
618.64984	3.8
793.57611	4.3
841.23083	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	806.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.5
57.07076	1.6
60.08143	1.4
62.50769	1.0
63.14763	1.1
65.03934	2.2
65.99588	1.0
67.05511	42.9
69.03448	1.5
69.06731	1.4
69.07072	19.4
71.04974	2.6
79.05501	31.1
81.03429	3.2
81.07065	47.9
83.04992	2.9
83.08630	7.6
85.06551	1.3
86.09721	8.3
91.05489	36.2
92.05767	1.2
93.06492	1.6
93.07055	32.0
95.01323	3.9
95.04981	6.7
95.08617	28.8
97.02894	1.7
97.06533	11.6
97.10145	1.6
98.98407	1.1
103.05480	2.0
105.07039	42.2
107.04959	9.0
107.08598	16.1
109.06446	2.5
109.10165	8.8
113.09675	1.1
117.07032	8.3
119.08603	23.7
121.06525	1.4
121.10159	9.9
123.04422	1.2
123.08133	2.2
123.11716	1.7
125.00002	4.5
129.06989	1.9
131.08565	13.1
133.10150	21.5
135.08058	2.8
135.11700	5.1
137.09608	1.4
143.08609	1.8
145.10161	10.5
147.11729	6.8
149.09625	3.2
149.13243	2.9
151.11205	1.4
157.10086	1.6
159.11667	7.0
161.13243	3.7
163.11140	1.3
169.10129	1.4
171.11783	1.2
173.13269	2.2
177.12657	2.1
179.14333	7.8
183.10249	1.0
183.11716	1.6
184.07344	27.4
189.12703	1.2
229.19542	1.5
244.32057	1.1
257.19028	3.6
275.20105	39.0
276.20483	1.7
293.20950	1.2
322.77396	1.1
335.25836	68.3
336.25998	1.7
349.23740	18.1
609.45178	100.0
610.44952	4.8
806.37128	1.6
806.51282	15.9
807.51178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	24.1
57.07072	2.5
59.05004	2.4
61.02921	3.1
65.03939	2.6
65.85120	2.1
67.05510	81.0
69.03428	9.2
69.07079	30.8
69.41640	4.8
69.42057	11.4
69.46954	2.1
71.05012	11.4
76.31465	2.1
79.05499	68.8
81.03425	100.0
81.07063	80.1
83.04993	17.5
83.08620	36.2
85.02911	6.4
85.06538	7.0
86.02303	2.2
91.05489	61.3
93.07047	57.1
95.04975	41.8
95.08614	37.8
97.02890	7.6
97.06520	16.1
97.10172	26.9
99.08124	3.9
105.04519	4.9
105.07037	58.3
107.04966	16.3
107.08601	46.4
109.06525	12.7
109.10149	21.4
111.04462	4.4
111.08080	11.2
115.05399	2.4
117.07029	22.1
119.04980	2.8
119.08598	42.0
121.06506	9.4
121.10160	25.0
123.04441	4.4
123.08067	6.4
123.11710	5.7
125.09641	23.4
128.06239	3.4
129.07005	20.8
130.28804	2.2
131.08571	32.8
133.06465	5.4
133.10141	31.0
135.08060	8.8
135.11702	14.0
137.09647	6.7
141.07021	2.8
142.07797	2.6
143.08562	10.8
145.06519	6.7
145.10146	18.8
147.08070	8.4
147.11693	21.0
149.09634	16.6
149.13257	7.6
151.11218	5.0
155.08525	7.1
157.10126	20.0
159.08041	3.7
159.11748	13.0
161.09651	3.5
161.13278	4.0
163.11194	11.9
165.12759	3.3
169.10217	4.8
171.10281	3.5
171.11700	6.2
173.09578	5.9
173.13310	5.5
175.11241	14.8
177.12776	7.2
181.10068	4.0
181.95604	2.3
183.11639	2.5
185.13263	5.6
187.11215	4.4
189.11177	11.2
193.12289	28.7
193.90446	2.4
195.11726	3.0
195.13771	3.4
197.13319	3.5
199.14850	2.7
205.12340	2.4
211.13139	3.1
215.14539	2.6
217.15938	4.5
227.12753	22.9
229.14395	7.2
249.14827	4.6
255.15910	11.1
257.19043	4.7
267.13080	4.0
267.15942	83.6
269.17432	20.6
275.20151	29.0
285.16779	2.9
291.19586	5.5
293.21094	3.4
299.20108	3.3
315.23447	3.2
317.16260	2.8
331.22675	3.2
349.23746	28.1
367.24854	3.5
387.25305	2.7
403.24606	3.0
406.52448	2.5
421.25842	3.5
437.25647	7.3
443.27826	8.6
447.27258	28.2
449.30707	4.1
459.27200	5.3
461.29083	64.5
467.31403	5.4
477.28336	3.8
485.32645	2.6
493.31552	8.3
523.34399	3.1
541.35382	60.6
542.35272	4.8
559.36377	20.2
573.37524	3.5
591.38574	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	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.2
59.05009	8.1
61.02929	7.1
65.03944	5.6
67.05511	100.0
69.03448	7.6
69.07072	39.1
71.05002	29.4
71.52093	2.0
73.02920	3.2
79.05499	56.0
81.03423	18.1
81.07065	99.8
82.07374	1.6
83.04991	10.5
83.08630	13.7
85.02924	7.6
85.06537	9.9
87.04478	8.2
91.05489	68.2
92.05795	1.9
93.07053	55.0
93.94167	1.5
94.07372	2.0
95.04975	12.0
95.08612	39.4
97.02902	5.1
97.06542	11.4
97.10162	10.4
99.04501	4.5
99.08095	3.7
103.05499	1.8
105.04556	1.6
105.07040	49.9
107.04961	9.1
107.08595	27.4
109.06532	7.9
109.10168	36.6
111.04455	3.2
111.08087	6.4
115.05410	1.7
117.07029	15.2
119.08595	33.3
121.06505	4.1
121.10148	17.2
123.08066	6.1
123.11701	15.1
125.06076	1.6
125.09608	7.7
127.03983	2.3
128.06253	2.8
129.05472	2.2
129.06972	9.1
130.07841	1.8
131.08589	22.6
133.10146	30.9
135.08087	5.7
135.11722	9.6
137.09593	9.9
141.07005	2.0
142.07796	2.6
143.08580	8.0
145.06572	2.0
145.10156	15.4
147.08070	2.2
147.11708	18.4
149.02333	2.8
149.09618	18.1
149.13249	5.6
151.11179	8.9
153.12701	1.9
155.08563	2.7
155.10664	2.6
157.10117	8.6
159.11699	12.3
161.09694	2.6
161.13295	5.5
163.11174	8.3
165.12791	2.4
169.10106	4.3
171.11699	5.7
173.04407	2.0
173.11772	8.3
173.13300	5.7
175.11194	4.3
177.12790	3.3
179.14282	3.2
180.74330	1.7
183.11687	3.0
183.13820	6.1
184.07491	3.8
184.12672	2.0
185.13266	4.5
187.13298	5.6
187.14859	3.3
189.11221	2.8
189.12773	2.1
193.04997	2.7
193.12259	4.2
195.13786	4.1
199.13286	2.9
201.14870	1.8
209.13422	2.1
211.13242	2.1
223.13184	3.3
225.14914	2.4
227.12816	7.0
229.14351	15.5
229.19720	2.0
241.19487	2.0
243.15941	5.1
256.26532	1.8
257.17145	2.7
257.19348	1.9
259.20621	6.1
267.15891	13.5
269.17542	7.3
273.18549	2.8
275.20096	21.1
283.15494	2.7
285.16962	8.5
287.20178	2.4
291.19415	7.6
301.19992	11.0
313.21756	2.7
333.24316	2.2
336.84872	1.6
349.23795	17.1
365.23395	2.0
387.26010	1.6
397.26096	7.6
403.28442	2.1
411.27295	4.9
423.27725	2.7
439.26923	4.3
453.27997	1.9
455.30301	13.6
489.35831	2.4
499.34192	1.7
517.35266	30.5
523.34320	2.1
531.36578	4.7
533.34595	3.5
541.35321	5.9
543.36932	13.0
552.75745	1.9
575.39526	12.1
609.35870	2.8
626.42822	1.9
806.37427	3.7
807.43652	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	806.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95315	2.4
57.03449	23.3
57.07076	3.0
59.05000	6.0
61.02916	7.9
65.03937	9.2
67.05509	100.0
68.05826	3.8
69.03419	9.2
69.07074	29.3
69.25850	22.7
71.04998	14.7
71.08629	2.1
73.02895	4.4
77.03934	2.8
79.05499	80.1
81.03425	87.5
81.06586	4.9
81.07062	91.7
82.03737	3.3
82.07407	4.0
83.04987	18.0
83.08622	31.2
85.02890	10.3
85.06529	6.7
87.04463	10.1
91.05486	80.6
92.05811	4.4
93.06485	4.6
93.07054	76.2
94.07358	2.8
95.04983	38.6
95.08614	41.7
97.02891	8.1
97.06525	11.1
97.10145	14.8
98.21551	4.3
103.05413	3.6
105.07039	73.6
106.07349	4.0
107.04943	15.1
107.08603	42.7
108.08916	2.2
109.06499	8.4
109.09474	3.6
109.10167	41.4
110.10551	3.2
111.04431	3.5
111.08075	9.5
115.05475	4.6
117.07026	29.4
119.08583	55.9
121.06510	8.1
121.10152	26.1
123.08042	6.3
123.11710	7.8
125.09660	13.7
127.03887	3.6
128.06227	6.2
129.05522	3.2
129.07021	27.5
131.08575	36.1
133.06487	7.2
133.10155	40.6
135.08067	7.8
135.11687	13.1
137.09682	5.2
141.07011	5.0
142.07788	5.3
143.08607	14.7
145.06453	2.6
145.10165	23.4
146.10548	2.7
147.08055	5.3
147.11694	26.9
149.09673	13.6
149.13264	8.3
151.11130	6.4
155.08553	8.8
157.10143	21.0
159.11726	18.4
161.09616	3.8
161.13275	10.3
163.11156	10.6
165.12781	2.8
167.08594	3.5
169.10172	11.3
171.11641	13.6
173.09666	3.3
173.11723	7.2
173.13293	11.8
175.11182	13.6
175.14865	4.7
177.12724	3.0
181.10098	5.1
183.11699	7.3
185.13307	9.4
187.11249	3.8
187.14743	3.1
189.11209	5.9
189.12825	3.8
193.12262	25.3
197.13327	4.1
199.13139	2.7
199.14861	5.1
207.11729	2.6
209.13275	4.9
211.13264	14.6
215.14380	2.8
227.12762	8.7
229.14334	20.2
241.19418	6.4
249.14989	2.5
253.14368	4.8
257.18854	2.9
259.20761	12.0
267.15921	53.6
269.17429	8.5
275.20020	14.8
285.17041	6.6
293.21014	9.7
301.13934	2.8
301.21762	2.7
313.21640	3.3
333.24286	10.7
343.22415	2.8
349.23721	7.0
356.58875	2.5
367.24704	5.2
369.24158	4.4
421.25769	6.5
433.30737	2.8
435.27097	2.9
439.26935	7.2
443.27863	4.1
451.32141	3.8
459.26913	3.1
461.28979	19.4
465.27896	3.0
487.34222	2.9
493.31506	2.6
525.35803	19.2
541.35138	9.1
543.36829	39.0
559.35730	13.8
575.39221	5.0
608.43689	4.2
609.36554	3.6
626.44611	9.7
644.46332	3.2
719.14368	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	806.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	23.4
57.07064	1.8
59.04998	3.2
59.10558	1.4
60.50495	1.3
61.02925	4.6
65.03944	3.1
67.05510	100.0
69.03428	6.1
69.07078	19.7
71.01334	2.2
71.04993	10.4
74.83995	1.4
79.05495	47.7
81.03421	74.7
81.07062	61.1
82.07389	2.5
83.04986	22.9
83.08620	31.1
84.15072	1.5
85.02911	32.1
85.06552	4.5
86.09739	2.0
87.04477	4.2
91.05484	50.2
93.07053	35.8
95.04971	30.7
95.08616	24.3
97.02930	8.2
97.06534	9.1
97.10169	14.1
98.21542	3.4
99.04478	2.5
105.04493	2.0
105.07037	35.6
107.04973	10.4
107.08601	24.5
109.06551	5.8
109.10164	55.2
111.04445	4.3
111.08088	14.7
113.06005	2.6
117.07062	7.5
119.08582	28.6
121.06544	2.1
121.10156	14.3
123.08064	5.5
123.11681	2.9
125.09633	15.9
127.03870	1.5
128.06227	2.7
129.05524	3.7
129.07001	11.0
131.08556	16.7
133.06508	3.1
133.10139	19.1
135.08063	2.5
135.11679	4.8
137.09616	5.0
142.07799	4.3
145.10176	8.3
147.08092	3.8
147.11694	14.5
149.09648	8.5
149.13231	1.5
151.11244	3.0
153.12801	2.3
155.08528	1.7
155.10645	3.9
157.10130	15.6
159.11707	3.5
163.11203	7.4
165.12852	3.5
167.10744	1.4
171.11798	1.8
173.09523	2.0
173.11745	16.0
175.11174	19.5
181.12289	2.2
184.07339	2.0
191.10695	2.0
193.12259	50.5
199.13319	5.2
209.11731	5.0
211.13298	74.2
227.12801	8.8
229.14368	43.4
253.14389	4.0
265.14474	1.6
267.15924	32.3
283.15536	5.1
285.16980	54.0
285.93109	1.6
286.17514	1.9
301.16394	9.8
330.40033	1.5
349.23880	2.8
399.23804	14.1
409.26007	3.4
421.25958	10.2
427.26907	3.1
439.26941	35.5
493.27795	2.6
511.29337	8.6
529.29816	1.7
539.73047	1.6
541.34772	1.7
559.35962	3.4
591.35199	1.8
609.36371	33.3
676.33978	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	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	1.9
57.03446	22.3
57.07064	2.8
65.03942	7.1
67.05508	83.1
69.03425	2.6
69.07069	14.8
69.94282	5.7
71.04984	3.7
76.83534	1.3
79.05494	48.9
81.03410	4.4
81.07062	59.7
83.04971	3.5
83.08625	7.2
84.08126	1.3
85.06548	11.2
86.09696	2.3
91.05484	37.2
93.07045	45.4
95.04976	61.3
95.08617	33.1
97.02945	1.4
97.06536	7.3
97.10107	2.5
103.05462	2.2
105.07040	27.3
107.04953	8.0
107.08601	29.2
109.06522	59.8
109.07266	3.4
109.10168	10.7
111.08070	3.7
113.06014	28.6
115.05460	3.7
116.06264	2.2
117.07028	13.2
119.08595	17.1
121.06517	5.1
121.10139	12.1
123.08070	4.3
123.11695	2.7
128.06204	1.7
129.07004	6.0
131.08569	21.5
133.06458	2.9
133.10124	12.5
135.08067	45.9
135.11716	10.0
137.09674	2.4
141.06985	2.4
142.07806	1.7
143.08563	10.9
143.83754	1.4
145.10117	11.7
147.08063	6.3
147.11688	5.3
149.08571	1.4
149.09625	6.0
149.13275	4.7
155.08487	1.3
157.10130	5.1
159.08060	2.0
159.11671	6.6
161.09610	7.0
161.13264	2.4
163.11195	3.3
163.70647	1.3
165.08931	1.5
169.10118	1.5
171.11644	3.0
173.13275	4.6
175.11159	2.1
177.12756	3.8
181.10048	1.7
184.07379	4.7
185.13303	2.6
195.11728	2.1
195.13676	1.9
199.14891	3.0
201.12775	3.1
217.15952	13.3
227.17873	1.8
233.15208	1.5
245.19038	2.2
255.17517	4.1
261.22205	2.4
273.18503	38.5
275.20078	1.9
291.19556	100.0
292.19864	2.2
309.20416	2.7
317.18268	1.3
335.25824	86.3
336.26080	3.1
347.22214	10.5
365.23306	13.3
401.42499	1.3
522.44867	1.7
567.39850	1.6
607.43555	13.4
608.44446	1.4
608.56195	1.4
623.08203	1.6
625.44672	62.4
626.44672	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	804.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.0
57.06831	2.8
57.07080	37.9
57.12416	2.1
65.03926	3.7
67.05192	3.3
67.05512	44.5
69.03418	7.7
69.07087	14.4
69.07399	3.4
71.04987	6.3
71.08638	28.1
71.51613	2.7
74.09722	3.6
74.45226	2.1
79.05499	27.2
81.03416	9.5
81.07063	55.6
83.04979	12.5
83.08625	20.0
85.02905	6.5
85.06525	2.1
85.10184	15.8
86.09714	2.4
89.06044	2.4
91.05492	21.6
93.07053	30.7
95.04937	4.4
95.08610	33.0
97.02925	3.9
97.06516	3.2
97.10148	7.6
99.08072	6.6
105.07021	12.1
107.08603	14.5
109.10161	15.0
111.08070	4.0
117.07022	5.0
119.08547	6.7
121.10156	13.4
123.11690	6.6
124.99969	2.5
127.03970	3.7
129.06978	3.4
131.08554	6.0
133.10117	9.1
135.08105	2.3
135.11676	5.9
142.54089	2.0
145.10101	4.1
147.11676	3.7
149.13306	7.3
151.11174	5.8
159.11649	5.5
161.13213	4.0
163.11198	5.0
179.14333	2.7
184.07426	10.3
195.13858	3.8
227.12823	3.9
239.23740	4.0
259.20615	4.5
269.17511	31.0
277.21640	8.1
313.27371	61.3
351.25339	16.7
354.38370	2.1
413.21771	4.3
507.40497	100.0
508.40625	5.3
589.48499	14.1
607.48114	2.5
651.44617	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	11.1
58.14444	1.1
61.02905	1.1
65.03938	4.0
67.05510	41.3
68.05826	1.2
69.03439	7.9
69.06738	1.7
69.07076	21.5
71.05002	3.3
79.05499	34.5
81.03423	64.7
81.07059	31.4
83.05000	7.9
83.08620	19.4
84.08155	7.1
85.02897	1.6
85.06532	1.4
91.05485	35.0
93.07049	29.3
94.07330	1.3
95.04976	24.3
95.08611	16.7
96.34781	1.1
97.02903	9.4
97.06547	6.4
97.10170	11.7
99.04495	1.4
99.08102	1.1
105.04530	1.1
105.07038	27.1
106.07404	1.3
107.04952	13.1
107.08607	20.5
109.02825	1.7
109.06532	5.9
109.10143	13.7
111.04436	2.4
111.08104	6.6
115.05438	2.7
117.07017	7.6
119.04935	1.6
119.07823	1.4
119.08597	21.5
119.09411	1.0
121.06535	6.7
121.10147	11.6
123.04442	1.8
123.08121	5.3
123.11704	1.4
125.09657	7.8
128.06235	1.7
129.07004	10.4
130.07692	1.5
130.08624	10.1
131.08577	14.1
133.06506	5.3
133.10139	15.5
135.08069	6.3
135.11674	5.2
137.09608	3.1
139.11119	1.3
141.07019	1.3
142.07828	2.6
143.08562	5.2
145.06494	1.7
145.10126	7.4
147.08049	7.7
147.11694	8.3
149.02492	1.1
149.09631	6.7
149.13257	1.6
151.11195	4.5
155.08537	1.8
156.02881	1.2
157.10124	12.1
159.08139	1.2
159.11717	5.4
161.09642	3.3
161.13263	1.3
163.11165	3.8
164.10062	1.3
165.09193	1.7
165.12735	1.3
169.10095	2.3
169.12303	1.2
171.10223	1.5
171.11665	1.4
173.09528	1.4
175.11201	7.2
177.12762	1.8
187.11171	1.5
189.11208	4.9
193.12254	15.4
205.12282	1.5
211.13225	1.7
213.12880	1.5
219.13731	3.3
223.13289	15.8
227.12767	9.1
227.17984	1.2
233.15419	1.5
249.14812	4.0
253.14330	9.5
263.16489	1.1
263.20078	1.4
267.15924	78.1
273.18506	12.2
275.20203	2.5
283.15445	2.1
289.18036	1.4
291.19565	72.4
292.19873	1.9
293.28040	1.3
330.86304	1.1
333.46103	1.2
347.22147	3.3
348.22186	1.1
365.23251	41.1
366.23514	2.2
389.23102	1.4
437.24680	1.4
445.25400	6.5
459.27402	5.0
463.27017	1.6
477.28329	4.9
483.31064	1.4
488.27347	1.3
539.33405	8.8
557.34778	100.0
558.34912	5.1
575.35858	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	803.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	19.6
58.58161	2.6
59.05009	3.0
61.02925	8.3
65.03947	6.1
67.05508	100.0
69.03448	19.9
69.06735	3.2
69.07079	41.8
71.05001	10.7
71.08624	2.5
73.02911	4.5
74.70304	2.3
78.84282	2.3
79.05497	76.4
81.03425	35.8
81.07061	94.0
83.05003	16.1
83.08640	17.2
85.02901	13.0
85.06557	6.8
91.05486	77.1
93.03389	2.6
93.07050	67.7
95.01306	2.4
95.04977	22.1
95.08614	52.6
95.43686	2.2
97.02906	19.3
97.06538	27.1
97.10172	15.4
99.04475	6.2
103.05445	3.9
105.07034	70.4
106.32400	2.3
107.04968	21.4
107.08601	45.9
109.02885	9.5
109.06526	15.5
109.10163	35.7
111.04467	4.9
111.08096	8.1
115.05459	3.7
117.07023	29.6
119.08585	47.5
121.06521	10.2
121.10148	22.5
123.08052	13.4
123.11697	8.7
125.09663	14.1
127.03918	10.0
128.06229	3.3
129.05525	5.1
129.07011	17.1
131.08583	35.3
133.06503	5.3
133.10143	37.6
135.08076	14.6
135.11668	12.9
137.09612	9.7
139.11206	3.0
141.06998	3.7
142.07710	3.4
143.08588	15.4
145.06502	4.7
145.10138	32.8
147.08067	3.8
147.11696	23.8
149.09627	21.4
149.13281	8.0
151.11238	5.4
153.09094	2.7
155.08589	11.4
155.10643	2.5
157.10098	14.5
159.08080	6.1
159.11693	21.0
161.09618	7.6
161.13222	6.8
163.11191	15.4
165.09174	3.0
165.12778	2.4
167.08524	2.9
169.10110	10.6
169.12216	2.9
171.07983	2.8
171.11681	9.2
173.04477	10.6
173.09634	4.4
173.11876	4.8
173.13286	14.8
175.11224	6.5
175.14932	4.5
177.12799	7.1
179.14262	3.3
181.10176	4.2
181.12247	3.1
183.11723	11.2
185.09541	2.8
185.13260	10.4
187.11176	3.7
187.14841	4.0
189.09056	2.3
189.11264	5.8
189.12738	4.0
193.12283	4.7
195.11716	2.6
197.13194	4.4
199.14867	4.2
211.14793	5.1
213.16370	2.5
215.14403	3.1
217.15990	2.8
219.13901	2.5
227.12735	12.2
229.14250	11.8
229.19504	5.0
230.02998	2.8
237.16457	3.9
239.18007	8.7
247.20482	4.7
257.19052	19.6
267.15945	10.1
269.17374	2.6
273.18463	4.3
275.16977	3.8
275.20062	78.3
291.19589	5.2
293.21127	8.4
328.76730	2.7
349.23792	39.8
367.24741	5.5
395.29474	3.5
406.59882	3.4
445.29431	5.3
503.33685	3.8
513.36249	2.9
519.32678	2.9
525.36084	3.2
543.37036	12.5
549.39752	4.9
557.34637	6.0
605.41522	3.7
623.43256	34.8
641.44135	33.5
687.40710	6.2
771.53119	2.9
785.47455	4.4
803.48346	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	803.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	15.2
57.07063	5.0
58.21688	3.1
61.02925	4.1
61.94385	3.5
65.03944	7.8
67.05505	86.8
69.03437	23.4
69.07072	45.7
70.90749	8.1
71.04995	14.4
73.02927	5.2
79.05496	80.8
80.01510	3.1
81.03419	45.5
81.07056	100.0
83.04988	17.5
83.08629	32.6
85.02910	16.5
85.06547	4.3
91.05486	97.0
93.07046	78.8
95.01333	7.5
95.04965	18.7
95.08611	58.5
97.02899	17.5
97.06540	38.1
97.10167	32.9
99.04444	4.6
99.08092	6.0
102.37064	3.3
105.04581	4.6
105.07033	91.7
107.04976	21.3
107.08590	55.9
109.02909	6.2
109.06506	14.1
109.10152	34.6
111.04511	5.4
111.08093	12.2
115.05414	7.7
117.07012	34.5
119.08585	66.5
121.06508	9.7
121.10178	18.2
123.04420	4.9
123.08047	8.6
123.11725	6.1
125.09637	27.1
127.03925	8.6
128.06247	8.2
129.05431	3.8
129.07007	24.6
131.08572	53.1
133.06493	4.2
133.10138	41.5
135.08072	13.7
135.11676	18.1
137.09644	6.8
141.07019	7.2
142.07817	4.9
143.08568	18.2
143.10597	3.7
145.06519	4.3
145.10146	47.8
147.08092	12.1
147.11662	29.3
149.09630	16.3
149.13264	10.2
151.11220	4.3
153.09088	6.2
155.08563	15.3
157.10143	26.0
159.08098	4.9
159.11684	27.9
161.09532	4.5
161.13280	13.3
163.11189	10.9
167.08586	7.3
169.10176	16.2
171.10353	6.2
171.11636	22.5
173.04433	8.0
173.09630	5.2
173.13274	14.6
175.11284	6.7
175.14862	5.2
179.08620	5.0
179.14288	7.8
181.10158	6.0
183.11694	9.3
185.09694	4.5
185.13258	15.9
187.14877	6.7
189.11267	10.1
193.10158	4.1
193.12331	10.8
195.11646	7.1
197.13298	11.7
199.14780	8.6
209.13266	8.4
211.13164	7.1
211.14896	9.2
213.12776	6.9
215.14436	4.5
223.14865	4.7
227.12796	16.1
227.18053	5.5
233.13518	3.7
239.18030	7.1
241.19562	9.5
245.18901	4.7
257.19086	16.7
259.20386	21.3
267.15933	8.4
273.18558	10.8
273.22104	3.5
275.20044	69.4
276.20587	3.8
285.16870	6.0
291.19568	37.8
301.21823	4.1
313.21716	5.5
333.24280	16.6
349.23895	25.5
365.23306	11.7
379.29999	6.2
380.33875	4.1
413.21872	6.6
513.36316	8.2
525.35706	11.7
529.35254	6.0
531.37543	4.6
543.36859	41.8
557.37048	4.2
605.41815	12.5
623.43060	52.3
624.43219	7.8
641.44012	29.5
687.40521	13.2
722.88501	5.3
749.46021	6.8
767.47540	6.1
785.47626	11.7
831.44775	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.5
58.20340	2.2
61.02928	3.9
64.38414	2.5
65.03953	5.0
67.05510	57.4
67.34589	2.4
69.03430	10.1
69.07079	34.2
71.05001	6.1
73.02905	2.3
76.83488	2.5
79.05501	54.7
80.00023	2.1
81.03425	30.3
81.07066	74.9
83.04977	8.8
83.08617	12.3
83.59203	2.5
84.08173	2.6
85.02905	6.5
86.09683	2.6
91.05491	63.3
93.06483	3.4
93.07053	49.2
95.01310	4.9
95.04974	18.2
95.08614	39.6
97.02897	9.6
97.06538	62.7
97.10152	5.8
98.21483	6.7
99.04454	4.7
103.05463	6.2
105.07037	74.0
107.04959	22.3
107.08601	27.9
109.02872	5.4
109.06522	7.0
109.10178	15.9
111.04475	2.1
111.08085	3.0
117.07020	20.7
119.08592	51.2
121.06497	8.0
121.10165	13.8
123.04418	2.8
123.08058	5.1
123.11682	3.1
125.09656	7.4
127.03935	5.7
128.06139	2.7
129.07021	7.4
131.08560	25.5
133.06593	2.8
133.10146	39.9
135.08064	6.8
135.11691	9.0
137.09622	6.1
139.07532	3.0
141.06999	3.9
143.08553	7.7
145.10132	21.3
147.08136	3.7
147.11682	19.7
149.09642	17.1
149.13278	5.0
151.11215	6.4
155.08592	3.8
157.10133	8.1
159.11726	15.1
161.09641	4.0
161.13266	6.7
163.11191	8.3
165.09093	3.2
169.10170	8.7
171.11714	7.1
173.04501	5.3
173.09642	2.9
173.13304	8.2
175.11163	2.9
177.12657	4.0
179.14345	14.3
183.11633	4.3
184.07359	8.9
187.11201	4.7
187.14888	3.1
197.13319	4.8
227.12814	4.3
229.19447	3.6
239.18021	4.6
247.20605	3.5
251.16362	2.8
257.19180	11.8
269.17508	3.0
275.20090	100.0
276.20453	5.3
291.19543	4.6
293.21118	8.4
303.25644	2.6
333.24194	3.1
335.26028	2.4
349.23785	58.9
389.79999	2.4
413.21848	3.8
445.29962	3.5
460.85016	2.5
503.34393	2.9
511.28702	3.1
527.37152	5.7
543.36774	24.6
565.39008	2.5
593.17004	2.9
607.43262	3.6
623.43146	33.7
641.43622	10.3
687.40869	9.5
767.47272	3.3
803.59460	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	17.5
57.07075	5.2
59.05003	2.7
61.02922	7.1
65.03941	8.3
67.05508	90.1
69.03436	22.1
69.07071	42.4
71.04985	9.3
73.02891	3.2
79.05498	66.5
81.03426	27.7
81.07060	100.0
83.04990	20.3
83.08624	18.5
85.02898	14.4
85.06549	7.1
87.04465	2.9
91.05483	86.9
93.07047	73.0
94.07365	2.8
95.04967	17.2
95.08617	58.7
97.02892	15.1
97.06519	17.1
97.10182	8.7
98.21478	4.7
99.04463	3.4
99.08106	4.7
103.05477	4.3
105.04513	3.6
105.07037	78.4
107.04974	17.2
107.08604	42.9
109.02864	7.8
109.06525	9.6
109.10168	33.5
111.04494	4.7
111.08086	7.4
115.05458	5.6
117.07018	33.9
119.08581	48.9
120.83580	2.6
121.06511	8.7
121.10155	21.0
123.04420	6.3
123.08078	11.4
123.11717	6.6
125.05997	2.9
125.09635	10.3
127.03936	8.1
128.06232	5.7
129.05489	2.8
129.07014	24.6
130.07787	3.4
131.08583	43.8
133.06483	6.9
133.10146	50.6
135.08034	13.1
135.11674	15.0
137.09583	6.2
141.06985	7.5
142.07800	7.2
143.08563	26.6
145.06516	5.1
145.10118	36.0
147.08061	8.8
147.11693	24.7
149.05933	2.7
149.09619	14.2
149.13245	6.0
151.11189	7.9
155.08536	13.6
157.06467	3.8
157.10138	23.8
159.08072	6.1
159.11707	31.3
159.67851	2.9
161.09607	7.8
161.13258	10.8
163.11179	8.6
165.12796	2.9
167.08554	7.4
169.10153	14.5
171.08060	7.0
171.11687	20.4
173.04462	8.1
173.09662	9.3
173.13237	14.0
175.11273	4.3
175.14848	5.5
177.12694	3.6
179.08449	2.9
181.10150	10.8
182.10970	2.9
183.08163	2.6
183.11691	14.5
185.09703	2.8
185.13211	13.4
187.11192	4.2
187.14818	7.5
189.11201	3.0
189.12759	3.8
193.10164	3.8
195.11697	6.8
197.13278	11.4
199.11159	5.2
199.14774	8.6
201.12686	2.7
207.11647	5.0
209.13286	5.5
211.14865	6.4
213.16357	5.0
215.17900	2.5
217.16022	3.6
219.11795	3.6
221.13185	5.0
223.11267	4.0
223.14806	4.6
225.12770	2.9
225.16328	5.0
227.12769	4.5
227.18013	4.3
239.17943	3.9
241.19539	4.8
247.20453	3.6
253.14400	11.2
257.19067	9.1
259.20587	8.1
263.20065	3.9
273.18524	11.5
275.20093	31.9
277.21521	3.6
287.19992	2.7
291.19574	12.6
293.21030	2.7
297.22052	3.2
299.19949	3.7
301.21655	4.7
333.24469	12.6
347.22256	6.3
349.23862	16.8
365.23227	10.9
409.31042	5.4
437.30209	3.2
451.32205	4.1
483.34845	5.8
487.34351	26.4
499.33347	2.9
501.35620	16.3
503.37225	5.5
511.34055	7.7
513.36432	5.3
525.35889	10.0
529.35248	10.0
531.38300	7.3
543.36847	11.1
549.39362	5.6
561.37903	3.6
595.43256	3.3
605.42078	12.6
623.43140	45.5
641.44122	19.1
687.40356	3.2
749.46783	3.5
785.47284	5.9
803.48285	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
57.03431	13.9
57.07063	4.7
59.96022	3.1
61.02929	15.5
65.03928	6.2
67.05512	96.2
68.20454	3.0
68.75043	3.0
69.03429	19.7
69.07074	45.3
70.63981	9.5
71.03837	3.0
71.04990	8.4
73.02898	4.3
79.05070	5.6
79.05499	72.9
81.03429	29.4
81.07063	96.1
83.04966	15.9
83.08630	32.5
85.02915	18.3
85.06528	3.5
91.03945	4.2
91.05491	86.8
93.06479	5.4
93.07051	78.0
93.36158	3.0
95.04974	23.8
95.08064	4.9
95.08612	56.3
95.45061	2.9
97.02881	16.4
97.06541	15.5
97.10178	37.5
99.04465	7.0
99.08130	5.0
105.04531	4.4
105.06404	5.2
105.07044	74.9
107.04951	16.8
107.08602	48.5
109.02858	3.0
109.06525	11.8
109.10180	30.4
111.08087	8.7
113.09567	2.9
115.05443	7.0
117.07024	38.9
119.04939	3.6
119.08595	64.0
121.06536	7.4
121.10168	24.6
123.08073	14.5
123.11693	7.8
125.09633	28.2
127.03915	7.2
128.06212	7.9
129.05539	3.8
129.06999	30.5
131.01302	3.0
131.04991	3.3
131.08585	47.2
133.06522	5.3
133.10139	42.6
135.08026	15.8
135.11696	13.2
137.09622	7.0
141.07031	9.2
142.07738	4.6
143.08582	28.5
144.83324	3.6
145.06500	5.6
145.10139	36.5
147.08064	8.8
147.11703	28.2
149.09662	12.1
149.13264	7.0
153.09076	4.8
155.08540	21.4
157.10124	28.2
159.08073	6.1
159.11723	25.2
161.09654	4.5
161.13272	15.2
163.11154	6.8
164.71085	3.6
165.09178	4.4
166.07727	4.9
167.08563	6.8
169.10143	22.4
171.10335	4.7
171.11647	17.6
173.13242	16.4
175.11192	8.9
175.14832	9.2
177.12807	6.6
179.08569	4.9
181.10109	12.9
182.10875	3.9
183.11696	15.3
183.65332	3.2
185.09622	5.6
185.13280	18.6
187.11206	7.2
187.14861	7.0
189.11255	14.6
189.12743	4.1
193.10190	7.0
193.12270	9.8
195.11723	11.8
197.13354	15.6
199.11194	4.2
199.14874	8.6
207.11700	5.4
209.13243	7.8
211.13205	5.3
211.14937	5.9
213.12817	4.8
215.17838	3.3
219.11687	4.5
221.13234	6.1
223.14999	5.1
225.16417	6.5
227.12720	23.8
236.56233	3.4
237.16498	6.4
239.18268	4.7
241.19592	12.5
245.13573	5.4
251.17831	3.4
257.18948	9.5
259.20572	23.2
267.15964	6.0
273.18481	10.5
274.33182	3.3
275.20267	15.9
285.22235	5.5
291.19611	45.8
301.21695	6.7
315.23199	4.3
321.22128	3.1
333.24258	12.8
349.23962	7.8
363.26868	4.2
365.23395	15.9
367.22937	4.4
375.25397	3.5
379.30087	6.7
451.32065	4.6
511.34097	9.7
513.36566	7.6
523.33929	3.5
525.36182	15.3
529.35260	6.8
531.38184	12.4
543.36938	24.6
549.38940	5.7
555.36139	4.8
572.59906	3.8
605.41998	18.3
623.43079	100.0
624.43610	5.9
641.44214	44.7
717.37610	7.5
731.44360	5.9
749.45923	6.8
785.47046	10.6
803.47961	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	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	24.0
57.07063	3.4
57.97297	3.1
61.02920	10.1
61.15948	2.9
65.03936	7.2
65.57916	2.8
67.05512	84.8
69.03420	7.6
69.07086	17.8
71.04993	6.3
73.02921	4.0
79.05501	58.3
81.03429	13.7
81.07069	65.1
83.04990	5.4
83.08613	12.7
85.02935	6.7
85.06541	8.6
91.05490	65.9
91.43593	3.4
93.07053	57.1
95.01363	3.4
95.04972	56.8
95.08618	42.0
97.02887	3.4
97.06522	8.4
97.10177	5.9
105.07041	60.9
107.04975	18.3
107.08617	32.0
109.06534	58.9
109.10143	9.9
113.06006	30.1
115.05446	4.3
117.07047	27.9
119.08601	30.2
119.09380	4.4
120.08895	3.9
121.06541	9.0
121.10142	17.9
123.04493	3.6
123.08051	10.6
123.11692	3.5
128.06210	4.1
129.07045	20.6
130.07735	2.9
131.08594	46.5
133.06483	3.1
133.10156	30.4
135.08060	35.4
135.11681	16.0
137.09586	4.4
141.07022	6.8
142.07713	4.4
143.08556	24.9
145.06494	9.3
145.10144	29.7
147.07982	7.7
147.11682	21.3
149.09657	6.9
149.13290	8.2
152.56326	3.0
154.07945	4.5
155.08557	10.6
157.10143	16.9
159.11713	23.2
161.09627	7.6
161.13275	11.9
169.10106	10.6
171.11668	11.0
173.09616	3.3
173.13261	9.9
175.11232	4.4
177.12813	7.3
181.10141	4.6
183.11667	7.2
185.13306	11.0
187.11229	9.3
187.14796	5.8
189.12630	4.1
195.11769	6.7
195.13782	3.7
197.13269	3.6
199.14848	10.0
217.15929	10.2
225.16353	3.4
227.17880	3.7
241.19521	6.7
257.18863	5.9
259.20572	12.9
273.18533	23.4
275.20068	6.9
279.15964	28.7
291.19540	53.0
315.23141	6.0
327.26920	6.4
333.24225	29.3
347.22116	8.6
365.23529	15.5
513.37036	4.5
531.37793	3.7
543.36548	6.1
549.39038	4.6
605.41705	12.6
623.33386	5.8
623.43146	100.0
624.43292	7.2
641.44061	34.8
642.44098	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	803.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	18.9
61.02916	8.5
65.03947	10.2
67.05511	100.0
69.03438	30.3
69.06735	3.8
69.07077	43.6
71.04987	8.0
73.02913	6.2
77.03896	3.0
79.05495	81.5
81.03422	41.5
81.07063	96.1
83.04995	22.3
83.08643	17.2
85.02924	18.1
85.06550	6.4
90.23858	2.8
91.05489	74.6
93.07051	75.5
95.04980	19.0
95.08615	59.6
97.02896	16.2
97.06535	36.6
97.10187	17.0
99.04492	7.6
103.05499	5.5
104.78061	2.7
105.07036	72.7
107.04965	25.1
107.08606	52.0
109.02869	9.1
109.06511	16.1
109.10161	30.9
111.04449	6.3
111.08096	9.6
113.05984	3.0
115.05457	5.8
116.06303	3.3
117.07015	30.5
118.81554	3.0
119.08598	57.6
121.06501	14.3
121.10149	29.1
123.08092	8.7
123.11710	7.7
124.91768	2.7
125.05916	3.5
125.09641	12.0
127.03940	8.8
128.06245	7.6
129.05515	5.2
129.06978	15.5
130.07803	4.0
131.04929	3.6
131.08565	38.6
133.06529	9.4
133.10152	38.3
135.08070	13.9
135.11725	14.9
137.09575	7.2
139.07594	3.0
141.06995	7.1
142.07773	3.7
143.08540	17.4
145.06506	6.0
145.10136	40.7
146.46407	2.9
147.08099	10.2
147.11708	16.5
149.09621	28.5
149.13274	11.4
151.11163	7.3
152.06371	2.8
155.08557	8.8
157.10165	16.2
159.08040	6.4
159.11702	21.3
161.09657	6.0
161.13257	11.8
163.11201	15.3
165.12723	4.1
167.08702	3.7
169.10129	13.9
170.61484	3.3
171.10301	3.8
171.11664	15.5
173.04456	9.3
173.09558	6.6
173.11919	4.0
173.13240	17.1
175.11212	4.3
175.14859	4.1
177.12807	7.8
179.08586	2.9
181.10080	4.8
183.11678	10.9
185.13304	11.9
187.11226	5.6
187.14790	4.3
189.12779	4.0
195.11697	8.4
197.13326	6.3
199.14818	3.3
201.12810	4.2
209.13303	5.7
213.12804	4.2
213.16428	4.8
215.14304	3.4
217.15941	3.9
219.17429	4.5
227.12822	12.1
229.14400	11.3
229.19547	6.9
229.64789	3.2
239.18074	4.9
241.19595	3.4
247.20654	6.0
257.18973	16.7
259.20490	3.9
269.17465	10.3
273.18613	6.7
275.20096	82.4
291.19565	4.9
293.21155	8.3
349.23755	48.6
359.22250	3.2
433.83432	3.4
475.26929	4.0
493.27829	4.5
503.33295	4.8
527.36902	6.0
531.37750	3.7
543.36853	24.9
595.43109	4.0
605.41888	7.3
623.43103	33.6
624.43951	3.2
641.44562	23.0
647.51892	3.4
739.61896	3.4
767.46344	7.2
785.47589	5.0
803.48804	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	802.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	2.7
57.03444	26.8
57.07077	71.5
59.04970	1.7
61.02930	8.7
65.03931	5.7
67.05508	77.8
69.03436	12.6
69.06731	2.8
69.07072	36.7
70.06623	1.7
71.04981	5.9
71.08634	45.7
71.16360	3.8
73.02923	3.8
75.04456	1.6
76.68487	1.7
79.05496	66.5
81.03419	10.9
81.07059	84.8
83.04993	9.9
83.08622	26.0
85.02901	8.2
85.06526	4.0
85.07645	4.7
85.10186	20.5
86.09716	4.2
88.07624	1.8
89.06018	2.2
89.41246	2.0
91.03969	2.6
91.05483	67.1
93.07047	70.3
93.07636	3.9
95.04981	13.7
95.08612	64.0
97.02913	9.6
97.06531	8.1
97.10174	12.7
99.04506	1.8
99.08090	4.3
103.05441	3.1
105.04562	2.0
105.07038	69.5
107.04947	8.4
107.08598	32.4
109.02850	1.8
109.06509	4.6
109.10165	25.3
110.75507	1.8
111.04436	3.9
111.08095	4.6
115.05436	3.6
117.07026	22.4
119.08588	49.5
121.06499	3.2
121.10152	22.5
121.85117	1.8
123.08066	5.2
123.11726	7.4
125.09632	2.0
127.03921	5.2
128.06192	3.5
129.05537	3.9
129.07002	10.3
131.08582	27.5
133.06471	1.9
133.10143	35.4
135.08051	2.6
135.11690	13.9
137.09575	3.4
137.13274	2.1
142.04048	1.6
142.07790	3.0
143.08574	7.5
145.04971	3.4
145.10118	19.8
147.11699	27.6
148.11948	1.7
149.09636	9.8
149.13268	13.7
150.42868	1.4
157.10141	7.9
158.76338	2.1
159.11708	19.7
160.92966	1.6
161.13287	15.1
163.11212	6.1
163.14809	2.2
169.10139	2.8
170.16409	1.6
171.11726	11.5
173.13272	7.2
175.14824	4.6
177.12692	3.3
179.14359	4.9
183.11697	3.1
184.07339	5.9
185.13217	6.2
195.13750	4.0
199.14775	5.2
203.14435	2.3
217.15840	2.4
229.19632	2.3
231.21147	5.1
239.23749	7.3
241.19534	17.5
257.19022	6.9
259.20587	56.3
269.17496	12.0
275.20062	16.0
293.17712	1.8
293.20920	2.6
313.27380	100.0
314.27606	4.2
315.22949	3.5
333.24228	32.0
349.23645	9.1
437.59003	1.6
507.40561	46.3
554.95471	1.7
571.46991	10.7
587.46533	7.5
589.47980	17.6
605.47699	3.1
630.48242	2.9
711.63824	2.0
738.01703	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	802.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73001	0.9
57.03443	7.0
57.07079	21.6
59.05014	1.0
64.01281	1.0
65.03934	1.5
67.05506	30.3
68.25060	1.0
69.03416	4.5
69.07073	10.6
69.15504	10.2
69.15919	2.5
71.04989	2.5
71.08303	1.3
71.08640	15.6
79.05497	36.0
79.23022	0.9
81.03410	3.1
81.07058	21.2
83.04965	2.9
83.08150	1.7
83.08625	22.8
85.02898	2.3
85.06533	2.1
85.10187	8.7
91.05488	16.4
93.07043	13.1
95.04990	2.1
95.08073	1.2
95.08618	18.4
97.02926	1.4
97.06512	2.1
97.10173	36.8
98.20735	2.2
102.68076	1.0
103.07572	1.1
105.07030	17.7
105.22820	1.0
107.04937	3.1
107.08595	45.2
109.02843	1.9
109.06516	1.1
109.10158	12.7
111.08057	2.0
117.07025	5.8
119.08569	8.8
121.10126	4.2
122.12949	1.1
123.11680	4.0
125.09637	36.5
125.10568	1.8
127.03917	2.7
131.08565	5.0
133.10138	9.6
135.08035	4.3
135.11668	2.4
143.10710	1.4
145.10121	12.3
147.11696	7.0
149.09625	4.8
153.09076	2.0
157.10075	1.7
159.11673	3.9
163.11102	1.5
169.10217	1.1
171.10271	5.3
171.66690	1.3
173.13307	2.2
184.07475	1.2
187.11200	1.4
189.11230	17.5
197.13303	1.0
213.11145	1.0
215.14543	1.0
218.25526	1.1
225.67969	1.1
227.12790	100.0
228.13173	2.0
229.19514	1.3
239.17996	4.1
239.23674	2.5
244.35654	0.9
255.16025	1.2
257.19019	11.0
257.24295	1.0
275.20059	46.5
276.20486	2.0
313.27374	72.4
314.27570	1.7
331.22687	8.8
349.23740	41.0
389.17871	5.1
483.36792	9.4
536.52155	1.1
569.45502	2.3
587.46698	58.2
588.46796	3.4
605.47162	3.0
612.50476	1.4
627.40326	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	802.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.7
57.07079	46.2
60.31271	1.7
61.02898	3.5
65.03912	3.6
67.05508	57.7
69.03439	8.6
69.06724	2.3
69.07076	30.2
71.01347	2.6
71.04975	3.6
71.08633	31.8
79.05071	2.9
79.05502	38.3
80.69443	1.5
81.03429	13.1
81.07061	75.0
83.04984	7.4
83.08625	21.5
85.02897	6.8
85.06532	3.7
85.09814	1.4
85.10194	16.5
86.69202	1.7
89.06046	1.9
91.05484	34.0
93.07050	38.9
95.04987	8.9
95.08611	41.3
97.02880	5.1
97.06529	15.2
97.10175	8.6
98.20730	3.4
99.04449	2.8
99.08085	3.7
105.07037	24.9
106.07315	1.8
107.04942	5.6
107.08596	27.4
109.06496	4.9
109.10162	18.9
111.08061	4.6
111.11674	2.3
115.05548	1.8
117.07043	12.8
119.08586	19.6
121.06506	4.4
121.10155	10.4
121.30537	1.7
123.11680	8.6
125.09650	4.4
127.03909	5.9
129.05467	3.3
129.06989	4.4
131.08571	15.7
133.10136	19.1
135.08032	3.8
135.11716	11.4
137.09601	2.5
137.13242	3.1
139.11066	1.7
143.08565	2.9
145.10129	13.4
147.11696	10.5
149.09624	12.0
149.13290	10.9
155.08513	1.7
157.10078	3.8
159.07974	1.6
159.11720	12.0
161.13350	3.5
163.11171	5.6
165.12785	1.9
169.10063	2.3
171.11638	4.1
173.13228	4.4
175.11194	2.8
177.12756	4.6
181.12198	2.0
184.07335	1.7
195.12125	1.8
195.13811	6.1
197.13257	1.8
215.02328	1.5
217.15924	3.1
227.12791	3.3
229.19258	2.1
233.83551	1.6
239.18066	3.3
239.23723	6.1
247.20609	2.7
251.16379	1.6
255.15918	17.4
257.19006	10.7
257.24716	1.7
267.15884	2.3
269.17523	34.6
275.20084	28.1
291.19385	2.1
293.21030	3.7
309.20633	1.7
313.27377	100.0
314.27725	4.2
331.22662	2.2
349.19827	2.5
349.23770	30.9
367.25018	3.9
413.21518	2.1
493.38943	22.1
507.40500	94.7
508.40430	5.7
567.79810	1.8
587.38263	2.1
587.46851	31.7
605.47284	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	801.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.9
57.07063	3.5
59.06114	1.6
61.02930	12.9
67.05509	23.8
69.03435	7.6
69.07069	10.5
71.01368	0.9
71.08619	1.7
73.02930	6.4
73.20989	1.0
79.05495	14.2
81.03417	3.5
81.07062	21.6
81.97306	1.0
83.04962	1.3
83.08626	5.7
85.02913	10.0
85.06542	1.6
86.09711	1.9
87.04498	0.9
91.03965	7.4
91.05482	13.8
93.07053	16.2
95.04958	2.4
95.08615	15.2
97.02901	10.3
97.06544	2.2
97.10159	3.2
99.04461	1.1
99.38760	0.9
101.02374	1.7
101.07146	3.2
103.05468	0.8
105.07039	12.3
107.04986	1.0
107.08617	8.8
109.02886	1.4
109.10160	6.0
115.05440	1.1
117.07011	7.6
117.82137	0.8
119.08582	10.1
120.08916	0.9
121.10146	6.8
123.08044	0.9
123.11687	2.7
124.99998	1.8
125.09654	1.4
127.03912	2.3
128.06227	2.4
129.07002	5.6
131.08575	13.9
133.10159	6.4
135.11670	4.5
137.13203	0.8
141.06972	3.1
142.07764	1.3
143.08557	10.6
144.09271	0.8
145.10136	12.6
147.11710	4.8
149.09613	0.9
149.13257	1.1
155.08559	6.9
157.10139	11.2
159.11694	6.6
160.11182	1.0
161.13243	1.6
165.16379	1.0
167.08565	1.8
169.10196	6.2
171.11682	7.8
173.13249	6.4
175.14787	1.7
181.10124	3.5
183.11691	8.2
184.07367	6.2
184.08736	0.9
185.13274	7.2
187.14828	3.5
189.16423	1.7
195.11703	2.6
197.13269	4.6
199.14865	4.4
201.16370	1.8
203.18092	1.3
207.11688	2.0
209.13281	3.1
211.14760	3.3
213.16379	1.9
215.17989	1.9
221.13304	1.3
223.14786	2.0
225.16455	2.4
227.18024	2.0
229.19539	1.5
237.16428	1.3
239.17963	1.4
241.19646	2.0
253.19630	1.0
275.20068	1.7
279.39700	0.8
281.22675	1.3
313.27386	1.1
368.87598	0.8
529.44049	1.0
541.38971	1.1
547.44885	3.6
565.45825	3.7
569.42120	1.2
586.45410	1.7
603.47321	1.2
611.48419	1.7
621.48773	6.0
637.47833	1.8
639.49872	100.0
640.50244	6.9
783.53888	2.7
801.55225	17.0
802.54852	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	801.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	14.6
57.07083	2.9
61.02916	4.7
65.03944	7.5
67.05510	100.0
69.03434	39.2
69.07075	50.6
71.01372	4.0
71.04984	9.3
73.02922	4.4
75.08306	2.3
78.20932	2.5
79.05501	84.8
81.02988	5.0
81.03426	60.3
81.07063	78.0
83.04993	16.9
83.08625	20.6
85.02901	11.5
85.06522	4.0
91.05493	83.7
93.06483	5.3
93.07053	75.8
95.04975	26.9
95.08613	47.9
97.02902	26.6
97.06532	18.7
97.10178	20.8
99.04457	9.6
99.08060	4.4
102.28947	2.6
103.05511	3.4
105.07031	58.1
107.04972	19.9
107.08611	40.3
109.02865	15.2
109.06538	10.0
109.10165	26.4
111.04444	11.2
111.08108	6.8
115.05445	6.1
117.07027	33.2
119.04967	5.2
119.07786	5.0
119.08584	48.2
121.06518	11.5
121.10147	23.2
123.04404	4.7
123.08065	11.4
123.11698	6.4
125.09649	20.0
127.03925	18.7
128.06238	9.0
129.05505	3.7
129.07040	20.5
130.07704	2.3
131.08578	35.2
133.06493	8.7
133.10149	28.0
135.04350	3.0
135.08063	14.9
135.11694	10.3
137.05980	5.5
137.09616	11.8
139.03864	2.5
140.70888	2.7
141.07005	7.6
142.07729	2.6
143.08572	15.3
145.06476	9.4
145.10127	30.5
147.08075	11.9
147.11732	22.0
149.09604	15.0
149.13260	7.5
151.11203	3.9
153.09145	3.2
153.12781	3.3
154.07834	3.5
155.08575	11.7
157.10129	18.5
159.08037	4.2
159.11688	16.0
161.09642	5.7
161.13249	6.7
163.07564	3.6
163.11191	8.9
165.06990	4.1
165.09090	3.6
169.10133	10.7
169.12309	2.9
171.10262	3.9
171.11734	10.5
173.04488	18.8
173.09695	3.9
173.13316	5.7
175.11172	9.2
177.12749	7.3
179.14507	2.7
181.10127	6.2
183.08028	3.4
183.11688	7.2
185.09587	5.6
185.13289	7.1
187.11217	7.1
189.11244	16.6
189.12727	4.2
195.11713	5.0
195.13719	2.9
197.13240	6.4
199.14836	2.9
201.12744	3.7
205.12119	5.4
209.09705	2.7
211.11188	3.5
217.12253	2.9
223.13326	11.5
225.11099	5.2
227.12759	19.5
227.17967	3.7
229.19582	3.0
233.15363	3.8
239.17897	6.1
245.13803	4.8
245.19162	2.9
249.14877	3.5
257.19034	10.0
263.20285	2.8
269.17319	3.8
273.18536	26.0
275.20071	48.6
291.19589	84.7
293.21179	5.0
331.22937	2.9
347.22128	7.7
349.23840	15.3
358.88547	2.7
365.23328	19.1
419.24487	4.0
541.35321	8.9
559.36243	16.5
585.38446	2.8
621.41235	12.8
639.42505	37.0
703.40723	7.8
783.46411	8.0
796.62054	3.4
801.36139	2.8
801.47839	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	31.2
57.07070	3.4
61.02918	4.5
65.03626	1.7
65.03938	12.6
67.05507	100.0
68.05824	1.6
69.03427	25.4
69.07071	26.2
69.25185	10.9
69.25597	3.5
71.01341	1.9
71.04997	10.4
73.02905	2.3
77.03925	2.0
79.05495	71.8
81.03422	42.2
81.07059	80.4
83.04990	16.1
83.08619	11.0
85.02902	10.7
85.06548	12.9
91.05481	76.9
93.07047	63.0
95.04971	82.1
95.08610	40.0
97.02908	15.1
97.06531	14.7
97.10164	8.3
99.04452	8.4
99.08066	3.7
101.02393	2.4
103.05495	3.6
105.04501	2.7
105.07034	53.9
107.04956	23.9
107.08601	35.9
109.02890	8.6
109.06520	56.2
109.10157	15.8
111.04434	7.5
111.08083	6.6
113.06014	34.2
115.05446	6.1
116.06208	3.7
117.07014	31.9
119.04935	3.7
119.08579	38.8
119.09378	3.3
121.06520	13.5
121.10145	18.5
123.04415	3.3
123.08100	8.9
123.11700	6.7
125.06004	2.7
125.09638	5.7
127.03945	8.1
128.06244	7.7
128.26390	1.4
129.05487	4.2
129.06998	18.0
130.07828	1.9
131.04910	3.4
131.08580	37.1
133.06477	9.0
133.10132	28.1
135.08061	44.9
135.11700	17.1
137.05972	1.8
137.09589	4.1
141.06984	6.2
141.09012	1.8
142.07782	2.9
143.08551	22.8
145.04980	1.8
145.06462	8.8
145.10130	29.5
147.04329	2.6
147.08034	9.6
147.11696	12.4
149.05939	2.5
149.09633	16.0
149.13246	10.2
151.11150	5.5
153.07048	1.8
153.09084	3.9
155.07372	1.9
155.08572	9.0
156.09372	2.3
157.06442	1.8
157.10146	16.6
159.08017	8.5
159.11668	17.1
161.09602	11.2
161.13255	6.9
163.11151	7.5
165.06894	2.5
165.09097	3.4
165.12817	2.5
167.08533	4.0
168.09384	2.3
169.10124	8.8
171.08003	2.4
171.11662	11.0
173.04436	11.1
173.09595	5.8
173.11873	2.4
173.13248	7.8
175.11201	5.9
175.14850	2.1
177.09116	3.2
177.12802	9.5
179.14317	2.2
181.10170	5.5
183.11673	7.2
185.09619	3.0
185.13287	6.1
187.11215	6.8
187.14775	2.4
189.11171	4.1
189.12714	3.6
189.16492	1.8
193.10159	2.6
195.11652	5.1
195.13762	1.6
197.09555	3.4
197.13269	5.2
199.11166	3.4
199.14815	6.1
201.12779	3.7
209.13287	3.5
213.12743	2.6
217.15819	13.2
225.11194	2.1
227.12761	4.0
227.18004	3.0
227.57495	2.1
231.13666	1.8
233.15390	3.3
237.16460	2.6
239.17931	2.3
241.14256	2.5
243.12131	2.3
245.19052	4.4
247.17029	3.8
251.16457	2.1
255.17337	3.9
257.19028	9.2
269.17471	8.4
273.18506	49.2
275.20062	31.7
279.15900	6.2
289.17932	4.8
291.19553	90.0
292.19803	2.9
293.20963	2.2
299.20139	2.4
305.24353	1.7
309.20932	1.8
329.21005	2.3
331.22580	3.0
333.24255	1.9
347.22247	16.2
349.23868	11.4
365.23431	11.9
399.21362	2.2
401.23563	2.0
419.24258	2.3
493.28403	4.1
501.32129	2.0
527.33429	3.1
529.36108	2.7
541.35248	18.5
559.36377	12.4
621.41528	20.4
639.42505	19.5
703.39978	3.2
729.42896	2.6
747.45135	2.2
758.22211	2.0
765.45386	2.2
783.46686	7.9
801.47931	8.7
802.47223	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	800.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03225	1.4
57.03435	14.0
57.07079	9.0
61.02915	1.9
67.05508	59.3
69.03442	9.3
69.07072	49.3
71.04978	3.8
71.08611	4.4
71.22917	3.7
79.05495	42.5
81.03427	8.5
81.07060	72.5
83.04987	8.0
83.08627	26.6
85.02893	5.9
85.06532	3.3
85.10175	2.4
91.05484	27.3
93.07051	51.5
94.94443	1.5
95.04979	8.1
95.08610	36.5
97.02892	3.4
97.06537	15.6
97.10163	14.1
98.42641	1.6
99.08086	3.2
100.29274	1.8
105.04533	2.4
105.07043	19.1
107.04949	6.6
107.08601	30.0
109.06528	2.7
109.10180	13.2
111.08066	6.7
111.11740	2.3
114.48930	1.7
117.07029	9.3
119.08596	15.5
121.06494	2.8
121.10149	26.1
122.10532	1.7
123.08060	2.9
123.11715	5.5
125.09621	4.0
127.03949	2.3
129.07007	3.9
131.08588	15.1
133.10133	13.9
135.08090	3.0
135.11682	17.7
137.13290	2.8
139.11206	2.8
143.08612	2.7
145.10138	11.3
147.08112	1.5
147.11702	6.5
149.09608	7.0
149.13269	14.2
159.11719	9.5
161.13188	2.3
163.11130	4.8
163.14815	2.0
169.09955	2.2
173.13208	4.2
175.11295	1.7
177.12732	3.7
184.07361	6.1
195.13756	5.7
199.14801	2.1
219.21169	3.4
227.12759	4.5
229.19638	2.0
233.76213	2.1
237.22096	3.8
239.17891	2.4
247.20583	2.6
255.15959	14.1
257.18958	7.0
267.15894	1.8
269.17450	34.1
275.20047	26.6
293.21265	2.3
311.25800	100.0
312.26373	2.4
331.22614	3.0
349.23807	28.5
367.24768	4.4
413.21457	2.5
465.36020	3.1
491.37360	21.6
505.38901	89.3
506.39093	5.2
545.40918	2.7
549.30994	1.6
585.45178	30.5
586.45374	3.7
603.45612	6.9
631.85590	1.8
638.46252	1.9
649.42798	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.8
57.07079	34.6
58.06604	1.2
61.02920	1.3
65.03942	2.8
67.04805	2.2
67.05510	65.9
69.03436	6.1
69.07068	23.0
69.17764	7.8
69.18196	4.1
70.06573	1.4
71.04989	4.5
71.08638	23.8
73.37914	1.3
79.05496	31.3
81.03416	6.8
81.07061	70.6
83.04986	11.1
83.08621	14.0
85.02897	2.5
85.06564	6.0
85.07706	1.7
85.10186	12.0
91.05484	51.8
93.07049	36.0
95.04975	10.1
95.08611	32.0
96.94488	1.3
97.02895	1.4
97.06512	6.7
97.10176	5.6
99.04478	2.0
99.08109	1.8
103.05468	1.5
103.07565	1.3
105.04571	1.4
105.07035	45.3
107.04979	9.0
107.08601	33.0
109.06541	7.5
109.10165	56.8
111.04450	1.5
111.08096	4.3
113.05997	2.6
113.47928	1.2
115.05459	1.5
116.07076	1.6
117.07022	8.6
119.08591	13.2
121.06511	9.9
121.10163	8.1
123.04424	1.9
123.08083	4.5
123.11700	11.6
125.09597	1.3
127.07590	1.7
128.06226	1.8
129.07011	4.4
131.08559	13.0
133.06535	6.8
133.10136	65.6
134.10493	1.5
135.08058	9.9
135.11722	5.8
137.09612	3.1
139.07594	1.5
143.08577	7.5
145.06477	1.9
145.10126	8.7
147.08026	5.7
147.11708	4.6
149.09595	8.5
151.11197	32.6
151.12379	2.3
157.10130	4.3
159.08099	3.2
159.11732	3.3
161.09666	9.9
161.13281	2.5
163.11200	2.2
169.10133	1.1
169.12250	4.5
171.11739	2.9
173.09686	2.0
175.11227	4.0
177.09117	3.1
177.12688	1.2
179.10693	1.4
181.12317	1.3
184.07378	4.5
187.11247	1.7
189.12761	2.0
192.95070	1.4
213.12901	1.2
214.76952	1.1
215.12781	3.6
223.13274	1.5
227.18042	2.0
239.23788	2.8
245.19022	7.7
251.12692	6.6
253.14363	100.0
254.14774	1.4
255.17442	3.1
257.24835	1.6
263.20084	6.4
273.15524	2.3
273.18494	41.1
291.19565	36.9
309.20651	4.8
313.27371	65.8
314.27667	1.9
329.21265	1.9
347.22156	16.9
365.23251	45.4
366.23764	1.8
366.28510	1.6
398.66879	1.2
507.36801	4.0
509.38321	13.3
585.45074	6.7
603.46210	86.7
604.46478	4.4
621.47217	1.4
628.46033	3.3
629.47620	1.4
769.73315	1.4
789.75342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.4
57.07080	30.6
58.90017	0.8
60.08159	1.5
61.02932	1.3
65.03925	2.1
67.05206	3.6
67.05508	29.0
69.03426	8.3
69.07071	31.8
69.40814	7.3
70.06597	1.0
71.04978	1.9
71.08636	22.9
77.03917	0.9
79.05495	23.4
81.03420	5.0
81.07061	28.1
83.04977	3.2
83.08167	1.0
83.08628	17.6
84.37038	0.9
85.02890	1.5
85.06561	1.7
85.10188	12.5
86.09712	5.1
87.10027	1.4
89.06022	1.9
91.05485	14.8
93.07047	16.9
95.04959	7.8
95.08612	21.8
97.02894	8.1
97.06532	3.3
97.10177	15.7
98.20764	1.9
98.98495	1.2
103.07584	1.3
105.07034	13.7
106.45399	0.8
107.04967	6.6
107.05594	1.0
107.08609	12.9
109.06525	2.4
109.10157	12.9
111.08070	1.9
115.05471	1.0
116.07134	1.4
117.06995	7.5
119.04943	1.6
119.06024	1.1
119.08585	11.5
121.06503	3.3
121.10152	5.3
123.08070	3.1
123.11681	3.5
125.00005	5.0
125.09653	6.8
127.03770	0.9
128.06273	1.2
129.07010	2.8
130.07777	0.9
131.08572	6.0
133.06491	2.6
133.10120	5.3
134.07286	1.2
135.08067	3.0
135.11662	2.0
137.09610	1.9
137.13220	1.7
143.08592	2.9
145.10164	5.0
147.08080	5.6
147.11691	3.4
149.09608	2.1
149.13292	1.7
157.10112	2.5
159.07945	0.9
159.11690	2.9
161.09621	2.8
162.10316	0.9
163.11118	1.9
165.09103	1.9
169.12282	0.9
171.11737	0.8
173.11682	0.8
173.13185	0.9
173.37047	0.8
175.11249	1.9
177.12770	1.7
184.07344	15.2
185.07730	2.1
189.11220	2.5
205.12210	1.6
211.13310	1.8
223.13289	19.8
227.12798	4.3
239.23602	1.6
245.19099	1.4
249.14886	2.3
253.14487	1.1
257.24792	1.2
267.16068	1.0
273.18500	13.7
291.19556	100.0
292.19931	2.6
300.76556	0.9
309.20480	0.8
313.27377	77.3
314.27625	2.3
347.22021	2.4
365.23233	54.2
366.23526	1.6
505.39203	1.2
523.39661	2.9
563.39423	1.0
585.45038	1.3
603.46204	82.2
604.46417	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	799.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.4
57.07075	2.7
61.02645	1.1
61.02930	13.6
62.63974	0.8
65.03934	1.7
67.05508	26.7
69.03435	9.8
69.07072	11.8
71.01368	1.5
71.04995	2.3
71.08619	2.3
73.02917	8.5
79.05499	20.1
81.03421	6.7
81.07062	27.8
83.04982	2.4
83.08633	6.4
84.08148	1.0
85.02909	12.2
85.06534	1.7
86.09725	1.2
91.03963	7.8
91.05487	16.8
92.05808	0.7
93.07049	19.9
95.04961	3.1
95.08616	22.2
97.02898	12.2
97.06542	2.4
97.10171	2.7
99.04459	2.5
101.02384	2.7
105.04522	0.8
105.07034	16.5
107.04980	2.4
107.08597	12.5
109.02909	1.2
109.06513	1.5
109.10158	9.3
111.08033	0.9
111.11749	1.1
115.05502	1.6
117.07031	9.1
119.08585	14.7
121.06577	1.0
121.10154	5.8
123.08060	0.9
123.11704	2.9
125.00006	1.2
125.09646	1.1
127.03918	2.7
128.06248	3.3
129.07005	11.6
130.08676	1.9
131.08574	13.7
133.06499	1.1
133.10143	10.3
135.08083	1.5
135.11693	4.6
137.13319	1.7
141.07033	5.0
141.07967	0.9
142.07750	2.5
143.08571	12.0
144.09247	0.9
145.10139	13.3
147.11678	5.8
149.13248	1.9
151.11134	0.9
153.07002	1.1
154.07814	2.2
155.08562	11.7
156.09351	1.7
157.10149	12.1
159.11700	9.4
161.13278	3.2
163.11157	1.1
166.07785	1.0
167.08600	5.8
168.09377	1.5
169.10143	13.7
170.10818	1.2
171.11702	12.7
173.09694	0.8
173.13293	7.0
175.14851	1.1
179.08514	1.6
180.09410	1.0
181.10138	8.6
182.10930	1.6
183.11719	13.8
184.07416	3.0
185.13277	7.3
187.14850	3.5
189.16451	1.5
191.10648	0.8
193.10159	3.7
195.11702	7.4
197.13249	10.0
199.14851	5.1
201.16444	2.0
205.10217	1.0
207.11726	4.0
208.12471	1.1
209.11665	0.9
209.13329	6.2
211.14882	7.1
213.16431	2.8
219.11754	1.0
221.13234	2.4
223.14774	4.8
225.16440	3.8
227.18005	2.0
229.71040	0.8
233.13280	0.9
235.14789	2.7
237.16386	2.9
239.18011	2.3
249.16422	1.8
251.18022	2.5
253.19659	0.9
263.17892	0.9
265.19614	1.7
275.20154	1.2
279.21002	0.9
291.20633	0.9
295.77750	0.8
299.23907	0.7
307.19958	0.7
309.22107	0.9
323.23666	1.6
325.25497	1.0
327.22995	1.0
337.25192	1.2
339.26810	1.0
349.25275	0.9
351.26950	1.8
365.28339	2.1
367.26178	0.9
377.28503	1.5
379.30164	1.4
391.29883	1.3
393.31735	1.4
539.39417	2.8
543.40936	1.3
545.43604	6.0
563.44629	4.2
567.39850	1.7
568.40948	1.1
569.42603	1.2
581.45007	1.0
595.42841	1.4
619.47321	6.9
635.46283	2.9
637.48297	100.0
638.48822	8.3
679.49225	1.7
727.48273	1.1
745.50317	1.7
763.51404	1.6
781.52191	2.2
799.53912	20.7
800.53729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.4
57.07076	19.2
60.06425	0.6
60.08158	0.9
61.02916	1.1
65.03925	1.9
67.04797	1.3
67.05506	41.5
69.03419	3.8
69.07070	14.4
70.81620	1.3
70.81965	1.0
71.04982	3.8
71.08629	12.6
79.05019	0.7
79.05494	23.2
81.03422	3.9
81.07056	44.6
83.04980	7.1
83.08625	8.5
84.08160	0.9
85.02909	1.6
85.06551	3.2
85.10188	7.9
86.09703	5.7
89.06039	1.1
91.05480	35.5
93.07043	21.5
95.04975	6.2
95.08610	21.4
95.96653	0.6
97.02903	1.5
97.06546	3.2
97.10163	3.0
98.98470	1.0
99.04452	1.8
99.08084	1.1
101.06033	0.9
103.05487	1.6
105.04485	0.9
105.07033	31.0
107.04945	4.9
107.08591	24.2
109.02889	1.0
109.06522	4.1
109.10157	38.5
110.10462	0.9
111.04433	1.0
111.08076	1.6
113.05999	1.8
115.05434	1.1
117.06997	4.6
119.08567	7.3
121.06505	5.4
121.10145	4.7
123.04457	1.2
123.08031	1.8
123.11703	7.6
124.04606	0.6
124.99987	3.5
125.09583	0.8
127.07552	1.4
128.06224	1.2
129.07047	1.5
131.08591	6.9
133.06494	3.6
133.10132	43.5
134.10535	0.9
135.08057	4.9
135.11691	2.5
137.06017	0.7
137.09616	1.0
142.83324	0.7
143.08527	3.1
145.10123	3.3
147.08064	2.7
147.11670	2.3
149.09592	3.3
151.09959	1.3
151.11177	21.6
151.12372	1.3
156.09315	0.6
157.10150	2.5
159.08037	1.9
159.11684	1.5
161.09608	4.0
161.13231	1.2
163.11168	1.1
169.12250	4.8
171.11691	1.6
173.09599	1.0
173.13350	0.8
175.11147	1.9
177.09114	1.7
179.10701	1.5
184.07327	16.7
185.13174	1.1
189.12755	1.3
203.14319	0.6
213.16388	0.7
215.12799	2.0
227.17853	0.7
239.23822	0.9
245.18988	3.4
251.12720	4.1
253.14352	100.0
254.14690	2.2
255.17458	1.6
263.20105	2.3
273.18494	18.6
291.19519	18.1
309.20453	1.8
313.27368	44.4
314.27786	1.2
341.26871	2.1
347.22177	7.1
365.23227	24.9
489.09399	0.7
499.83072	0.7
507.36670	1.8
509.38391	15.0
510.38889	0.9
523.39655	1.0
538.21368	0.7
585.45129	4.1
596.69958	0.8
603.46185	51.6
604.46387	2.9
610.84644	0.7
628.45532	0.7
830.38733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
61.02927	8.5
67.05515	7.1
69.03431	4.5
69.07045	2.0
70.20606	0.7
71.01363	0.9
71.50737	1.2
73.02929	4.5
79.05494	4.9
81.03426	2.1
81.07059	5.5
81.92573	0.8
83.08648	1.5
85.02905	5.8
88.14912	0.8
91.03961	2.4
91.05492	3.4
93.07046	5.9
95.08607	5.1
97.02892	5.1
101.02431	1.4
103.03867	0.9
105.07031	1.2
107.08600	3.0
109.02869	1.4
109.10178	1.4
119.08616	1.8
121.10157	1.9
127.03909	1.5
131.08592	1.1
142.68060	0.8
145.10167	1.3
184.07419	2.9
243.08557	1.4
295.07651	0.8
359.23520	1.0
372.69626	0.9
519.29181	14.6
797.51776	100.0
798.52191	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	799.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
61.02950	5.2
62.22865	1.0
67.05505	7.7
68.68893	1.0
69.03437	3.7
69.07053	1.8
71.52008	1.7
71.64642	1.1
73.02921	4.6
77.33147	1.1
79.05518	4.2
81.03407	1.6
81.07072	6.9
83.08659	1.3
85.02911	7.2
85.07659	1.3
91.03967	3.6
91.05467	2.6
93.07071	3.5
95.08645	3.0
97.02911	7.0
97.07651	1.6
105.07026	1.2
107.08633	2.6
109.02903	1.7
109.10176	2.5
119.08615	1.9
121.10175	1.4
127.03912	2.5
133.10094	1.4
161.13255	1.3
163.37553	1.1
184.07462	2.2
194.43069	1.2
199.70398	1.1
243.08496	1.5
243.22359	1.1
263.01624	1.0
267.89404	1.4
519.29510	8.7
521.30914	5.3
799.53357	100.0
800.54083	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	799.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05694	0.6
57.03343	4.6
57.06981	2.7
61.02829	12.4
61.03181	2.5
65.03856	1.8
67.05405	21.5
67.05807	3.8
69.03325	7.0
69.06963	10.0
69.07367	1.3
71.01270	1.3
71.04899	1.4
71.08558	1.4
73.02810	7.6
73.03257	1.4
79.05377	14.1
79.05890	1.7
81.03300	3.8
81.06943	19.6
81.07455	2.5
83.04903	1.1
83.08509	6.3
85.02786	12.4
85.06441	1.2
85.60094	0.6
89.05904	2.2
91.03835	6.1
91.05362	14.2
93.06921	17.0
93.07552	1.5
95.04843	1.9
95.08480	18.9
97.02764	10.4
97.06410	2.5
97.10043	2.9
99.04344	1.3
101.02254	1.8
105.04425	0.9
105.06904	14.2
107.08466	11.8
109.02827	1.2
109.06444	0.9
109.10022	9.6
111.08012	1.0
115.05318	2.1
117.07024	9.1
117.07771	1.4
119.08586	12.7
121.06411	0.9
121.10137	7.5
123.07967	1.0
123.11556	2.5
125.09496	1.3
127.03793	2.8
128.06091	2.9
129.07004	9.4
131.08574	12.2
133.08466	2.0
133.10139	8.6
135.07985	0.9
135.11690	3.7
137.09570	0.8
137.13144	1.1
141.06987	4.5
142.07654	2.7
143.08568	13.2
144.09238	1.1
145.10124	12.3
147.11696	5.0
149.13144	2.1
153.06905	1.6
154.07640	2.1
155.08546	10.2
156.09219	1.8
157.10121	12.0
158.10745	0.9
159.11697	10.0
161.13277	3.2
163.14810	0.8
165.06862	1.5
167.08597	4.7
168.09186	1.8
169.10129	12.4
170.10751	1.2
171.11685	11.0
173.13289	4.9
175.14780	1.4
179.08406	2.0
180.09221	1.1
181.10143	7.4
182.10887	0.9
183.11694	13.9
184.07253	0.7
184.12213	0.8
185.11620	0.7
185.13234	7.3
187.14868	3.6
189.16365	1.1
193.10153	3.4
195.11719	7.8
197.13287	9.4
199.13040	0.7
199.14857	5.1
200.80440	0.8
201.16310	1.0
203.14282	0.6
205.09985	1.3
207.11548	2.5
209.13263	6.5
211.14819	6.3
213.16373	3.1
215.17915	1.1
219.11528	1.1
221.13298	4.0
223.14868	5.2
225.16443	3.7
227.17827	2.1
233.13211	1.4
235.14638	2.3
237.16405	3.2
239.17781	2.8
241.19507	1.3
247.14720	0.8
249.16243	1.9
251.17844	1.3
253.19429	1.4
265.19601	1.0
293.22366	0.8
311.23602	0.9
313.52374	0.6
321.22012	0.8
323.23560	0.9
325.25140	0.9
327.23102	0.8
337.25223	1.1
351.26556	1.7
365.28366	1.1
367.35681	7.8
368.36118	8.3
377.28143	0.7
381.27588	1.0
393.31772	1.1
475.35550	1.4
489.37344	1.0
501.36145	1.0
527.42926	0.7
529.38745	1.3
541.38635	0.7
543.40759	1.1
545.43445	5.9
549.39539	0.9
551.41223	0.9
555.40851	1.1
563.44818	3.7
567.40149	2.1
569.41943	1.4
595.43512	1.1
619.47290	6.3
635.46423	2.3
637.48267	100.0
638.48694	6.9
639.50037	1.1
649.48407	1.2
679.49176	0.9
730.68311	0.7
763.50659	0.9
781.52570	1.4
799.53522	21.5
800.54205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.0
58.06632	0.4
60.08166	6.3
67.05498	0.3
69.07081	0.2
70.06619	0.3
71.07373	4.1
74.66392	0.1
79.05493	0.1
79.33675	0.1
81.07050	0.3
86.09708	32.8
87.10026	0.2
91.05492	0.3
93.07051	0.2
95.08636	0.1
95.48191	0.1
98.20801	0.3
98.98470	3.9
104.10743	2.5
108.27010	0.1
119.08575	0.2
125.00010	23.5
143.01042	0.2
157.05977	0.1
159.67702	0.1
178.84271	0.1
184.07346	100.0
185.07681	0.7
265.60236	0.1
433.12106	0.1
778.53876	3.2
779.53632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
58.06624	0.4
60.08165	5.5
63.09555	0.1
67.05521	0.4
69.07091	0.2
69.19511	1.3
70.06591	0.2
71.06985	0.2
71.07375	3.7
79.05499	0.3
81.07063	0.5
86.09708	28.6
87.10056	0.2
91.05495	0.3
92.93975	0.1
93.07037	0.3
95.08579	0.3
98.20711	0.3
98.98472	3.5
104.10739	1.7
105.07028	0.2
107.08615	0.3
109.10136	0.2
119.08572	0.2
125.00009	19.8
130.23564	0.1
184.07344	100.0
185.07666	0.9
238.88496	0.2
253.14380	0.4
312.29449	0.1
439.19870	0.2
516.30365	0.2
778.53687	3.2
779.53229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
61.02933	5.3
65.02265	0.4
67.05506	6.0
69.03424	3.0
69.07076	2.9
69.38813	4.2
71.01334	0.7
71.04996	3.4
73.02918	3.7
74.75102	0.4
79.05497	4.3
81.03420	2.8
81.07063	8.5
83.08633	1.4
85.02914	4.5
85.06606	0.8
91.03948	2.5
91.05487	5.3
93.07045	4.8
95.05002	1.5
95.08634	2.6
97.02905	4.3
97.06555	1.7
97.55737	0.5
99.04473	1.2
101.02401	1.6
105.07046	2.6
107.04972	0.8
107.08588	2.9
109.02877	1.2
109.06551	0.8
109.10129	1.1
117.07026	1.1
119.08600	1.6
121.10150	1.1
123.08105	0.5
123.11787	0.9
127.03954	1.6
129.07059	0.8
131.08606	1.0
133.10123	3.3
135.11708	1.1
145.10229	1.1
147.79041	0.5
149.13309	0.7
151.11253	1.8
159.11787	1.1
172.86758	0.5
183.13905	0.9
185.04201	0.9
243.08406	3.0
257.17734	0.5
267.15894	0.8
333.20529	1.3
439.19305	0.7
453.21204	1.3
477.84286	0.5
485.23654	8.3
551.28467	5.0
615.40735	0.8
712.90228	0.6
795.45081	100.0
796.45654	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	795.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
59.04996	0.6
61.02652	0.5
61.02930	5.1
67.05501	3.4
69.03439	2.5
69.07072	1.3
69.77279	2.3
71.05003	1.4
73.02925	2.9
76.31048	0.5
76.33392	0.5
79.05501	4.7
81.03425	3.4
81.07066	5.0
83.04997	0.9
83.08646	1.0
85.02907	5.2
86.82608	0.4
91.03967	2.6
91.05485	4.8
93.07050	5.3
93.89932	0.5
95.04996	1.2
95.08629	2.0
97.02890	4.4
97.06535	0.5
97.15881	0.4
98.20770	0.5
99.04447	0.6
101.02422	0.8
103.03969	0.5
105.07070	3.5
107.08537	2.2
109.02917	0.6
109.10157	1.1
117.07067	1.0
119.08612	1.9
121.10188	1.9
127.03960	0.8
129.05475	0.6
129.07042	0.6
131.08556	2.1
133.10181	1.8
135.11705	0.9
147.11743	1.7
147.81604	0.4
149.09685	2.0
149.13335	0.8
161.13336	0.5
175.11130	0.6
184.07393	1.2
186.05531	0.6
193.12312	1.2
196.69557	0.5
198.40057	0.5
201.03674	0.5
203.05269	0.6
240.45361	0.4
243.08415	3.2
266.39792	0.5
267.15936	0.8
283.15140	4.5
301.09143	1.4
315.10736	0.8
323.18616	0.6
339.17776	0.9
358.86731	0.5
381.18884	1.0
414.07019	0.5
485.24149	0.7
501.23099	11.6
535.28790	6.1
551.27875	0.5
573.25348	1.3
795.45068	100.0
796.45190	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	795.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72984	0.6
57.03430	1.3
61.02933	4.9
67.05508	6.7
69.03437	4.1
69.07079	2.7
71.01363	0.5
71.04996	4.6
71.51534	0.8
73.02929	3.1
79.05500	4.5
81.03403	3.0
81.07063	7.9
83.04998	1.4
83.08617	0.9
85.02904	4.6
85.06539	0.6
91.03981	2.3
91.05489	5.7
93.07047	3.8
95.05003	1.0
95.08617	2.8
97.02882	4.3
97.06548	1.1
97.10163	0.6
99.04455	1.1
100.95425	0.6
101.02406	2.2
105.07046	2.4
107.08582	3.4
109.02893	1.2
109.06535	0.6
109.10186	1.4
115.03930	0.7
117.07042	0.9
119.08622	2.1
121.10155	1.5
123.11706	0.8
127.03980	1.3
131.08572	1.4
133.10153	3.3
135.11757	1.2
147.11734	1.0
149.13297	1.2
151.11194	1.1
159.11714	1.1
164.88902	0.5
177.12656	0.6
185.04181	0.7
187.13383	0.6
203.05363	0.7
243.08432	3.0
267.15872	1.1
325.93912	0.6
333.20398	1.6
385.12708	0.6
439.19675	1.4
453.20889	1.3
485.23529	9.1
522.96674	0.7
535.70154	0.6
551.28253	5.8
615.40564	1.3
633.41479	0.5
649.61670	0.6
666.82886	0.6
709.33508	1.1
795.45013	100.0
796.44928	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	795.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
57.07079	0.7
61.02935	4.5
62.97732	0.6
67.05512	6.1
69.03427	2.8
69.07086	2.8
71.05011	1.5
71.51566	0.8
73.02916	4.3
75.58382	0.5
79.05495	5.5
81.03415	3.2
81.07062	4.5
83.04987	1.6
83.08654	1.6
84.07747	0.6
85.02912	5.2
91.03960	3.0
91.05497	3.7
92.65713	0.7
93.07050	4.7
95.05002	1.7
95.08598	3.7
97.02888	4.9
97.06557	1.5
97.10209	1.0
99.04467	1.1
101.02393	1.9
105.07059	4.1
107.05020	0.7
107.08610	3.1
109.02892	1.0
109.06549	0.6
109.10172	1.5
117.07056	1.5
119.08581	3.4
121.10107	1.1
123.04425	1.4
125.09702	1.0
127.03935	1.9
129.05479	1.1
129.07036	0.9
131.08617	2.6
133.10164	1.9
135.11742	1.6
147.11748	0.9
149.09702	0.7
149.13319	0.9
157.10130	0.8
159.11748	0.8
163.11137	0.7
171.11728	0.8
184.07420	1.4
185.04266	2.4
193.12173	0.5
201.03766	0.6
243.08391	4.2
251.12659	1.4
265.14172	0.6
283.11438	0.7
301.08951	8.2
313.09140	1.2
315.10672	1.6
333.20520	1.9
341.12103	1.1
349.16464	1.2
373.11230	2.0
373.23404	0.7
383.16788	0.9
385.18539	5.5
395.16901	1.1
401.63782	0.6
417.21973	0.6
429.17508	1.7
439.19748	1.7
443.18982	1.8
453.21494	0.7
469.20627	5.0
481.20728	1.9
485.19894	2.4
487.21906	0.8
499.21387	1.1
515.34003	0.9
535.28937	1.8
541.22571	5.7
551.28345	6.2
583.30408	0.9
611.30518	0.9
612.31006	1.2
615.41205	1.4
623.30603	2.1
625.32214	1.7
633.36151	0.7
635.34656	0.7
637.32373	0.8
641.31940	1.4
651.34033	1.2
665.34692	0.7
667.33344	1.7
693.38629	1.9
697.34009	0.9
709.34125	10.5
723.40350	0.8
737.40839	1.3
749.40771	1.2
777.40350	5.5
795.41193	100.0
796.41504	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	794.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.8
57.07061	7.4
61.02916	4.9
65.03929	7.5
65.82805	2.3
67.05510	98.4
69.07069	36.0
71.05005	3.6
71.08619	5.5
75.02734	2.3
79.05497	56.1
81.06596	4.9
81.07063	100.0
83.08616	17.1
85.02896	4.5
87.04489	13.2
91.03967	4.0
91.05480	32.0
93.07044	55.8
95.04989	4.3
95.08610	78.7
97.06505	3.4
97.10178	10.6
101.81599	2.6
105.07038	27.2
107.08604	26.6
109.10164	30.7
110.07251	2.8
111.11745	3.8
113.09666	2.6
117.07043	3.0
117.51487	2.5
119.08582	22.4
121.10149	27.6
123.11736	15.0
125.09590	2.9
125.70676	2.3
129.07007	4.0
131.08554	11.7
133.10133	14.4
135.11691	15.6
137.13234	5.6
145.10130	11.1
147.11699	12.7
149.13274	8.7
151.14851	3.0
159.11693	6.3
161.13266	10.4
163.14835	8.2
173.13283	9.6
175.14799	6.7
177.16443	4.4
179.81837	2.8
183.00592	2.4
201.16269	3.2
222.71384	2.4
228.97128	3.9
241.19582	3.3
243.21011	5.7
245.22630	3.6
259.20502	5.1
261.22144	20.9
263.23764	4.5
290.72263	2.8
323.25421	3.3
333.24191	4.6
335.25845	74.7
337.27374	79.2
339.28976	4.4
597.48840	21.9
615.49963	18.3
674.67194	3.2
723.84821	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	793.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
61.02928	5.6
65.03950	1.0
67.05508	11.3
68.05827	0.6
69.03445	3.9
69.07065	4.7
71.04999	1.8
71.51564	1.1
73.02917	3.3
73.03300	0.7
77.63879	0.6
79.05496	12.0
79.05959	0.6
81.03429	4.7
81.07064	12.9
82.07400	1.0
83.04994	2.3
83.08636	2.5
85.02903	5.2
91.03934	3.2
91.05489	9.2
92.05841	1.0
93.07053	7.4
94.07401	1.6
95.04957	3.0
95.08624	6.3
97.02906	4.6
97.06563	1.8
97.10198	1.7
99.04506	0.9
101.02413	1.7
103.05547	0.8
105.07050	7.1
105.07698	0.8
107.04985	1.8
107.08613	5.7
109.02940	1.4
109.06552	1.0
109.10191	2.8
111.04494	0.8
117.07069	2.4
118.07344	0.7
118.24779	0.7
119.08583	5.8
120.08949	0.7
121.06551	1.3
121.10196	2.5
125.00081	0.8
125.09673	1.1
127.03938	2.6
129.07031	1.5
131.08603	2.2
133.10158	2.9
134.10527	1.0
135.08063	0.8
135.11751	1.7
142.44434	0.6
143.08583	1.5
145.10164	2.0
147.08041	0.8
147.11725	4.1
149.09657	0.8
159.11722	1.0
161.13367	1.0
163.11203	0.9
171.11737	1.9
178.03397	0.6
184.07452	2.2
189.11255	0.8
191.10701	0.7
193.12297	0.7
206.15181	0.6
229.14333	0.8
243.08426	3.7
247.13440	0.6
267.15909	0.7
268.16388	1.0
275.20255	1.7
276.20514	0.8
285.17194	1.6
286.17502	0.9
287.77371	0.6
301.16476	1.0
334.24890	0.7
350.24426	1.1
351.21671	2.3
400.18436	0.6
407.24329	0.9
462.29813	0.7
465.20981	11.0
480.30841	0.8
542.35535	0.7
559.36725	1.0
560.36981	2.2
569.29156	6.2
578.37366	0.9
614.40698	1.0
793.43457	100.0
794.43921	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	793.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
57.07084	3.8
57.63481	0.7
61.02929	4.2
67.05514	5.6
69.03430	2.6
69.07078	1.7
69.27655	3.7
69.28082	2.7
71.01347	0.7
71.08640	2.2
73.02930	3.5
74.09730	4.4
79.05493	3.3
81.03416	2.0
81.07068	6.6
83.08638	1.5
85.02925	4.2
85.10178	1.5
91.03975	2.3
91.05501	1.6
93.07050	3.6
95.08617	5.7
97.02910	3.8
101.02413	0.9
105.07008	1.3
107.08642	2.0
109.10180	1.9
109.48352	0.7
112.95328	0.7
119.08580	0.9
121.10146	1.0
127.03960	1.3
135.11732	1.1
139.53252	0.7
212.52892	0.9
240.93454	0.7
243.08525	2.1
308.39072	0.8
312.45255	0.8
313.27527	1.6
333.13309	0.8
366.51443	0.9
497.30917	5.3
498.31067	0.9
537.30353	8.9
681.51410	1.1
784.33698	1.0
793.54407	100.0
794.54895	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	792.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.0
55.05514	32.8
57.03440	21.1
59.04988	2.3
61.02925	4.6
65.03945	2.7
67.05513	98.1
69.03445	10.6
69.07073	21.4
70.06593	3.6
71.04991	9.2
71.51194	4.2
78.71586	2.2
79.05502	54.4
81.02937	2.5
81.03423	70.7
81.07065	72.0
83.04985	22.0
83.08630	42.5
85.02923	33.3
85.06544	5.6
85.25327	2.3
91.03955	2.5
91.05496	57.3
93.07055	48.4
95.04979	34.8
95.08614	33.5
97.02905	6.2
97.06557	12.1
97.07089	2.3
97.10175	11.6
99.08134	2.1
103.05444	2.6
105.07041	50.1
107.04980	12.2
107.08609	36.0
109.06522	10.4
109.10163	57.8
111.04450	4.0
111.08096	16.8
113.06030	3.4
115.05492	3.8
116.07050	5.0
117.07020	14.0
119.08594	39.8
121.06507	15.9
121.10165	20.6
123.04434	2.4
123.08061	5.3
123.11719	8.0
125.09617	12.4
127.03850	2.5
128.06248	4.0
129.07019	14.8
131.08571	24.9
133.06500	4.8
133.10129	29.0
135.08076	4.8
135.11700	5.9
137.09633	10.3
142.07794	3.1
143.08566	3.3
145.10110	13.3
147.08060	5.0
147.11699	29.1
149.09637	13.6
149.13274	10.3
151.11214	3.7
155.08521	3.2
155.10638	4.0
157.10132	18.1
159.11708	9.7
163.11195	9.0
165.12709	4.0
173.11768	10.0
173.13193	3.4
175.11156	22.5
184.07402	4.4
189.11148	3.2
193.12259	59.8
195.13786	4.5
197.13272	2.3
211.13313	60.6
227.12738	12.6
229.14331	31.0
239.18074	3.7
249.14839	3.1
257.19070	7.7
267.15939	40.6
269.17462	20.6
275.20093	35.9
285.16983	61.1
293.21002	3.3
304.93353	2.3
331.22592	3.8
349.23761	29.0
360.78839	2.1
367.24677	13.0
421.25925	14.6
439.26956	100.0
440.27258	4.6
461.29105	21.2
479.30084	58.5
541.35541	17.8
550.11609	2.3
559.36353	51.1
577.37421	24.4
583.31152	4.8
600.30048	2.8
612.36444	3.0
623.33893	5.6
630.36096	3.4
689.31488	3.0
792.44513	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	792.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	1.1
55.05515	17.2
57.03441	12.4
57.07065	3.8
61.02913	3.7
65.03948	4.1
67.05508	67.5
69.03422	1.6
69.07072	16.2
71.04980	1.7
71.08649	1.1
71.51416	1.6
73.02930	1.6
74.09722	12.7
74.18101	0.8
79.05499	46.8
81.07062	63.0
83.04989	2.1
83.08611	8.1
85.02898	2.7
85.06543	2.4
90.66593	0.8
91.03960	1.5
91.04912	1.2
91.05485	27.9
93.07050	50.7
95.04954	3.2
95.08612	53.1
97.02893	2.0
97.06522	2.6
97.10155	2.7
99.08087	1.3
105.07034	19.8
107.08605	26.6
109.06512	1.7
109.10163	23.9
110.10493	1.0
111.08108	1.5
111.11676	0.9
115.05460	1.0
117.07002	7.5
119.08586	16.9
121.10150	21.5
123.08065	1.7
123.11723	7.3
125.09629	1.2
128.02747	1.0
129.07028	2.3
131.08574	12.5
133.10139	14.7
135.11703	14.0
137.09648	1.6
137.13298	2.5
139.11127	1.3
143.08549	1.8
145.10121	10.5
147.11694	9.8
147.49777	0.8
149.09592	1.1
149.13261	8.1
157.10060	1.9
159.11700	9.7
161.13290	9.1
163.11128	1.0
163.14848	5.5
169.10179	1.1
171.11690	2.3
173.13271	6.3
175.14850	3.7
177.16354	1.3
185.13239	1.4
187.14783	3.9
189.16325	1.2
191.14139	0.9
199.14828	1.7
201.16370	2.2
217.19490	0.9
231.21161	1.0
241.19601	3.5
243.21059	5.4
259.20569	7.8
261.22141	18.6
263.23972	0.9
285.22076	1.1
317.24789	3.8
333.24197	4.2
335.25818	100.0
336.26126	3.1
337.27322	9.1
429.34186	0.8
521.43549	1.3
595.47260	15.5
596.48566	0.9
613.48389	9.2
792.53241	6.2
793.54095	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
57.03441	1.4
57.07081	3.2
61.02931	4.7
67.05508	2.7
69.03436	2.1
69.07077	1.3
71.01366	0.7
71.08636	2.1
71.42370	1.0
73.02929	2.8
74.09721	5.3
79.05497	3.6
81.03425	1.1
81.07072	3.5
83.08626	1.1
83.79838	0.4
84.08148	1.0
85.02901	3.8
85.10198	1.4
86.09692	2.8
87.04478	0.6
87.10022	0.5
87.18570	0.5
89.90543	0.5
91.03950	2.9
91.05502	2.8
93.07055	3.4
94.56898	0.5
95.08624	3.2
97.02890	3.4
98.07638	0.5
99.04470	0.6
101.02425	2.4
105.07059	2.1
107.08614	1.8
109.10168	1.5
119.08617	1.5
125.00034	1.7
127.03908	1.1
130.08649	1.4
131.08615	1.1
133.06487	0.6
133.10172	1.2
135.11726	0.7
143.08644	0.5
147.11717	0.8
161.13351	0.6
184.07349	8.3
185.04317	0.7
185.07675	0.7
243.08382	2.5
248.44351	0.6
301.09091	1.2
313.27673	0.6
373.11166	0.8
465.20963	0.9
497.30936	5.3
535.28937	7.3
569.33429	1.1
791.52826	100.0
792.53076	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05518	21.3
57.03446	12.6
57.07053	2.2
59.05008	2.3
61.02917	5.0
65.03928	4.0
67.05510	78.0
69.03447	8.1
69.07069	20.5
69.23060	8.0
69.23466	3.0
71.04999	37.8
71.08594	2.1
71.21757	1.2
73.02917	1.6
76.19500	1.2
77.78053	1.3
79.05499	51.7
81.03423	8.2
81.07063	100.0
82.07417	2.0
82.24528	1.3
83.04993	9.7
83.08620	12.8
85.02914	6.9
85.06552	8.6
86.09689	1.3
91.05486	59.1
92.05801	1.5
93.07053	44.6
94.07372	2.1
95.04997	8.1
95.08614	30.3
97.02888	6.9
97.06545	11.0
97.10169	3.5
99.08080	4.4
105.04529	2.5
105.07041	44.6
107.04974	3.6
107.08599	28.0
109.02883	2.5
109.06514	4.9
109.10165	15.0
110.74094	1.2
111.04455	1.7
111.08076	5.0
113.09658	1.2
115.05446	2.5
117.07017	18.3
119.08586	25.7
121.06509	3.3
121.10151	15.5
123.08056	4.3
123.11726	13.4
125.00060	1.5
125.09633	4.5
127.03888	4.1
129.05458	3.5
129.06989	7.2
131.08571	22.7
133.06520	1.7
133.10144	37.1
134.10472	2.0
135.08028	4.0
135.11705	10.9
137.09618	1.5
141.06924	1.9
143.08569	6.1
145.04959	2.3
145.10121	12.0
147.08043	1.4
147.11702	16.0
149.09634	4.4
149.13266	12.7
151.11205	10.0
157.08777	1.3
157.10092	6.3
159.11697	16.8
161.09633	2.3
161.13264	5.5
163.11166	2.6
169.10086	2.1
169.12251	1.3
171.11679	7.5
173.13275	5.5
175.11191	1.5
175.14856	1.6
177.12761	3.6
181.10011	1.3
183.11725	3.3
183.13811	4.5
184.07341	5.2
185.13261	3.5
187.13263	5.4
187.14682	2.1
195.11684	1.6
195.13803	6.1
197.13168	1.7
199.14745	1.9
201.14894	2.5
213.16602	1.3
225.14835	1.6
229.14386	2.2
239.17825	1.5
241.19528	3.9
243.15863	5.8
251.16402	1.3
253.14314	1.4
257.17419	4.4
257.19556	1.8
259.20621	10.2
269.17410	13.9
275.20114	9.7
293.21069	3.0
297.21921	1.8
301.20099	17.1
315.23068	2.2
331.22610	1.9
333.24283	10.4
349.23633	4.6
409.31021	2.5
423.26907	1.8
435.32651	1.9
437.29068	17.0
449.29016	3.0
451.30621	9.3
453.33395	1.4
463.30518	4.1
483.34644	2.7
495.33319	13.0
501.28723	2.5
501.35675	32.2
502.35715	1.6
515.37152	1.8
517.35138	11.2
527.37305	13.8
528.37738	1.5
533.38184	3.7
535.36041	2.3
543.36456	1.3
545.38379	3.2
559.40027	6.9
593.36829	1.6
610.46326	1.4
632.03778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
55.05508	0.5
56.05040	0.8
57.03422	0.2
57.07072	0.2
58.06636	0.6
60.08168	7.4
67.05505	1.0
69.07059	0.5
69.50963	0.2
70.06610	0.5
71.07375	3.9
71.08618	0.1
79.05504	0.9
81.07064	0.8
83.04982	0.2
83.08624	0.3
84.08175	0.2
85.10210	0.1
86.09711	34.2
87.10060	0.1
89.06025	0.2
91.05502	0.5
93.07066	0.9
95.04976	0.2
95.08635	0.8
97.06548	0.3
98.98473	4.3
104.10747	3.1
105.07035	0.5
107.04974	0.2
107.08587	0.4
109.10158	0.3
111.04438	0.1
117.07023	0.4
119.08612	0.4
121.10155	0.2
125.00013	24.3
125.09628	0.1
131.08534	0.2
133.10159	0.2
135.11667	0.2
136.06169	0.2
138.90393	0.1
143.00954	0.2
145.10175	0.1
146.08182	0.2
147.11707	0.2
166.02698	0.1
184.07350	100.0
185.07762	0.9
190.15068	0.1
273.18301	0.2
275.20038	0.4
276.20413	0.2
335.25742	0.2
413.83875	0.1
437.58411	0.1
485.63278	0.1
496.33740	0.2
589.48468	0.2
610.45142	0.4
628.45782	0.1
690.47278	1.2
691.46198	0.1
754.53741	0.2
772.54858	0.8
790.56061	2.4
795.59808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01282	3.0
55.01860	8.1
55.05516	42.7
57.03440	24.2
58.78104	2.9
59.05010	2.9
61.22053	3.7
65.03954	2.9
67.05512	83.5
69.03416	6.0
69.07070	34.3
69.77343	11.9
69.77755	7.1
71.05000	22.9
79.05074	6.5
79.05498	74.4
81.03425	48.0
81.07063	97.2
83.04971	14.5
83.08637	23.3
85.02900	5.5
85.06549	8.3
91.03986	3.2
91.05492	71.4
93.07050	80.3
95.04988	29.5
95.08614	48.8
97.02901	7.6
97.06544	10.8
97.10182	18.3
101.31508	3.1
105.06393	5.9
105.07042	71.7
107.04953	11.1
107.08601	42.5
109.06524	14.0
109.10171	21.9
111.08080	8.7
115.05503	4.4
117.07024	33.1
119.05016	3.5
119.08591	51.2
121.06531	6.6
121.10152	26.9
123.08071	6.4
123.11659	8.9
125.09633	12.5
129.07033	21.8
131.08582	37.2
133.06564	5.4
133.10144	37.5
135.08038	5.2
135.11719	19.9
137.09573	3.8
143.08603	18.4
145.10136	31.6
147.08009	5.8
147.11682	27.4
149.09608	9.3
149.13268	10.7
155.08543	8.6
157.10130	16.9
159.08057	4.4
159.11720	20.4
161.09563	3.8
161.13254	11.0
162.66492	3.3
163.11217	8.5
169.10167	8.5
171.10185	4.1
171.11723	14.0
173.09779	3.9
173.13274	10.7
175.11174	8.4
177.12793	3.8
183.11684	11.9
183.13814	3.5
185.13222	10.4
189.11206	5.4
193.12230	9.8
194.43806	3.4
197.13284	7.8
211.11234	3.7
211.13210	4.5
227.12788	17.9
229.14296	4.0
241.19604	6.3
243.15988	4.6
257.19156	4.2
259.20508	16.4
267.15948	24.2
269.17517	4.1
275.20016	7.1
299.23517	4.4
301.20090	3.6
333.24246	12.9
349.23746	7.1
421.25757	8.7
423.27472	4.5
433.30988	8.1
435.27142	5.3
437.28842	9.0
449.28415	4.2
451.31796	11.7
463.30408	4.6
469.32962	6.6
495.32141	4.2
507.34818	6.0
517.35541	16.4
525.35754	52.0
543.36902	100.0
544.36914	9.1
557.38367	8.7
575.39600	21.0
658.18054	4.1
666.24487	3.4
697.38727	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	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.9
55.05268	1.3
55.05515	19.2
57.03442	10.2
57.07067	2.1
59.05010	1.8
61.02922	3.1
65.03944	3.5
67.05508	69.0
69.03429	6.7
69.07072	21.8
69.33450	4.9
69.33848	2.5
71.04998	23.3
71.08604	1.3
73.02908	1.7
79.05497	44.9
80.05865	1.2
81.03423	10.5
81.07060	100.0
82.07380	1.0
83.04987	10.9
83.08620	13.9
85.02914	3.9
85.06547	9.4
91.03927	1.5
91.05486	46.6
92.05793	1.1
93.07047	45.8
95.04977	9.6
95.08611	25.1
97.02904	3.5
97.06536	12.4
97.10172	5.7
98.20721	0.9
99.04474	1.6
99.08105	3.0
105.04507	1.4
105.07035	28.9
106.07355	1.0
107.04966	6.8
107.08598	27.8
109.02883	1.7
109.06505	7.3
109.10171	16.5
111.04478	2.2
111.08073	5.1
115.05466	1.2
115.11449	0.9
117.07015	11.9
119.08595	19.4
121.06551	4.4
121.10146	13.4
123.08073	4.4
123.11704	13.1
125.06057	1.1
125.09644	4.5
127.03892	2.3
128.06239	1.5
129.05498	1.1
129.07024	4.7
130.07808	1.3
131.08578	15.5
133.06525	1.7
133.10132	29.2
134.10506	1.0
135.08061	4.0
135.11694	12.7
137.09621	2.7
139.11208	2.1
143.08556	3.8
145.10123	10.4
147.08014	2.5
147.11691	9.9
149.09621	6.7
149.13257	11.6
151.11212	6.6
153.12743	1.2
153.17529	0.9
155.10599	0.9
157.10124	5.2
159.11676	11.0
161.09705	1.2
161.13261	3.5
163.11217	6.2
165.12825	1.6
167.10635	1.0
169.10121	1.3
169.12207	1.1
171.11708	3.1
173.04506	2.0
173.11832	1.4
173.13271	3.7
175.11206	2.1
175.14728	1.1
177.12776	4.7
179.14229	1.6
181.12236	2.0
183.11736	2.7
183.13728	2.2
184.07344	3.4
185.13353	1.5
187.11261	1.0
187.13307	4.0
187.14839	1.8
193.12206	2.3
195.13808	5.3
197.13326	1.1
201.14804	1.8
207.13747	1.1
209.11636	1.4
213.14786	1.3
223.95122	0.9
225.14816	2.8
227.12770	3.3
229.14417	2.3
235.47878	0.9
237.80638	1.1
241.19576	1.5
243.15956	3.7
251.16469	1.3
253.14282	1.4
255.15880	1.5
257.19189	1.9
259.20490	2.6
267.15906	4.3
269.17538	12.4
275.20026	9.1
285.16998	2.9
291.19623	1.6
293.21219	2.1
301.16748	1.1
301.20056	15.9
301.99146	0.9
308.75281	1.0
331.22733	1.7
333.24313	1.8
349.23846	8.9
367.24512	1.2
395.20486	0.9
407.38956	1.1
423.27438	7.2
437.29044	22.0
445.29443	1.8
449.29013	12.0
451.30725	5.7
455.30569	1.0
463.30594	23.1
464.30597	1.2
481.31689	3.8
489.35855	1.1
495.33286	28.3
496.33679	1.3
517.35406	14.6
525.35474	2.3
531.36761	2.4
541.34814	1.2
543.36603	10.7
561.37720	3.1
575.39496	6.2
581.33252	1.6
593.40186	2.0
607.34650	1.4
639.37305	1.5
729.33337	0.9
790.49854	2.1
791.39465	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	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.2
55.05516	44.2
57.03442	18.1
57.07069	4.6
59.05008	25.9
61.02929	3.7
62.18177	1.3
65.03938	5.0
67.05509	100.0
69.03428	6.0
69.07076	18.7
71.05000	13.3
71.08630	2.3
73.02919	2.5
73.06532	1.3
73.10430	1.3
75.00273	1.2
79.05497	52.6
81.03419	8.1
81.07062	61.3
83.04979	7.4
83.08620	17.9
85.02889	5.4
85.06555	3.3
86.09700	2.1
87.04476	41.2
89.06051	3.9
91.03951	1.5
91.05487	31.1
93.07050	42.7
93.07642	2.4
95.04981	8.6
95.08611	34.2
96.08952	1.9
97.02898	4.7
97.06519	3.6
97.10171	17.9
99.04478	16.5
99.08091	1.4
105.07044	18.0
107.04984	2.5
107.08607	24.6
108.08901	1.7
109.02876	2.2
109.06568	1.5
109.10166	48.0
111.04447	2.1
111.08094	3.9
116.07111	1.8
117.07021	8.0
119.08578	14.2
121.06509	2.1
121.10153	20.5
123.11723	5.7
125.00021	2.3
125.09640	15.8
126.91404	1.3
129.07053	2.8
131.08583	11.4
133.10138	10.4
135.11685	12.6
137.09622	2.7
143.08582	2.1
143.10635	1.9
143.65433	1.2
145.10133	10.4
146.10522	1.3
147.11707	6.5
149.09642	2.5
149.13245	4.1
153.12767	1.9
155.08575	2.5
155.10690	2.9
157.10175	2.6
159.11688	5.0
161.13258	5.7
163.11182	4.6
163.14868	2.9
169.10123	1.5
171.11687	2.2
172.11931	1.3
173.11742	14.6
173.13264	4.5
175.14838	2.8
183.11754	1.9
184.07332	11.1
185.13353	2.1
187.14894	2.8
189.11244	1.9
191.10637	1.7
199.13246	10.1
199.14816	1.4
201.16365	1.6
209.11678	1.7
217.14311	2.8
227.12787	6.0
229.14343	30.5
241.14311	3.9
243.21219	2.3
257.13583	2.0
259.15253	1.4
261.22174	11.7
267.15921	4.8
275.20071	2.3
277.21893	1.3
315.17783	7.3
335.25818	58.7
336.26038	4.0
341.38577	1.3
363.25266	3.4
477.35788	16.4
489.35776	35.2
490.36481	1.5
502.74582	1.3
543.36658	3.2
561.37537	1.9
575.39185	2.3
593.40436	3.2
610.44983	2.7
611.46191	1.6
628.46405	1.7
790.46802	2.0
791.44940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	30.7
55.05518	43.6
57.03427	10.2
57.07071	6.9
60.08149	3.8
61.02923	14.5
65.03932	5.0
67.05511	100.0
69.03416	12.3
69.07073	37.1
71.04993	3.5
73.02921	5.0
78.42453	2.6
79.05501	84.5
81.03415	12.6
81.06593	5.1
81.07065	91.8
83.04977	13.3
83.08626	18.8
85.02923	17.9
85.06535	5.4
86.09715	7.9
91.03937	4.2
91.05489	76.6
93.06480	5.5
93.07051	78.5
95.04971	16.2
95.08614	68.9
97.02887	10.8
97.06535	40.5
97.10175	25.5
98.21524	6.4
105.04566	4.0
105.07039	61.0
107.04961	18.3
107.08611	55.2
109.06493	6.8
109.10163	23.9
109.83912	2.8
111.08054	8.7
112.35693	2.8
115.05454	3.2
117.07028	19.9
117.75668	2.5
119.08591	37.2
121.06542	3.8
121.10149	29.1
123.08080	7.3
123.11690	9.6
125.00045	3.0
125.09685	16.3
128.06187	4.5
129.06993	12.6
130.08640	5.2
131.08580	37.6
133.06430	2.6
133.10147	37.0
135.08051	7.9
135.11673	13.9
137.09576	3.7
141.06966	3.4
143.08582	20.1
145.10121	37.4
147.11717	19.1
149.09630	24.8
149.13287	6.4
151.11221	3.4
155.08563	5.3
157.10146	8.3
159.08183	3.1
159.11708	21.1
161.09637	6.8
161.13234	10.3
163.11188	11.4
168.96854	2.9
169.10129	7.4
171.10303	3.7
171.11687	9.0
173.11867	3.2
173.13284	11.0
175.11192	4.8
175.14709	5.0
177.12767	3.0
177.16220	3.9
179.14319	6.5
181.10133	4.8
183.11722	5.6
184.07425	16.6
184.08754	2.9
185.07579	4.1
187.11200	6.9
189.11224	11.4
195.11740	3.1
197.13382	5.3
211.14719	2.9
213.16347	3.3
227.12750	30.0
237.16562	3.1
255.17480	3.5
257.18924	8.7
261.22293	7.6
273.18478	12.4
275.20102	67.8
277.21738	3.0
293.21191	4.5
314.56796	2.9
331.22952	4.3
335.22058	5.1
335.25851	73.3
337.27277	23.3
347.22250	4.6
349.19916	3.1
349.23779	38.6
431.31262	5.8
489.35760	3.6
505.35132	12.0
513.39160	6.7
515.37817	3.9
525.97034	2.9
548.41803	3.2
609.45135	55.3
627.46173	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	790.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	18.9
55.05272	3.2
55.05516	45.4
57.03440	20.4
57.07060	3.3
59.04997	2.6
61.02926	4.7
61.48069	1.8
65.03939	6.9
67.05511	100.0
69.03432	12.3
69.07075	45.5
70.02154	5.7
70.02565	3.4
71.01349	5.2
71.05000	10.2
73.02919	3.6
79.05499	87.5
81.03424	48.8
81.07063	89.1
83.04990	21.5
83.08624	25.3
85.02909	19.3
85.06538	5.3
90.64903	1.7
91.03971	2.2
91.05485	89.0
93.07047	73.1
95.04977	29.0
95.08613	43.8
97.02879	9.0
97.06546	21.9
97.10176	17.3
99.04434	3.6
99.08099	3.0
103.05454	4.1
105.04500	3.1
105.07040	66.4
107.04952	19.9
107.08598	48.1
109.02847	2.0
109.06541	10.9
109.10166	31.7
111.04452	6.1
111.08101	11.8
113.09637	1.8
115.05468	3.5
116.04733	2.3
116.07049	2.6
117.07020	24.9
119.08591	45.7
121.06527	13.5
121.10151	23.4
123.08070	8.1
123.11717	4.3
125.09635	15.3
127.03890	3.8
128.06200	2.9
129.05505	8.6
129.06993	13.4
131.08572	31.5
133.06505	5.8
133.10150	45.5
135.08070	7.1
135.11719	18.9
137.09656	8.6
139.11131	2.0
140.40446	1.6
141.06996	2.3
142.07820	2.8
143.08569	7.0
145.06500	1.9
145.10156	22.9
147.08020	5.4
147.11691	27.1
149.09647	18.4
149.13237	7.2
151.11165	6.6
151.55492	1.6
153.12770	2.8
155.08690	2.1
155.10655	2.0
157.08661	3.2
157.10121	12.1
159.11687	15.2
161.09666	3.5
161.13260	8.9
163.11194	19.4
163.14729	2.0
165.12840	3.4
171.10182	4.9
171.11725	8.2
173.09724	2.7
173.11763	4.0
173.13264	6.9
175.11214	7.3
175.14789	2.8
177.12744	4.0
179.14340	3.5
181.12218	3.3
183.11647	3.3
184.07379	2.7
185.13226	4.2
189.11221	6.3
189.12743	1.9
191.10680	2.3
193.12262	25.3
195.13678	2.5
197.13254	1.9
199.13148	3.5
201.12709	2.4
209.11777	5.9
211.13280	23.9
223.13278	2.1
225.11145	3.6
227.12787	14.1
229.14375	7.0
231.21033	2.7
241.19553	5.0
253.14371	5.7
255.15839	2.9
257.18973	7.1
259.20615	20.3
267.15958	16.5
269.17450	5.8
273.18420	4.1
275.20065	23.5
283.15469	6.0
285.16995	19.2
291.19455	8.2
299.14890	19.0
301.16501	21.0
313.16660	1.8
315.23190	1.8
333.24225	13.0
349.23773	28.2
365.23260	4.3
423.27441	2.6
424.89209	2.2
439.26743	5.3
463.30301	1.9
471.26355	1.9
477.28494	3.4
495.29477	4.0
517.35083	1.9
539.33276	3.3
541.34991	4.5
557.34680	13.7
559.36273	13.1
575.35651	20.7
578.34796	2.6
593.36487	3.3
791.41455	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.1
55.05519	36.7
57.03447	17.9
57.03679	3.4
57.07078	5.3
61.02907	4.7
63.28854	3.8
65.03948	9.7
67.05513	91.7
67.41557	2.8
68.05849	3.7
69.03426	7.6
69.07073	29.7
70.06599	4.5
70.45854	6.7
70.46245	5.9
71.04994	7.2
71.08647	31.5
77.03973	3.4
77.88406	3.3
78.21076	3.1
79.05496	94.8
79.59492	3.7
80.05817	4.2
81.03426	15.7
81.07064	84.6
82.07394	5.7
83.04989	13.4
83.08618	16.9
84.08134	8.1
85.02904	6.6
91.05487	100.0
92.05833	5.2
93.07053	97.1
94.07406	4.4
95.04965	16.0
95.08615	64.4
96.08942	6.1
97.02919	4.6
97.06530	13.2
97.10164	9.4
98.20903	4.7
99.08088	25.3
103.05458	7.9
105.07040	74.5
106.07383	3.6
107.04972	6.2
107.08607	46.8
109.06535	9.1
109.09494	3.7
109.10157	23.7
110.10421	3.5
111.08056	4.5
115.05489	3.6
116.06303	3.5
117.07034	28.6
119.08595	49.2
121.06569	4.8
121.10132	37.1
123.08070	8.1
123.11674	4.6
124.06393	3.5
125.09629	5.8
128.06259	7.4
129.07045	18.0
130.07826	5.7
130.08664	11.9
131.08595	37.3
132.08923	5.3
133.10135	42.4
135.08099	6.6
135.11696	36.2
137.09656	4.6
141.06990	4.0
143.08572	26.6
144.08865	5.0
145.10152	33.4
146.10478	4.8
147.11696	24.0
149.09625	4.7
149.13283	10.0
151.11194	14.4
153.12740	3.6
155.08508	7.0
157.10172	14.7
159.11740	19.2
161.09644	8.2
161.13290	28.3
163.11176	4.5
163.14943	4.3
169.10104	10.6
171.11700	18.1
173.11798	3.7
173.13269	12.4
175.14833	10.5
177.12715	6.2
179.14308	50.5
183.11838	7.5
184.07343	10.3
185.13324	12.3
187.14726	5.2
195.11740	6.6
197.13252	4.5
199.14833	5.8
209.13226	4.0
213.12885	3.4
229.14394	5.4
231.21106	3.9
241.19518	22.3
255.17444	3.6
259.20630	28.7
261.22214	4.6
273.18564	7.9
274.18903	4.0
275.20013	11.8
277.21686	52.0
315.23227	13.4
333.24304	49.2
335.25732	15.4
336.26337	11.2
337.26703	7.6
349.23654	10.3
351.25391	33.9
592.43805	4.4
609.45142	55.9
627.46222	18.1
789.48669	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	789.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	16.7
55.05514	19.5
57.03440	9.8
57.07079	2.7
59.93806	1.6
60.08158	4.1
65.03953	4.2
67.05510	57.5
69.03420	2.8
69.07076	31.5
70.09394	4.4
70.09800	3.2
71.04996	2.8
79.05496	44.6
81.03407	7.4
81.06591	3.2
81.07059	65.4
81.07533	3.5
83.04978	7.7
83.08622	10.9
86.09714	17.5
87.10052	1.8
91.05488	48.4
93.06479	3.2
93.07047	43.7
95.01326	5.8
95.04971	8.6
95.08614	45.2
97.06541	24.3
97.10153	5.7
98.21432	1.9
101.64576	1.6
103.05502	2.0
105.07034	50.8
107.04965	14.5
107.08604	20.7
109.06531	4.3
109.10159	14.5
117.07027	10.3
119.08583	35.0
121.06511	2.8
121.10151	14.7
123.04475	1.9
123.08077	4.3
123.11673	3.8
125.00008	13.8
125.09592	3.4
129.06995	2.3
130.08803	1.7
131.08572	19.8
133.10136	31.4
135.08044	4.7
135.11690	10.4
137.09697	2.1
138.17842	1.7
139.07443	1.6
141.07030	2.0
143.08600	3.8
143.73924	1.6
145.10150	15.8
147.11731	12.3
149.09622	6.2
149.13252	2.2
157.10081	3.5
159.11717	6.2
161.13254	4.1
163.11247	3.4
163.14746	1.7
171.11583	1.8
173.13264	4.7
175.11183	2.0
177.12698	1.9
179.14330	9.9
184.07355	49.2
185.07719	5.1
187.11230	2.5
205.12381	1.8
219.17369	3.9
233.62468	1.7
237.36372	1.6
247.20660	2.1
257.19019	4.6
273.18692	2.5
275.20081	56.6
293.21030	5.1
318.82828	1.8
335.25821	85.9
336.26053	3.0
349.23755	21.2
395.57162	1.7
609.45135	100.0
610.45245	4.6
610.55603	1.8
611.71722	1.8
624.68036	1.8
627.46106	2.3
789.51758	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	15.8
55.05268	3.7
55.05514	46.5
57.03434	16.2
57.07072	4.5
61.02935	16.3
65.03956	6.2
67.05509	100.0
69.03432	20.4
69.07072	36.4
71.04995	8.3
71.08632	12.9
71.51248	3.5
73.02896	6.8
79.05499	66.2
81.03414	28.1
81.07059	89.7
83.04996	15.5
83.08626	22.6
83.25075	3.1
84.08137	5.8
85.02924	19.5
85.06520	4.2
85.10152	2.8
91.03956	7.7
91.05479	61.6
92.05805	3.0
93.07046	67.2
95.04965	14.4
95.08618	56.1
97.02899	20.9
97.06538	15.8
97.10184	12.9
99.04453	5.6
99.08100	9.1
101.09590	2.6
103.05468	3.8
105.04531	3.5
105.07035	59.0
105.99623	2.6
107.04961	8.2
107.08595	42.6
109.02869	8.2
109.06525	9.5
109.10164	36.8
111.08099	5.1
115.05431	3.8
117.07028	35.4
119.08585	45.6
121.06510	8.1
121.10135	26.2
123.08054	6.1
123.11709	9.0
125.00035	3.1
125.09625	7.9
127.03934	9.0
128.06229	6.0
129.07013	20.5
130.08688	3.6
131.08571	46.2
133.06519	3.4
133.10121	25.9
135.08061	4.1
135.11707	11.6
137.09615	5.8
139.11121	3.4
141.07004	6.9
142.07802	5.7
143.08546	23.4
144.09311	2.9
145.06538	4.8
145.10136	35.4
147.08092	4.1
147.11705	22.2
149.09627	7.6
149.13260	6.4
151.11183	6.4
155.08556	12.7
155.10660	2.8
156.09297	3.0
157.10149	17.4
159.11708	24.5
161.09691	3.7
161.13274	10.8
163.11200	8.5
163.14851	4.3
165.12775	3.8
167.08646	6.1
169.10129	17.9
171.11703	21.6
173.04448	4.6
173.09566	4.8
173.11894	5.4
173.13300	13.7
175.14859	7.4
176.99814	2.8
177.12787	3.5
179.14305	4.0
181.10126	6.2
183.11694	14.8
184.07404	5.9
185.13258	12.8
187.14883	10.2
189.11243	5.4
195.11745	4.8
197.13271	11.2
199.14816	8.7
201.16235	3.7
207.11699	4.2
209.13293	6.4
211.14833	6.7
213.16444	6.2
219.21072	3.2
223.14804	3.4
225.16406	3.2
227.12784	10.6
229.14395	9.9
229.19478	4.7
239.18047	4.4
241.19568	5.4
257.18973	3.6
259.20529	5.6
261.22128	3.0
275.20090	17.1
277.21655	4.8
317.24832	3.3
333.24399	5.0
335.26065	15.0
349.23697	8.6
351.25256	7.0
383.33105	5.2
399.33023	5.0
423.32385	5.3
505.34528	3.2
513.35675	11.5
515.37146	9.6
517.40082	6.4
527.37256	10.7
529.38464	9.0
535.41681	6.1
553.42316	4.4
591.43854	4.1
599.45996	3.9
609.45154	55.1
627.46167	99.7
628.46301	8.7
771.50012	5.6
789.51642	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	788.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.05036	1.0
57.03437	0.2
57.07077	0.4
58.06631	0.4
59.07405	0.2
60.05632	0.2
60.08169	7.3
67.05514	1.2
69.03438	0.2
69.07092	0.3
70.06603	0.3
71.07379	4.0
71.07758	0.2
71.08632	0.1
71.50681	0.2
79.05489	0.9
81.03417	0.2
81.07051	1.0
83.04984	0.2
83.08632	0.3
86.09712	34.5
87.10050	0.3
91.05501	0.7
92.05825	0.1
93.07052	0.6
95.08624	0.5
97.02908	0.2
97.10188	0.3
98.98475	4.0
104.10750	3.9
104.11421	0.2
105.07034	0.5
107.08633	0.4
109.06548	0.2
109.10180	0.3
117.07025	0.2
119.08585	0.4
121.10191	0.3
123.08155	0.2
125.00015	23.6
125.09658	0.2
130.08624	0.2
131.08627	0.4
133.10156	0.2
135.11736	0.1
143.01068	0.2
145.10100	0.2
147.11714	0.2
149.60472	0.1
163.11298	0.2
184.07353	100.0
185.07707	0.9
189.11234	0.2
273.18503	0.2
291.19431	0.2
335.25879	0.2
336.26453	0.2
417.54495	0.1
421.70111	0.2
496.33762	0.3
626.44257	0.3
770.53265	2.8
771.53687	0.1
788.41620	0.2
788.54309	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	789.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	12.3
55.05515	36.6
55.67677	2.1
57.03435	11.9
57.07069	6.4
57.75296	1.9
59.04987	2.6
61.02930	17.1
64.19277	2.0
65.03949	2.1
67.05508	70.9
69.03432	13.6
69.06786	2.0
69.07076	23.6
71.01355	1.8
71.04987	6.2
71.08645	12.3
71.51226	2.3
73.02927	4.6
77.02680	1.9
79.05070	3.1
79.05500	51.4
81.03428	16.0
81.07063	63.2
82.07388	4.1
83.04976	9.0
83.08629	15.6
85.02905	13.4
85.06544	4.1
86.09693	3.2
87.04459	1.8
91.03954	6.6
91.05489	50.4
93.07050	47.5
95.04975	12.6
95.08613	40.1
95.09227	1.6
97.02905	11.5
97.06530	12.1
97.10165	12.5
99.08099	5.9
105.04543	1.9
105.07037	43.4
107.04950	8.9
107.08602	27.5
109.02883	2.9
109.06517	5.9
109.10174	26.1
111.04446	4.4
111.08086	5.0
115.05455	2.3
117.07011	23.5
119.08591	34.4
121.06527	3.0
121.10133	14.5
123.08080	5.2
123.11706	8.8
125.00015	3.7
125.09644	10.2
127.03905	4.2
128.06252	5.4
129.06995	18.7
131.08571	36.5
133.06505	2.3
133.10124	19.0
134.10480	2.9
135.08009	4.7
135.11713	13.3
137.09666	4.6
141.06985	6.7
142.07799	3.1
143.08563	21.5
145.10126	28.7
147.11703	14.8
149.09627	4.9
149.13237	7.0
151.11208	8.1
153.15446	1.8
155.08546	10.1
156.09358	2.5
156.17056	2.0
157.10141	19.3
158.19106	1.8
159.08064	3.0
159.11681	18.5
161.09688	2.7
161.13269	10.7
163.11230	4.2
163.14789	3.1
167.08571	5.2
169.10176	11.1
170.10571	2.0
171.11696	15.4
173.04401	2.5
173.11845	2.8
173.13242	9.7
175.14839	5.2
177.12756	3.8
181.10112	4.8
183.11696	9.0
184.07364	8.6
185.13289	11.3
187.14857	6.0
189.11200	4.6
195.11674	6.4
197.13269	9.2
199.14807	3.7
201.16345	2.6
201.99472	2.1
209.13266	4.7
211.14780	7.1
213.16406	4.2
215.18022	2.5
223.14851	6.2
227.12799	9.1
227.17999	2.1
229.14325	3.6
229.19537	3.3
239.18205	2.7
241.19572	5.2
259.20657	4.8
261.22116	4.9
267.15762	2.2
269.22702	3.0
269.43246	2.1
273.22070	2.1
275.20081	11.3
277.21616	5.3
293.21097	2.8
315.22958	2.5
333.24316	5.0
335.25815	11.1
349.23746	8.8
367.29837	5.5
381.31747	2.7
383.33047	4.1
398.97342	2.3
423.32254	2.3
437.34259	2.5
441.33481	2.8
503.33954	2.8
510.14023	1.9
513.35651	18.6
515.37341	16.4
517.40509	4.2
527.37225	2.6
535.41278	5.9
549.49213	1.9
555.40479	2.1
571.43127	2.2
591.43689	2.3
609.45117	44.5
610.45410	3.9
627.46173	100.0
628.46320	6.5
751.86584	2.2
771.50555	3.5
789.49115	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	788.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
58.06596	0.4
60.08166	6.6
67.05500	0.6
69.07072	0.2
71.07375	4.1
71.08652	0.2
71.51361	0.2
72.66467	0.2
79.05510	0.4
81.07056	0.4
84.08168	0.4
86.09710	32.9
87.10045	0.4
91.05491	0.3
93.07038	0.4
95.08618	0.3
98.98471	3.8
104.10747	2.7
107.05016	0.2
109.10166	0.4
125.00009	22.0
184.07346	100.0
185.07703	0.8
190.52155	0.2
204.42014	0.2
308.29626	0.3
363.86755	0.2
496.34036	0.2
702.47174	1.7
754.52917	0.8
788.54114	1.1
789.50189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05043	1.2
58.06628	0.4
59.07380	0.1
60.08167	7.2
67.05511	0.5
69.07068	0.1
70.06594	0.2
71.07376	4.3
71.41977	0.2
79.05502	0.2
81.07085	0.4
86.09711	35.9
87.10042	0.3
87.26293	0.1
91.05499	0.2
93.07060	0.2
95.04974	0.5
95.08598	0.1
98.98471	4.6
104.10752	3.2
119.08562	0.1
121.10114	0.1
122.02838	0.1
125.00010	25.6
131.08537	0.1
143.01009	0.1
184.07350	100.0
185.07706	0.8
220.69614	0.1
273.18427	0.2
288.45297	0.1
309.73169	0.1
320.00351	0.1
338.83395	0.1
378.33078	0.1
496.33783	0.2
604.21582	0.1
690.47369	0.8
735.35223	0.1
770.53357	0.7
788.54456	2.2
789.54395	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	788.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.0
55.05514	29.7
57.03442	11.2
65.03939	4.7
67.05511	100.0
68.71863	1.7
69.03425	4.4
69.07074	25.7
71.04993	4.2
77.03911	1.9
79.05500	84.1
81.03422	11.2
81.07062	71.2
83.04986	17.1
83.08636	16.7
85.02870	1.9
85.06552	7.0
91.05488	75.9
93.07051	74.1
95.02288	1.9
95.04982	21.0
95.08617	40.0
97.02903	1.7
97.06554	12.5
97.10162	11.4
99.08073	1.8
105.04549	1.8
105.07038	53.5
107.04982	13.6
107.08615	32.7
109.02860	1.8
109.06529	10.4
109.10168	44.2
111.08102	7.2
117.07018	15.6
119.08597	36.5
121.06528	4.4
121.10151	15.6
123.08065	5.5
123.11703	5.1
125.09629	5.7
127.07602	2.5
128.06221	2.0
129.07033	15.7
131.08591	12.3
133.06499	2.5
133.10164	22.1
135.08069	6.9
135.11696	6.5
137.09645	3.6
141.07057	2.2
143.08562	10.5
145.10121	18.8
146.08186	2.1
147.08060	3.7
147.11702	39.3
149.09619	8.7
149.13252	8.4
151.11191	3.7
155.08675	2.3
155.10721	1.7
157.10129	5.4
159.11743	7.7
161.09657	6.5
161.13251	10.0
163.11183	7.3
165.12732	1.9
169.10121	3.0
171.11694	23.7
173.10121	1.6
173.11748	7.7
173.13200	3.5
173.67030	2.0
175.11201	2.8
177.12766	3.9
189.11246	2.7
189.12770	7.2
207.13853	16.9
211.13327	3.0
227.12798	12.1
229.14389	20.0
241.14441	2.2
257.19049	6.4
267.15839	1.8
269.17496	11.1
275.20074	34.2
281.17480	60.1
283.15384	2.4
291.19516	3.3
299.14740	3.4
349.23843	17.7
367.24780	5.8
397.84064	1.9
435.27457	73.8
436.27560	2.4
475.30618	80.6
476.30972	2.8
493.27805	3.0
515.33984	2.8
534.04590	1.7
537.35962	1.9
555.36932	55.1
556.37012	1.9
573.38434	16.6
591.35345	4.3
619.34698	2.6
694.68268	1.9
711.96283	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	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	17.5
55.05281	3.2
55.05518	39.5
57.03437	12.5
61.02937	13.6
65.03938	5.1
67.05511	69.1
69.03443	12.0
69.07074	27.5
69.17574	15.7
69.17990	7.3
69.98981	2.2
71.04998	6.3
73.02898	7.7
79.05077	3.5
79.05500	48.5
81.03431	23.8
81.06593	3.2
81.07066	62.8
83.04974	9.7
83.08628	15.4
84.59410	2.0
85.02914	11.2
85.06524	2.2
91.03947	4.0
91.05489	57.4
92.79259	2.3
93.07056	48.1
95.04958	9.8
95.08615	42.2
97.02892	14.9
97.06533	20.5
97.10172	8.8
99.04452	2.5
105.04559	2.4
105.07037	55.3
107.04989	10.5
107.08601	30.9
109.02891	6.1
109.06523	8.4
109.10164	26.8
111.08083	6.8
115.03889	3.0
115.05452	4.3
116.06360	2.3
117.07030	27.6
119.08593	41.4
121.06470	3.4
121.10153	21.7
123.08064	4.7
123.11703	7.4
125.09641	9.2
127.03913	6.3
128.06238	8.2
129.07024	22.6
131.08568	36.3
133.10132	32.1
135.08044	6.3
135.11690	9.6
137.09575	5.4
140.94844	2.8
141.06990	10.0
142.07771	5.5
143.08582	29.3
145.06520	2.4
145.10114	28.9
147.08049	4.6
147.11713	21.7
147.12839	3.4
149.09610	8.2
149.13242	6.1
151.11136	3.7
153.06956	3.5
154.07845	2.6
155.08591	15.2
156.09381	3.8
157.10156	23.7
159.07874	2.9
159.11694	28.7
161.09605	3.2
161.13269	7.6
163.11201	5.4
166.07825	2.6
167.08562	5.6
169.10176	19.4
171.11719	22.6
173.04446	3.1
173.11877	4.0
173.13271	14.6
175.11194	3.4
175.14882	5.3
177.12688	2.7
179.08516	4.8
181.10129	11.5
183.11717	21.8
185.13300	15.9
187.11128	3.0
187.14816	5.5
189.11235	2.8
193.10146	3.4
195.11684	9.9
196.59308	2.5
197.13309	11.8
199.14830	8.9
205.15988	2.8
207.11723	3.3
209.13324	11.4
211.11243	2.7
211.14803	7.1
213.16350	2.9
221.13243	4.2
223.14803	4.5
225.16347	4.5
227.18065	3.5
229.14311	6.7
231.17371	2.3
235.14803	3.7
237.16403	3.9
239.17981	3.8
241.19566	5.0
247.20700	2.4
257.19025	5.9
259.20572	9.3
267.15997	4.3
275.20065	14.2
299.19839	2.6
315.23215	2.4
321.21912	2.8
323.23657	3.9
333.24310	6.5
339.23102	2.4
349.23737	9.9
350.24414	2.7
367.22650	2.4
379.29968	3.6
381.31818	3.5
421.31091	3.4
438.15082	2.5
439.32452	2.4
495.34769	2.9
513.35870	40.0
515.38708	6.8
527.37421	5.5
533.39740	7.4
541.35193	10.1
551.40735	4.0
607.43610	49.9
608.43628	3.2
625.44708	100.0
626.44489	4.6
733.46497	4.1
769.48401	7.0
787.49872	11.5
788.49780	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	788.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.2
55.05266	1.8
55.05513	22.8
57.03447	11.0
57.07076	1.6
59.05006	1.4
61.02930	2.5
65.03933	3.0
67.05508	63.4
69.03437	5.8
69.07074	38.6
69.07404	0.7
69.41534	7.2
69.41956	2.2
71.04999	6.3
73.02904	2.8
79.05499	57.4
79.05968	2.8
81.03426	13.9
81.06587	2.5
81.07060	50.6
83.04989	9.5
83.08622	15.2
85.02911	2.3
85.06531	3.1
86.09699	2.0
91.05486	43.6
93.07048	66.2
94.07337	1.6
95.04973	16.6
95.08614	60.6
97.02901	6.3
97.06535	18.8
97.10161	5.3
99.04453	5.3
99.08065	1.9
103.05454	1.9
104.00896	1.0
105.04494	2.4
105.07040	32.8
107.04964	21.3
107.08601	41.6
109.02845	1.4
109.06517	5.7
109.10168	20.6
111.04436	3.1
111.08072	5.4
113.05936	1.4
113.09679	1.5
115.05428	2.2
117.07024	19.5
119.08588	28.7
121.06511	10.6
121.10146	23.2
123.08088	5.3
123.11747	1.4
125.05990	3.0
125.09646	4.4
127.03904	1.2
128.06186	1.2
129.05467	1.8
129.06987	6.5
130.07777	2.8
130.08672	1.6
131.08572	14.3
133.06454	1.7
133.10136	15.7
135.08041	5.7
135.11702	51.7
137.09618	11.1
139.07555	2.1
139.11192	1.4
143.08601	5.4
145.06511	2.2
145.10136	38.2
147.08055	2.0
147.11705	9.3
149.09637	11.7
151.11221	3.3
153.12764	1.8
155.08511	2.7
157.08772	1.0
157.10121	4.4
159.11688	6.4
161.09563	3.4
161.13252	3.5
163.11185	72.7
169.10179	2.5
171.10301	1.5
171.11674	3.0
173.09610	2.9
173.11760	3.3
173.13281	3.5
177.12726	2.3
179.14294	2.7
181.12247	12.9
183.11734	1.4
184.07317	3.4
185.13240	1.6
187.11136	2.0
189.11230	1.7
189.12813	1.6
191.14438	1.2
193.12178	1.7
209.11813	1.7
211.13245	1.6
223.13281	2.2
227.12793	100.0
228.13145	2.8
229.14391	8.0
229.19574	1.6
234.75092	1.2
239.18069	2.0
247.20560	1.9
253.14401	4.7
257.19012	4.7
267.15988	4.1
273.18604	5.9
275.20102	21.4
283.15424	49.9
285.16852	1.9
291.19565	9.1
293.21204	2.1
299.14963	3.7
320.85175	1.1
331.22531	2.5
333.24118	2.0
347.22272	1.6
349.23755	32.6
365.23196	5.1
379.21085	4.3
383.24377	2.0
437.25323	12.2
461.28900	4.9
515.33777	1.3
541.35529	6.5
557.34808	40.0
558.34845	1.9
559.35504	2.5
573.34344	7.8
575.35266	3.2
591.34851	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	19.4
55.05518	36.8
57.03442	15.2
57.07071	3.3
61.02945	14.0
65.03938	6.0
67.05511	85.0
68.05822	3.2
69.03435	18.8
69.07076	37.8
70.20389	2.2
71.04983	10.6
73.02906	7.0
79.05070	4.2
79.05500	59.2
79.05960	3.1
80.05853	2.4
81.03423	34.7
81.06590	4.4
81.07061	79.6
83.04988	13.0
83.08636	15.3
85.02917	20.4
85.06494	3.4
91.03940	7.1
91.05492	63.4
92.09173	2.5
93.07050	64.3
94.07436	2.8
95.04967	12.1
95.08615	44.1
96.08945	3.9
97.02902	19.5
97.06535	17.6
97.10161	13.7
99.04452	6.5
99.08087	3.5
101.02348	2.9
103.05441	3.7
105.07037	58.6
106.07341	3.2
107.04958	14.9
107.08611	39.0
109.02890	10.4
109.06510	6.7
109.10166	31.3
111.08062	6.0
115.05447	2.9
117.07012	28.7
119.08595	44.8
121.06528	5.7
121.10140	16.5
123.04428	2.8
123.08067	5.7
123.11725	9.3
123.76494	2.6
125.09628	7.8
127.03947	8.7
127.07508	2.7
128.06235	5.1
129.05557	3.3
129.07034	24.4
131.08577	44.9
133.06528	4.8
133.10147	32.7
135.08032	7.5
135.11671	10.6
137.09627	3.2
137.13188	2.8
141.06993	7.9
142.07808	5.0
143.08569	27.8
145.10130	33.8
146.10501	3.6
147.08054	5.8
147.11710	22.9
149.09587	9.1
149.13268	6.9
151.11122	3.9
153.06953	4.2
155.08562	18.7
156.09381	2.6
157.10144	26.1
159.08023	4.6
159.11702	25.4
161.09584	4.2
161.13242	9.2
163.11163	5.0
167.08566	6.6
169.10159	18.4
171.08156	2.6
171.10326	4.5
171.11668	20.4
173.04436	9.3
173.11900	3.3
173.13239	12.6
175.11203	4.8
175.14789	6.0
177.12718	4.4
179.08534	3.3
179.14322	3.0
181.10127	12.8
183.11667	18.3
185.13257	14.3
187.11279	3.7
187.14883	5.1
189.11195	5.3
195.11755	13.4
197.13374	12.0
199.14806	6.8
201.12715	3.0
201.16348	2.9
203.14331	2.4
207.11676	4.1
209.13280	8.0
211.14757	12.3
213.16411	4.1
221.13298	4.5
223.14894	5.5
224.54533	2.6
225.16373	3.5
227.12717	6.6
229.14207	3.3
229.19463	7.3
235.14851	3.7
239.17972	4.0
241.19511	5.5
253.19531	3.7
255.20692	2.5
257.19043	11.0
258.19266	2.8
259.20554	8.5
261.22159	2.7
273.18558	4.2
275.20078	25.4
276.20425	3.3
284.21497	2.8
290.31430	2.7
291.19598	4.3
299.20132	3.2
301.21661	3.2
315.23581	3.3
333.24179	9.5
349.23807	10.3
365.28400	4.6
383.29413	3.3
407.29926	3.0
421.30640	5.5
439.32208	3.6
513.35754	33.6
515.38391	7.9
527.37146	7.9
533.39771	5.2
551.40857	6.0
607.43640	46.4
624.43805	3.7
625.44781	100.0
626.44489	6.8
637.44397	3.9
649.43976	3.8
689.42328	4.7
733.45593	7.5
749.64319	3.0
751.47565	5.7
769.48236	12.1
787.49554	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.9
55.05511	29.7
57.03430	7.8
57.07071	2.5
61.02936	10.2
65.03921	3.3
67.05508	60.7
69.03443	13.0
69.07072	26.0
69.16929	8.9
69.17355	13.2
71.01337	2.1
71.04990	4.1
73.02901	7.8
79.05079	3.3
79.05498	48.5
81.03429	14.4
81.07059	53.0
83.04977	4.3
83.08627	14.8
85.02907	14.6
85.06541	3.6
91.03940	5.3
91.05487	41.7
91.31712	2.0
93.07046	41.8
95.04955	6.3
95.08616	36.7
97.02898	14.1
97.06551	14.2
97.10184	13.4
99.04453	2.5
105.06319	2.0
105.07029	38.9
107.04942	6.4
107.08591	27.8
109.02849	4.3
109.06502	4.1
109.10161	20.2
111.08055	2.3
113.17807	2.0
115.05444	2.5
117.07008	19.0
119.08590	28.2
121.06490	5.1
121.10146	18.0
123.08089	4.4
123.11693	8.7
125.09644	6.0
127.03949	2.9
128.06210	2.3
129.06998	19.5
131.08582	34.4
133.06480	2.6
133.10133	23.2
133.40553	2.5
135.08057	2.5
135.11693	9.5
137.09654	3.5
141.06985	5.8
142.07777	4.3
143.08556	21.2
145.06450	3.5
145.10135	24.5
147.11688	16.0
149.09576	4.7
149.13284	2.6
150.96368	2.1
151.11208	2.9
153.07037	2.6
153.48145	2.2
154.07777	2.8
155.08556	14.6
156.09348	2.8
157.10144	23.1
159.08014	2.5
159.11699	17.6
161.13206	8.1
163.11150	3.6
165.12712	2.3
167.08615	4.1
169.10170	16.9
171.11690	16.7
173.04440	2.7
173.09593	2.1
173.13271	13.7
175.14812	3.5
177.12740	2.5
179.08524	3.9
181.10123	9.9
183.11717	17.1
184.12375	2.5
185.09630	2.7
185.13234	10.8
187.13274	2.9
187.14870	6.1
189.11174	4.7
193.10207	5.5
195.11705	11.3
197.13281	14.6
199.14798	8.4
201.16412	2.3
207.11723	4.9
209.13219	8.4
211.14796	9.1
213.16335	5.8
215.14226	2.3
219.11737	2.9
221.13271	5.2
223.14760	6.0
225.16423	5.1
227.12706	4.7
229.14227	4.3
235.14876	2.8
237.16367	2.4
239.18073	4.4
241.19479	3.0
243.15764	3.5
249.16200	2.5
253.19617	2.8
257.19073	3.9
259.20554	7.1
275.20062	12.2
277.21567	2.7
315.23260	2.6
333.24384	5.0
339.23358	3.2
349.23795	5.8
379.30048	3.1
421.30954	3.5
513.35785	27.4
514.35913	3.7
515.38458	6.9
527.37402	4.5
529.34723	2.7
533.40112	4.5
551.40643	6.0
607.43707	46.6
608.43799	5.5
625.44708	100.0
626.44971	8.2
769.47791	6.5
784.47784	2.6
787.49432	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	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	11.7
55.05278	2.1
55.05518	32.2
57.03430	13.7
57.06443	2.2
59.04988	2.4
61.02931	16.9
61.03202	3.2
62.04758	2.1
65.03933	5.8
67.05509	60.8
69.03429	15.9
69.07076	34.1
71.04981	7.3
71.08630	2.3
71.26500	2.2
72.57738	1.9
73.02908	7.5
79.05499	51.2
81.03429	13.2
81.06593	3.4
81.07063	66.3
83.04964	9.9
83.08627	15.1
85.02913	16.7
85.06552	3.9
91.03969	4.5
91.05489	46.1
93.07056	49.2
95.04967	9.9
95.08607	41.1
97.02905	15.5
97.06521	17.4
97.10168	10.9
98.21510	6.8
99.04462	2.7
99.08112	4.8
101.02420	2.5
103.05482	2.4
104.50469	2.3
105.07035	45.8
107.04951	7.3
107.08598	29.5
108.56411	2.2
109.02898	4.3
109.06532	8.9
109.10155	20.9
110.41391	2.2
111.08069	5.9
115.05476	4.2
117.07059	21.3
119.08593	26.8
121.10147	20.3
123.08089	4.7
123.11736	4.7
125.09624	7.2
127.03967	4.7
128.06190	5.7
129.07019	20.0
131.08580	31.1
133.10141	31.0
134.10558	2.7
135.08057	4.7
135.11642	12.2
137.09612	5.4
141.07007	10.2
142.07773	3.0
143.08563	26.0
145.10138	26.6
147.08032	2.5
147.11716	14.0
148.36320	2.3
149.09601	7.1
149.13255	4.6
151.11099	2.7
155.08559	20.6
156.09338	2.8
157.10135	24.9
159.11703	23.4
159.96664	2.5
161.09584	2.4
161.13252	6.1
163.11166	3.3
167.08546	8.6
169.10121	25.0
171.11687	20.1
173.09671	2.4
173.11908	3.0
173.13298	16.7
175.14864	3.1
179.08533	3.8
180.09337	2.4
181.10156	15.4
183.11740	16.7
185.09662	2.8
185.13263	12.0
187.11031	3.0
187.14870	6.0
189.11168	2.8
191.08632	3.6
193.10182	5.5
195.11723	8.9
197.13263	15.4
199.14830	9.4
207.11736	6.9
209.13228	7.8
211.14868	9.3
213.16414	4.4
221.13297	4.8
223.14873	6.1
225.12823	2.3
225.16321	4.0
227.12790	4.1
227.18018	3.6
227.19980	2.6
229.14256	4.3
229.23473	2.6
235.14890	2.8
237.16405	6.3
239.18015	4.8
241.19481	3.4
246.07095	2.4
257.18948	5.0
259.20578	6.8
263.20248	2.2
273.84332	2.2
275.20151	13.4
277.21790	2.5
295.20758	2.4
297.21732	2.3
315.23285	2.5
325.21625	3.4
333.24225	8.3
339.23160	3.1
347.22467	2.2
349.23727	6.7
353.24600	2.7
363.26794	3.6
421.31024	3.0
439.32159	4.2
495.34293	2.8
496.58130	2.9
513.35736	32.9
514.35803	2.6
515.38379	5.1
527.37415	5.3
533.39667	7.8
551.40747	3.3
607.34155	3.3
607.43500	47.8
608.43903	3.8
625.44629	100.0
626.44714	6.9
667.45026	2.9
769.48389	6.1
787.50000	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	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.3
55.05271	2.0
55.05515	25.7
57.03440	7.6
57.07070	2.2
59.04992	1.2
61.02929	11.9
65.03935	2.9
67.05505	41.1
69.03426	9.0
69.07071	18.6
71.01334	1.9
71.04993	4.1
73.02915	4.6
73.18143	1.3
79.05496	33.8
79.88502	1.2
81.03419	5.1
81.07062	42.1
83.04972	2.7
83.08620	15.1
85.02901	9.9
85.06557	1.7
91.03945	4.2
91.05482	29.4
93.07050	27.0
95.04973	5.4
95.08607	22.0
97.02885	7.5
97.06533	6.7
97.10165	12.2
99.08094	1.3
105.04465	1.4
105.07036	27.7
106.07395	1.4
107.04956	4.8
107.08601	24.3
109.06479	4.2
109.10153	12.1
111.08082	4.1
115.05487	2.2
117.07018	13.3
119.08578	22.8
121.06468	1.6
121.10149	9.5
123.08057	2.0
123.11691	8.1
125.09632	11.1
128.06223	4.3
129.06998	14.2
130.07848	1.4
131.08580	20.3
133.10135	17.7
135.08046	4.1
135.11699	5.3
137.09598	1.3
141.06979	7.0
142.07785	2.8
143.08559	14.4
145.06468	2.0
145.10129	17.5
147.08063	1.2
147.11690	11.9
149.09608	5.4
149.13277	3.0
153.07001	1.4
153.09126	2.0
153.12714	1.2
154.07799	2.9
155.08565	10.5
157.10118	16.1
159.11705	10.8
161.09595	1.5
161.13275	4.2
163.11194	1.8
166.07710	1.7
167.08551	4.8
168.09380	3.3
169.10147	12.6
171.11690	15.7
173.09743	1.3
173.11856	1.9
173.13193	8.5
175.14757	2.1
179.08583	2.6
181.10139	7.5
182.10843	1.8
183.11703	12.3
185.13242	10.5
186.13995	1.2
187.13252	2.7
187.14816	5.7
189.11224	4.8
189.12770	1.6
189.16415	1.6
191.08578	1.4
193.10159	2.4
195.11691	7.5
196.12454	1.5
197.13306	9.8
199.14795	7.2
201.16431	1.7
203.14348	1.5
206.11061	1.5
207.11734	2.5
209.13255	7.0
211.14813	4.9
213.12907	1.2
213.16426	3.4
215.18005	2.3
219.11662	1.7
221.13268	3.3
223.14844	4.9
225.16370	4.1
227.12695	8.4
227.18019	3.2
229.19606	2.9
235.14923	2.6
237.16406	3.2
239.17995	3.3
241.19415	3.0
243.15950	3.8
249.16508	1.6
251.18024	1.5
253.19585	1.2
257.19058	3.4
259.20563	4.9
265.19519	2.2
269.19064	1.2
273.18585	1.6
275.20248	9.3
297.18365	1.1
297.21936	2.4
309.22113	2.2
315.23190	1.6
325.25061	1.1
333.24210	4.4
339.23090	1.8
349.23804	4.6
353.24854	1.5
365.28546	5.7
381.31467	4.6
383.29254	2.2
401.27286	1.4
421.31018	2.4
439.32007	2.8
482.52164	1.2
495.35049	1.6
499.34341	1.5
513.35883	17.7
515.38947	5.5
533.39825	4.9
551.41217	2.5
555.37231	2.9
557.47925	1.4
589.41785	1.8
607.43597	31.0
608.44153	2.7
613.50317	1.3
625.44635	100.0
626.44934	7.6
637.44141	1.6
787.50104	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	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.9
55.05513	42.8
57.03441	17.8
57.07068	3.2
61.02935	17.8
65.03929	3.4
67.05509	94.5
67.64493	2.7
69.03436	15.8
69.07078	35.1
71.04994	4.9
73.02893	8.3
79.05499	58.2
81.03425	25.0
81.07061	75.7
83.04974	11.4
83.08629	19.4
85.02895	17.2
85.06550	3.8
91.03954	5.8
91.05482	57.9
93.07040	52.6
95.04967	12.1
95.08606	56.8
97.02886	16.8
97.06548	23.0
97.10180	11.3
98.21536	7.9
99.04485	3.2
105.04547	3.5
105.07033	57.0
107.04961	8.3
107.08609	34.9
109.02902	6.9
109.06503	8.2
109.10162	29.2
111.04460	3.0
111.08073	8.1
115.05428	3.9
117.07034	31.7
119.08578	43.6
121.06497	4.7
121.10150	23.3
123.08071	6.4
123.11718	9.4
125.09637	9.6
127.03907	8.1
128.06203	6.9
129.05458	3.4
129.06996	22.8
130.07835	2.7
131.08586	40.6
133.03262	2.5
133.06493	6.0
133.10130	27.0
135.08055	5.4
135.11665	15.1
137.09682	6.2
139.07553	2.8
140.40430	2.5
141.06989	9.2
142.07785	5.1
143.08577	30.5
144.09236	3.2
145.10124	32.7
147.08018	5.9
147.11725	19.0
149.09601	8.2
149.13281	7.9
155.08549	21.9
157.10175	20.5
159.08052	3.5
159.11705	28.3
161.09660	6.3
161.13261	11.0
163.11165	4.0
163.14841	3.5
167.08560	6.4
168.09409	3.7
169.10129	23.6
171.08075	3.9
171.11674	21.9
173.04446	7.0
173.11842	5.3
173.13210	17.7
175.14920	3.5
179.08539	4.1
181.10135	14.9
183.11716	23.1
185.09674	3.0
185.13264	15.8
187.11201	3.9
187.14859	9.1
193.10156	2.9
195.11589	14.4
197.13216	18.6
197.16161	2.8
199.14896	14.3
207.11746	4.6
209.13301	8.9
211.14828	7.5
213.16391	6.9
221.13321	4.4
223.14799	8.0
225.16341	2.8
227.12808	4.9
229.14330	5.1
229.19656	3.2
235.14771	3.5
237.16463	4.5
239.17989	4.5
241.19420	5.4
251.17822	3.5
257.18906	3.3
259.20581	9.7
265.19455	3.0
273.18756	4.1
275.20071	12.3
277.21799	5.6
301.21674	3.0
315.23019	4.4
327.23257	3.4
333.24283	5.2
335.26059	3.3
349.23746	8.0
367.22641	4.7
379.30020	4.3
435.32803	4.5
504.58002	3.4
513.36121	22.3
515.38019	7.9
527.37720	6.8
533.39758	4.1
577.60834	3.1
607.34235	3.4
607.43549	48.3
609.45880	3.0
625.44653	100.0
626.44421	3.2
733.45990	4.5
769.48297	6.8
787.49518	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	786.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.9
55.05517	22.5
57.03418	15.9
57.07079	57.1
67.05508	47.7
69.04564	5.9
69.07063	22.1
69.32064	9.7
69.32482	27.8
70.06580	4.0
71.04977	4.3
71.08636	36.7
72.08131	8.4
74.09743	8.1
79.05499	42.1
81.07062	51.1
83.08614	21.2
84.08123	10.3
85.10175	16.7
86.09712	6.0
91.05478	51.7
93.07053	43.9
95.04994	4.7
95.08618	53.7
97.10165	11.4
105.07037	62.7
107.08604	25.3
109.10182	23.7
111.11715	6.9
117.07017	11.5
119.08588	57.9
121.06538	6.4
121.10120	14.5
123.11719	6.2
125.47980	4.3
129.07007	13.2
130.08626	12.4
131.08548	21.2
131.20528	4.6
133.10144	38.6
135.11665	13.0
141.90945	4.6
145.10130	19.9
147.11699	45.2
149.13261	7.6
157.10100	10.3
159.11722	23.9
161.13254	24.8
163.14832	6.3
171.11658	12.3
173.13239	8.2
175.14836	13.5
184.07434	28.6
185.13190	13.0
199.14874	6.5
203.86783	4.5
231.21114	7.5
241.19460	29.8
259.20578	99.8
275.76245	4.2
295.27847	3.7
295.50027	4.1
313.27386	100.0
315.23206	7.3
333.24265	54.5
571.47211	20.0
578.75659	4.3
589.48236	36.8
629.48242	5.5
649.80975	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	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	31.2
55.05517	29.1
57.03427	10.5
61.02923	5.9
65.03962	4.9
67.05512	74.7
69.03429	5.1
69.07077	48.6
69.19859	17.0
69.20285	16.9
71.04992	6.2
73.02927	4.6
79.05500	65.2
81.03424	14.4
81.07060	80.2
83.04987	10.0
83.08626	12.0
85.02914	4.0
85.06544	5.6
91.05489	98.8
93.07053	67.8
95.01338	7.1
95.04977	18.8
95.08620	47.8
97.02893	5.7
97.06528	45.7
97.10183	7.7
98.20790	6.8
103.05502	4.5
105.07040	100.0
107.04962	26.8
107.08612	30.1
109.06541	8.6
109.10184	23.6
111.08108	6.7
114.07259	3.5
114.20384	3.5
117.07029	29.6
119.08589	71.4
121.06524	3.6
121.10144	16.4
123.08079	5.4
123.11737	7.3
127.75787	3.6
129.07013	12.5
131.08586	41.4
133.09258	4.6
133.10164	52.1
135.11684	14.2
137.09590	6.1
141.07019	7.0
143.08585	11.9
145.10136	30.5
147.08138	3.6
147.11678	33.3
149.09630	11.4
149.13295	9.6
155.08588	5.8
157.10162	16.2
157.11646	4.3
159.10538	4.1
159.11694	27.4
161.13306	17.8
163.11272	9.2
163.14766	3.9
169.10199	7.6
171.11740	13.5
173.13274	10.5
175.11177	4.5
175.14853	6.0
177.12828	4.9
179.14333	14.3
183.11763	5.7
185.13315	7.9
187.11215	4.4
187.14928	6.4
197.13213	6.6
199.14856	8.0
213.12843	4.3
229.14426	8.6
241.19484	16.9
257.19135	7.2
259.20602	22.2
275.20093	79.2
276.20364	7.0
293.21146	4.0
315.23257	14.1
331.22916	3.8
333.24234	48.7
335.25836	6.5
336.26257	5.9
349.23810	44.7
490.35901	3.8
513.35791	6.3
533.39563	4.7
607.43494	57.9
608.43536	5.0
625.44958	28.1
749.21594	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	786.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	15.7
55.05511	32.7
57.03437	13.5
57.07068	3.1
59.04997	1.5
61.02912	4.8
65.03934	4.3
67.05505	100.0
68.05820	1.8
69.03427	8.1
69.07069	39.5
69.08582	1.3
69.51125	3.2
69.51535	9.0
71.04987	7.9
73.02911	2.9
77.03911	1.7
79.05495	86.7
80.05828	2.8
81.03418	20.5
81.07056	74.0
82.07388	1.7
83.04992	17.5
83.08623	14.9
85.02888	5.6
85.06522	4.4
91.05485	86.2
92.05815	2.2
93.07044	77.8
94.07365	1.9
95.04974	23.8
95.08609	53.5
96.08966	1.6
97.02909	8.1
97.06525	20.1
97.10156	6.8
97.84435	1.4
98.20789	2.6
99.04430	2.1
99.08109	2.8
101.02389	1.6
103.05453	2.1
105.04493	5.2
105.07037	57.8
105.48501	1.5
106.07344	3.2
107.04958	20.8
107.08591	31.9
109.02883	3.0
109.06510	14.7
109.09461	2.6
109.10152	30.8
111.04435	2.4
111.08072	4.9
115.05446	2.9
117.07025	19.8
119.08581	36.2
121.06495	6.3
121.10140	14.9
123.08070	7.9
123.11663	2.5
125.09613	6.8
126.69349	1.6
127.03907	3.1
128.06227	5.3
129.05499	2.5
129.07016	16.7
131.08571	19.1
133.06511	3.6
133.10135	22.2
135.08058	4.0
135.11684	8.2
137.09612	12.2
139.07460	1.6
141.06894	2.8
142.07803	1.9
143.08569	14.9
145.06464	2.7
145.10123	27.2
146.10516	1.7
147.08096	3.4
147.11684	38.2
149.09641	18.2
149.13239	4.8
151.11217	2.3
155.08525	6.1
156.09358	1.9
157.10060	7.4
159.08055	3.3
159.11674	8.7
160.12042	1.9
161.09628	7.7
161.13269	13.2
163.11156	9.7
165.09001	2.6
167.08510	2.2
168.09290	1.4
169.10110	4.4
170.18843	1.5
171.11705	24.4
173.04422	1.9
173.11729	4.5
173.13243	4.5
175.11168	2.5
177.12744	4.3
179.14301	4.0
181.10100	2.0
183.11665	4.9
184.07355	1.9
185.09653	1.7
185.13275	3.0
187.11188	1.8
187.14867	1.6
189.11185	3.1
189.12732	8.1
193.12605	1.7
195.11824	1.7
197.13170	3.8
207.13808	21.2
223.13107	2.1
225.14726	1.8
227.12697	7.2
229.14304	9.4
239.17969	2.7
242.44536	1.7
257.18985	8.7
259.20334	1.6
273.18402	3.6
275.17361	2.1
275.20081	28.0
276.20380	2.3
281.17484	39.4
283.15338	2.6
290.17413	1.7
291.19470	4.7
293.21164	2.4
333.24405	1.6
349.23755	23.8
350.23904	1.7
365.23380	1.8
377.23026	3.2
431.01642	1.5
435.27432	24.3
436.27292	2.1
459.30951	4.0
461.29678	1.6
477.28479	2.1
501.41437	1.4
537.35498	2.4
555.36798	35.3
556.36591	3.3
557.34869	3.9
573.38177	1.8
607.42786	2.1
623.41919	1.8
624.43536	9.8
625.44366	5.8
786.47980	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	785.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.3
55.05263	1.1
55.05512	10.8
57.03431	3.1
57.07072	1.3
65.03945	7.8
67.05510	73.3
68.05837	0.7
69.03449	4.0
69.07073	8.7
70.06548	0.9
71.04980	1.5
71.08626	1.0
71.51321	0.7
71.51687	1.0
78.62331	0.8
79.05497	24.4
81.03445	4.6
81.07066	25.0
83.04958	2.3
83.08620	3.8
85.02895	1.9
85.06521	1.2
85.84618	0.9
91.05490	25.9
93.06483	1.5
93.07052	24.8
95.01379	0.9
95.04978	100.0
95.08612	16.8
95.64979	0.8
97.06567	4.9
97.10176	1.9
105.04510	1.2
105.07037	22.0
107.04965	7.2
107.08602	11.4
109.02866	1.5
109.06544	6.8
109.10173	5.2
109.41714	0.8
111.08086	3.4
115.05443	1.9
116.06235	1.2
117.07018	7.9
119.08590	15.3
121.06516	7.8
121.10145	6.0
123.04378	1.1
123.08091	2.0
123.11704	2.0
125.09606	1.6
128.06241	2.4
129.07004	5.4
130.07878	0.9
131.08583	15.9
133.06531	4.2
133.10147	9.5
135.08047	2.6
135.11697	6.6
137.05965	1.4
137.09596	1.2
141.06964	1.6
143.08578	11.2
145.06392	2.0
145.10149	13.3
147.08055	5.8
147.11694	7.7
149.09587	2.2
149.13268	2.1
151.11133	1.0
155.08560	2.0
157.10159	4.4
159.08147	1.4
159.11705	7.2
161.09656	1.9
161.13260	3.6
163.11163	3.1
168.09283	1.1
169.10117	3.3
171.11716	3.7
173.09540	0.8
173.13249	3.5
175.14790	1.2
177.12762	2.5
181.10121	1.9
183.11700	2.1
184.07372	1.0
185.09599	1.0
185.13249	2.7
187.11191	2.2
187.14816	1.3
195.11641	1.6
199.14764	1.3
205.12234	1.2
213.50034	0.8
227.17950	1.2
229.14314	1.2
237.16457	1.4
239.17923	1.0
241.19525	4.9
245.19095	1.5
255.17439	2.0
257.19119	1.8
259.20605	5.4
273.18515	37.7
274.18948	1.2
275.20154	4.1
279.16016	1.6
291.19571	5.9
313.27356	2.1
315.23227	2.3
333.24255	17.3
335.25748	1.9
347.22171	19.8
554.37726	1.0
605.41968	19.9
606.42383	1.6
623.42633	4.1
785.46887	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	785.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
55.05514	12.9
57.03441	6.5
61.02931	25.0
65.03929	2.9
67.05506	28.2
69.03439	7.4
69.07067	11.2
69.34891	6.9
71.04995	2.7
73.02915	7.4
79.05500	25.7
81.03415	7.0
81.07059	27.7
83.04973	3.1
83.08629	8.7
85.02437	1.6
85.02912	28.4
85.06544	1.9
91.03956	14.4
91.05482	30.1
92.05777	1.0
93.06487	1.5
93.07050	19.9
94.24290	0.8
95.04978	5.8
95.08614	16.2
97.02894	15.6
97.06522	5.0
97.10174	3.4
99.04453	2.4
103.05479	1.9
105.04504	1.2
105.07034	24.6
107.04957	4.7
107.08606	9.1
109.06496	3.1
109.10149	6.9
111.08126	1.8
115.03940	1.3
115.05443	4.2
117.07014	19.8
119.04967	1.8
119.08589	13.0
121.06496	3.2
121.10159	6.1
123.04429	2.3
123.08051	2.9
125.09644	2.9
127.03942	5.3
128.06238	6.2
129.07004	24.1
130.07794	1.3
131.04939	1.9
131.08572	24.5
133.06477	5.8
133.10135	8.1
135.08038	3.9
135.11676	3.6
137.09639	1.9
139.03894	2.7
141.06992	13.0
142.07802	2.8
143.08565	18.1
145.05081	4.7
145.06413	4.8
145.10124	11.5
147.08078	6.2
147.11696	4.2
149.09610	3.9
151.03983	1.2
153.06970	2.4
155.08563	14.8
157.06508	3.1
157.10159	11.6
159.08055	2.8
159.11711	6.9
161.09651	2.5
163.06007	2.0
163.11205	2.5
165.06970	2.9
167.08546	5.7
169.10129	12.2
171.08046	2.9
171.11702	5.8
173.05963	1.3
173.09665	2.9
173.13310	1.5
175.11093	2.3
177.12712	3.6
178.07780	1.3
179.08536	3.5
181.10129	10.1
183.11668	7.6
185.09706	2.7
185.13260	4.3
187.11157	3.9
187.14857	1.6
193.08554	1.1
193.10146	4.6
193.11917	1.1
195.11699	9.4
197.09633	1.9
197.13272	5.2
199.11157	2.3
199.14784	3.0
201.12776	1.7
203.14319	1.1
205.10272	1.2
207.11668	3.3
209.13274	6.4
211.11324	2.6
211.14835	3.5
213.12750	2.8
215.14336	4.3
217.15947	1.1
219.11768	1.2
221.13283	5.3
223.14873	5.5
225.12660	1.6
227.14389	1.2
233.13289	1.5
233.15396	1.5
235.14774	2.6
237.16347	1.6
239.14317	4.6
239.17860	1.1
241.15941	2.4
251.14426	1.4
253.15926	3.1
257.15332	1.8
259.17017	2.2
271.16898	4.9
283.16910	1.3
309.18423	1.2
315.21219	1.9
323.23676	4.6
333.22192	10.4
341.24774	6.7
351.23178	30.9
352.23141	1.2
369.24237	22.3
387.25345	11.1
407.25421	1.1
415.28235	2.1
425.26892	7.9
433.29413	1.1
443.27963	100.0
444.27917	4.7
461.29028	57.3
462.29193	1.8
463.81607	1.1
477.26642	1.1
485.29199	2.4
503.29843	2.5
535.99469	1.2
569.31128	1.7
587.32275	1.7
605.32990	3.8
623.33923	1.8
629.52515	1.2
817.43799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01479	1.3
55.01867	4.0
55.05288	1.6
55.05515	11.9
56.25405	1.2
57.03432	4.1
59.04984	1.7
61.02932	24.4
65.38163	1.2
66.92178	1.2
67.05180	1.9
67.05510	28.8
68.20132	1.1
69.03432	7.4
69.07063	9.3
69.95406	6.5
70.06577	1.4
70.08757	1.2
71.04985	3.3
72.84708	1.3
73.02906	7.5
79.05083	1.5
79.05502	22.7
81.03440	9.3
81.07057	23.5
83.04956	4.3
83.08627	7.2
84.08117	2.0
85.02905	26.1
85.06527	1.7
91.03977	12.0
91.05489	32.6
93.07052	22.0
95.04964	4.4
95.08596	14.2
97.02902	17.5
97.06526	4.4
97.10165	3.9
98.21468	1.4
99.04468	2.4
103.05492	2.3
105.07033	23.9
107.04950	4.9
107.08613	9.6
109.02837	3.1
109.06514	4.8
109.10152	7.9
111.08093	1.5
115.05444	2.6
117.07024	15.9
119.08572	12.2
120.57841	1.5
121.06497	4.9
121.10137	7.1
123.04421	3.1
123.08070	2.5
125.09600	2.1
127.03930	6.8
128.06253	4.0
129.06154	2.5
129.07010	23.4
131.04950	1.8
131.08572	24.7
131.10130	1.2
133.06479	5.0
133.10112	10.4
135.08040	2.2
135.11691	3.6
139.03911	3.5
141.07019	8.1
142.07805	2.7
143.08557	14.5
145.04967	4.3
145.06488	5.5
145.10124	9.6
147.04404	2.6
147.08047	4.5
147.11707	4.0
149.09662	3.7
153.01822	1.4
153.06961	3.6
154.07780	2.0
155.08542	15.7
157.06514	2.7
157.10121	10.5
159.08044	4.3
159.11659	8.3
161.09633	3.0
163.03867	2.9
163.06123	1.7
163.11137	1.9
165.07063	1.8
165.12906	1.6
167.07204	1.9
167.08563	8.0
167.99529	1.4
168.09390	1.5
169.10152	11.5
171.08110	1.9
171.11684	6.5
173.09656	2.3
173.11760	1.5
173.13213	3.1
175.11258	3.1
175.14735	1.3
177.12778	2.6
178.07657	1.8
179.08659	1.8
181.10123	6.3
183.11722	5.4
185.09576	1.4
185.13235	4.7
187.11198	1.5
189.12799	1.8
192.09108	1.6
193.10120	3.5
193.12198	1.9
195.11760	8.4
197.13284	4.3
199.11166	2.1
199.14864	2.5
201.12782	1.6
207.11697	3.7
209.13295	5.1
211.14885	2.5
215.14342	2.4
221.13258	4.8
223.14819	5.1
224.58757	1.3
225.12877	2.4
235.14783	3.8
237.16415	1.6
239.14235	3.3
241.16029	1.9
253.15976	2.6
257.15305	3.2
259.17014	1.5
271.17093	2.1
305.22504	1.9
315.21161	1.8
323.23749	3.0
333.22180	10.6
341.24753	5.3
351.23209	30.3
369.24234	19.7
387.25168	10.5
415.28378	2.0
425.26868	5.6
433.29297	1.5
443.27930	100.0
444.28293	4.8
461.29016	51.2
462.28986	2.2
485.28769	1.6
503.30075	1.5
561.29785	1.5
569.30963	2.0
587.31934	2.4
605.32935	3.6
623.33734	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	784.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
55.05503	8.6
57.03438	3.6
57.07085	12.7
60.08173	2.2
67.05506	16.9
69.04560	2.6
69.07079	17.5
70.72030	6.7
71.08624	9.7
75.18726	2.2
79.05496	14.2
81.03406	3.9
81.07064	26.9
83.04954	3.1
83.08620	8.1
85.10203	5.0
86.09689	2.5
91.05490	24.0
93.07041	16.4
95.01360	5.2
95.04965	2.3
95.08607	18.4
97.06530	9.3
97.10161	5.0
105.07040	36.8
107.04954	7.1
107.08589	6.7
109.10164	6.8
111.08128	2.2
117.07042	5.9
119.08577	14.2
123.11739	2.4
123.77679	2.3
124.99993	3.0
125.04790	2.4
126.88975	2.1
130.16391	2.2
131.08560	10.1
133.10115	20.5
135.55502	2.7
145.10110	9.4
147.11696	5.3
149.13310	3.0
159.11743	5.7
163.11130	2.7
179.14305	6.7
184.07304	8.1
185.07607	2.5
195.00357	4.3
257.19070	3.0
272.21368	2.4
275.20074	37.4
313.27444	25.8
349.23813	13.8
450.99191	2.6
462.21063	2.3
469.10834	2.2
536.41791	2.5
587.46741	100.0
588.46747	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	783.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.8
55.05521	11.1
57.03444	25.5
57.07080	22.7
65.03940	3.9
67.05511	54.8
69.03441	2.8
69.07069	11.0
71.05001	2.2
71.08640	17.0
79.05495	27.4
81.03418	2.6
81.07064	33.7
83.04994	3.3
83.08625	8.6
85.06545	10.6
85.10181	6.9
89.06027	1.3
91.05484	26.7
93.07053	20.5
95.04972	64.6
95.08608	25.9
97.06534	4.4
97.10179	4.4
98.21612	2.9
99.08125	1.1
105.07028	16.7
107.04976	10.3
107.08603	15.7
109.06532	61.9
109.10164	7.7
111.08074	3.5
112.02520	1.3
113.06013	25.8
114.92879	1.2
117.07021	13.9
119.04971	1.3
119.06087	1.2
119.08595	11.0
121.06514	5.4
121.10139	3.3
123.08081	3.6
123.11711	3.0
127.67411	1.2
128.06233	1.9
129.07028	5.4
131.08574	14.8
133.06506	3.5
133.10143	7.2
135.08060	45.2
135.11720	5.9
137.09601	1.7
141.07034	1.2
143.08548	9.2
145.06529	1.6
145.10115	11.2
147.08084	5.7
147.11678	3.5
149.09622	4.3
149.13252	1.3
157.10178	5.2
159.08104	3.2
159.11624	6.0
161.09608	7.3
163.11215	3.5
169.10211	1.4
171.11668	2.8
173.09630	1.3
175.11191	2.1
177.12700	3.2
183.11778	2.0
184.07391	2.8
185.09566	1.4
185.13304	2.3
190.22664	1.4
195.11725	1.4
195.13739	1.7
199.14873	3.5
201.12872	1.8
217.15932	12.8
222.69748	1.2
233.15332	1.6
237.16389	2.0
255.17361	1.8
267.63507	1.2
273.18509	38.4
274.18607	1.9
290.74161	1.2
291.19559	100.0
292.19922	2.4
309.20743	2.3
313.27383	47.8
347.22183	9.8
351.88623	1.2
365.23291	17.2
545.42035	4.0
585.45178	17.0
603.46234	65.8
604.46222	3.5
783.48645	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	783.525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.9
55.05500	10.1
56.59488	2.3
57.03439	21.9
57.07075	17.5
65.03957	4.1
67.05175	5.1
67.05506	51.7
67.63121	2.3
69.07065	10.1
70.76089	3.8
70.76406	2.9
71.04976	2.7
71.08637	12.6
79.05492	28.9
81.07056	28.6
83.08613	7.5
85.06534	11.5
85.10185	11.3
86.09707	7.5
89.06028	3.7
91.05493	23.8
93.07040	21.6
95.04972	53.2
95.08614	19.7
97.06528	3.6
97.10146	3.5
105.07033	16.5
107.04961	9.6
107.08588	12.3
109.06519	50.6
109.10164	6.2
113.06013	27.1
117.07022	11.7
119.08581	12.1
121.06538	4.5
121.10162	3.4
123.11699	3.2
124.99998	5.1
129.07010	7.2
131.08572	10.9
133.06509	4.2
133.10161	7.2
135.08058	48.3
135.11681	4.6
143.08528	7.5
145.10133	8.0
147.08133	4.2
149.09645	3.0
157.10161	4.7
159.11678	3.9
161.09607	6.8
163.11185	4.2
171.11685	3.1
175.11195	3.6
184.07332	16.4
185.07684	3.0
199.14719	3.6
217.15839	15.2
273.18515	38.4
291.19522	100.0
313.27377	45.9
346.32034	2.9
346.89346	2.4
347.22089	8.2
365.23080	16.0
372.15182	2.8
585.44934	17.0
603.46246	63.5
604.46490	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	782.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
55.05515	18.5
57.03426	9.9
57.07057	3.5
65.03930	6.1
67.05180	4.5
67.05508	66.7
69.03409	3.6
69.07059	19.1
71.04974	4.2
79.05497	87.3
81.03410	11.2
81.07061	58.1
83.04966	10.2
83.08605	11.7
84.41060	2.6
85.06525	4.8
86.09711	4.9
89.06051	3.7
91.04907	3.5
91.05483	76.1
93.07047	100.0
95.04964	16.0
95.08617	35.3
97.06524	7.0
97.10156	6.1
98.20718	4.5
98.98501	3.4
105.04533	4.4
105.07038	66.7
107.04945	6.5
107.08597	36.3
109.06512	5.3
109.10136	16.3
109.70461	2.8
110.52181	2.8
111.08102	2.9
117.07021	23.5
119.07813	4.0
119.08591	51.2
120.40722	2.9
121.10150	37.4
123.08064	5.3
123.11704	5.2
125.00024	3.0
125.09660	2.8
128.06161	3.1
129.07021	12.2
131.08559	20.3
133.10132	35.9
134.72192	2.5
135.08064	4.2
135.11665	15.3
137.09694	2.8
141.06987	4.2
143.08528	8.6
145.06531	4.9
145.10159	21.3
147.11691	29.5
149.13263	10.2
155.08615	3.1
157.10092	8.8
159.11650	10.2
161.13271	17.3
163.14958	3.0
171.11642	14.1
173.13242	8.2
175.14847	7.9
180.25945	3.7
183.11842	2.8
184.07321	16.6
185.13167	3.7
187.14870	4.9
189.12715	2.9
199.14781	5.1
207.13771	6.5
209.11758	3.1
210.12245	3.2
224.72942	2.6
235.16899	15.2
241.19490	13.2
259.20563	25.5
271.17010	4.1
275.20035	5.9
279.15881	6.5
281.17542	20.0
287.23602	12.4
307.18936	9.1
309.20569	17.2
315.23492	3.2
333.24179	31.8
361.27271	10.8
386.07471	2.8
475.35873	5.9
478.78546	2.7
493.36575	3.6
522.38635	3.3
567.40497	50.1
568.40936	6.2
585.41565	19.6
782.46204	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	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
57.03444	2.3
61.02933	5.8
63.60681	0.3
67.05505	4.9
69.03432	3.3
69.07066	1.0
71.04992	1.5
73.02925	3.5
79.05502	4.4
81.03429	2.9
81.07063	5.8
83.08608	0.8
85.02908	5.6
86.09737	0.4
87.04486	0.5
91.03962	3.1
91.05480	2.8
93.07059	4.6
95.04983	0.8
95.08625	3.6
97.02907	4.9
97.06481	0.5
97.10160	0.7
98.21536	0.7
99.04510	0.7
101.02386	1.2
105.07034	2.0
107.04974	0.4
107.08611	1.4
109.02910	0.9
109.10169	1.6
119.08604	1.4
121.10110	2.1
123.08174	0.4
124.99988	0.4
127.03952	1.0
129.07056	0.5
131.08557	1.5
133.10120	1.2
133.80466	0.4
135.11694	0.9
145.10153	0.8
147.11751	1.1
149.09660	1.0
157.10103	0.5
178.55746	0.4
184.07373	2.1
185.04262	0.9
186.37074	0.4
193.12180	0.7
203.05228	0.5
225.14938	0.5
243.08467	2.0
267.16101	0.5
283.15155	4.9
283.17703	0.5
335.25970	0.7
339.17871	0.6
472.34323	0.5
501.23148	5.6
519.29309	6.6
519.36981	0.4
631.15002	0.4
704.58539	0.4
779.45538	100.0
780.45905	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	779.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05505	1.0
57.03432	1.4
58.49674	0.4
61.02938	4.2
67.05507	5.3
67.43184	0.4
68.05868	0.7
69.03432	2.9
69.07062	1.8
71.04998	3.1
71.51892	0.6
73.02924	3.4
79.05500	3.9
81.03454	1.1
81.07064	5.9
82.85198	0.4
83.04994	0.6
83.08627	1.1
85.02903	5.2
85.06561	0.6
87.04496	0.5
91.03965	2.3
91.05482	5.2
93.07051	4.1
95.04969	0.7
95.08615	2.6
97.02912	4.4
97.06548	1.1
99.04475	1.5
101.02391	1.2
102.34093	0.5
103.19801	0.5
105.07021	3.5
107.08620	2.2
109.06554	0.8
109.10172	1.8
117.07056	0.8
119.08588	1.1
121.10143	1.9
127.03928	0.9
129.07004	0.8
131.08627	1.3
133.10124	2.5
135.11699	1.2
145.10153	0.6
147.11696	1.0
149.13275	1.6
151.11214	0.9
159.11761	1.1
171.11774	0.6
185.04349	1.4
187.50317	0.5
200.71384	0.5
201.03799	0.6
243.08487	2.4
259.20636	0.6
267.15781	1.3
301.09003	1.5
315.10953	0.5
323.18283	0.7
374.61899	0.6
385.18033	0.7
453.21219	0.6
465.20996	0.6
469.20230	0.6
481.11618	0.5
485.23608	8.6
535.28802	5.4
557.25916	1.6
646.81787	0.5
666.58148	0.6
693.34570	1.6
733.42047	0.9
779.45538	100.0
780.45929	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63937	0.3
55.01861	0.8
55.05510	1.7
57.03439	1.9
61.02934	4.4
65.03963	0.4
65.53224	0.3
67.05507	4.4
69.03431	3.9
69.07069	2.7
71.01364	0.7
71.05003	0.4
71.24705	0.5
73.02927	3.8
76.41187	0.3
79.05495	4.6
81.03428	4.6
81.07064	5.0
83.04978	1.6
83.08624	1.3
85.02914	5.6
85.06549	0.5
86.09711	0.7
91.03966	3.3
91.05481	4.2
93.07058	3.3
95.04990	1.8
95.08620	2.4
97.02895	3.9
97.06522	0.4
97.10160	0.6
99.04490	1.0
101.02391	1.5
105.07035	3.1
107.04980	1.0
107.08614	2.1
109.02914	0.7
109.10188	1.2
111.08115	0.7
115.03967	0.4
117.07020	0.9
119.08569	2.3
121.06496	0.5
121.10168	1.2
125.00021	0.6
125.09639	0.6
127.03927	1.9
129.05574	0.4
129.07005	0.7
131.08595	1.4
133.06505	0.4
133.10194	1.6
135.08112	0.5
135.11734	0.7
145.10155	0.5
147.11726	1.3
149.09651	0.7
149.13281	0.4
157.10147	1.0
159.11696	0.5
163.11252	0.4
175.11240	0.8
184.07362	2.6
185.04291	0.8
185.07767	0.6
189.11305	0.3
193.12308	1.5
203.05463	0.4
211.13354	0.5
243.08441	3.2
251.12604	1.3
301.09103	0.5
333.20502	2.0
389.22620	0.3
439.19769	0.6
453.21210	0.4
469.20419	6.8
551.28369	4.9
627.30261	0.4
681.33807	0.4
779.41882	100.0
780.29010	0.6
780.42181	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	777.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05509	3.7
57.03433	2.3
60.74129	0.4
61.02935	4.2
64.80543	0.4
65.03941	0.7
67.05507	10.7
68.05837	0.8
68.78927	0.4
69.03439	3.2
69.07066	3.4
71.04977	1.3
71.08616	0.5
71.24807	0.7
73.02921	2.9
79.05493	7.2
80.05830	0.7
81.03423	3.9
81.07056	9.8
82.07376	1.4
83.04980	2.3
83.08611	1.8
85.02920	4.9
85.06496	0.5
86.09714	0.8
91.03961	1.8
91.05482	7.4
92.05847	0.7
93.07048	7.9
94.07388	0.5
95.04965	2.8
95.08611	5.6
96.08937	0.5
97.02911	3.3
97.06538	1.3
97.10191	0.8
99.04457	1.2
99.08131	0.5
101.02394	1.8
105.07045	5.0
107.04984	1.4
107.08612	5.4
109.02909	1.0
109.06541	1.1
109.10156	2.6
111.08081	0.8
117.07054	2.1
119.08581	3.8
120.08990	0.5
121.06533	1.6
121.10123	2.6
123.08199	0.5
123.11686	0.6
124.63218	0.4
125.00023	0.8
125.05962	0.5
127.03934	1.2
129.07011	0.8
131.08530	2.4
133.10150	2.6
135.08080	0.9
135.11690	4.2
137.09669	0.6
141.07051	0.5
143.08600	0.9
145.10136	2.4
147.11717	2.0
148.12036	0.6
149.13304	0.8
151.11198	0.7
157.10185	1.0
159.11774	1.0
161.13260	0.5
163.04053	0.5
163.11191	5.0
181.12289	0.7
184.07443	1.5
193.12312	1.3
211.13422	1.0
215.14478	0.5
219.10161	0.5
227.12794	3.2
243.08409	3.5
249.11006	8.1
259.20657	0.9
260.20978	0.6
267.15973	0.9
268.16431	0.6
269.17477	1.0
270.17975	0.6
285.17075	1.6
286.17505	0.8
305.13641	2.4
333.20773	0.9
333.24377	0.9
355.13092	0.6
389.23282	0.5
398.30112	0.5
439.19540	2.0
453.21048	1.9
461.29193	0.6
467.18954	11.2
469.20474	1.0
479.29755	0.9
480.30661	1.1
544.37341	1.4
551.28278	5.5
562.37903	1.0
643.64362	0.6
679.33167	0.8
759.39587	1.6
777.40314	100.0
778.40356	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	776.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
55.05516	27.3
57.03438	18.4
57.07073	5.5
61.00847	1.7
65.03944	3.5
67.05508	63.4
69.03431	4.0
69.07072	24.8
70.06597	29.6
70.17239	6.8
71.04984	5.8
71.08645	2.1
75.47130	1.6
79.05496	28.8
81.03423	79.4
81.07063	62.8
81.07536	3.8
83.04994	4.9
83.08627	29.5
85.02910	2.0
86.09711	4.5
89.06054	2.3
91.05492	31.2
91.29328	1.6
93.07050	28.9
95.04974	25.0
95.08616	42.6
97.02899	2.2
97.06544	6.8
97.10185	11.3
100.28176	1.7
105.07037	30.3
105.07688	2.4
107.04977	6.5
107.08606	16.2
109.06533	4.1
109.10170	20.3
111.08110	8.5
113.85624	1.9
116.07095	32.1
117.07061	3.7
119.04801	1.8
119.08582	18.2
121.06491	3.7
121.10141	12.8
123.04429	3.1
123.11701	8.1
129.07024	10.5
131.08586	9.3
133.06531	3.4
133.10147	12.2
135.11710	6.0
137.13275	3.1
145.10184	4.9
147.08116	2.8
147.11687	14.8
149.09648	5.9
149.13261	4.5
157.10133	10.9
159.11734	3.3
161.13257	4.9
163.11172	3.2
163.14836	2.2
165.12834	2.2
175.11232	6.5
175.14835	2.9
179.46417	1.7
184.07367	10.4
193.12238	19.5
227.12871	3.0
245.22723	2.9
249.14899	3.2
263.23703	7.3
267.15927	94.6
275.19864	2.0
303.26828	3.3
309.25058	1.8
337.27374	100.0
338.27701	3.1
354.09180	1.8
447.22687	1.8
455.35172	5.9
470.78970	2.0
473.36282	2.8
529.38904	83.0
530.39197	3.1
547.39996	39.8
548.39807	2.0
571.39844	2.7
637.40540	2.1
725.53680	1.9
768.09064	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	777.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.05511	1.4
57.03436	1.9
59.05016	0.9
61.02927	4.5
65.12418	0.5
66.99023	0.6
67.05509	6.7
69.03436	2.8
69.07085	0.7
70.06590	0.8
71.05001	2.3
73.02921	2.9
79.05481	3.0
81.03423	4.4
81.07053	3.2
83.04971	0.7
83.08639	1.4
85.02911	4.5
85.06594	0.7
86.09727	0.7
87.04474	0.8
91.03953	2.7
91.05506	2.6
93.07048	3.5
95.04984	1.5
95.08616	1.5
97.02909	4.2
98.20764	1.8
99.04511	0.9
101.02421	1.5
103.03938	0.8
105.07051	1.6
107.08648	0.8
109.02882	0.6
109.10173	6.5
119.08595	2.2
121.06544	0.7
121.10155	1.2
123.04459	0.7
127.03970	1.8
129.07063	0.8
131.08629	0.9
133.10161	0.6
133.54054	0.5
136.06140	0.6
137.06001	0.6
137.09677	0.7
147.04468	0.8
147.11678	1.3
149.09689	1.6
155.10727	0.8
157.10146	1.0
167.07037	0.8
173.11794	2.4
183.06499	0.6
184.07405	0.7
185.04147	0.6
193.12343	2.1
203.05197	0.6
229.14429	1.7
243.08470	2.5
267.15991	1.1
283.15106	3.7
339.17941	1.3
413.17889	13.3
501.23108	13.7
673.34137	100.0
674.34430	5.9
731.37915	1.1
777.38806	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	775.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
55.05389	5.2
55.05695	3.1
57.03306	2.2
57.03622	1.2
57.06951	2.0
57.07260	1.1
58.70723	0.3
58.71022	0.3
59.04923	0.3
61.02795	7.2
61.03148	3.6
65.03830	0.7
65.04111	0.4
67.05363	12.0
67.05769	4.6
67.15511	0.4
69.03284	4.5
69.03702	1.7
69.06924	6.3
69.07350	2.1
69.16507	3.7
69.18494	0.3
70.06507	0.4
71.01226	0.8
71.04872	0.9
71.08485	1.7
73.02771	5.8
73.03228	1.6
75.04359	0.3
79.05337	7.1
79.05859	1.8
81.03254	2.0
81.06900	13.2
81.07436	3.3
82.64626	0.4
83.04881	0.6
83.08463	4.1
83.09017	1.1
85.02742	8.5
85.03326	1.9
85.06390	0.9
85.10075	0.6
86.09593	0.4
86.10111	0.3
87.04343	0.7
91.03790	4.7
91.04422	0.8
91.05317	7.1
91.05949	1.3
93.06875	9.7
93.07533	1.7
95.04812	1.3
95.08440	10.1
95.09119	1.8
97.02719	8.3
97.03416	1.4
97.06390	0.8
97.10001	2.4
98.20814	0.7
99.04275	1.1
99.04900	0.6
99.07990	0.6
101.02197	1.5
103.03817	0.4
103.05348	0.4
105.04352	0.4
105.06853	10.4
105.07633	1.4
107.04820	0.6
107.08411	5.7
107.09196	0.7
109.02736	0.7
109.03548	0.3
109.06412	0.4
109.09972	4.8
109.10788	0.6
111.07962	0.7
115.03806	0.7
115.05340	0.5
116.06908	1.1
116.07686	0.4
117.06828	5.0
119.08388	11.2
119.09335	1.3
121.06367	0.5
121.09947	3.4
123.07943	0.4
123.11516	2.0
124.99935	0.5
125.09498	0.7
127.03722	1.6
128.06085	0.8
129.06812	4.3
130.07649	0.5
131.08372	11.0
131.09419	1.0
133.09929	5.7
133.11028	0.5
135.07903	0.7
135.11502	2.5
137.09523	0.4
137.13144	0.6
141.06801	1.4
142.07648	0.8
143.08359	5.7
145.04759	0.5
145.09921	11.5
145.11148	0.8
147.11476	4.4
147.12717	0.4
148.22600	0.3
149.09489	0.8
149.13058	1.8
151.10941	0.6
151.14670	0.5
153.12553	0.3
155.08347	2.3
156.09213	0.5
157.09923	5.2
159.11714	5.6
159.12888	0.5
161.13272	3.5
163.11021	0.5
163.14653	1.0
165.06888	0.4
167.08347	1.4
169.10164	3.4
171.11697	3.5
173.13293	2.8
175.14851	2.7
177.16220	0.6
181.10178	1.7
183.11696	2.7
184.07135	1.5
185.13274	3.2
187.14856	3.7
189.16156	1.3
193.19531	0.4
195.11459	1.5
196.31506	0.4
197.13322	2.4
199.14859	3.6
201.12581	0.5
201.16379	2.8
203.14259	0.5
203.17841	0.8
209.13063	1.2
211.14838	2.1
213.16460	2.9
215.17712	1.2
217.19365	0.8
219.20859	0.4
221.13141	0.6
223.14673	1.0
225.16190	1.2
227.18030	1.6
229.19444	0.8
231.20949	0.7
237.16144	1.1
239.17838	0.9
241.19354	1.5
243.20795	0.5
245.22481	0.9
251.17697	0.9
253.19337	0.9
255.21005	0.7
257.18796	0.4
257.22467	1.0
259.20392	0.7
265.19492	0.5
267.20746	0.4
269.18964	0.6
269.22482	0.8
271.23996	0.8
273.21863	0.4
281.22437	0.6
285.18402	0.4
289.21567	0.4
295.20334	0.4
297.21793	0.4
297.25519	0.4
299.20004	0.4
299.23477	0.5
301.25311	0.5
315.23318	0.4
325.25134	0.6
339.26505	0.4
343.25989	0.4
367.29507	0.4
369.31467	0.4
387.28876	0.4
395.33249	0.5
397.34549	0.6
409.35004	0.4
413.34189	0.5
415.35287	0.4
451.35773	0.5
501.35742	0.7
515.37396	0.6
521.43597	4.5
529.39056	0.7
539.44232	1.7
543.40399	0.6
557.43506	0.4
577.45654	0.5
587.61957	0.4
595.47394	4.1
596.47681	0.4
611.46533	1.4
613.48303	100.0
614.48737	7.0
625.47955	0.7
645.40918	0.5
655.49811	0.5
663.42993	0.6
721.50696	1.0
739.51862	0.8
757.52814	1.4
775.53723	17.2
776.53809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.8
55.05515	38.6
55.59748	2.5
57.03442	16.8
57.07074	15.7
61.02925	12.8
65.03938	4.3
67.05506	87.3
69.03413	6.1
69.06732	2.8
69.07069	36.9
69.85651	7.6
71.04979	6.6
71.08614	9.6
73.02899	6.6
79.05494	53.9
81.03414	4.5
81.07061	100.0
83.04990	6.0
83.08627	25.2
85.02922	10.8
85.06528	7.1
85.10167	2.8
86.09711	3.4
91.03942	4.1
91.05483	62.9
93.06489	3.9
93.07050	61.9
95.04943	14.3
95.08615	61.0
97.02882	8.7
97.06522	11.0
97.10210	10.3
98.20770	2.4
98.98441	2.2
99.04455	2.6
99.08066	5.6
105.07033	63.2
107.04968	6.3
107.08607	36.8
109.06520	21.9
109.10166	26.8
111.08114	2.4
113.00022	22.8
113.05988	7.6
115.05461	3.4
117.07018	20.2
119.08583	53.3
121.06515	3.3
121.10141	28.9
123.08073	13.9
123.11700	8.9
125.09628	3.3
128.06236	3.4
129.07018	16.7
130.07700	2.7
131.08559	34.0
133.10132	48.4
135.08064	16.0
135.11697	16.8
137.09578	4.4
137.13184	3.3
141.06941	3.1
142.07764	2.9
143.08559	14.7
143.58716	2.1
144.09264	2.7
145.10123	34.9
147.08028	3.9
147.11682	32.1
149.09630	5.0
149.13249	14.9
151.11205	2.4
155.08559	4.9
157.10136	18.8
159.11690	22.8
161.09651	5.2
161.13242	22.1
162.79179	2.4
163.11191	5.1
163.14847	3.7
169.10136	7.8
171.10345	3.3
171.11647	15.3
173.13243	16.6
175.11223	5.4
175.14838	15.3
177.12712	8.2
179.14317	17.9
181.10188	3.3
183.11746	4.8
184.07394	5.5
185.13297	10.6
187.03630	2.6
187.11203	3.0
187.14781	10.1
189.16388	4.5
191.14336	2.4
195.11665	4.7
197.13272	4.3
199.11237	2.6
199.14792	7.5
201.12828	3.0
201.16478	3.8
203.14212	2.6
205.15878	4.1
205.19344	2.3
209.13326	3.1
211.14790	3.7
213.16455	4.6
215.17981	4.0
217.15791	3.6
225.16411	3.1
227.17880	3.9
231.21013	4.2
239.17908	5.4
241.19577	17.0
243.21039	6.1
257.18954	6.2
259.20569	32.1
261.22003	5.2
263.20206	2.2
263.23541	4.1
271.20544	3.0
273.18536	5.7
273.21790	2.5
275.20056	5.4
277.21674	3.3
279.20810	2.5
289.21591	3.5
291.19534	21.7
301.21643	3.2
308.29623	2.8
313.21606	3.4
315.23270	3.0
319.22601	3.4
329.24725	4.5
331.26334	14.6
333.24261	24.5
335.25845	9.6
337.27350	49.5
338.27451	2.5
339.28870	3.4
355.87308	2.4
367.22549	3.1
385.27551	4.6
387.28772	11.8
389.30554	3.0
405.30307	2.5
408.43988	2.1
497.36502	2.6
505.38828	2.9
521.43573	3.8
539.44458	2.4
585.44635	4.0
595.47754	10.4
603.46228	25.6
604.46967	2.3
607.48566	2.5
611.46747	3.0
613.48248	86.2
614.48126	7.3
629.65973	2.7
663.49799	25.8
679.48053	3.1
702.36938	2.3
703.49384	2.9
757.51648	3.3
775.51782	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	775.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05525	2.4
57.03438	1.7
57.26914	0.4
61.02929	4.0
67.05509	6.2
69.03430	2.5
69.07077	2.6
69.95857	1.9
71.04995	0.5
73.02921	2.3
74.05883	0.5
79.05495	6.8
81.03422	2.9
81.07056	5.9
83.04971	1.2
83.08628	1.5
85.02901	3.4
91.03963	1.8
91.05480	5.1
93.07050	5.1
95.04977	2.4
95.08610	2.5
97.02914	3.0
97.06534	0.6
99.04461	0.7
101.02405	1.5
105.07025	4.0
107.04952	0.6
107.08598	2.4
109.02933	0.6
109.10151	1.6
117.07024	1.1
119.08598	2.7
121.10161	1.5
123.08088	0.5
127.03921	0.8
129.07033	1.0
131.08598	1.0
133.10150	2.0
135.11729	0.7
145.10199	0.9
147.11728	1.7
149.09615	0.7
149.13278	0.6
159.11757	0.4
161.13295	0.7
171.11774	1.3
193.12358	0.6
203.05324	0.8
211.13258	0.7
241.94168	0.5
243.08389	3.1
247.13193	1.4
269.17477	0.6
303.15820	0.8
333.20639	1.3
362.21805	0.5
389.22952	0.6
439.19418	1.0
465.20999	7.6
470.01428	0.5
477.33734	0.6
544.37616	1.1
551.28302	4.8
605.30109	0.5
775.42389	100.0
776.42535	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	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05509	1.9
56.69228	0.4
57.03432	1.8
60.39845	0.5
61.02931	4.5
65.03936	0.5
67.05505	5.9
67.67678	0.4
68.40109	0.4
68.44823	0.4
69.02319	0.4
69.03432	2.6
69.07079	2.0
71.04993	1.0
73.02931	2.8
79.05501	6.0
81.03423	2.8
81.07062	5.4
83.04984	0.7
83.08628	0.9
85.02907	4.1
85.06577	0.5
91.03966	1.7
91.05490	4.7
93.07044	4.7
95.04989	1.7
95.08625	2.5
97.02895	3.7
97.06554	0.7
99.04442	0.9
101.02404	1.5
104.32433	0.4
105.07035	3.4
107.04961	0.6
107.08601	2.2
109.02887	0.7
109.10181	1.6
117.07026	1.3
119.08614	2.1
121.10162	1.1
127.03936	0.7
129.07063	1.0
131.08601	1.2
133.10149	1.6
135.11681	1.2
135.20808	0.4
145.10201	1.2
147.11717	2.1
149.13414	0.5
157.10089	0.7
161.13330	0.6
171.11681	0.8
243.08427	2.9
247.13217	1.5
333.20456	1.1
439.19836	0.7
453.21057	0.8
465.21088	7.2
507.23792	0.5
551.28259	4.7
677.34808	0.6
709.03723	0.5
775.42389	100.0
776.42822	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	775.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.05522	3.0
57.03428	2.3
57.07084	0.6
60.00952	0.6
61.02938	4.2
61.57610	0.6
63.15751	0.6
67.05513	8.8
69.03439	3.8
69.07078	4.3
69.15473	3.5
69.15897	2.5
71.01331	1.0
71.05018	1.1
71.27360	0.5
73.02937	3.9
73.32793	0.6
79.05502	9.0
80.05858	0.6
81.03423	3.6
81.07069	9.3
82.07409	0.8
83.05002	1.4
83.08645	1.7
85.02933	4.5
85.06566	0.6
91.03986	2.3
91.05489	6.3
92.05845	0.8
93.07044	8.4
94.71507	0.6
95.04992	2.6
95.08612	4.0
97.02893	4.7
97.06575	1.5
99.04485	0.9
101.02357	0.9
105.07039	4.4
107.04987	1.2
107.08624	3.5
109.02892	1.2
109.06537	0.7
109.10193	1.9
111.08084	0.9
117.07043	1.7
119.08599	3.8
121.10188	1.4
123.08085	0.6
123.11721	0.7
127.03958	1.3
129.07028	1.2
131.08620	1.6
133.10168	2.6
135.11713	1.7
145.10143	1.3
147.11749	2.2
149.13316	0.8
157.10257	0.6
159.11743	1.0
161.13319	1.0
163.11287	0.7
171.11711	0.9
173.13362	0.7
185.04211	0.8
202.82253	0.7
243.08543	2.5
246.73973	0.5
247.13167	0.8
269.17566	0.9
270.17966	1.1
275.19968	1.1
286.17404	0.6
327.38022	0.6
333.20544	0.9
439.19757	0.7
453.21216	1.0
465.20923	6.2
544.37512	1.0
551.28363	5.4
677.35651	1.0
699.70557	0.7
775.42438	100.0
776.42609	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	775.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	0.7
55.05428	2.2
55.05721	0.7
55.87511	0.4
57.03347	1.4
58.98085	0.4
61.02840	5.0
61.03178	0.9
64.48438	0.4
65.03893	0.4
67.05413	7.9
67.05811	1.2
69.03333	2.4
69.06972	2.3
69.17677	0.8
69.18081	3.3
71.01281	0.7
71.04948	0.5
73.02817	3.0
79.05389	8.0
81.03314	2.7
81.06956	7.2
81.07465	0.5
82.07316	0.6
83.04875	1.9
83.08524	1.8
85.02804	4.3
87.04353	0.5
91.03947	2.8
91.05379	6.6
93.06937	7.7
93.07552	0.7
94.07310	0.7
95.04854	2.3
95.08501	4.4
96.08837	0.5
97.02895	4.5
97.06454	0.9
97.10100	0.6
98.21549	0.9
99.04382	0.9
101.02269	2.2
105.07034	5.1
107.04858	0.8
107.08472	3.2
109.02780	1.2
109.06418	1.0
109.10044	1.7
111.07983	0.5
117.06882	1.3
119.08590	3.4
121.06392	0.5
121.10027	1.4
123.04353	0.9
127.03795	1.6
128.06126	0.5
129.07024	1.9
131.08501	0.7
132.08821	0.4
133.10147	1.9
135.11559	1.3
143.08470	1.0
145.10004	1.7
145.46054	0.3
146.15036	0.4
147.11705	3.8
149.13257	0.5
159.11586	0.5
161.09579	0.7
161.13144	1.6
171.11755	2.6
173.09555	0.4
179.37776	0.4
184.07341	0.6
185.04083	1.2
189.12662	0.8
203.05119	0.5
207.13821	1.0
236.36884	0.4
243.08481	3.9
247.13110	4.2
271.79361	0.4
273.14392	0.5
281.17331	1.3
287.16098	0.6
299.14917	2.0
300.15109	1.4
301.08875	0.9
303.15512	1.7
335.25699	1.6
336.26038	1.6
366.55627	0.4
445.16766	0.4
453.20828	0.6
465.21005	30.4
466.21210	1.5
509.29132	0.6
527.29840	1.7
533.27252	1.5
537.22913	0.8
551.28357	2.5
555.29260	0.6
559.36334	0.5
560.36859	1.5
593.29205	0.7
659.33875	2.1
661.34912	0.5
663.34210	0.6
677.34937	4.3
688.34509	0.9
689.35095	100.0
690.35498	5.9
702.38391	0.4
757.41193	8.2
758.42377	0.5
775.42188	22.6
776.42389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
55.05516	20.7
57.03449	11.4
57.07063	4.5
59.05006	1.6
61.02925	5.1
65.03932	4.3
67.05508	70.6
69.03428	4.6
69.07074	23.4
69.32790	5.1
69.33215	9.3
71.04995	37.5
79.05499	50.5
81.03410	5.5
81.07060	100.0
82.07391	1.5
83.04970	7.8
83.08614	16.0
85.02893	6.1
85.06531	7.4
87.04509	1.9
87.30667	1.9
91.05489	65.8
92.87086	1.8
93.06483	3.6
93.07047	55.6
95.04977	7.7
95.08609	35.4
97.02860	5.5
97.06538	9.9
97.10180	4.1
99.08115	2.1
103.97648	1.6
105.07037	55.9
106.59230	2.0
107.04979	2.7
107.08601	31.2
109.06522	6.0
109.10165	16.1
111.04411	2.0
111.08110	3.6
115.05443	2.5
117.07033	19.9
119.08585	44.1
121.10142	23.0
122.23445	1.7
123.08064	3.0
123.11700	12.0
125.09620	6.9
128.06230	2.7
129.05482	2.4
129.07002	10.8
131.08582	28.6
133.10136	47.5
135.08043	2.5
135.11682	17.7
139.11174	2.7
141.09125	1.8
142.07748	1.9
143.08560	9.2
145.10129	21.4
147.11694	25.2
149.09587	4.2
149.13232	9.4
151.11172	9.1
155.08495	4.0
157.10136	11.4
159.11714	22.0
161.09552	2.1
161.13290	12.8
163.11247	2.8
165.12823	2.0
169.10114	4.6
171.11700	13.8
172.32559	1.8
173.04439	1.9
173.13312	9.0
173.85179	1.9
175.11150	2.7
175.14806	4.7
177.12755	4.3
181.10123	1.9
183.11661	5.3
183.13899	1.8
185.13277	8.2
187.13359	3.9
187.14795	4.2
193.12234	2.9
195.11766	3.9
195.13760	3.2
197.13316	4.7
199.14841	5.4
201.14769	3.6
209.13310	2.3
213.16396	3.4
231.21120	2.8
241.19676	9.7
243.15967	4.7
257.17126	3.3
259.20612	31.1
267.15921	2.5
269.17432	5.3
275.20038	2.9
281.28436	1.7
285.17023	6.5
297.21884	3.2
301.20145	19.4
305.28253	1.7
315.23160	8.1
333.24246	28.5
335.25928	2.3
409.30829	6.5
417.31860	2.1
435.32498	4.9
453.33463	2.5
465.21002	2.4
479.30103	4.0
483.34613	5.2
501.35782	77.3
503.37259	3.2
509.36215	3.5
515.37201	2.8
527.37384	43.2
528.37738	2.0
533.38055	6.4
545.38385	7.5
559.39893	18.2
634.15131	1.9
687.12958	2.2
774.41095	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	775.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
57.03450	1.4
57.07088	0.9
67.05507	3.0
69.14034	1.9
69.14443	6.4
79.05511	1.5
81.07047	2.3
86.09730	0.8
91.05486	2.2
93.07071	1.4
95.08622	2.5
105.07034	1.4
107.08607	1.0
109.10178	1.2
119.08536	0.9
123.04472	1.8
133.10086	0.8
134.18396	0.8
134.30693	0.9
159.11780	0.8
181.60387	0.8
215.03488	1.1
234.32442	0.7
335.25980	1.3
336.26056	1.4
445.16348	1.1
463.17679	1.4
542.34613	1.0
551.26971	1.0
775.40295	100.0
776.40314	5.9
793.96454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05514	24.4
57.03445	21.9
57.07090	3.0
65.03940	3.2
66.62361	1.6
67.05509	74.3
69.03424	4.9
69.07080	13.7
71.04980	4.4
79.05501	53.9
81.03423	100.0
81.07062	69.4
83.04980	6.9
83.08631	23.0
85.02905	2.2
85.06542	2.9
91.05484	38.9
93.07053	57.4
95.04975	32.0
95.08617	49.2
97.02921	4.1
97.06537	6.0
97.10167	7.6
105.07041	26.3
107.04957	6.9
107.08606	34.0
109.06531	5.0
109.10166	22.2
111.08105	7.8
115.05409	3.6
117.07024	10.5
119.08585	24.4
121.06481	5.4
121.10144	30.5
123.08109	4.5
123.11701	9.1
125.09640	5.1
129.07008	12.3
131.08574	20.1
133.06509	2.8
133.10141	16.0
135.11694	16.5
137.09610	2.6
142.07788	4.2
143.08504	3.6
145.10135	15.2
147.08052	4.6
147.11681	16.5
149.09630	7.2
149.13264	10.0
157.10117	13.0
159.11681	10.2
161.13271	8.3
163.11185	2.1
163.14876	4.8
165.12755	3.4
171.11679	3.0
173.13280	6.9
175.11172	12.2
175.14853	4.2
184.07375	5.0
187.14766	1.9
189.11218	2.9
193.12283	20.1
199.14766	2.1
201.16434	2.9
227.12843	5.0
235.13242	2.1
243.21115	7.4
249.15005	4.3
250.32845	1.6
261.22144	19.1
267.15933	96.2
301.25278	6.8
309.17026	1.9
317.24844	4.6
322.91489	1.9
335.25821	89.3
336.26248	3.7
417.31464	2.3
421.25644	2.6
435.27313	2.1
435.32553	5.6
453.33755	10.0
471.34705	3.2
509.36172	1.9
527.37390	57.1
528.37189	2.6
545.38403	41.2
569.38220	2.8
612.46954	2.7
622.07300	2.8
653.38306	2.2
751.63184	2.4
774.52380	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	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.7
55.05511	21.8
56.36060	1.7
57.03442	12.8
57.07065	2.2
61.02912	4.8
61.21407	1.4
65.03933	4.6
66.83916	1.6
67.05512	60.5
69.03416	4.2
69.06724	2.4
69.07077	26.2
69.38540	12.5
71.04984	5.4
73.02902	2.3
79.05075	2.8
79.05503	48.7
81.03428	14.3
81.07066	100.0
83.04999	15.1
83.08626	17.4
85.02894	7.7
85.06535	4.4
90.52909	1.7
91.04919	2.5
91.05486	47.8
92.05795	2.5
93.07054	38.1
95.04971	11.1
95.08614	30.6
97.02886	2.5
97.06535	14.1
97.10186	11.2
99.08101	3.8
105.07043	51.0
107.04972	11.4
107.08601	34.5
109.02856	3.0
109.06536	7.1
109.10165	8.8
111.04422	2.4
111.08079	5.6
113.06000	1.7
115.05459	1.8
117.07036	13.6
119.07800	3.1
119.08594	37.5
121.06566	2.8
121.10155	22.3
123.08116	7.8
123.08852	1.8
123.11720	21.3
125.09631	6.7
127.07612	2.7
129.07031	9.4
131.08592	16.2
133.06543	1.9
133.10147	18.2
135.08055	3.5
135.11697	8.3
137.09625	2.0
137.13252	2.0
141.06961	2.0
143.08565	3.3
145.10141	17.3
147.08002	2.0
147.11702	56.4
149.09621	11.5
149.13295	7.8
155.08534	3.6
157.10162	6.8
159.11699	9.2
161.13264	3.7
163.11229	8.4
165.12782	17.6
171.11725	4.0
173.13310	3.1
175.11195	4.1
177.12877	2.3
179.14139	1.7
183.11757	2.3
183.13817	2.1
183.87148	1.9
185.13316	1.8
189.11269	3.5
193.12256	7.6
195.13853	3.9
206.05119	1.9
209.11728	2.0
211.13269	4.2
227.12836	10.3
229.14409	6.0
239.18047	2.7
255.15984	4.1
257.19031	6.5
259.20596	4.6
267.15955	52.6
268.16367	3.0
269.17422	11.3
275.20090	29.4
285.16992	57.3
290.50714	2.1
291.19614	2.5
293.21149	3.9
301.16559	2.5
309.08173	1.5
331.22488	3.1
333.24240	2.9
347.22580	1.7
349.23746	24.7
350.24005	1.9
367.24612	4.6
413.21841	2.0
437.02756	1.7
437.25183	4.4
439.27277	2.9
459.27615	2.6
465.28467	11.6
467.31134	2.0
479.30035	35.8
513.52155	1.9
541.35205	8.4
559.36328	42.6
577.37067	7.4
774.40179	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.0
55.05515	22.0
57.03442	12.3
60.69194	1.4
61.02921	4.6
65.03931	5.0
67.05509	65.5
69.03415	8.0
69.07067	28.2
69.94891	6.2
71.01360	1.7
71.04992	6.8
73.02925	1.8
79.05495	50.6
81.03424	12.1
81.07061	100.0
81.63128	1.6
83.04984	11.9
83.08633	16.5
85.02914	6.8
85.06545	5.5
91.05486	56.1
93.06482	2.9
93.07053	45.4
95.04977	9.9
95.08607	32.9
97.02903	5.4
97.06492	8.5
97.10159	3.3
98.20831	2.0
99.04555	1.5
99.08102	4.5
105.07037	56.4
107.04964	4.5
107.08596	28.1
109.06548	6.2
109.10154	11.5
111.04450	3.3
111.08085	4.8
115.05468	2.1
117.07034	12.8
119.08585	45.2
121.06477	4.0
121.10157	26.9
123.08090	7.3
123.11716	22.9
125.09637	2.4
127.03934	5.2
127.07526	1.6
129.05473	4.2
129.06996	6.2
131.08569	15.1
133.10144	25.4
135.08002	3.3
135.11743	10.4
137.09621	4.4
137.13248	1.7
141.09111	2.3
143.08571	8.3
145.10097	11.1
147.11694	64.2
148.12099	2.5
149.09633	7.1
149.13257	11.5
151.11230	2.1
155.08507	1.6
157.10156	4.8
159.11694	12.0
161.09630	1.8
161.13289	9.9
163.11168	3.0
165.12762	21.3
167.10529	1.5
171.11700	4.7
173.11792	1.9
173.13260	4.1
175.11165	3.4
175.14774	3.6
177.12801	3.7
179.14328	2.9
183.13892	3.4
185.13289	3.8
189.16382	2.1
193.12234	3.6
195.13788	5.3
195.77518	1.7
211.13332	2.3
227.12785	2.4
229.14389	9.6
231.21094	2.4
241.19499	8.6
257.19003	2.7
259.20590	20.4
267.15921	40.3
269.17490	17.5
275.20081	14.9
283.15509	2.1
285.17001	46.9
291.19537	2.3
293.21021	2.2
333.24265	24.7
349.23770	7.7
351.25320	3.7
425.96179	1.6
435.31647	1.6
439.25702	1.6
479.30084	20.8
491.30417	2.1
525.35992	2.5
543.36670	13.7
559.36542	4.4
561.37769	5.2
577.37128	2.2
774.41223	8.7
775.42059	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	19.1
55.05275	3.4
55.05517	50.0
57.03439	29.9
61.02934	5.2
65.03946	5.2
67.05510	84.9
67.22902	2.5
68.46319	2.3
69.03445	16.0
69.07069	47.3
69.20874	24.9
71.04996	9.5
79.05499	79.8
79.50022	2.7
80.05862	2.8
81.03420	100.0
81.06586	5.0
81.07061	97.4
82.07378	2.7
83.04985	35.2
83.08627	45.8
85.02908	36.0
85.06535	5.6
91.03966	2.7
91.05487	90.1
93.07048	76.3
95.04970	38.7
95.08060	3.9
95.08612	45.3
96.81815	2.5
97.02896	10.5
97.06528	21.4
97.10174	25.1
99.08078	5.9
105.07040	74.4
107.04965	20.8
107.08611	53.7
109.02859	2.4
109.06516	8.9
109.10132	12.7
111.04461	2.4
111.08094	18.7
113.06006	4.3
113.73560	2.6
117.07047	22.6
119.08583	52.4
121.06539	4.5
121.10153	26.6
123.08057	8.7
123.11710	6.1
125.09647	20.3
128.06229	3.1
129.07019	24.7
131.08574	37.0
133.06493	6.8
133.10139	41.9
135.08073	6.8
135.11700	13.5
137.09642	4.6
142.07822	5.3
143.08603	5.1
145.10143	19.9
146.15320	2.3
147.08064	5.8
147.11693	30.3
149.09628	27.4
149.13248	8.0
151.01802	2.6
151.11250	3.2
153.09122	3.2
155.08585	3.4
157.10159	24.2
159.11740	18.3
161.13368	5.2
163.11206	14.1
165.12703	4.9
169.10152	2.9
171.10187	3.5
173.13213	4.9
175.11168	24.7
183.11690	4.1
187.01877	2.9
189.11176	5.7
193.12267	65.2
195.13857	7.1
211.13295	93.7
212.13580	3.6
220.29976	3.1
227.12808	29.7
239.17986	3.5
245.13733	3.8
247.20561	4.3
255.15945	10.2
257.19025	10.1
267.15945	41.1
269.17477	23.4
275.20078	52.9
285.16971	84.0
331.22488	4.4
349.23749	51.8
367.24921	5.4
410.56149	2.4
432.89731	2.6
437.25229	4.6
439.26892	4.0
443.27963	3.0
447.27237	7.2
455.26239	6.1
461.28970	17.1
463.30392	3.9
465.28391	11.4
479.30096	56.9
541.35242	22.1
559.36371	55.6
559.45221	2.5
560.37006	3.4
577.37396	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.0
55.05271	2.8
55.05513	34.8
55.75219	2.0
57.03447	26.0
57.07063	4.1
61.02925	4.9
62.26122	2.3
65.03939	6.2
67.05511	83.8
69.03448	11.6
69.07078	29.6
71.04985	10.0
79.05069	4.4
79.05499	67.7
81.03426	77.5
81.07065	100.0
83.04994	24.8
83.08630	35.2
85.02918	24.5
85.06523	5.7
91.05490	75.8
93.06484	5.0
93.07058	77.0
93.21721	2.2
95.04980	38.8
95.08629	32.9
97.02888	9.4
97.06561	15.1
97.10162	10.3
97.94576	2.4
99.04470	3.1
99.08076	4.2
105.04550	2.5
105.07037	52.7
107.04977	15.9
107.08607	42.7
109.06505	13.1
109.10170	14.6
111.04462	3.5
111.08094	16.3
113.09638	2.8
115.05452	3.1
115.07610	2.3
117.07024	15.8
119.08596	36.9
121.06510	5.8
121.10161	26.9
123.08060	8.4
123.11681	4.7
125.09631	9.8
125.13268	2.5
127.03951	4.1
128.06187	3.7
129.06987	17.0
131.08571	32.5
133.06502	5.7
133.10133	33.4
135.08044	6.4
135.11711	15.8
137.09669	2.7
143.08571	4.9
145.10144	17.6
147.08052	5.7
147.11711	24.4
149.09631	19.2
149.13257	12.5
155.08560	3.6
157.10138	21.8
159.11717	15.3
161.13226	4.4
163.11292	11.6
165.12755	4.4
171.11685	3.9
173.09602	2.8
173.13249	5.9
175.11227	13.7
177.12730	2.6
183.11595	4.0
185.13295	3.3
189.11298	3.0
193.12265	44.3
195.13791	8.2
197.13286	3.2
211.13321	65.3
227.12744	10.2
230.52783	2.6
239.18050	3.0
240.41057	2.6
255.15894	13.7
257.18982	9.4
259.20721	3.7
267.15952	39.7
269.17487	37.7
273.18488	4.3
275.20059	28.3
285.16995	53.4
291.19528	4.5
328.78976	2.6
349.23816	18.3
367.24875	3.5
434.59262	2.8
447.27173	9.6
461.28952	32.5
463.30533	2.7
465.28452	12.9
479.30090	66.3
480.30194	3.0
541.35413	15.7
559.36310	36.3
577.36975	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
55.05309	2.5
55.05515	26.2
57.03439	18.9
57.07077	3.8
61.02921	15.5
65.03938	5.6
67.05508	87.0
67.29814	2.7
69.03423	8.7
69.07076	24.5
70.90628	5.8
71.04989	8.9
72.74183	3.1
73.02909	8.2
79.05492	71.9
81.03420	7.8
81.07059	79.3
83.05003	3.4
83.08609	12.5
85.02908	14.8
91.03947	7.9
91.04899	4.2
91.05481	70.3
93.06483	5.2
93.07044	75.6
95.04968	10.1
95.08610	63.9
97.02892	11.1
97.06538	4.9
97.10159	8.3
98.96438	3.2
99.08070	4.6
105.07034	66.8
107.08602	44.9
109.06541	3.6
109.10172	22.7
111.11657	3.1
117.07000	21.5
119.07795	4.9
119.08582	52.3
121.10149	34.9
123.08063	4.1
123.11710	8.1
128.06192	5.0
129.06999	15.9
131.08563	34.1
133.10129	45.2
135.11690	22.7
137.13200	3.8
141.06978	4.1
143.08577	18.0
145.06390	3.4
145.10124	36.3
147.08067	4.0
147.11685	36.1
149.13315	13.5
155.08542	8.6
157.10123	20.9
159.11694	29.8
161.13266	26.4
163.14784	6.7
165.06993	4.1
169.10104	10.4
171.11716	13.9
173.13293	20.6
175.14812	13.6
181.10068	2.9
183.11685	9.7
185.13210	12.7
187.14830	8.4
197.13222	7.7
199.14893	9.8
201.16426	5.1
209.13394	3.9
211.14850	3.9
215.68851	2.8
225.16270	4.0
231.21005	3.5
239.17957	5.3
241.19576	21.3
243.21092	3.8
257.18982	8.3
259.20596	44.9
261.22205	5.0
269.18869	3.6
271.20560	3.8
275.20142	4.1
331.22568	3.9
333.24225	31.4
335.25818	76.6
337.27448	4.1
367.22531	4.3
459.27548	3.4
519.42102	6.9
593.45557	10.1
609.45410	3.5
611.46698	100.0
612.47131	8.2
677.48157	4.5
719.48621	3.8
737.49292	5.4
773.52142	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01825	1.0
55.05456	8.0
57.03379	3.4
57.07019	2.3
61.02868	11.5
63.19260	0.6
63.50099	0.6
65.03880	0.8
67.05441	15.7
67.05835	1.0
69.03434	7.2
69.07005	8.1
69.07414	1.2
69.91728	2.0
69.92139	1.2
71.04953	1.3
71.08562	0.8
73.02923	7.0
79.05495	10.9
81.03411	3.6
81.07066	16.4
83.04931	1.4
83.08620	4.5
85.02905	9.1
85.06483	0.8
91.03964	5.3
91.05487	10.2
93.07049	11.1
95.04911	1.4
95.08611	13.4
97.02900	7.6
97.06476	1.6
97.10191	2.8
99.04387	1.4
101.02317	1.9
105.07028	10.7
107.08593	6.1
109.02840	1.3
109.06475	0.9
109.10178	6.0
111.08035	0.7
115.03852	0.7
115.05430	1.0
117.07044	5.6
119.08584	8.9
121.06388	0.6
121.10163	4.2
123.07996	0.7
123.11631	2.1
125.09574	0.6
125.22565	0.6
127.03845	2.0
128.06181	1.1
129.05434	0.6
129.07011	6.9
131.08578	11.1
133.10147	5.6
135.08020	0.8
135.11684	2.9
141.06932	2.0
142.07671	1.7
143.08565	9.4
145.09108	1.0
145.10130	9.6
147.11673	3.9
149.09625	0.7
149.13184	1.7
155.07625	0.5
155.08545	4.8
156.09244	0.7
157.10155	9.4
159.11711	8.0
161.13193	1.8
165.06960	0.6
167.08513	1.7
169.10110	5.6
171.11710	9.0
173.13251	4.3
175.14804	1.3
177.16354	1.0
179.17810	0.7
181.10075	3.2
183.11720	6.3
183.69131	0.6
185.13275	6.2
187.14766	1.7
189.16310	1.0
191.17960	0.6
193.10085	1.0
195.11652	2.6
197.13264	4.0
199.13258	0.7
199.14874	3.6
201.16335	1.9
203.17871	0.6
207.11739	1.3
209.13312	2.8
211.14862	2.8
213.16353	2.4
215.17912	1.6
221.12997	0.7
222.13843	0.6
223.14781	1.6
225.16356	2.4
227.17897	2.2
229.19456	1.2
235.14639	1.1
237.16362	1.5
239.17926	2.2
241.19412	1.9
243.21100	1.2
249.16315	0.9
251.17958	0.8
253.19472	0.7
255.21185	0.9
257.18951	0.7
259.20471	0.9
265.19418	1.0
267.20956	0.9
269.19022	0.6
269.22604	0.7
295.24081	0.6
297.22095	1.0
311.23517	0.8
315.23163	0.7
339.26971	0.9
344.04657	0.6
369.27731	0.8
381.31720	0.8
393.31796	0.8
519.42029	5.0
527.36932	0.7
537.43408	3.5
541.39233	1.3
555.40881	0.7
556.35773	0.6
561.42322	0.6
573.43884	0.7
593.45679	6.3
609.44922	1.9
611.46735	100.0
612.47137	7.0
623.46667	0.7
737.49817	1.1
755.51031	1.9
773.51935	20.5
774.53229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05518	4.0
57.03447	3.4
61.02943	3.8
67.05509	12.0
68.05824	0.6
69.03435	3.0
69.07069	4.3
71.05005	2.1
71.40349	0.5
73.02921	3.1
74.84724	0.6
79.05501	11.0
79.94028	0.6
80.05849	0.6
81.03429	3.9
81.07068	10.3
82.07407	0.8
82.07950	0.5
83.04987	2.6
83.08620	2.6
83.13892	0.6
85.02916	4.9
85.06565	1.1
86.09729	0.5
91.03976	2.2
91.05486	11.5
92.05806	0.8
93.07058	8.6
95.04968	4.5
95.08611	6.4
97.02907	4.0
97.06557	1.0
97.10157	1.4
98.21560	1.2
98.81956	0.8
99.04475	1.3
101.02396	0.8
105.07038	8.4
107.04985	1.3
107.08597	5.8
109.02882	1.2
109.06522	1.8
109.10169	3.2
111.08112	1.1
117.07035	3.7
119.08591	6.5
121.06519	1.0
121.10162	2.2
123.08127	0.9
123.11727	0.7
125.00027	0.6
127.03928	1.2
128.06256	1.1
129.07076	2.7
131.08578	3.6
133.10141	4.4
135.08096	0.9
135.11722	2.3
137.09732	0.8
139.11096	0.7
143.08534	0.9
145.10159	1.9
147.08130	0.8
147.11671	3.5
149.09665	0.8
151.11215	0.7
157.10162	1.7
159.11684	1.3
161.09625	1.0
161.13330	0.6
163.11230	0.6
171.11731	2.3
173.11728	0.6
175.11293	1.3
183.11794	1.0
184.07404	2.3
185.04243	0.8
185.13315	1.1
191.29175	0.6
193.12347	0.6
207.13893	0.6
210.45729	0.6
223.13374	0.6
229.50584	0.8
243.08485	3.3
247.13168	1.0
253.14407	1.0
259.20581	1.4
269.17459	1.1
272.29477	0.6
275.20096	1.1
285.17105	2.4
291.19623	0.9
301.09177	0.7
331.18777	2.7
333.24277	1.2
349.24026	0.6
465.20993	8.8
475.37433	0.6
479.30081	0.8
501.36252	0.8
549.26508	5.0
611.44928	0.8
635.36584	0.7
724.43268	0.7
755.39514	2.1
773.40845	100.0
774.40973	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	773.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
65.03923	1.1
68.99791	1.1
70.06606	0.9
71.51028	0.9
91.05477	1.4
95.05003	0.8
111.04452	4.2
115.05464	1.1
123.04425	4.0
127.03950	1.1
135.04390	1.0
136.01544	0.8
137.05960	0.9
139.03915	100.0
140.04288	1.0
149.05975	3.0
151.03909	5.0
153.05447	1.3
160.05215	1.7
161.06053	4.1
163.03912	7.0
165.05531	1.1
167.03506	0.9
169.05061	1.0
171.07990	1.1
173.09654	1.1
175.07564	3.5
177.05548	1.1
179.03426	1.9
186.06786	1.1
187.07590	1.7
189.09140	3.8
191.06984	1.0
191.10692	2.8
197.09763	0.9
200.08424	0.9
201.01779	0.8
201.09143	5.2
203.10689	0.9
213.09155	1.1
215.10736	5.8
217.08534	1.1
219.10225	8.5
225.09106	1.1
231.10237	2.1
236.17343	1.1
243.10052	4.2
271.06177	1.1
277.06970	1.0
303.56238	1.0
325.10706	1.8
351.12341	2.7
369.13394	2.5
386.73929	0.8
418.40280	0.9
463.50458	0.8
507.16080	1.2
515.52502	0.9
542.45892	1.0
773.27502	1.7
783.83966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05514	2.6
57.03442	3.1
60.42427	0.4
61.02930	3.9
65.03932	0.7
67.05508	9.0
69.03436	2.5
69.07060	2.2
71.01348	0.4
71.04979	0.5
73.02926	3.3
76.35680	0.4
79.05492	8.3
81.03430	3.3
81.07056	7.2
82.07401	0.5
83.05006	1.8
83.08636	1.7
85.02913	3.9
85.06551	2.3
87.04468	0.8
91.03954	2.4
91.05489	8.0
92.05879	0.6
93.07047	7.8
94.38042	0.4
95.04973	6.0
95.08620	3.8
97.02899	3.9
97.06568	1.1
99.04451	0.5
101.02408	1.2
105.07036	5.5
107.05000	1.6
107.08608	3.3
109.06505	2.4
109.10195	1.3
111.08147	0.7
113.06017	3.8
117.07046	1.6
119.08578	4.3
121.10178	2.0
123.08086	1.3
125.09619	0.7
127.03960	1.0
128.06247	0.5
129.07033	2.4
131.08601	1.4
133.10114	2.3
135.08060	1.9
135.11722	1.2
143.08594	1.7
145.10150	2.0
147.08064	1.3
147.11678	2.6
149.09575	0.6
151.11217	0.6
153.81404	0.5
157.10175	1.0
159.11684	0.7
161.09639	0.6
161.13246	1.0
165.09178	0.5
171.11681	2.0
184.07445	1.0
189.12779	0.5
203.05368	0.6
209.79198	0.4
211.13409	0.8
243.08401	3.1
247.13193	1.1
267.16000	0.9
273.18570	0.6
275.20267	1.2
281.17682	0.5
283.15332	0.6
285.17068	1.3
291.19714	1.4
292.20065	0.5
331.18869	4.2
349.23886	0.6
352.28540	0.5
387.21597	1.6
465.20944	9.6
541.35480	0.5
549.26727	6.7
558.34973	0.8
559.36108	0.8
576.36365	1.8
577.37732	0.6
773.40826	100.0
774.41138	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	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.05039	0.9
57.03435	0.1
57.07078	0.1
58.06638	0.4
59.07400	0.1
60.08167	5.7
65.03925	0.1
67.05502	0.3
69.07065	0.3
70.06589	0.1
71.07375	3.6
71.08651	0.1
71.51929	0.1
76.10875	0.1
79.05505	0.3
80.97441	0.1
81.07066	0.6
83.08611	0.2
86.09707	28.9
87.10042	0.3
91.05501	0.2
93.07039	0.3
95.04974	0.1
95.08610	0.3
97.10171	0.1
98.98468	3.7
104.10748	2.0
105.07026	0.3
107.08616	0.2
117.07043	0.1
123.11692	0.1
125.00007	20.9
126.00349	0.1
130.08675	0.1
131.08583	0.1
133.10146	0.1
134.91341	0.1
137.09561	0.1
143.00996	0.2
145.10225	0.1
146.27548	0.1
147.11685	0.1
159.11678	0.1
184.07344	100.0
185.07724	0.9
231.43002	0.1
246.58420	0.1
308.29453	1.1
309.29651	0.1
336.25299	0.3
339.29187	0.2
347.25790	0.2
348.26038	0.2
366.27136	0.1
430.65305	0.1
496.33731	0.2
498.29718	0.1
601.44403	0.1
611.46088	0.3
660.52301	0.2
754.53833	3.7
755.53320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91547	0.9
68.99780	2.6
69.03392	1.2
70.29737	2.2
70.30151	2.6
83.04951	1.4
85.02910	1.2
93.03420	1.5
111.04446	4.0
123.04476	6.1
125.26725	1.0
127.03891	1.1
128.13533	1.0
129.07033	1.4
131.04979	1.6
135.04375	1.5
137.05934	1.6
139.03911	100.0
140.04295	1.8
145.06543	0.9
147.04454	1.1
149.06012	3.2
149.34348	1.0
151.03909	5.8
153.05521	1.7
160.05176	1.2
161.06009	5.0
163.03926	10.1
165.05531	1.4
167.07092	2.2
173.06006	1.5
173.09637	2.0
175.07570	4.2
177.05537	2.3
179.03369	2.0
181.04927	1.1
187.07646	1.1
189.09120	4.4
191.10693	2.0
201.09183	5.1
206.19948	1.0
214.06372	1.7
215.10681	4.0
219.10211	8.5
225.09081	1.9
231.10127	3.1
240.55841	0.9
243.10274	5.1
281.01596	1.1
325.10785	1.8
351.12262	2.1
369.13400	2.4
445.16415	1.2
536.36084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	16.7
55.05272	2.7
55.05516	36.7
56.84067	2.0
57.03444	15.3
57.07066	4.2
58.47985	2.0
59.04995	2.9
61.02924	4.0
65.03933	5.4
67.05509	99.1
69.03429	9.0
69.07073	29.6
69.16375	5.7
69.16785	14.2
71.04993	11.7
71.08631	14.7
73.02906	5.1
77.03898	2.0
79.05499	96.4
81.03421	25.1
81.07063	100.0
82.03773	2.0
83.04987	32.7
83.08624	22.5
84.25858	1.8
85.02920	7.9
85.06540	8.7
91.04915	4.3
91.05486	93.2
93.07053	97.3
93.98154	2.0
95.04977	26.9
95.08620	49.6
97.02891	9.5
97.06533	19.8
97.10170	11.4
99.04463	3.9
99.08096	9.5
103.05461	3.3
105.04511	3.8
105.07040	63.7
107.04958	11.7
107.08611	47.9
109.02859	3.1
109.06519	9.3
109.10166	26.7
111.04453	26.3
111.08086	15.0
113.05991	2.4
115.05445	4.0
117.07024	24.6
119.08585	44.0
121.06510	7.3
121.10146	21.7
123.08033	5.7
123.11732	4.4
125.09612	6.8
127.03915	6.6
128.06233	5.5
129.05530	3.9
129.07007	23.0
131.08594	20.8
133.06464	3.1
133.10136	25.4
135.08044	8.1
135.11702	25.7
137.09613	5.3
143.08571	13.2
145.06444	2.6
145.10132	27.1
147.08026	3.7
147.11707	40.4
149.09633	8.2
149.13271	11.1
150.13628	2.2
151.11180	19.1
153.12808	14.0
157.10103	6.2
159.11714	13.7
159.12843	2.3
161.09711	2.6
161.13272	15.4
163.11203	31.8
165.12807	2.9
169.10194	3.2
171.11699	21.3
173.09694	4.9
173.11734	3.0
173.13153	3.5
175.11171	3.3
177.12784	5.1
179.14326	5.5
181.12245	19.6
184.07358	9.4
185.13350	2.7
189.11232	2.9
189.12767	7.9
191.10667	11.8
193.12212	2.5
195.13802	3.5
199.14857	3.3
207.13815	25.9
209.11786	5.1
225.14810	2.4
227.12796	33.5
253.14330	11.8
257.19043	5.5
259.20615	6.1
267.15918	3.3
269.17584	16.6
273.18674	2.6
275.20078	19.2
277.21579	16.3
281.17487	64.1
283.15421	35.8
285.17023	6.1
291.19598	3.8
301.16544	15.1
331.22656	2.6
349.23709	15.4
351.25348	24.6
365.23141	3.8
367.24759	2.9
379.24921	2.9
413.21393	2.6
435.27386	4.2
451.26862	7.8
459.31076	3.9
475.30579	82.1
476.31085	4.5
477.28195	3.1
495.29709	12.3
506.36041	2.5
543.36633	6.7
557.38580	47.6
558.39319	2.4
575.35370	25.4
589.44397	2.5
593.37036	3.1
610.44580	5.7
618.00531	2.6
773.40558	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	772.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.3
55.05516	19.8
57.03445	11.3
61.02925	1.2
65.03937	3.2
65.85228	1.1
67.05510	44.4
68.05888	1.3
69.03430	3.9
69.07076	24.6
69.32750	4.5
69.33177	4.7
71.01347	1.2
71.05001	5.7
72.08169	1.4
73.02918	2.0
77.03918	1.1
79.05499	48.8
81.03433	8.5
81.07059	52.0
83.04979	7.6
83.08622	14.2
85.02902	2.0
85.06548	2.3
88.90731	1.3
91.05486	29.5
93.07048	63.6
94.10085	1.0
94.86912	1.4
95.04977	11.6
95.08614	47.2
97.02891	6.3
97.06537	13.2
97.10163	4.9
99.04456	5.3
103.05471	1.6
105.04559	1.3
105.07038	21.4
105.07705	2.3
107.04962	12.9
107.08601	46.3
109.06521	5.0
109.10186	10.3
111.04466	2.5
111.08114	3.5
115.05476	1.6
117.07021	19.6
119.08588	22.9
121.06517	15.7
121.10144	18.8
123.08115	2.7
123.11694	1.6
125.05953	2.9
125.09665	4.2
126.81375	1.1
127.03951	1.6
128.06189	1.1
129.07021	3.2
130.07784	1.8
131.08565	10.9
133.10156	15.8
135.08092	5.7
135.11702	59.4
137.09676	1.8
139.07529	2.7
143.08548	2.8
145.10135	38.1
145.11287	2.0
147.11694	5.9
149.09602	7.1
149.13248	7.7
151.11136	1.8
153.12813	1.5
155.08542	2.9
157.10078	3.2
159.11679	6.4
161.13268	1.9
163.11192	65.5
169.10147	1.1
173.09648	1.4
173.13226	2.9
175.11201	1.7
177.12712	2.1
179.14259	1.6
181.12227	12.8
192.37529	1.2
193.12227	1.6
195.13792	3.5
209.11761	3.4
227.12796	93.7
239.17938	2.7
247.20673	1.5
251.16472	1.9
253.14378	2.8
255.15887	10.9
257.19016	7.8
259.20667	1.9
267.15985	3.2
269.17514	36.4
270.17587	1.3
273.18411	1.9
275.20090	17.9
283.15411	70.2
284.15939	1.5
285.16843	2.5
291.19641	3.2
293.21027	2.4
299.14999	1.2
331.23013	1.4
333.24149	1.8
349.23749	21.1
365.22989	1.5
366.20712	2.8
367.24695	4.2
403.21609	1.2
437.25461	1.5
461.29044	1.4
463.26984	23.5
476.79471	1.2
477.28522	100.0
478.28723	4.6
557.34747	26.9
575.35614	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	772.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.2
55.05275	2.9
55.05516	37.3
57.03439	24.6
59.04742	2.3
59.05005	25.9
61.02919	1.9
62.68881	1.8
65.03928	5.8
67.05510	87.6
69.03423	6.1
69.07071	10.5
70.75965	4.9
71.01331	3.1
71.04996	19.2
73.35474	2.2
79.05499	51.5
81.03422	100.0
81.07061	50.8
82.07383	2.7
83.04992	20.4
83.08619	32.6
84.24414	2.2
85.02885	9.0
85.06543	4.6
87.04469	23.1
91.05489	54.9
92.05827	2.1
93.06488	2.6
93.07044	37.5
95.04964	35.9
95.08615	21.3
97.02883	10.0
97.06541	12.9
97.10181	21.6
99.04488	10.0
101.06071	3.0
103.05502	2.4
105.07037	31.5
105.96425	1.8
107.04955	22.9
107.08610	24.0
109.02849	2.8
109.06519	9.6
109.10165	51.6
111.04459	14.7
111.08082	16.2
113.06011	2.3
113.87223	2.2
115.05428	2.5
117.07013	10.6
118.05292	2.0
119.04922	6.3
119.08587	30.2
121.02821	2.2
121.06516	10.8
121.10136	19.6
123.04426	9.0
123.08043	6.2
125.05975	2.2
125.09633	12.4
125.10435	1.9
126.13667	1.9
129.06998	17.5
131.04906	2.8
131.08569	24.8
133.06483	7.4
133.10155	15.3
135.04411	9.8
135.08041	5.6
135.11732	9.9
137.05962	5.0
137.09616	5.3
139.03854	3.2
142.07787	3.6
143.08562	5.3
145.10126	14.3
147.04446	16.2
147.08018	7.1
147.11693	20.1
148.04831	2.7
149.05914	2.6
149.09633	22.1
153.09093	5.0
153.12752	11.6
155.10664	6.2
157.06543	2.4
157.10123	17.2
159.08089	2.4
159.11710	3.0
161.05922	5.8
161.09634	2.7
162.40527	2.0
163.11166	14.5
165.12735	4.1
167.10690	3.7
173.09630	4.9
173.11739	7.7
173.13210	3.3
175.11205	18.0
177.12720	2.4
178.47879	1.9
181.12212	8.6
183.11693	3.5
185.13318	4.9
187.11250	2.9
189.11226	7.8
189.12744	2.5
191.10670	8.6
193.10431	3.8
193.12248	59.0
197.15466	3.6
199.13310	7.7
205.12234	3.7
207.13727	4.5
209.11797	13.7
211.13312	46.7
215.10725	2.5
217.12178	4.5
219.13776	4.0
221.15477	2.5
223.13266	3.6
225.14877	12.6
227.12773	20.6
229.12183	4.2
229.14363	38.8
231.13776	6.8
235.13286	6.3
241.14386	2.4
241.53191	2.0
247.13293	9.0
249.14874	17.8
257.15396	2.6
259.13171	3.1
265.14380	2.5
267.15936	65.1
283.15448	14.8
283.24194	2.3
309.17093	2.7
315.18262	3.2
319.15228	2.0
337.21548	6.5
347.20074	2.4
355.22595	8.0
365.21106	7.3
373.23608	6.5
381.13593	2.9
383.22125	25.5
401.23254	20.7
415.25027	2.4
419.23962	3.0
421.25803	27.7
429.62140	2.1
433.26108	9.4
447.27301	3.4
457.25793	7.5
463.26999	2.3
475.27045	21.4
489.28506	2.6
493.27853	7.5
507.29443	19.5
525.30530	7.8
610.34454	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.5
55.05515	20.5
57.03443	9.8
57.07078	1.6
59.69495	1.2
65.03928	2.7
67.05507	38.8
69.03419	3.6
69.07072	21.6
69.53819	8.7
71.04995	4.8
73.02919	1.7
73.37097	1.4
77.03896	1.3
77.39941	1.5
79.05496	48.6
81.03424	6.9
81.07063	40.7
83.04998	8.9
83.08622	14.1
85.02892	1.9
85.06522	1.5
85.17059	1.4
91.05485	25.9
93.07049	52.3
95.04977	9.2
95.08613	44.2
97.02889	4.2
97.06540	12.6
97.10172	7.6
99.04445	4.0
105.04504	1.4
105.07033	26.3
107.04977	9.8
107.08600	43.3
109.06520	5.0
109.10153	9.2
111.04423	1.9
111.08092	3.8
117.07030	19.8
119.08588	22.7
121.06525	9.7
121.10150	16.3
123.08045	2.7
123.11742	1.8
125.05972	3.0
125.09613	7.8
129.07050	2.6
130.07768	2.4
131.08560	8.9
133.10136	15.2
135.08044	4.3
135.11700	57.0
139.07523	2.7
142.07791	1.6
143.08553	3.6
145.10133	38.6
147.08029	1.8
147.11681	4.8
149.09616	6.9
149.13264	3.9
151.11125	1.7
157.10152	2.5
159.11703	8.9
161.13254	2.0
163.11194	69.3
164.11488	1.3
169.10237	2.4
171.11620	2.7
173.09647	1.8
173.13310	3.6
173.18115	1.5
175.11263	2.3
175.14824	1.7
181.12248	7.7
189.11287	2.8
193.12096	1.5
194.50330	1.3
209.11656	2.7
227.12794	100.0
228.13286	1.9
229.14278	1.3
239.18008	2.0
247.20425	1.5
253.18164	1.7
255.15936	5.4
257.19086	7.5
267.16129	2.0
269.17517	10.9
273.18457	1.5
275.20093	22.2
276.02267	1.3
283.15408	59.2
291.19580	2.8
293.21225	2.7
324.26740	1.5
331.22592	3.4
349.23737	34.3
367.24478	1.9
379.21350	1.9
396.54150	1.4
413.21628	1.4
437.25082	2.3
453.24780	4.5
461.28659	2.4
463.26840	11.6
477.23398	0.9
477.28430	38.6
557.34790	41.4
558.35284	2.7
575.35809	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	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.05512	9.7
57.03430	5.0
57.07058	1.5
61.02928	14.0
65.03964	1.0
67.05180	1.4
67.05507	17.5
69.03431	7.1
69.07073	11.3
69.16595	9.7
69.16985	2.5
71.04973	1.5
73.02925	7.2
79.05495	12.8
81.03415	3.2
81.07060	18.9
83.04974	1.4
83.08623	4.7
85.02913	10.5
87.00075	1.0
91.03972	7.4
91.05495	9.9
93.07052	12.9
95.04956	2.0
95.08615	15.3
97.02901	12.3
97.06523	1.7
97.10172	1.9
98.21684	1.1
99.04472	1.2
105.07033	11.1
107.08586	9.6
109.06503	1.6
109.10159	6.9
117.07036	6.9
119.08591	11.4
121.10133	5.8
123.11687	1.6
125.09557	1.2
127.03923	3.3
128.06158	1.3
129.07004	9.8
131.08601	10.0
133.10156	6.9
135.11716	4.6
141.06979	3.4
143.08572	9.1
145.10143	11.3
147.11713	5.0
149.13295	1.9
154.07683	1.3
155.08563	8.5
156.09343	1.2
157.10143	11.6
159.11711	9.0
161.13251	2.8
167.08554	3.5
168.09340	2.1
169.10130	11.0
171.11679	9.1
173.13284	4.7
175.14803	2.2
179.08574	2.7
181.10117	7.1
183.11693	10.1
185.13309	5.8
187.14859	3.1
189.16377	1.7
193.10204	2.6
195.11691	7.1
197.13281	7.4
199.14864	4.3
201.16342	1.3
207.11777	1.7
209.13239	5.6
211.14859	4.0
213.16620	2.2
221.13197	2.5
223.14821	2.7
225.16405	2.5
227.18005	2.5
235.14838	2.8
237.16383	1.9
239.17915	1.7
249.16270	1.3
251.17856	2.5
253.19637	1.5
257.18948	1.1
265.19638	1.6
279.21014	2.1
321.22034	1.5
337.25061	1.6
349.24997	1.5
351.26987	1.7
358.84277	1.2
403.29810	1.1
428.34131	1.1
499.39630	1.1
517.40698	6.4
525.35382	1.0
527.37640	1.3
535.41364	2.9
539.37421	1.2
541.38928	2.1
549.31982	1.1
591.43927	7.4
606.95203	1.2
607.43219	1.4
609.45160	100.0
610.45465	7.3
611.47400	1.6
633.45062	1.6
753.49207	1.2
771.50293	21.1
772.50238	2.5
801.97339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
55.05516	13.8
57.03430	3.7
57.07076	1.2
61.02644	1.5
61.02934	16.0
63.58129	0.9
64.86518	1.1
65.03949	1.4
67.05506	21.2
69.03439	10.7
69.07075	10.7
69.22490	3.5
69.22901	6.0
71.01389	1.5
71.05004	1.5
73.02934	8.3
79.05506	17.2
81.03428	5.4
81.07061	25.4
82.07404	1.3
83.05011	1.6
83.08624	6.3
85.02914	12.0
85.04323	1.1
85.06553	1.8
91.03969	7.7
91.05486	15.0
92.05802	1.2
93.07048	18.5
95.04982	3.2
95.08614	20.4
97.02901	11.2
97.06536	2.3
97.10159	2.6
99.04489	2.1
101.02382	2.0
105.07043	15.4
107.04944	2.2
107.08586	10.2
109.06560	2.0
109.10169	7.9
111.08073	1.7
115.03953	1.0
115.05484	1.7
117.07024	10.3
119.08602	14.5
121.10141	7.8
123.08064	1.9
123.11715	1.5
123.31152	0.9
125.09653	1.5
127.03928	2.7
128.06236	3.5
129.07018	10.0
131.08566	14.0
133.10136	9.3
135.08075	1.3
135.11700	5.1
137.64642	1.0
141.07008	5.4
142.07785	3.3
143.08560	13.0
145.10127	11.9
146.10532	1.4
147.11676	5.2
149.09619	1.1
149.13287	2.2
154.07770	1.3
155.08571	8.7
156.09381	1.3
157.10129	10.6
159.11708	7.1
159.71725	1.1
161.13289	3.6
165.07060	1.7
166.07716	1.5
167.08562	5.2
168.09473	1.6
169.10162	12.1
171.11693	8.1
173.13263	6.4
175.14897	2.1
176.82587	0.9
179.08600	2.4
181.10143	8.4
183.11722	11.3
185.13228	9.1
187.14833	2.6
193.10165	3.7
195.11749	7.2
196.12314	1.2
197.13264	10.7
199.14835	6.5
201.16351	1.8
205.10170	1.2
207.11736	3.4
209.13304	8.8
210.13931	1.6
211.14767	5.8
213.16466	2.9
219.11681	2.3
221.13286	3.1
223.14874	5.1
225.16374	2.9
235.14830	3.3
237.16425	3.0
239.18077	2.3
249.16389	2.1
263.17825	1.9
265.19449	1.2
293.22620	1.3
323.23706	1.9
337.25299	1.8
349.25137	1.6
351.26733	1.2
363.26862	1.3
377.28394	1.4
409.30939	1.6
475.34500	1.1
499.39725	1.1
517.40131	7.7
535.41107	3.3
539.37469	1.8
541.38690	1.1
553.40100	1.2
591.44049	7.3
607.43005	2.8
608.43781	1.9
609.45148	100.0
610.45270	5.6
625.42682	1.4
651.46381	1.7
717.46979	1.6
753.49304	1.7
771.50214	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09419	1.3
55.01875	6.8
55.05516	19.0
55.29236	1.3
57.03438	8.4
58.41262	1.4
61.02923	1.7
65.03939	3.5
66.76436	1.3
67.05510	59.0
69.03431	5.7
69.07074	19.7
69.23748	13.1
69.24055	1.1
71.05007	2.9
73.98632	1.3
79.05499	75.5
81.03421	9.3
81.07065	61.8
83.04983	12.6
83.08615	10.5
85.02877	2.6
85.06556	3.5
88.97095	1.3
91.04908	2.2
91.05486	57.3
93.07050	68.4
95.04985	17.2
95.08614	31.7
95.09181	2.6
97.02906	2.8
97.06534	11.5
97.10197	4.2
98.21584	2.1
99.08092	1.9
103.05506	1.7
105.07040	41.5
105.71759	1.3
107.04977	10.5
107.08608	25.3
109.06534	5.2
109.10154	6.3
111.08105	3.6
115.05450	3.5
116.06232	1.4
117.07027	16.2
119.08591	25.2
121.06506	3.0
121.10139	11.2
122.99046	1.5
123.08071	6.2
123.11716	2.1
125.09634	2.3
127.03875	2.5
128.06169	1.8
129.07010	14.4
130.07848	1.6
131.08578	8.5
133.06561	1.7
133.10159	19.4
135.08099	1.8
135.11694	8.3
136.20831	1.5
137.43118	1.3
138.98886	1.3
139.07494	1.5
141.06943	1.5
143.08592	8.2
145.10135	18.6
147.08018	2.3
147.11690	27.1
149.09624	6.6
149.13258	6.9
156.09344	1.5
157.10201	1.6
159.11685	9.0
161.09651	1.8
161.13258	8.3
163.11215	6.2
169.10103	2.5
171.11711	19.8
173.13284	3.2
177.12779	1.8
181.12408	1.6
189.12747	6.5
195.13708	2.7
207.13779	18.5
225.14948	1.6
229.19771	2.1
239.17642	1.6
255.15977	5.1
257.19003	2.9
269.17480	18.7
273.18695	1.4
275.20056	15.8
279.15930	1.5
281.17484	51.7
349.23837	10.2
367.24570	2.4
459.31329	1.5
461.28986	19.2
475.30585	100.0
476.31003	5.0
527.37793	1.7
537.35565	2.1
555.36798	21.1
573.37817	4.7
614.52734	1.5
619.34424	2.2
702.15796	1.6
716.14441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.2
55.05515	33.8
57.03445	11.3
57.07071	2.5
65.03940	6.4
67.05509	75.7
69.03443	6.2
69.07079	29.1
71.04999	7.1
73.02920	2.3
73.05206	2.0
77.03902	3.5
79.05499	100.0
81.03420	14.0
81.07063	74.9
83.04987	20.2
83.08634	14.1
85.02914	4.1
85.06551	5.4
91.05486	86.6
91.64418	1.9
93.07053	92.5
95.04986	24.4
95.08617	41.7
97.02882	3.7
97.06545	21.0
97.10181	16.0
98.20704	5.0
99.08080	2.4
103.05460	2.3
105.04539	3.0
105.07037	64.1
107.04947	12.7
107.08607	39.7
109.06509	7.7
109.10170	15.7
111.08105	3.5
115.05460	3.5
117.07029	20.3
119.07798	3.7
119.08595	43.9
121.06533	7.3
121.10154	16.0
123.08070	9.3
125.09659	9.0
125.12726	1.9
128.06293	3.2
129.07025	15.4
130.07814	2.5
131.08583	15.0
132.68959	2.2
133.06520	2.2
133.10138	29.0
135.11699	14.9
137.09593	2.1
141.07039	3.1
143.08594	11.1
145.10135	24.8
145.54097	2.3
147.11705	38.5
149.09662	18.0
149.13278	5.2
151.11206	4.5
155.08569	3.1
157.10135	4.2
159.11670	13.9
161.09622	5.9
161.13234	12.4
163.11186	11.1
169.10149	4.3
171.10258	4.7
171.11658	30.1
173.04466	2.7
173.13266	4.7
177.12848	4.3
179.14378	3.5
187.11234	3.6
189.11237	5.8
189.12810	9.0
195.13908	2.3
196.88943	2.2
207.13803	25.4
227.12801	23.1
229.19563	2.1
253.14313	5.9
255.15829	4.4
257.19037	10.6
269.17459	9.9
273.18451	3.0
275.20099	39.4
279.15894	3.4
281.17490	75.3
283.15262	3.7
293.21082	3.1
349.23669	24.7
372.20422	2.7
377.23221	2.2
435.27567	6.2
451.26907	7.9
459.31253	2.9
461.28979	17.4
475.30606	65.3
537.35419	4.1
555.36884	66.9
556.36835	3.1
573.37079	4.7
701.24365	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	770.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.7
55.05264	2.8
55.05511	27.9
57.03440	11.5
57.07061	1.9
65.03941	5.0
67.05505	78.0
69.03416	4.1
69.07064	25.6
70.99466	2.2
71.04989	5.2
73.06572	1.9
77.03923	2.3
79.05494	100.0
80.05846	2.1
81.03419	11.9
81.07058	75.9
83.04977	19.6
83.08612	12.0
85.02882	3.9
85.06546	2.9
91.05482	93.3
92.05827	2.3
93.07044	94.3
95.04980	23.9
95.08605	37.0
97.02892	4.8
97.06554	10.1
97.10161	5.0
98.21594	3.9
103.05463	2.6
105.04550	3.2
105.07035	81.8
106.07321	2.2
107.04961	8.7
107.08594	34.5
109.06516	6.4
109.10138	14.1
111.04453	1.8
111.08092	5.0
113.09669	1.7
115.05466	2.3
117.07011	25.1
119.08585	50.2
121.06492	2.6
121.10155	21.3
123.08073	7.3
127.03928	3.7
128.06221	4.5
129.05508	2.6
129.06999	19.8
131.08559	18.6
133.10143	30.9
135.08028	2.8
135.11719	13.0
137.09663	2.5
143.08546	17.9
145.10141	25.0
147.08005	3.2
147.11696	52.8
149.09622	7.7
149.13246	12.5
151.11197	3.1
153.79114	1.8
155.08566	3.1
156.09363	2.6
157.10138	3.8
157.13834	1.8
159.11711	15.0
161.09642	8.0
161.13242	22.4
163.11237	5.8
169.10123	3.1
171.11691	33.8
173.13268	6.4
175.14803	4.7
177.12753	4.6
179.14348	3.4
183.11687	3.2
185.13286	2.8
187.11212	2.2
189.12730	11.3
195.13841	4.0
199.14821	3.2
207.13803	25.6
213.16417	1.9
239.17839	2.2
239.38194	1.9
241.19470	14.6
257.18991	6.8
259.20584	23.5
269.17505	10.1
274.58084	1.9
275.20132	11.0
279.15912	8.0
281.17477	50.0
282.17914	3.2
315.23114	2.6
333.24173	18.1
349.23837	6.5
372.49658	1.9
447.32355	3.3
475.30542	40.5
539.37347	25.8
555.36530	7.4
557.38153	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	770.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.1
55.05519	46.4
57.03443	9.9
58.99603	1.7
61.02955	2.4
65.03938	4.0
67.05511	70.2
68.25156	1.5
69.03432	8.0
69.06728	2.4
69.07076	34.0
70.03422	7.7
71.04993	5.2
76.53555	1.5
77.03921	2.5
79.05501	100.0
81.03417	10.5
81.07065	65.0
83.04986	15.4
83.08624	21.3
85.02904	2.4
85.81150	1.8
87.04444	1.5
91.04910	2.1
91.05488	62.5
93.07052	80.2
94.07405	1.5
95.04984	15.7
95.08617	46.7
97.02891	11.4
97.06529	11.6
97.10170	27.9
99.04487	2.0
103.05473	2.1
105.04523	3.7
105.06319	2.0
105.07040	55.1
107.04971	20.3
107.08602	69.2
109.02859	3.8
109.06545	10.3
109.10180	16.6
111.08101	5.7
115.05437	3.1
117.07021	21.7
119.07803	3.2
119.08595	38.7
121.06519	9.7
121.10156	17.3
123.04491	1.8
123.08077	5.5
123.11743	2.1
125.06030	2.9
125.09638	25.0
128.06245	1.9
129.07011	13.4
129.21667	2.0
130.07811	3.4
131.08585	11.7
133.06514	3.0
133.10152	21.9
135.08066	6.7
135.11700	34.5
137.09708	1.7
141.07039	2.7
143.08589	10.6
145.06561	1.9
145.10132	32.4
147.08093	5.5
147.11700	32.5
149.09607	11.7
151.11174	2.3
153.12801	1.6
157.10132	2.9
159.11681	6.8
161.09628	4.4
161.13246	11.7
163.11206	37.6
165.09193	1.8
169.10152	3.0
171.10257	3.4
171.11713	17.7
173.13249	3.1
177.12723	2.3
181.12259	4.7
187.11285	2.0
189.11255	11.9
189.12766	4.5
205.12297	4.1
207.13849	18.6
209.11627	2.2
223.13354	5.9
227.12796	89.9
249.14905	2.4
257.19043	8.2
267.15973	2.5
273.18582	9.4
275.20087	40.2
281.17508	50.9
283.15430	37.3
291.19556	54.3
331.22693	5.9
347.11282	1.8
347.22055	3.1
349.23804	24.3
361.56885	1.7
365.23300	33.9
365.27258	1.2
451.26898	22.8
461.28131	2.3
493.28162	1.8
529.00098	1.6
537.35870	6.4
555.36932	82.7
573.34216	64.6
574.34174	3.7
595.30493	2.4
716.71143	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	769.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.6
55.05275	3.6
55.05518	44.0
57.03438	16.1
57.03666	2.4
57.07067	3.2
59.04987	3.4
60.33890	2.2
61.02916	11.9
65.03944	7.0
67.05510	94.2
69.03439	44.4
69.07077	31.2
69.92214	10.7
71.05007	17.6
73.02918	6.3
77.03928	2.6
79.05503	83.8
81.03423	78.2
81.06594	5.5
81.07065	100.0
83.04990	17.3
83.08633	17.6
85.02904	23.0
85.06532	8.0
87.04459	2.9
91.03936	6.6
91.05492	88.8
93.06482	5.2
93.07051	83.7
94.71152	2.3
95.04984	22.2
95.08614	62.8
97.02905	31.7
97.06529	10.4
97.10188	9.0
98.20801	2.4
99.04491	14.2
101.02392	3.2
103.01337	2.6
103.05453	4.7
103.26649	2.5
105.04526	4.8
105.07043	82.3
107.04929	10.7
107.08609	48.9
109.02883	15.4
109.06525	10.8
109.10159	24.3
111.04445	7.6
111.08089	3.6
115.05457	7.5
117.07026	41.3
119.07813	4.2
119.08595	60.7
121.06492	8.5
121.10164	35.6
123.08031	5.5
123.11698	7.4
125.09657	3.9
127.03928	14.2
128.06221	8.8
128.13829	2.7
129.05507	4.7
129.07021	31.8
130.07747	4.3
131.08598	51.7
133.06470	5.9
133.10149	42.9
135.08067	8.2
135.11674	16.1
137.09686	3.4
141.07001	14.7
142.07758	7.8
143.08549	34.6
144.09256	3.4
145.06473	7.2
145.10143	40.0
147.08034	8.0
147.11711	25.6
149.09616	7.2
149.13309	12.3
151.11240	3.8
153.07045	4.9
154.07806	4.3
155.08565	26.2
156.09303	3.3
157.06552	3.6
157.10121	31.9
159.08058	5.8
159.11684	36.4
161.09573	5.8
161.13239	10.5
162.29935	2.9
163.11224	5.3
163.14732	4.2
165.07004	5.9
165.12854	3.4
167.08586	15.7
168.09314	3.2
169.10164	26.2
171.08064	4.2
171.11652	20.6
173.04480	33.3
173.09688	4.8
173.13275	18.2
175.11194	7.3
175.14813	7.1
177.12785	5.3
177.88763	2.5
179.08612	6.1
181.10114	18.4
183.11746	21.1
185.09619	5.2
185.13263	23.6
187.11226	6.1
187.14848	7.6
191.08298	2.6
192.09364	4.9
193.10106	7.7
195.11740	18.7
195.13342	4.1
197.09625	3.7
197.13228	22.0
199.11151	5.1
199.14886	10.1
200.51129	2.4
201.12730	3.6
201.16415	5.2
205.10072	6.4
206.10881	3.4
207.11644	8.2
209.09525	2.9
209.13336	14.5
211.11331	4.9
211.14844	10.6
213.16476	4.2
217.15793	3.6
219.11743	3.9
221.13274	9.2
223.14857	10.6
225.16414	5.8
229.19547	3.7
233.13255	3.0
235.14893	5.7
237.16577	3.5
239.14128	3.0
239.17957	4.9
241.19644	5.4
245.15338	3.3
247.14969	3.8
249.16565	3.0
251.18053	3.2
257.19031	5.7
259.20520	10.1
263.20370	3.1
273.18481	4.3
275.20151	18.6
301.21439	3.4
311.19836	3.6
315.23392	3.7
325.21686	4.1
333.24423	3.1
335.23788	3.5
339.23108	4.7
349.23914	4.2
363.27115	3.3
367.22778	10.5
369.24109	3.7
385.23856	5.1
441.26413	4.1
443.27869	2.9
459.27216	5.9
513.35742	2.8
515.38751	6.0
589.41388	3.1
607.34137	4.7
607.43604	75.9
608.43359	7.8
609.45410	3.0
614.69672	2.9
625.44366	3.7
635.39276	5.5
653.40247	8.7
671.41412	9.6
705.47992	4.6
715.44983	6.4
733.46667	6.8
751.47034	9.0
769.48938	50.9
770.49176	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	769.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.5
55.05515	22.8
57.03436	8.1
57.07076	1.8
59.98909	1.6
61.02650	1.8
61.02931	18.0
65.03932	2.8
67.05508	46.0
69.03442	20.1
69.07067	14.3
69.79195	4.2
69.79607	4.1
71.04995	5.1
73.02923	8.7
79.05502	30.0
81.03432	17.2
81.07063	34.5
83.04977	9.1
83.08620	8.9
84.80846	1.4
85.02901	16.7
85.06528	1.8
91.03960	7.2
91.05485	38.1
93.07053	33.1
95.04945	6.6
95.08610	27.5
97.02897	17.1
97.06537	5.2
97.10168	4.5
99.04464	2.5
99.08095	2.3
101.02404	3.3
103.05464	2.4
105.04533	2.0
105.06396	2.3
105.07040	26.2
107.04944	3.8
107.08605	19.6
109.02868	4.2
109.06544	4.8
109.10168	12.8
115.05464	3.9
117.07023	12.1
119.08583	20.5
121.06516	2.9
121.10175	12.2
123.08083	3.6
123.11708	3.2
125.09626	3.8
127.03917	3.5
127.83293	1.3
128.06242	4.5
129.07011	13.2
130.07863	1.6
131.08563	19.6
133.10138	17.1
135.08067	2.5
135.11694	5.3
135.47258	1.3
141.07001	7.7
142.07779	4.1
143.08569	16.6
145.10132	17.7
147.11665	9.7
149.09634	2.8
149.13277	4.0
153.07040	3.0
154.07802	2.6
155.08582	15.5
156.09285	1.9
157.10143	14.6
159.08026	2.5
159.11679	13.2
161.09608	2.3
161.13263	3.8
163.11220	2.8
165.07036	4.8
166.07744	1.9
167.08597	11.9
168.09320	2.6
169.10150	14.7
171.11696	12.4
173.04460	3.9
173.13275	6.4
178.07858	2.0
179.08595	4.1
180.09315	1.7
181.10127	13.5
182.10852	1.8
183.11703	17.7
185.09673	1.9
185.13249	10.1
187.11148	1.9
187.14816	2.4
189.12816	2.5
191.08566	2.5
193.10100	6.6
194.10974	1.4
195.11720	14.6
196.12326	1.5
197.13290	11.9
199.13232	1.6
199.14925	4.5
201.16539	2.0
205.10127	2.8
206.10995	1.4
207.11768	8.9
207.13615	2.3
208.12306	2.2
209.09676	1.6
209.13274	10.4
211.14847	5.4
213.16492	3.3
219.11690	3.7
221.13240	7.5
223.14851	7.1
225.16374	2.5
233.13319	2.3
235.14810	5.0
237.16420	5.0
239.17958	3.9
249.16422	4.4
251.18031	3.5
257.19086	3.2
259.20654	2.0
261.16550	1.9
263.17883	2.6
265.19568	2.6
275.20206	8.2
277.19479	1.8
281.17557	5.7
307.20538	2.5
313.21515	1.7
321.22116	2.1
335.23666	1.5
337.21548	1.5
339.23145	1.6
349.24780	2.1
351.23505	1.4
365.07159	1.7
375.26727	1.5
391.30182	2.1
445.30972	2.6
463.31732	1.7
475.31039	2.4
497.38107	1.9
515.38788	6.6
533.39880	3.1
537.36133	2.6
538.36237	2.8
555.36621	5.9
582.44440	1.7
589.42346	6.0
605.41425	1.6
607.43573	100.0
608.43750	6.2
733.46417	3.5
751.48407	3.2
753.90460	1.6
769.48914	35.7
770.48822	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	769.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	12.2
55.05516	32.7
55.64468	2.0
57.03441	11.3
57.07071	4.2
61.02935	18.7
65.03940	5.1
67.05508	67.0
68.71597	1.9
69.03434	29.6
69.07074	29.1
71.04993	7.2
71.16222	4.3
73.02909	12.5
79.05499	57.7
80.05776	2.1
81.03427	31.3
81.06590	3.1
81.07060	62.5
81.07532	3.4
83.04993	13.1
83.08620	18.3
85.02912	21.8
85.06581	2.9
87.04472	2.0
91.03963	9.3
91.05488	51.2
93.07053	49.1
95.04960	13.1
95.08615	38.0
97.02893	19.9
97.06533	8.0
97.10175	9.5
98.82244	2.6
99.04462	6.1
101.02391	4.3
105.04508	2.8
105.07036	45.3
107.04927	4.8
107.08595	33.1
107.77535	1.9
109.02888	8.7
109.06530	5.9
109.10168	18.8
111.04417	2.9
111.08079	3.3
115.05463	7.1
117.07037	26.5
119.08585	32.1
121.06502	5.7
121.10142	18.0
123.08070	4.5
123.11693	3.6
123.40393	1.9
125.09618	6.3
127.03912	7.6
128.06227	8.5
129.05515	4.6
129.07010	19.9
131.08574	28.4
133.06479	3.0
133.10138	25.4
135.08041	7.9
135.11716	9.1
137.09613	2.7
139.11183	2.3
141.06984	14.2
142.07791	5.3
143.08577	24.1
145.06516	2.2
145.10130	28.4
147.08012	4.2
147.11711	13.2
149.09628	5.3
149.13274	6.1
153.07013	6.1
154.07819	4.2
155.08548	25.2
157.10136	22.0
159.08040	4.0
159.11696	18.6
161.13275	9.8
161.67706	2.5
163.11241	5.4
163.14903	2.7
165.06985	6.1
165.12697	2.8
167.08566	15.8
168.09373	4.8
169.10120	23.2
171.08093	2.8
171.11708	18.9
173.04523	9.8
173.09639	3.3
173.13222	11.5
175.14851	2.6
179.08562	6.5
179.93042	2.0
181.10114	19.7
182.10992	2.0
183.08076	3.6
183.11731	23.1
185.13228	11.5
187.14812	7.0
191.08578	2.6
192.09341	3.0
193.10165	13.6
194.10956	2.2
195.11731	21.7
197.13254	17.0
199.05785	2.0
199.14854	8.2
201.16391	2.3
205.10100	3.6
207.11722	9.7
209.13271	14.3
211.14832	8.8
213.12820	3.0
219.11673	5.1
221.13254	10.4
223.14748	10.4
225.12744	2.7
225.16434	6.4
227.18005	2.4
229.14388	2.4
233.13234	4.7
235.14828	5.7
237.16408	8.3
239.14551	2.2
239.17859	4.0
247.14915	3.3
249.16501	5.6
251.17929	5.2
253.19777	3.2
255.17461	2.5
257.19003	5.2
259.20511	3.2
261.16376	3.2
273.18411	2.5
275.20139	14.0
307.20462	2.3
309.21951	2.7
325.21783	2.4
333.24478	3.7
335.23462	2.6
349.24689	3.6
359.23514	2.5
363.26480	2.4
367.22751	6.3
447.33044	2.8
513.35632	4.6
515.38641	6.8
533.39636	5.2
538.36542	3.1
539.37012	3.5
575.87262	2.9
588.00403	2.6
589.42493	4.2
597.44696	2.7
607.43579	100.0
608.43500	8.1
625.44238	6.6
649.43298	3.4
715.45441	2.8
733.46765	6.3
751.48016	9.7
769.48706	48.1
770.49017	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	769.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.4
55.05265	3.8
55.05516	39.7
57.03437	13.4
61.02937	14.5
65.03939	8.8
67.05510	74.8
69.03096	2.6
69.03439	34.8
69.07075	28.4
71.01357	5.0
71.04983	10.0
71.47617	3.0
73.02921	11.5
79.05498	64.4
81.02994	4.4
81.03427	46.9
81.07064	73.9
83.04999	15.8
83.08627	14.7
85.02901	23.9
91.03945	6.3
91.05490	71.1
93.07049	66.4
95.04983	11.6
95.08615	53.3
97.02892	29.9
97.06527	10.3
97.10168	7.6
98.21568	4.6
99.04446	7.9
101.02362	2.9
103.05513	4.5
105.04522	3.0
105.07037	61.9
107.04945	7.5
107.08599	34.1
109.02898	9.0
109.06504	7.5
109.10184	23.8
111.08080	5.3
115.05442	6.5
117.07031	30.3
117.19910	2.7
119.08584	51.4
121.06518	4.6
121.10143	25.0
123.08084	6.0
123.11687	5.9
125.09631	3.2
127.03913	11.5
128.06195	9.4
129.05484	8.1
129.07024	28.3
131.08568	39.0
133.06485	5.5
133.10162	26.7
135.08066	7.3
135.11682	11.3
140.55566	2.5
141.07022	15.7
142.07764	4.1
143.08568	29.2
145.04890	3.1
145.06499	6.9
145.10135	35.1
147.11708	19.2
149.02267	3.3
149.09624	4.7
149.13295	9.4
153.07028	8.0
154.07745	3.3
155.08559	22.1
157.10136	24.5
159.08055	5.1
159.11726	23.5
161.09692	4.7
161.13263	7.9
163.11205	4.0
165.07013	5.3
165.09138	3.8
167.08586	16.7
169.10162	25.9
171.08055	3.8
171.11685	24.3
173.04486	17.6
173.13245	13.6
177.12698	4.1
178.07794	3.9
179.08559	9.9
180.09370	3.2
181.10152	17.5
182.10970	3.7
183.11713	25.1
185.09650	5.7
185.13290	9.7
187.11189	4.5
187.14903	7.6
189.12743	3.3
193.05074	4.2
193.10167	11.4
195.07985	4.5
195.11732	17.6
195.13383	3.1
197.13301	16.8
199.11224	4.3
199.14836	5.7
201.16318	5.1
205.10249	3.8
207.11740	13.5
208.24297	2.9
209.13353	13.3
211.11211	3.8
211.14821	8.6
213.12923	3.9
213.16425	5.5
221.13275	8.4
223.11137	3.6
223.14859	10.0
225.16408	4.2
229.19624	3.5
235.14926	6.0
237.16313	7.4
239.17975	4.1
241.19476	4.5
249.16469	4.8
257.19086	5.2
259.20538	6.3
263.17850	2.9
265.19809	3.5
275.20184	16.7
283.20609	4.0
284.61118	2.8
297.22208	2.9
311.20016	3.0
349.21622	3.2
351.23230	3.9
363.26645	3.1
367.22604	5.6
369.24194	3.3
385.23743	3.3
513.35608	9.2
515.38373	10.5
533.40094	5.2
551.40479	4.0
589.42529	6.5
605.41748	3.7
607.34180	5.0
607.43658	100.0
608.43750	5.7
625.44812	4.3
653.41187	3.6
687.45300	3.1
715.45520	7.1
733.46442	7.9
751.46942	8.7
769.48810	56.3
770.48456	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	768.509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.2
55.05515	37.4
57.03436	21.4
57.07081	45.8
59.05005	28.4
59.89104	1.5
61.02924	3.4
65.03941	1.9
67.05510	60.9
68.05845	2.0
69.03426	6.5
69.06778	1.9
69.07078	19.0
71.04997	13.5
71.08639	31.7
71.50593	2.2
73.02927	2.9
76.90069	1.4
77.15141	1.5
79.05499	24.3
80.05830	1.9
81.03413	9.3
81.07059	37.7
82.07354	2.4
83.04978	4.2
83.08622	21.2
85.02910	9.7
85.06536	3.4
85.10187	16.9
87.04476	35.6
91.05494	13.1
91.26270	1.6
93.07052	12.8
95.04964	6.2
95.08614	33.0
96.08963	2.7
97.02902	5.2
97.06530	6.3
97.10184	27.7
99.04467	24.6
103.48003	1.7
105.07040	7.6
107.04980	4.1
107.08614	13.0
108.08891	1.8
109.06515	3.3
109.10168	48.9
111.04462	2.5
111.08112	2.9
115.03944	1.8
117.07042	1.9
119.08611	7.6
121.06477	3.5
121.10176	3.2
123.08043	2.1
123.11732	5.3
125.00081	1.7
125.09638	21.5
127.03929	2.7
131.08549	5.5
133.10138	2.7
135.08038	2.2
135.11690	3.4
137.09636	2.8
137.13336	1.7
143.08649	1.7
143.10661	2.3
145.04948	2.1
145.10091	3.8
147.11696	2.6
149.09624	5.2
153.12790	1.9
155.10687	4.5
159.11664	2.1
163.11255	4.2
173.11772	12.6
173.90553	1.9
184.07449	8.3
191.10709	2.4
193.12183	1.8
199.13326	19.0
204.09419	1.6
223.13364	1.6
227.12779	7.5
229.14369	39.7
239.23692	5.8
241.14427	7.3
257.13821	1.5
257.18991	1.7
267.15948	4.1
275.20090	5.9
276.20432	3.3
283.15381	3.3
306.27863	2.2
313.27390	100.0
314.27768	11.4
315.18164	12.7
320.25937	4.7
333.19153	2.3
341.26910	6.0
349.23901	3.4
350.24075	2.2
437.36191	6.7
455.37311	35.8
467.37411	44.2
468.37549	2.9
508.41043	3.2
553.40863	4.3
571.41614	3.8
588.47040	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	768.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
55.05516	27.2
57.03440	20.4
57.07082	37.3
59.05008	41.1
61.02926	2.9
65.03939	2.8
67.05511	82.5
69.03445	5.0
69.07068	13.6
71.05009	10.0
71.08633	27.7
71.51535	2.9
76.00639	1.4
79.05502	13.5
81.03416	6.4
81.07066	31.4
83.04980	3.6
83.08636	18.3
85.02914	5.9
85.06543	3.8
85.10190	14.1
86.09699	1.8
87.04475	70.1
89.06013	2.2
91.05491	8.3
93.07033	7.9
95.04974	3.3
95.08617	23.2
97.02901	3.7
97.06512	3.1
97.10179	17.8
99.04472	11.0
105.07025	4.0
107.04987	1.8
107.08576	8.1
109.10162	63.9
111.04439	2.2
111.08088	2.7
117.07031	2.0
119.08606	7.0
121.10145	1.9
123.11732	3.1
125.09640	9.3
127.03899	2.3
131.08545	1.5
135.11757	2.2
137.09610	4.4
145.10147	2.5
155.10692	6.6
164.36969	1.5
173.11760	20.7
184.07341	8.5
199.13292	8.3
227.12869	3.1
229.14368	64.7
239.23772	5.6
241.14445	1.9
257.13797	2.3
267.15854	2.6
282.33762	1.7
283.15338	1.8
301.68491	1.8
313.27393	89.1
314.27847	4.9
315.18021	5.8
341.26834	5.4
349.23773	1.9
437.36307	4.1
455.37399	15.8
467.37396	100.0
468.37747	3.6
508.40942	2.7
553.40686	2.3
560.71613	1.8
642.84595	1.8
643.84473	2.3
719.40918	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.5
55.05510	34.6
55.69519	2.0
57.03439	14.8
57.07072	3.6
61.02927	15.9
63.28128	1.9
65.03943	5.0
67.05505	69.9
69.03431	27.7
69.07068	25.7
70.90131	4.4
71.01355	2.8
71.04980	7.4
71.08630	2.1
73.02927	10.0
79.05491	51.3
81.03417	28.3
81.06586	4.2
81.07057	65.2
83.04972	12.4
83.08628	11.1
85.02908	17.4
85.06537	2.7
87.17488	1.9
91.03945	8.2
91.05482	50.4
93.07043	49.9
95.04977	12.2
95.08609	45.9
95.18644	2.3
97.02880	18.9
97.06528	7.0
97.10170	6.9
99.04459	4.0
99.08116	3.1
101.02361	5.2
103.05444	2.8
105.04487	3.2
105.07036	51.4
107.04947	6.7
107.08595	26.2
109.02869	7.7
109.06495	8.5
109.10161	18.0
110.67575	2.4
111.04449	4.7
111.08077	3.9
115.05444	6.0
117.07021	24.9
119.08587	39.8
121.06476	5.1
121.10124	17.0
123.08055	3.6
123.11701	4.9
125.09602	5.3
127.03929	7.1
128.06226	6.5
129.05484	5.3
129.07018	19.5
131.08557	35.2
133.06483	3.9
133.10130	22.5
135.08072	7.0
135.11694	8.7
137.06020	3.8
137.09598	4.3
141.07005	9.3
142.07771	6.6
143.08572	26.6
145.06509	3.5
145.10146	29.9
147.08060	5.6
147.11719	12.2
149.09621	6.8
149.13272	6.4
149.72130	2.1
153.07019	3.3
154.07805	4.6
155.08559	21.7
157.10136	21.3
159.08075	4.3
159.11691	20.0
161.09642	3.9
161.13271	6.2
163.11189	2.6
163.14772	2.4
165.06964	6.0
166.07776	4.8
167.08527	13.6
168.09372	3.1
169.10136	21.2
170.10898	2.0
171.11639	18.0
173.04465	7.4
173.09677	3.5
173.13278	12.4
175.11203	2.8
175.14812	2.1
177.12537	2.1
178.07899	2.3
179.08571	8.6
180.09358	4.4
181.10121	16.7
182.10886	3.0
183.11693	20.3
184.12389	2.0
185.09622	2.9
185.13289	14.0
187.11227	3.4
187.14767	4.2
191.08437	3.1
191.14337	2.6
193.10132	5.1
194.10814	4.1
195.11647	16.8
197.13220	14.2
199.11209	3.9
199.14793	7.0
205.10190	4.4
207.11722	9.2
209.13228	14.2
211.14912	11.0
213.12729	3.1
213.16422	4.5
219.11751	4.3
221.13280	9.2
223.14847	11.5
225.16396	6.2
233.13353	3.3
234.01112	2.2
235.14838	8.0
237.16422	5.8
239.18121	5.1
245.19098	2.5
247.14751	3.7
249.16280	2.7
251.17921	4.4
257.19083	5.8
259.20444	2.3
260.40756	2.5
261.16309	2.9
263.17908	4.4
265.19446	2.1
275.20090	14.3
293.18610	3.0
301.21722	2.6
304.12933	2.2
305.43613	2.2
323.23676	2.6
339.23059	2.2
343.22672	2.6
346.70248	2.1
347.23047	2.3
349.21597	2.3
367.22845	2.6
378.07623	2.6
423.26538	2.8
441.26462	2.6
456.31805	2.6
513.35486	2.3
515.38617	9.4
527.36835	3.7
533.39801	5.3
537.35883	3.0
551.40674	3.4
589.41992	6.7
607.43567	100.0
608.44019	4.2
609.44678	3.3
625.44891	5.5
649.44281	3.5
715.45038	2.8
733.45685	8.3
751.47241	8.9
769.34900	3.7
769.48712	52.0
770.48309	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	768.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94132	1.5
55.01879	3.9
55.05517	27.1
57.03442	23.1
57.07078	40.6
59.05003	43.3
61.02909	2.2
65.03948	1.7
67.05508	78.1
69.03441	3.6
69.07069	15.5
71.04996	6.6
71.08639	28.0
71.51514	2.2
71.51906	1.6
73.02929	2.1
73.06567	1.7
79.05493	14.2
81.03410	7.7
81.07060	29.4
82.35152	1.6
83.04987	2.7
83.08629	19.9
85.02908	6.4
85.06548	3.2
85.10187	18.2
87.04475	68.1
89.06008	2.8
91.05476	9.8
93.07050	6.0
95.04991	3.2
95.08604	22.3
97.02891	3.7
97.06534	5.0
97.10182	17.6
99.04457	13.9
105.07040	3.9
107.04928	3.0
107.08611	6.5
109.06548	1.7
109.10159	61.2
111.04488	1.9
119.08611	3.9
121.10097	3.0
123.11695	2.3
125.09608	8.4
127.03934	1.7
130.16997	1.6
131.08556	2.0
133.10172	3.0
137.09622	2.7
145.10114	2.2
147.08093	1.8
149.09647	2.8
155.10652	6.1
173.11758	20.1
184.07333	5.2
199.13298	8.7
227.12701	3.4
229.14369	67.9
239.23698	7.9
244.77083	1.7
257.13950	2.1
267.15851	3.1
283.15475	2.2
301.20764	1.7
313.27365	94.1
314.27695	6.5
315.18015	7.3
341.26920	4.8
437.36157	3.8
455.37408	15.7
457.95999	1.8
458.85403	1.8
467.37381	100.0
468.37616	5.7
508.40533	2.5
553.41229	2.9
588.47150	4.2
606.46985	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	768.453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.5
55.05507	18.3
55.21060	3.4
57.03432	15.5
65.03939	8.2
67.05509	74.8
69.03425	5.8
69.07063	13.6
70.63634	9.6
71.04977	3.9
79.05494	58.8
81.03415	11.3
81.07058	40.8
83.04990	10.2
83.08607	9.0
85.02888	5.1
85.06546	13.7
91.05485	52.2
91.39581	4.0
93.07046	59.5
95.04965	78.9
95.08614	21.2
97.02894	5.4
97.06541	7.6
105.07040	43.7
107.04970	11.3
107.08581	22.8
109.06522	57.4
109.10138	11.0
111.08041	6.4
113.05997	34.8
115.05378	4.1
117.07030	16.8
119.08587	22.1
121.06554	5.8
121.10187	4.2
125.69878	3.8
128.06210	4.4
129.07024	15.8
131.08597	16.1
133.10115	9.3
135.08080	39.9
135.11719	6.5
141.07034	4.3
143.08575	11.4
145.10112	17.0
147.08044	5.9
147.11749	21.3
149.02344	45.6
149.13298	7.5
159.11708	9.2
161.09665	10.9
161.13196	7.6
163.11177	4.7
171.11696	14.5
177.12694	4.9
189.12688	8.4
193.04997	49.1
199.14833	5.1
207.13873	12.6
217.15895	6.8
273.18451	25.6
281.17477	54.2
291.19601	94.0
291.22830	4.7
338.25995	3.8
347.22083	12.4
365.23178	22.8
406.55136	4.4
553.35284	32.8
571.36371	100.0
572.36169	6.3
769.17535	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	768.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.9
55.05516	24.2
57.03435	6.2
57.07061	1.5
61.02914	1.4
65.03942	4.1
67.05508	47.8
69.03438	8.4
69.07075	26.6
69.90871	1.1
71.04986	2.7
79.05499	59.0
80.05836	1.5
80.38831	1.0
81.03422	12.9
81.07064	43.1
83.04986	11.2
83.08630	9.5
85.02909	2.5
85.06547	3.0
91.05484	46.2
93.07050	49.5
93.07638	2.6
94.07375	1.2
95.04975	16.9
95.08610	24.6
95.09180	2.1
97.02332	1.1
97.02882	6.2
97.06527	5.6
97.10170	9.8
103.05511	1.6
105.04499	2.0
105.07039	36.2
107.04964	8.8
107.08599	19.0
109.02885	1.1
109.06519	6.0
109.10166	9.2
111.08113	2.3
115.05468	1.9
117.07053	13.1
119.04961	1.9
119.08582	24.7
121.06545	6.2
121.10160	6.0
123.08088	5.1
123.11708	1.8
125.09615	6.4
127.03864	1.2
128.06200	3.2
129.06999	12.1
131.08591	10.6
133.06517	3.0
133.10158	10.7
134.50279	1.0
135.08043	4.1
135.11697	4.3
137.09624	2.3
141.07005	1.9
143.08545	9.7
145.06436	1.4
145.10130	10.7
147.08076	6.5
147.11694	22.4
148.12219	1.2
149.09663	3.2
149.13234	2.7
151.11153	2.2
155.08582	3.2
156.09209	1.5
157.10144	3.9
159.08096	1.5
159.11711	5.2
161.09627	3.9
161.13257	7.4
163.11235	2.7
165.09036	1.3
167.08554	1.6
169.10146	2.7
169.12328	1.3
171.11694	15.1
173.04480	1.5
173.13239	2.4
175.11209	2.6
175.14828	1.2
177.12724	2.1
181.12436	1.5
183.11717	1.7
185.13318	2.2
189.11273	2.4
189.12784	6.9
193.12392	1.3
197.13156	1.7
207.13799	16.4
223.13235	10.2
225.14876	1.7
227.12766	5.0
245.18982	1.7
249.14752	2.6
253.14302	2.6
267.16022	1.8
273.18488	13.9
275.20187	2.5
281.17480	52.0
282.17627	2.0
291.19547	74.2
292.20035	2.0
347.22177	4.5
349.24133	1.3
365.23270	26.7
366.23416	1.4
473.28885	3.7
543.36682	1.3
553.35028	4.3
571.36310	100.0
572.36652	5.3
607.43256	3.2
768.46448	3.7
769.47449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	26.7
55.05514	40.0
57.03450	18.4
57.07079	51.8
59.05012	3.0
60.16368	2.4
61.02920	9.4
62.20047	2.4
65.03954	3.2
67.05508	84.1
69.03436	16.0
69.07075	37.8
71.01372	3.1
71.04990	11.7
71.08633	32.5
71.29639	3.1
79.05495	77.1
81.03423	23.9
81.07056	87.2
82.46535	2.6
83.04980	11.5
83.08626	23.3
84.25630	2.7
85.02917	11.7
85.06551	3.8
85.10191	14.9
87.04467	3.4
91.03942	3.9
91.05482	63.7
93.07045	58.7
95.04961	17.8
95.08611	64.9
97.02904	17.9
97.06532	31.0
97.10181	20.7
99.04449	6.1
103.05418	3.4
105.07034	58.5
105.07695	5.8
107.04976	24.9
107.08603	44.9
109.02904	8.4
109.06524	11.0
109.10153	41.5
111.08084	6.7
115.05524	3.1
116.07132	2.7
117.07017	19.7
119.08581	41.8
121.06527	6.7
121.10161	16.4
123.04432	4.3
123.08065	9.3
123.11727	11.8
125.09650	10.5
127.03935	9.3
129.07011	10.4
130.07729	3.1
131.07655	3.5
131.08549	25.3
133.06468	7.4
133.10121	31.7
135.08067	11.2
135.11749	14.6
137.09631	8.0
141.06967	6.3
142.07849	3.2
143.08592	11.7
145.06511	3.6
145.10143	30.2
147.08043	5.6
147.11650	20.2
149.09628	23.6
149.13330	3.6
151.11139	7.3
155.08578	6.6
157.10124	12.0
159.08026	6.0
159.11717	18.4
161.09596	7.2
161.13243	5.7
163.11218	10.2
169.10146	5.3
171.10326	4.1
171.11734	8.9
173.09717	3.8
173.13260	8.8
177.12752	4.0
179.14316	3.4
181.10129	4.0
183.11702	4.9
184.07330	6.7
185.13312	4.0
189.11269	7.3
193.10078	3.1
195.11777	3.3
195.13829	3.1
197.13225	3.0
215.14389	3.4
227.12744	33.0
229.14430	7.6
239.17946	7.2
239.23856	7.8
247.20515	6.4
253.14496	3.4
257.18994	16.9
273.18405	3.7
275.20071	94.2
293.21100	12.1
299.20306	4.5
313.27350	100.0
314.27695	5.3
331.22644	6.4
349.23746	53.6
349.27637	4.7
409.33148	6.7
419.24164	6.1
467.37317	3.6
483.36917	5.2
491.40857	7.3
505.26462	2.8
507.40561	4.2
587.46722	71.7
605.48450	18.0
767.46088	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	767.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11986	2.7
54.30804	2.6
55.01881	19.2
55.05519	26.9
57.03435	12.8
57.07082	42.4
61.02925	6.8
67.05508	64.3
68.05865	3.9
69.03419	8.4
69.07076	34.1
71.08640	27.8
71.50674	5.7
79.05497	41.2
81.03423	19.5
81.07059	95.2
83.04990	7.4
83.08619	24.8
85.02897	11.8
85.06548	4.0
85.10169	11.3
91.05489	54.9
93.07047	43.3
93.56725	2.5
95.04966	14.7
95.08614	63.3
97.02890	8.2
97.06563	18.7
97.10163	8.2
99.08076	4.6
102.53674	3.2
103.05463	4.7
105.06395	5.6
105.07041	62.9
107.04948	12.7
107.08599	26.9
109.02872	3.7
109.06546	9.9
109.10156	27.5
117.07026	13.9
119.08582	51.5
121.06534	7.0
121.10164	17.5
123.04506	2.9
123.08079	10.7
123.11733	9.7
127.03954	5.8
129.06963	8.0
131.08572	20.4
133.10143	46.9
135.08006	6.2
135.11690	10.0
137.09645	5.4
137.13263	3.8
141.06976	4.6
145.10078	21.3
147.11694	14.7
149.09602	8.5
149.13298	5.4
151.11226	7.1
155.08636	3.5
157.10059	4.6
159.11656	14.4
161.13304	5.3
163.11201	6.9
169.10229	4.4
171.11610	4.5
173.13297	4.6
177.12733	6.2
179.14330	6.1
197.13377	5.0
217.15912	3.1
227.12807	5.4
229.19702	6.9
253.14394	24.6
254.59053	3.5
257.18988	13.2
263.07361	3.2
267.15784	4.0
272.04388	3.0
275.20087	82.9
293.21173	7.5
313.27374	100.0
314.27707	7.0
349.23700	50.2
507.40475	22.7
508.40692	3.3
509.38901	5.0
569.44495	3.8
587.46783	75.8
588.46826	4.1
605.47766	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	34.8
55.05515	43.9
57.03437	16.8
57.07080	51.4
61.02923	14.7
65.03938	8.9
67.05515	77.6
69.03443	15.7
69.07075	47.4
71.04999	6.0
71.08636	39.3
73.02917	8.1
79.05073	5.4
79.05502	75.0
81.03448	17.1
81.07063	75.6
81.86838	2.7
83.04970	10.9
83.08628	30.6
85.02909	16.8
85.06544	5.6
85.10176	18.6
91.03954	3.6
91.05482	58.9
92.05805	3.3
93.07053	62.9
95.01345	3.5
95.04977	15.1
95.08617	67.5
96.08943	4.1
97.02885	14.6
97.06532	45.2
97.10184	26.8
103.05502	4.2
105.06396	4.5
105.07039	51.7
107.04983	24.6
107.08603	41.8
109.02888	3.8
109.06508	9.2
109.10170	35.7
111.08073	6.8
116.15952	2.8
117.07012	20.4
119.08604	31.9
121.06533	9.4
121.10160	19.4
122.10538	3.0
123.04455	3.8
123.08084	7.4
123.11710	8.3
125.09641	18.9
127.03902	7.5
129.07008	8.1
131.08566	24.2
132.08885	2.9
133.06439	4.5
133.10127	31.8
135.08049	8.8
135.11684	12.2
137.09662	4.9
137.13271	4.3
142.07822	3.2
143.08569	6.2
145.06439	3.4
145.10130	22.6
147.11722	19.9
149.09631	37.3
149.13316	6.7
151.11162	5.0
157.10167	7.8
159.11710	12.9
161.09671	3.7
161.13335	8.6
163.11237	11.9
169.10231	3.1
171.10233	3.9
171.11632	5.8
173.13184	4.6
177.12700	5.5
179.14400	5.4
183.11690	3.3
185.13312	3.6
187.11191	3.6
189.11243	14.8
195.13705	3.1
197.13297	3.7
205.12218	4.8
227.12787	59.7
229.19496	4.0
235.16960	3.2
239.23740	7.3
241.10814	3.7
247.20619	4.9
251.20139	3.0
257.19006	15.3
257.24722	4.1
267.15808	4.1
275.20078	99.5
289.18665	2.9
293.21155	9.4
307.48798	3.2
313.27405	100.0
314.27670	5.4
335.26111	3.0
336.26028	3.6
341.21375	3.5
349.23749	72.0
409.33044	9.7
465.77393	3.0
483.36902	10.2
491.40729	10.9
507.40262	5.4
570.42609	13.8
587.37946	5.4
587.46643	64.2
588.47070	6.6
605.47437	21.1
629.47131	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	767.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01635	2.2
55.01882	30.5
55.05517	29.1
56.97093	1.9
57.03448	17.2
57.07083	44.9
57.54176	1.7
58.93793	1.9
59.05012	3.0
59.30961	1.9
61.02925	15.3
65.03944	5.6
67.05512	64.4
69.03437	13.4
69.07074	39.7
69.75982	9.5
70.00520	1.8
71.04991	5.5
71.08641	32.9
73.02924	5.3
79.05503	63.9
81.03424	11.7
81.07067	56.5
83.05000	9.5
83.08627	22.7
84.29004	1.7
85.02909	16.6
85.10197	17.7
91.03970	5.5
91.05492	48.2
93.07053	45.5
95.04993	12.0
95.08614	52.2
97.02903	14.0
97.06544	39.4
97.07155	3.6
97.10175	24.5
99.04465	3.0
103.05485	3.4
105.07040	46.7
107.04967	23.1
107.08602	51.7
109.02834	2.4
109.06528	7.8
109.10162	31.4
111.04385	1.8
111.08116	4.5
115.05425	2.4
117.07027	16.6
119.08594	34.2
121.06521	7.0
121.10160	13.6
123.08096	5.2
123.11720	8.2
125.09641	25.3
127.03925	4.1
129.06969	5.0
130.08691	2.0
131.08586	19.3
133.10132	23.1
135.08084	7.6
135.11673	9.7
137.09636	6.1
137.13261	2.9
139.07599	1.9
139.11188	2.1
141.07098	2.6
143.08577	4.8
145.10150	19.4
147.08038	3.2
147.11696	18.2
149.09625	32.6
149.13281	3.3
151.11214	2.6
152.06921	1.8
153.09108	3.5
155.08644	2.1
157.10147	4.7
159.11668	13.3
161.09665	3.4
161.13322	6.2
163.11194	13.3
167.78186	2.0
169.10172	4.8
171.10266	3.7
171.11720	6.3
173.09673	3.7
173.11745	2.3
173.13289	8.7
175.11229	2.3
177.12733	5.1
179.14420	2.9
183.11749	2.6
185.13338	2.8
187.11258	3.8
189.11264	12.6
189.12801	3.4
197.13246	1.9
201.12840	2.6
205.12233	2.5
227.12807	63.3
228.13193	2.6
229.19505	4.3
239.17917	4.9
243.15959	2.0
247.20760	4.1
257.19031	15.9
257.24860	2.7
267.16022	2.3
275.20099	84.0
292.55109	2.3
293.21124	7.4
305.20712	1.8
313.27393	100.0
315.14536	2.0
330.30368	1.9
349.23764	71.1
409.33115	7.5
483.36908	9.4
491.41071	10.1
503.40973	2.2
507.40494	7.2
587.46777	58.9
588.47046	3.5
605.47925	20.0
606.47797	3.0
629.47211	2.8
767.51276	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	767.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.9
55.05273	5.2
55.05515	71.1
55.59301	2.8
55.97405	3.4
57.03426	11.8
57.07064	6.2
61.02926	4.8
65.03928	9.5
67.05508	100.0
67.21938	2.7
69.03438	30.2
69.07076	39.7
71.01348	3.0
71.04971	9.3
71.08608	3.0
71.50665	2.9
73.02894	5.0
79.05496	96.0
81.02979	4.6
81.03418	49.0
81.06587	5.4
81.07062	92.7
83.04981	21.5
83.08617	25.3
85.02905	17.1
85.06541	5.2
91.05482	89.7
93.07044	73.1
95.04970	31.1
95.08604	54.7
97.02878	18.6
97.06523	11.7
97.10168	38.2
99.04458	3.5
99.08114	3.1
99.74973	3.2
101.02364	3.8
103.05447	9.3
105.07028	67.9
107.04947	23.5
107.08604	44.6
109.02872	9.8
109.06528	14.7
109.10166	25.9
111.04433	10.0
111.08086	7.8
115.05447	10.1
117.07014	42.6
119.08582	52.9
121.06503	11.4
121.10139	24.8
122.73360	3.0
123.04443	4.5
123.08070	12.4
125.09647	28.1
127.03931	5.1
128.06230	20.1
129.07031	40.6
130.07779	4.8
131.08563	49.8
133.06491	10.1
133.10129	36.4
135.08040	13.6
135.11703	10.4
137.09576	7.1
141.06979	18.4
142.07770	8.9
143.08580	36.8
145.06464	10.7
145.10115	41.7
147.08070	15.4
147.11667	21.9
149.09593	10.7
149.13231	7.4
151.07568	4.0
153.07002	12.0
154.07779	7.4
155.08543	32.4
156.09407	4.2
157.06477	10.1
157.10146	33.5
159.08043	10.9
159.11687	28.8
161.09615	10.8
161.13225	8.5
163.11145	5.3
165.06993	8.7
165.12823	3.9
166.07808	8.0
167.08545	25.1
168.09300	6.9
169.10126	31.0
170.07295	4.2
171.07985	12.1
171.10356	5.1
171.11664	21.1
173.04524	3.6
173.09607	10.9
173.13268	13.0
175.11223	8.3
175.14752	4.3
177.09218	3.3
177.12723	3.8
178.07799	7.2
179.08559	12.1
180.09282	5.9
181.10112	19.3
183.08035	7.3
183.11705	23.1
184.07339	3.9
185.09679	11.5
185.13264	14.0
187.07535	3.6
187.11156	9.8
187.14806	7.4
189.11200	17.7
189.12732	6.6
191.08572	3.6
191.14270	4.3
192.09319	5.5
193.10114	17.3
193.11957	4.1
194.10898	4.1
195.08000	4.8
195.11713	20.6
196.08842	4.0
197.09583	10.9
197.13304	17.2
199.11186	10.1
199.14809	7.1
201.12802	8.1
205.10094	8.0
205.12219	5.0
207.11670	11.5
209.09613	5.2
209.13319	15.4
211.11148	7.8
211.14848	10.0
213.12738	9.9
217.10190	5.3
218.11137	3.2
219.11740	7.0
219.13742	4.9
221.09610	3.3
221.13260	11.3
221.15152	3.3
223.11298	5.3
223.13248	7.8
225.12653	7.9
225.16406	3.7
227.12602	15.1
232.12502	3.7
233.13266	4.9
235.14874	6.7
237.12737	4.9
237.16446	5.0
239.14342	5.5
239.17796	3.8
241.19249	3.5
245.13779	4.1
246.14110	3.3
249.16507	4.7
251.14378	4.3
257.18900	4.9
259.14816	5.1
259.20590	5.8
263.20135	4.4
267.20758	3.2
273.18576	18.0
275.20163	10.5
279.21036	4.5
289.11172	3.2
291.19565	45.0
301.21744	5.6
307.20859	3.8
309.22513	3.1
313.21637	4.3
325.21518	20.7
339.23178	4.9
349.21802	12.1
351.23035	5.1
365.23245	13.4
367.22614	21.4
385.23642	8.5
399.25848	3.9
415.93045	3.4
417.26346	3.4
441.26480	6.3
459.32870	4.1
605.42017	31.4
623.42786	7.2
651.38818	4.2
669.40247	5.0
689.43500	3.2
703.46539	3.8
707.44635	5.2
713.43506	8.0
721.46899	4.2
731.45239	28.4
737.00873	3.5
749.46265	40.1
767.47260	72.7
768.47070	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	765.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.3
55.05515	37.1
55.12759	1.0
57.03437	10.8
57.07078	39.8
58.36521	1.1
58.97259	0.9
59.05000	1.1
59.90515	1.0
60.04513	0.9
61.02935	10.0
67.05510	42.6
69.03434	6.3
69.07066	20.6
71.04995	3.8
71.08638	27.0
73.02908	2.6
77.03933	1.5
79.05496	37.6
81.03407	6.3
81.07060	54.7
82.90769	1.1
83.04987	3.8
83.08620	17.7
85.02912	8.3
85.06543	2.2
85.10185	14.3
87.04446	1.0
89.06037	2.0
91.03970	3.2
91.05486	65.0
93.07044	32.8
95.04966	5.6
95.08615	43.0
97.02882	6.9
97.06524	5.5
97.10177	13.0
98.21462	2.4
99.08101	1.9
103.05470	4.1
103.07597	2.0
105.04554	2.0
105.07034	54.3
107.04949	5.8
107.08601	18.6
109.02934	2.4
109.06532	6.5
109.10156	13.5
111.08084	3.8
114.96801	1.2
115.05472	8.5
116.06273	5.4
117.07024	43.9
117.07861	2.3
119.04944	3.2
119.08586	30.8
121.06521	5.0
121.10148	9.4
123.08125	9.4
123.11739	3.0
125.09639	3.8
127.03937	2.6
128.06238	24.0
129.07014	27.0
130.07794	9.7
131.04950	1.2
131.08574	73.8
133.06491	8.3
133.10118	18.6
135.08046	4.5
135.11685	5.7
137.09630	3.1
137.13263	1.8
139.11206	2.1
141.06984	11.4
141.09114	1.2
142.07819	6.4
143.08565	75.3
144.09171	1.0
145.06514	4.0
145.10130	79.6
146.07327	1.6
147.08041	9.2
147.11684	7.9
149.09602	5.2
149.13248	2.2
151.07538	2.6
151.11139	1.2
154.07788	1.8
155.08577	9.3
156.09404	1.7
157.06529	1.2
157.08821	1.3
157.10139	25.9
159.08078	5.6
159.11694	19.0
161.09625	12.3
161.13268	3.0
163.07616	1.1
163.11176	7.8
165.07042	3.2
166.07841	3.2
166.59813	1.1
167.08578	5.1
169.10143	16.7
171.08093	2.6
171.11700	16.8
173.09618	3.8
173.13254	2.9
175.11166	8.4
177.12776	3.4
180.09285	2.5
181.10123	11.8
183.11710	8.3
185.09689	3.2
185.13251	7.9
187.11241	3.0
189.11195	1.7
189.12743	2.0
195.09964	1.4
195.11713	18.2
197.13332	1.6
199.11209	3.1
199.14752	1.7
201.12706	2.6
205.12407	1.3
209.13309	3.6
211.14873	2.3
213.12804	3.1
213.16328	1.2
215.14357	1.5
219.56107	1.3
227.12679	1.6
227.17920	8.1
231.13882	1.3
237.16373	21.9
239.23679	4.9
241.14372	2.4
245.19104	6.5
255.17461	27.4
257.24872	1.5
265.14560	1.3
273.18509	77.8
274.18781	2.3
291.19556	4.7
313.27380	100.0
314.27856	2.3
319.22797	1.5
329.21106	7.9
347.22153	44.4
365.23227	1.7
521.88635	1.2
567.44080	1.9
585.45184	50.0
586.45178	3.0
603.45868	8.3
765.51746	2.1
780.32635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01870	0.7
55.05518	2.7
57.03438	3.1
57.07090	1.1
61.02934	6.4
67.05513	9.0
69.03435	3.0
69.07076	2.0
69.15287	5.3
71.05008	2.5
71.08647	0.8
73.02925	4.4
79.05488	4.8
81.03416	4.0
81.07066	8.5
83.05009	0.8
83.08627	1.6
85.02924	4.2
85.06547	0.7
87.04471	0.8
91.03969	3.6
91.05476	4.4
93.07057	5.8
95.04995	1.2
95.08611	5.9
97.02901	6.3
97.06536	0.5
97.10195	0.9
99.04478	0.6
101.02401	1.6
103.08750	0.5
105.07055	3.0
105.58452	0.5
107.04999	0.6
107.08588	2.8
109.02898	1.5
109.10186	2.3
117.07030	1.0
119.08615	2.1
121.10174	2.4
123.11739	1.0
127.03946	1.5
129.05602	0.6
131.08588	1.9
133.10170	2.0
135.11731	1.4
145.10127	1.0
147.11711	0.9
149.09789	0.5
149.13319	1.2
159.11813	0.8
229.14442	0.6
243.08437	2.8
267.15924	1.9
272.79559	0.5
301.16553	1.1
311.25839	1.2
325.27579	0.9
335.26178	0.6
339.29144	0.7
340.29398	0.7
367.10330	0.6
451.97220	0.6
466.36288	0.8
485.23792	3.7
519.29309	7.8
548.40546	1.0
566.41705	0.8
763.46082	100.0
764.46527	5.2
787.61810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05516	7.4
57.03441	11.4
57.07079	27.3
59.05002	2.8
61.02911	2.7
65.03948	1.5
67.05508	47.5
69.03424	1.9
69.07072	8.1
70.06589	0.8
71.04999	3.8
71.08635	20.7
71.51948	0.7
72.08150	0.6
73.02916	0.9
79.05070	1.0
79.05492	11.6
81.03426	8.9
81.07061	21.2
83.04972	2.7
83.08625	9.6
85.02900	6.9
85.06544	2.2
85.09719	1.0
85.10186	11.5
85.26340	0.6
89.06001	1.2
91.03937	0.9
91.04982	0.8
91.05493	10.1
93.07040	8.8
95.04977	6.3
95.08612	18.4
97.02884	2.7
97.06533	1.5
97.10155	3.3
99.04475	1.3
103.05482	0.9
103.07588	0.9
105.07027	4.3
106.91907	0.6
107.04967	6.2
107.08593	4.3
109.06528	4.6
109.10161	44.4
111.04460	0.9
111.08057	2.0
111.11759	0.9
113.05988	0.8
115.05437	1.0
116.07115	0.8
117.07011	4.4
119.08572	3.7
121.06516	5.0
121.10110	2.3
123.04395	0.9
123.08109	1.0
123.11691	2.7
125.09631	0.7
131.07730	0.5
131.08556	4.0
133.10182	2.8
135.08055	1.3
135.11664	1.4
137.09615	2.5
137.13246	0.6
137.84271	0.7
141.06963	1.5
143.08513	1.0
145.06508	0.8
145.10138	3.5
149.09618	1.2
149.13264	1.5
155.10646	3.3
159.11693	4.8
161.09589	0.7
169.10139	1.7
173.11732	10.4
177.12758	1.0
179.10719	0.9
187.11224	3.3
195.13751	0.6
205.12242	3.8
223.13300	10.8
227.12714	0.6
229.14363	73.9
230.14609	1.2
237.14705	1.0
239.23654	1.9
257.24814	1.7
273.18640	0.8
279.15909	5.4
297.13577	1.2
297.16977	32.8
313.27371	100.0
314.27710	2.4
367.17676	0.6
395.62091	0.7
467.37357	49.7
468.37650	1.9
517.38831	2.5
534.25714	0.7
535.39960	21.4
536.40161	0.7
549.41266	1.2
553.40692	2.0
616.43823	1.4
764.41718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.39586	0.5
55.05510	1.4
57.03439	1.9
61.02931	4.5
62.84259	0.5
67.05507	4.0
67.66621	0.6
69.03435	3.8
69.07065	1.7
69.93784	1.0
69.94157	2.8
71.01346	0.7
71.05011	0.8
73.02930	3.6
79.05494	4.5
81.03420	3.0
81.07072	6.9
83.04986	1.0
83.08624	1.1
85.02913	5.6
86.09728	1.0
87.04461	0.5
91.03952	2.9
91.05480	4.7
93.07055	5.1
93.25824	0.6
95.04943	0.9
95.08610	3.4
97.02888	4.9
97.06546	0.8
101.02380	1.5
105.07050	4.1
107.04956	0.7
107.08604	2.5
109.02845	0.9
109.10173	1.3
115.03872	0.7
117.07052	1.2
119.08599	4.3
121.06554	1.1
121.10169	2.0
123.11729	1.5
127.03909	1.2
131.08542	0.9
133.10167	2.4
135.11716	1.4
140.51015	0.6
145.10156	1.0
147.11725	4.9
149.13332	1.0
159.11748	1.0
165.12761	0.9
170.57965	0.7
184.07385	2.8
185.04317	1.0
203.05217	0.7
243.08539	2.5
269.12283	0.6
301.09012	1.2
314.48303	0.6
315.10526	0.7
381.14587	0.6
453.20923	0.9
467.67621	0.6
469.20340	11.6
469.89120	0.6
535.28870	4.2
665.35211	1.1
689.50879	0.8
745.41199	9.3
763.42401	100.0
764.42682	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01880	0.4
55.05513	1.9
57.03441	1.6
61.02933	3.4
64.60447	0.3
67.05505	6.0
69.03438	2.3
69.07075	2.2
71.04993	0.8
71.17889	0.3
73.02924	2.7
77.68224	0.4
79.05493	4.4
81.03408	1.9
81.07063	5.4
83.04973	0.6
83.08631	1.4
85.02910	3.2
85.06538	0.5
85.68836	0.4
91.03970	1.9
91.05487	3.1
93.07058	4.5
94.07380	0.4
95.04983	0.8
95.08601	3.2
97.02903	3.9
97.06519	0.9
99.04424	0.4
101.02426	1.9
105.07033	2.0
107.04951	0.7
107.08626	2.5
109.02924	0.6
109.06543	0.6
109.10172	1.0
111.08170	0.5
117.06997	0.5
119.08622	2.4
121.06503	0.8
121.10140	2.2
123.08096	0.4
127.03946	1.2
129.07051	0.5
129.10439	0.4
131.08612	0.9
133.10176	1.4
135.11726	0.7
137.09625	0.4
145.05052	0.4
145.10162	0.8
147.11700	0.9
149.13286	1.3
157.10291	0.4
159.11737	0.8
163.11229	0.4
171.11697	0.5
177.12691	0.5
184.07446	0.8
185.04207	0.5
185.07689	0.4
193.12172	0.4
235.13177	0.6
235.50536	0.4
243.08429	3.2
251.12584	0.6
301.09000	0.4
333.20490	1.0
439.19302	0.8
453.20975	7.5
453.26767	0.7
469.20523	3.1
498.97189	0.5
535.28613	0.8
551.28296	3.5
665.34473	0.4
763.42365	100.0
764.42755	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05513	1.1
57.03437	1.3
59.05004	0.9
61.02936	3.5
63.26670	0.5
67.05518	2.9
69.03436	2.5
69.07058	1.2
71.01357	0.4
71.04990	2.1
73.02915	3.1
79.05489	3.7
81.03425	5.3
81.07056	3.6
83.04973	0.8
83.08633	1.4
85.02914	3.5
85.06553	0.9
87.04479	0.8
91.03971	2.8
91.05482	4.1
93.07037	3.2
95.04990	2.0
95.08610	0.9
97.02893	3.6
97.06546	1.0
98.21546	0.8
99.04422	0.7
101.02378	1.5
103.05489	0.5
105.07043	2.6
107.04955	1.0
107.08609	1.9
109.02918	1.2
109.10156	0.8
117.07088	0.6
119.08573	1.9
121.06538	0.6
121.10136	3.1
123.04431	0.5
127.03916	0.9
129.05556	0.7
129.07008	1.7
131.08566	2.3
133.10149	2.3
137.05930	0.5
142.07857	0.5
147.11717	2.2
149.09630	2.4
157.10133	2.0
172.90532	0.5
175.11279	1.0
193.12308	1.9
196.02147	0.5
197.15315	0.5
211.13268	0.7
225.14911	0.9
229.03084	0.8
231.13580	0.5
243.08284	2.4
253.14120	0.6
264.80069	0.5
267.15878	1.1
283.15179	7.0
339.17825	1.6
441.21198	0.7
469.20752	0.7
501.23123	26.5
502.23508	1.1
599.33942	0.8
618.05060	0.5
657.31165	0.7
761.39301	100.0
762.39648	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01869	0.8
55.05510	1.5
57.03432	1.6
61.02940	4.0
67.05508	3.9
67.51320	0.3
68.05821	0.4
69.03432	2.3
69.07068	1.7
71.01366	0.5
71.05012	0.4
71.51563	0.6
73.02911	3.1
79.05496	5.0
81.03417	2.1
81.07058	4.3
82.58156	0.4
83.04989	0.8
83.08632	1.1
85.02910	3.6
86.09720	0.8
91.03979	2.2
91.05486	4.8
91.06018	0.4
93.07050	6.0
94.01847	0.4
95.04980	1.2
95.08627	3.7
97.02904	4.0
97.06526	0.6
99.04476	0.9
101.02403	1.0
105.04523	0.4
105.07024	4.0
107.08602	3.4
109.02911	0.7
109.06566	0.6
109.10200	1.1
117.07071	1.1
119.08592	2.9
121.06535	0.6
121.10166	2.2
125.00037	0.6
127.03964	1.0
129.07013	0.5
131.08606	1.6
133.10133	1.9
135.11729	2.7
145.10168	1.5
147.11722	0.9
147.65248	0.4
157.10164	0.5
159.11760	0.7
160.82957	0.4
161.13326	0.8
163.11182	2.2
181.12158	0.7
184.07349	2.8
185.04308	0.9
185.07741	0.6
201.01074	0.4
201.03763	0.5
203.05453	0.5
227.12831	1.7
241.06845	0.5
243.08478	3.2
249.11006	10.4
259.20694	0.8
289.14182	1.3
301.09055	1.3
305.13651	1.0
315.10559	0.7
341.12216	0.4
347.14618	1.0
371.16843	0.6
373.10989	0.5
383.16675	0.5
397.18405	0.5
443.19022	0.9
465.21243	0.8
467.18900	6.3
535.28815	8.0
539.21106	1.6
546.38220	0.7
567.24652	0.8
761.40839	100.0
762.41272	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	760.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01875	5.2
55.05515	23.8
57.03433	14.7
57.07077	4.2
61.02928	5.7
65.03941	4.3
67.05508	100.0
69.03420	6.8
69.07068	27.0
71.04993	21.3
71.08624	4.8
73.02930	2.9
79.05495	60.6
80.05846	2.6
81.03420	15.1
81.06586	4.5
81.07059	82.1
83.04984	10.3
83.08630	17.4
85.02918	6.5
85.06538	10.3
89.06016	2.1
91.05486	61.1
92.05800	4.0
93.07045	71.7
94.07379	2.4
95.04980	13.3
95.08614	51.7
97.02891	5.3
97.06529	11.4
97.10178	7.5
99.08075	5.6
105.07037	47.1
107.04950	5.8
107.08596	36.6
109.06516	8.4
109.10160	42.5
111.04482	2.2
111.08087	5.7
117.07010	15.5
118.06563	2.7
119.08587	40.4
121.06514	6.7
121.10160	21.7
123.08058	5.0
123.11701	5.2
123.81997	2.0
124.99996	4.1
125.09641	6.1
128.06186	3.3
129.07024	10.8
131.08575	25.4
133.10139	33.7
135.08046	5.1
135.11700	23.9
137.09595	11.0
137.13264	2.3
139.07545	2.6
143.08542	10.3
145.10136	24.1
147.11674	19.1
149.09657	3.6
149.13255	16.7
151.11171	6.4
155.10629	3.6
157.10147	8.8
159.11684	21.5
161.09633	2.5
161.13277	14.5
163.11198	9.4
165.12834	2.8
169.10181	3.5
171.11737	7.3
173.11786	3.7
173.13269	7.2
175.11263	2.5
175.14813	2.3
177.12840	4.0
179.14304	4.5
183.11737	3.7
184.07367	8.9
184.71034	1.9
185.13235	7.7
195.13814	5.7
196.51166	2.2
197.13324	3.3
199.14862	4.7
205.16771	2.2
211.13264	4.2
227.12825	7.6
229.14401	3.8
230.15413	3.6
241.19583	9.5
255.15955	2.3
257.19080	2.8
259.20569	22.8
269.17453	26.9
271.19077	8.5
275.20065	7.7
277.21692	6.2
284.15921	2.7
285.17010	5.8
287.18643	11.7
315.23126	5.1
333.24265	16.7
335.25772	5.8
351.25223	6.1
375.39752	2.1
395.29483	4.6
423.27423	2.5
451.30591	3.6
463.30569	28.7
465.32074	5.9
469.32877	2.9
487.34198	49.1
489.35199	2.8
495.34372	2.4
513.35834	24.3
519.36829	5.9
527.37201	4.8
544.37280	2.7
545.38287	42.5
563.38910	6.0
751.81866	2.5
760.39819	8.2
761.40515	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	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05508	1.3
57.03150	0.4
57.03432	1.3
61.02927	3.6
63.61290	0.4
67.05511	4.3
69.03427	2.5
69.07069	1.2
73.02938	2.4
77.79021	0.4
79.05498	6.8
81.03419	1.4
81.07069	4.7
83.04960	0.7
83.08633	1.4
85.02911	4.4
85.06551	0.8
91.03965	2.4
91.05491	5.2
93.07065	6.8
95.04963	1.9
95.08609	3.2
97.02876	3.5
99.08114	0.5
101.02390	1.6
105.07044	4.1
107.04988	0.7
107.08604	2.4
109.02901	0.6
109.10154	0.7
117.07043	0.7
119.08586	3.0
121.10176	1.5
127.03902	0.6
129.07019	1.5
131.08559	1.4
133.10136	2.0
135.11720	0.9
143.08549	1.0
145.10150	0.9
147.11670	2.3
149.13266	0.6
159.11732	0.8
161.13292	0.7
171.11719	1.4
185.04257	0.7
229.07520	0.4
243.08266	2.6
247.13083	1.5
259.20505	0.6
269.17282	0.5
301.09018	1.4
310.92807	0.5
315.10532	0.8
317.20688	0.6
355.22037	0.4
392.82532	0.5
397.18463	0.5
441.66412	0.5
465.20963	9.0
495.22250	0.7
535.28754	5.6
537.23456	1.1
627.95850	0.5
759.42914	100.0
760.43341	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	760.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
54.36344	1.5
55.01872	7.8
55.05519	15.1
57.03436	7.4
60.05624	1.3
60.08150	2.3
61.02919	2.1
64.83221	1.4
65.03925	2.4
67.05507	42.4
69.03421	6.1
69.07066	18.0
70.09627	1.4
71.04990	6.2
71.07381	1.7
73.02909	1.3
75.94848	1.3
79.05072	2.2
79.05499	27.2
81.03429	9.0
81.06590	3.0
81.07059	44.3
83.04980	7.6
83.08623	6.6
85.02906	3.0
85.06532	5.6
86.09722	10.8
91.05485	39.6
93.07051	30.5
95.04964	6.5
95.08607	13.3
97.02892	2.5
97.06503	7.7
97.10153	3.9
98.21534	2.6
99.04426	3.5
103.05471	2.7
105.07037	37.5
107.04953	5.2
107.08604	36.6
109.02905	2.4
109.06519	7.4
109.10162	45.6
111.08038	1.5
113.06003	2.3
117.06990	5.7
119.08595	12.7
121.06503	3.4
121.10137	7.0
123.04446	1.6
123.08018	1.9
123.11705	8.5
124.99978	5.0
125.09639	4.0
127.07583	3.7
129.05457	1.4
129.07033	3.4
131.08588	7.3
133.10138	61.7
135.08138	1.6
135.11700	5.5
145.10117	7.4
147.11702	4.8
149.09627	4.9
149.13268	4.0
151.11180	24.7
154.55962	1.5
159.07938	1.4
159.11717	6.5
159.67052	1.6
161.09636	2.3
161.13199	2.4
163.11250	3.1
169.12241	4.6
169.95125	1.5
171.11737	2.5
173.04430	1.6
173.09526	2.0
173.13176	2.0
177.12671	2.2
179.10616	1.6
179.14311	1.5
184.07349	27.6
189.11258	2.7
197.13237	1.4
211.75652	1.5
215.12752	3.0
227.12778	4.5
239.17900	2.0
253.14365	100.0
254.14708	3.1
255.15907	2.7
257.19006	5.4
269.17438	5.9
271.15405	28.0
275.20114	22.6
293.21323	1.9
349.23718	14.4
423.23862	4.9
425.25238	2.3
451.27036	7.0
465.22342	2.5
465.28537	30.8
527.33777	2.9
545.34735	26.2
546.35199	1.6
563.35522	4.4
598.37445	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	760.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01878	7.8
55.05516	12.9
57.03443	6.2
60.05637	1.6
60.08163	2.4
61.02926	2.1
64.37795	1.0
65.03940	2.1
67.05510	44.7
69.03421	6.1
69.07072	14.3
71.01349	1.3
71.04993	5.3
71.51302	1.7
73.02889	1.3
77.03920	1.1
79.05081	1.6
79.05502	25.0
81.03418	7.2
81.06592	2.4
81.07063	42.0
83.04971	8.5
83.08617	6.5
85.02893	3.2
85.06535	4.4
86.09717	8.9
91.05486	41.5
93.06481	1.8
93.07049	27.0
95.04972	7.7
95.08606	12.8
97.02892	3.0
97.06526	6.6
97.10184	5.1
98.98502	1.3
99.04453	1.7
99.08076	1.9
104.61472	1.0
105.07039	31.4
107.04964	5.9
107.08595	31.7
109.02882	1.2
109.06509	6.3
109.10168	38.3
111.04522	1.6
111.08057	2.7
113.06010	2.0
117.07037	6.2
119.08585	9.5
121.06491	3.6
121.10149	7.1
123.04486	1.3
123.08067	2.2
123.11707	7.4
124.99995	7.2
125.09663	2.6
127.03874	1.2
127.07543	2.0
129.06969	3.0
131.08572	7.8
133.10141	51.3
134.10472	1.9
135.08034	3.1
135.11700	4.6
137.09656	1.2
140.66197	1.1
141.06963	1.6
143.08566	2.1
145.10121	5.7
147.08055	1.5
147.11661	4.3
149.09636	6.7
149.13251	2.4
151.11195	25.5
155.08435	1.2
157.10164	2.5
159.11729	4.8
161.09689	1.9
161.13177	1.3
163.11208	3.2
165.09102	1.2
169.10117	1.7
169.12244	5.2
173.04474	1.6
173.13292	2.9
177.12793	1.3
179.10640	1.1
179.14352	1.9
180.81416	1.0
184.07364	29.7
184.09009	1.9
189.11220	2.0
201.12813	1.4
215.12759	3.3
227.12715	5.6
239.17900	2.0
247.20609	1.2
253.14366	100.0
254.14523	2.9
255.16022	1.3
257.19006	3.9
269.17441	4.1
271.15439	26.7
275.20087	19.6
293.21112	1.6
325.75699	1.2
349.23718	15.5
413.21414	1.7
423.23676	4.7
425.25314	1.5
447.27832	1.8
449.28653	1.3
451.27057	6.9
465.28546	24.9
527.33759	2.9
545.34692	26.4
546.34784	1.5
563.35315	3.4
598.37720	1.7
742.42657	1.7
760.40442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01860	1.6
55.05512	17.5
57.03434	6.9
57.07060	2.5
61.02910	2.9
65.03934	2.8
67.05507	73.5
69.03429	1.3
69.07076	12.1
71.00922	1.9
71.04996	22.7
73.02898	1.1
77.03931	1.0
79.05495	42.3
81.03413	2.3
81.07059	100.0
83.04960	3.5
83.08626	8.9
85.02898	2.7
85.06542	8.2
91.03956	1.4
91.05485	30.8
93.07047	39.2
93.07639	2.0
95.04942	3.2
95.08614	25.7
97.02878	1.9
97.06519	4.1
97.10154	2.8
105.04507	1.5
105.06393	1.4
105.07034	16.0
107.07881	1.7
107.08595	25.9
109.06485	1.3
109.10160	12.9
111.08078	2.3
114.47213	0.8
115.14301	0.8
117.07039	5.4
118.01881	0.8
118.95161	0.9
119.08585	9.1
121.10143	14.5
123.08018	1.7
123.11720	15.5
125.09591	1.1
129.07048	1.2
131.08568	8.0
131.39485	0.9
133.10129	17.1
134.10394	1.1
135.11694	9.3
143.70488	0.8
145.10141	4.2
147.11691	3.4
149.13255	6.2
151.11192	6.2
153.12701	1.0
157.10130	1.4
159.11697	6.7
161.13217	2.9
163.01112	0.9
163.14857	1.3
164.68919	0.9
169.12202	1.2
173.13275	3.6
183.13823	3.1
184.07434	0.9
187.13278	3.1
187.14789	1.2
195.13718	1.9
223.67113	0.8
227.16338	1.7
257.17493	1.8
259.20602	1.3
261.22101	1.7
269.17477	4.5
301.20108	17.8
317.24677	1.5
335.25827	27.4
341.57742	0.8
485.36343	2.6
503.37326	90.2
504.37772	4.5
513.55005	1.0
517.38757	4.4
529.38959	13.7
561.41516	77.7
562.41614	5.1
606.03857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.05518	26.4
57.03445	13.0
65.03931	5.1
67.05180	4.0
67.05511	66.8
69.03415	3.6
69.07075	18.6
71.04990	6.1
73.01385	2.3
79.05074	3.7
79.05495	53.4
79.29919	2.2
81.03402	4.4
81.06594	5.4
81.07062	100.0
83.04965	9.5
83.08624	17.2
85.02898	5.3
85.06548	7.0
91.05489	69.8
93.07049	54.2
95.04969	7.5
95.08067	3.4
95.08619	43.0
97.02886	2.7
97.06541	13.2
97.10194	2.6
98.20777	9.3
99.08070	3.7
105.07038	68.6
105.60282	2.9
107.04962	3.7
107.08596	36.0
109.06548	7.9
109.10187	12.2
110.70009	2.6
117.07024	18.7
119.07807	4.8
119.08588	61.0
121.06464	3.1
121.10149	30.4
123.08062	5.6
123.11720	21.1
125.09637	3.0
129.07013	10.9
131.08578	19.1
133.10136	36.9
135.11656	16.5
143.08542	10.0
145.10167	13.8
147.10518	3.6
147.11694	68.7
149.09700	3.4
149.13258	12.0
151.11198	2.9
157.10146	7.1
159.11639	12.0
161.13306	13.8
163.11150	4.8
163.14719	3.3
165.12766	23.8
171.11691	10.8
173.13260	4.8
175.14841	7.6
177.12569	3.0
183.13803	4.4
184.07323	5.0
185.13237	9.6
193.12234	3.6
195.13831	4.0
199.14700	3.4
229.14445	5.3
229.26884	2.9
241.19478	23.7
257.19083	2.9
259.20605	52.6
267.15918	36.0
269.17450	9.0
275.20209	3.3
277.21625	5.2
285.16962	59.3
315.23291	6.3
333.24274	54.8
349.23712	5.8
351.25195	9.9
449.28976	6.8
451.31992	3.2
463.30643	21.7
469.33112	2.8
525.35419	5.1
543.36658	32.5
561.37854	16.7
759.38763	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.1
55.01869	8.0
55.05515	38.0
57.03439	28.2
57.07082	6.8
61.02926	6.7
65.03944	4.6
67.05510	78.4
69.03435	6.5
69.07071	30.3
71.04987	8.3
73.02903	4.4
79.05500	87.6
81.03421	67.9
81.03876	2.3
81.07063	90.1
83.04984	21.0
83.08624	36.3
85.02921	27.2
85.06557	5.4
86.09717	5.3
91.05488	100.0
93.07050	91.4
95.04974	31.8
95.08619	41.4
97.02898	5.8
97.06534	11.6
97.10184	17.0
103.05418	4.1
105.07043	90.6
105.56698	3.3
107.04948	10.6
107.08604	51.2
109.06527	10.4
109.10153	16.2
111.08086	9.7
113.06006	5.8
117.07037	25.1
119.08598	63.1
121.06512	10.4
121.10166	32.0
123.08084	7.0
123.11675	5.3
125.09628	14.7
128.28615	3.2
129.07007	19.4
131.08577	46.6
133.06413	3.9
133.10129	63.2
135.08090	4.6
135.11708	18.4
137.09711	2.9
141.06979	3.6
142.07835	4.6
143.08582	11.1
145.10120	24.5
147.08017	4.0
147.11690	47.2
148.14757	3.6
149.09618	9.6
149.13313	17.3
157.10152	21.1
159.11720	20.1
161.13258	24.4
163.11247	6.0
165.12700	3.9
169.10117	5.1
171.11682	11.6
173.11888	3.7
173.13277	14.8
175.11211	15.0
175.14851	11.4
177.12794	3.4
181.10103	5.3
183.11676	3.7
184.07349	15.6
185.13268	10.4
189.11263	8.4
193.12236	41.9
199.14896	5.8
211.13275	54.6
213.16415	3.5
227.12726	18.4
231.21039	3.8
241.19609	25.3
257.19077	8.5
259.20578	55.9
267.15939	26.6
269.17523	34.6
275.20190	13.0
283.15372	7.4
285.16953	62.5
291.19794	4.0
315.23184	6.9
331.22586	4.9
333.24268	50.8
349.23666	13.9
402.98663	3.4
420.22556	3.4
433.31165	7.4
439.26996	10.6
451.31970	11.5
469.32816	5.8
515.37524	5.6
519.19507	3.7
525.35883	29.0
543.36884	95.0
544.37378	4.0
561.38171	6.3
596.35522	7.6
782.08447	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01876	9.6
55.05272	2.1
55.05518	30.2
57.03443	15.2
57.07067	2.2
61.02927	2.4
61.36561	1.7
65.03937	5.7
67.05515	79.1
68.75810	1.7
69.03428	5.3
69.07076	34.4
71.04996	7.0
79.05076	3.5
79.05505	57.6
81.03429	23.1
81.07067	100.0
82.07407	2.0
83.04980	12.8
83.08640	21.9
85.02918	5.2
85.06540	5.1
91.05494	58.8
93.07056	76.3
94.07410	1.7
95.04967	18.0
95.08058	3.0
95.08620	33.9
97.02904	4.4
97.06558	19.5
97.10193	9.6
99.04492	1.7
99.08099	4.9
102.01913	2.0
105.07042	39.5
107.04967	8.7
107.08608	50.0
109.06513	4.5
109.10175	10.3
111.08093	10.0
117.07027	16.7
119.08589	28.5
121.06501	4.8
121.10167	23.7
123.08061	2.3
123.11715	6.6
125.09659	6.6
127.03933	2.3
129.07021	7.3
131.08588	21.0
133.10152	24.8
135.08020	5.1
135.11707	24.5
136.12180	1.6
137.09624	2.6
141.07037	1.9
143.08577	4.4
145.10115	17.7
147.08049	3.4
147.11711	15.3
149.09656	9.3
149.13272	26.0
151.11217	2.4
155.08638	2.1
157.10121	7.4
159.11720	21.3
161.13264	8.6
163.11188	10.0
171.11612	3.5
173.04672	2.0
173.13257	5.3
175.11221	3.9
175.14825	3.6
177.12796	8.0
183.11761	2.3
184.07358	2.2
185.13290	3.2
189.11208	2.5
193.12250	14.8
195.13803	10.8
199.16927	1.7
211.13295	16.6
227.12813	20.2
228.13011	4.2
239.17952	3.3
241.19530	7.1
251.16556	2.2
255.15886	4.4
257.19006	7.3
259.20575	14.8
269.17511	77.6
270.17883	2.5
275.20078	25.8
283.15436	3.5
284.15640	2.9
285.17007	13.1
333.24396	12.3
334.24530	2.9
335.25134	1.8
349.23853	19.4
350.56940	2.1
365.22989	2.0
439.26932	6.6
447.31577	2.6
449.28970	15.2
463.30588	64.3
464.31097	3.8
525.35706	4.7
543.36902	55.6
544.37018	3.6
561.38055	7.2
607.35211	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	757.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01879	2.6
55.05518	10.9
57.03445	6.1
57.07078	2.0
58.39962	0.9
61.02932	16.2
65.03930	1.2
67.05508	25.6
69.03436	8.1
69.07070	9.7
71.01368	1.6
71.04994	2.9
71.51063	1.4
73.02923	8.5
79.05499	18.3
81.03422	9.9
81.07063	26.6
82.07405	1.0
83.04994	2.4
83.08638	7.2
85.02903	14.9
85.06538	1.2
91.03971	7.4
91.05479	20.0
93.07046	19.4
95.04967	4.2
95.08001	1.0
95.08616	19.9
97.02898	10.4
97.06523	1.7
97.10173	4.4
99.04439	1.2
101.02383	2.3
105.04520	1.0
105.06382	1.7
105.07043	16.3
107.04984	1.6
107.08598	12.0
109.06495	1.9
109.10159	6.1
111.04424	1.1
111.08070	2.4
115.05447	1.7
117.07035	6.6
119.08590	13.7
121.06537	1.5
121.10153	9.5
122.10452	1.3
123.08054	1.8
123.11695	2.1
125.09604	1.3
127.03920	1.6
128.06204	2.6
129.07016	8.7
131.08571	15.5
133.10141	8.7
134.10541	1.3
135.11705	5.5
141.06975	5.4
142.07753	3.7
143.08571	14.4
145.10138	13.0
147.11729	4.4
149.09633	1.7
149.13300	2.8
153.06960	0.9
154.07817	1.4
155.08562	9.1
156.09355	2.2
157.10135	13.3
159.11696	9.2
161.13257	3.2
163.11243	1.4
167.08577	3.2
168.09311	1.6
169.10118	10.7
171.11723	9.0
173.13235	5.2
175.14816	1.8
179.08588	2.0
181.10135	7.3
182.10941	1.7
183.11699	11.1
184.07439	2.7
185.13243	5.3
187.14812	2.9
193.10139	2.6
193.12270	1.2
195.11736	5.9
196.12442	1.5
197.13266	8.8
199.13243	1.5
199.14877	3.9
207.11723	2.1
209.13283	4.3
211.14861	4.7
213.16428	2.5
221.13268	2.9
223.14877	3.0
225.16386	3.4
227.12665	1.3
227.18076	2.1
233.13292	1.0
235.14816	1.7
237.16400	2.5
239.18089	2.3
241.17906	1.0
245.12968	1.1
249.16382	1.9
251.18054	1.2
261.22113	1.6
265.19601	1.6
267.15894	3.2
268.16156	1.4
273.18735	1.1
275.20282	1.5
296.37170	1.0
297.22156	1.9
301.16400	2.6
311.23749	1.0
313.21729	1.1
321.22171	1.3
323.23538	1.8
325.21564	1.5
328.04660	1.2
335.25815	4.1
336.26160	3.8
337.25208	1.6
341.24942	1.5
377.28668	1.3
503.38809	6.6
507.34393	1.1
513.35950	1.3
521.39734	4.2
525.36072	1.7
527.37701	1.9
528.37512	2.5
545.38385	1.0
546.38934	1.7
559.41589	1.2
561.37909	1.6
575.48047	1.1
577.42603	6.1
595.43610	100.0
596.43878	6.0
607.43842	1.3
721.46082	1.5
739.47253	2.4
750.78613	0.9
757.49139	19.8
758.48645	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01878	1.0
55.05507	1.6
57.03435	1.6
60.72239	0.4
61.02932	3.4
61.08831	0.4
61.12686	0.4
66.10096	0.4
67.05507	4.9
69.03430	2.4
69.07070	2.6
69.85390	0.9
69.85808	1.4
73.02919	2.6
79.05489	6.9
79.45151	0.4
81.03421	2.8
81.07066	4.9
83.04993	1.3
83.08628	0.4
85.02912	3.6
89.63940	0.4
91.03969	2.0
91.05483	4.8
93.07054	4.4
95.01348	0.8
95.04976	1.5
95.08601	3.1
97.02894	3.1
97.06551	0.5
99.04452	0.6
101.02402	1.6
105.07033	4.8
107.04962	1.3
107.08617	1.9
109.02899	0.7
109.06546	0.9
109.10166	0.9
117.07019	1.0
119.08580	2.6
121.06519	0.5
123.08074	0.7
127.03955	1.1
129.07030	1.3
131.08612	1.1
133.10126	2.4
135.11740	0.6
143.08546	0.7
145.10158	1.8
147.11710	1.9
149.09660	0.6
159.11723	0.8
161.13283	1.0
171.11760	1.6
179.14323	0.6
185.04192	0.4
241.19795	0.4
243.08376	3.1
247.13187	1.5
266.91754	0.5
275.20178	0.7
289.46841	0.5
315.19296	3.9
371.21851	0.9
428.79315	0.5
465.20941	10.3
465.72495	0.5
533.27252	8.2
595.36133	0.6
757.41315	100.0
758.41437	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	757.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01881	0.7
55.05511	1.6
57.03427	2.2
57.07077	3.1
59.04989	0.8
61.02932	5.6
67.05505	3.1
69.03436	2.9
69.07070	2.3
69.24324	1.2
69.24757	2.5
70.31901	0.4
71.01361	0.4
71.04999	1.7
71.08625	2.5
73.02930	3.5
79.05505	2.8
81.03429	4.1
81.07064	4.4
83.04992	0.5
83.08636	2.4
85.02913	4.8
85.10178	1.5
86.09713	1.2
87.04489	0.6
91.03976	2.9
91.05474	2.5
93.07050	2.9
94.49158	0.3
95.04990	1.4
95.08621	3.0
97.02900	4.4
97.06544	0.8
97.10180	0.7
99.04459	1.1
101.02382	1.1
105.07048	1.8
107.04944	0.6
107.08609	1.5
109.02853	0.5
109.10184	1.5
111.08118	0.4
117.07066	0.3
119.08581	1.5
121.10155	2.1
123.11736	0.6
127.03957	1.1
128.92546	0.4
129.07025	0.9
131.08577	1.5
133.10144	1.3
135.11687	0.9
140.97389	0.4
147.11708	1.4
149.09642	1.7
151.07533	0.4
151.11198	0.4
156.63452	0.4
157.10159	1.4
163.11214	0.4
167.29124	0.4
175.11278	0.9
179.14488	0.4
184.07317	3.5
185.04266	0.9
193.12285	1.4
223.14934	0.4
243.08347	2.4
267.16089	1.1
275.20093	0.8
277.21686	0.8
283.02417	0.4
283.15216	4.3
313.27417	0.9
339.17914	0.8
368.36050	0.5
459.84479	0.4
469.20639	0.8
497.30994	6.6
501.23071	14.1
502.23532	0.7
545.38837	0.6
585.45270	1.3
757.47095	100.0
758.47546	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	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01867	3.1
55.05518	13.8
57.03445	6.2
59.05013	1.0
65.03954	0.9
67.05509	14.3
69.03426	1.8
69.07054	4.9
69.42339	3.6
69.42767	3.3
71.04987	3.4
74.12601	0.9
79.05496	21.2
81.03423	41.9
81.07055	15.8
83.04980	3.5
83.08624	13.8
83.81229	0.9
85.06528	1.0
85.23048	0.9
91.05487	14.8
93.07047	14.5
95.04974	18.2
95.08620	7.4
97.02889	1.6
97.06528	2.6
97.10178	12.5
98.21481	2.2
105.07036	10.8
107.04968	13.5
107.08609	8.4
109.06509	7.9
109.10146	5.2
111.08067	3.7
112.44695	0.9
115.05490	0.9
117.07045	2.8
119.05000	1.4
119.08606	8.7
121.06507	7.4
121.10155	7.2
123.04419	1.4
123.08066	2.7
125.09646	10.4
128.06230	1.1
129.07043	7.2
131.04944	1.4
131.08586	6.8
133.06502	3.5
133.10120	2.9
135.08072	5.4
135.11719	1.1
139.11140	1.0
141.06990	1.6
142.07768	1.7
143.08554	2.8
145.06503	6.1
145.10139	3.9
147.04433	2.4
147.08072	4.5
147.11702	5.6
149.09608	5.1
153.09116	2.8
153.12813	1.3
155.08549	1.6
157.06567	1.3
157.10136	6.3
159.11740	1.9
161.05937	1.5
161.09613	1.7
163.11153	2.0
165.12811	1.0
169.10204	1.0
171.10231	2.1
171.11629	2.2
175.11177	4.9
183.11729	2.0
187.14743	1.3
189.11227	4.9
189.12650	1.7
193.12228	14.2
195.11699	1.4
197.13284	1.3
199.11172	2.9
205.12212	1.3
213.12712	1.3
215.14297	1.7
217.12315	1.1
219.13754	1.5
223.11159	1.1
223.13255	1.2
227.12636	1.7
233.15381	2.6
235.13326	1.1
237.12776	2.0
245.15320	1.4
249.14816	1.8
251.42595	1.1
255.13750	1.8
267.15924	32.8
268.16354	1.0
273.14856	4.4
306.75623	1.0
317.15503	1.3
339.23141	3.4
349.21616	2.9
357.24323	1.7
367.22693	15.0
385.23755	19.3
386.23947	1.9
403.24872	6.6
407.68860	1.0
441.26511	9.6
459.27432	100.0
460.27762	3.3
477.28516	78.7
478.28854	2.7
491.29932	10.8
501.28357	3.2
509.31082	4.4
567.29297	1.5
577.48840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01863	4.4
55.05506	16.0
57.03431	9.8
58.06884	2.2
60.22509	2.3
62.18364	1.8
65.03956	2.6
67.05505	33.1
68.65649	1.9
69.03418	2.6
69.07063	12.7
70.63638	5.3
70.64011	4.8
71.04988	4.7
72.07457	2.4
79.05492	44.1
80.76192	2.0
81.03422	4.3
81.07058	37.6
83.04951	3.2
83.08621	11.3
91.04976	3.5
91.05489	41.8
93.06494	3.5
93.07053	57.3
93.07639	4.6
95.04958	10.7
95.08057	3.7
95.08607	44.9
97.02879	5.8
97.06541	5.4
99.04446	2.7
103.05466	3.3
105.07038	43.4
107.04974	10.4
107.08602	39.1
109.06499	3.6
109.10161	11.6
111.04479	2.6
117.06988	17.3
117.84927	2.2
119.08589	34.0
121.06502	6.9
121.10143	21.5
128.93736	2.1
129.06993	7.4
130.07750	3.4
131.08527	12.4
133.10146	22.1
135.08076	3.7
135.11697	51.8
143.08485	3.7
145.10127	34.7
147.11671	20.4
149.13223	4.5
157.10112	6.6
159.11693	5.4
161.13225	13.6
163.11183	65.9
171.11626	5.1
173.13202	2.3
175.14833	7.4
181.12206	11.7
184.07347	3.1
185.13301	4.7
187.14861	3.4
199.14816	2.9
211.13126	3.4
227.12785	100.0
231.21066	5.0
241.19527	25.8
259.20581	59.9
266.08853	2.0
275.20090	4.3
277.21878	2.4
283.15387	80.6
315.23157	7.3
333.20413	4.3
333.24231	67.3
334.24393	2.7
541.35309	44.6
559.36493	12.7
708.72845	2.6
745.77625	2.9
781.00879	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	755.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	14.7
55.01872	10.6
55.05270	3.1
55.05514	42.2
57.03440	12.7
57.07070	6.7
59.04996	2.2
61.02921	3.4
61.06259	1.9
61.67357	2.0
65.03954	9.8
66.22371	1.8
67.05511	96.6
69.03435	17.8
69.07068	28.3
69.14471	10.1
69.14899	11.6
71.01360	3.1
71.05012	4.7
71.08634	5.0
73.02924	5.6
75.00845	1.8
79.05500	95.3
80.97935	2.0
81.03432	21.8
81.07063	99.7
83.04983	10.9
83.08611	13.7
85.02901	15.2
85.06549	4.0
86.09724	2.8
87.04441	2.0
91.05490	91.0
91.35616	2.1
93.07051	100.0
95.04983	19.8
95.08617	67.4
96.80464	1.9
97.02916	13.4
97.06522	4.7
97.10172	4.8
99.04440	4.3
99.08105	4.2
103.05497	3.7
105.04533	5.1
105.07037	72.3
107.05000	11.3
107.08606	41.1
109.02880	6.9
109.06525	8.6
109.10175	25.0
111.04454	4.3
111.08088	3.4
113.00024	2.9
115.05460	7.9
116.06313	3.4
117.07034	38.5
119.04929	2.3
119.08597	54.0
119.09476	2.6
121.06498	8.9
121.10154	36.6
121.11020	2.3
123.04450	2.7
123.08073	7.9
123.11732	5.5
123.94649	2.3
125.00029	2.6
127.03911	4.9
128.06250	13.5
129.05507	4.9
129.07008	26.9
130.07751	3.0
131.04915	2.6
131.08578	50.9
133.06505	9.4
133.10136	36.9
135.08043	9.9
135.11713	19.0
136.10435	2.5
137.09637	3.6
137.13290	2.6
141.06993	12.0
142.07780	7.4
143.08580	29.0
145.04936	2.5
145.06537	9.8
145.10138	38.3
147.08080	8.5
147.11707	21.7
149.09654	5.8
149.13261	9.3
153.07048	3.1
154.07837	3.0
155.08543	16.6
156.09261	2.4
157.06522	4.0
157.10162	24.4
159.08057	9.9
159.11717	30.3
161.09683	6.4
161.13252	11.6
163.11212	4.9
163.14911	2.3
165.07030	4.8
166.07787	3.5
167.08615	7.1
168.09373	2.8
169.10162	16.1
171.08084	6.2
171.11700	19.2
173.09628	6.1
173.13275	18.0
175.11203	5.6
175.14850	6.7
177.12787	4.8
179.08521	3.5
179.14319	3.8
181.10149	7.2
183.08102	4.8
183.11720	13.2
184.07368	6.1
185.09654	7.0
185.13237	16.2
187.11208	6.9
187.14828	4.8
189.12730	3.9
193.10156	6.5
194.10956	2.5
195.08107	2.6
195.11737	9.6
197.09616	2.6
197.13239	10.8
199.11179	5.6
199.14842	7.5
201.12775	6.8
201.16449	3.6
203.14218	2.2
205.10197	2.4
205.15932	2.1
207.11708	3.6
209.09546	2.7
209.13283	9.4
210.10466	2.2
211.11246	5.6
211.14856	4.8
213.12888	5.5
213.16473	2.5
217.16019	3.1
223.11223	5.7
223.14868	4.0
225.12764	2.8
227.17873	2.2
235.14944	2.2
237.12633	2.8
239.14285	3.6
241.19580	4.6
253.19542	3.4
257.18961	4.5
259.16812	2.7
259.20554	14.2
261.22266	6.3
269.19073	3.7
271.20581	6.7
273.22006	3.6
275.20114	4.7
277.21750	4.7
283.20584	4.6
285.18411	2.3
287.20111	4.6
289.21600	3.1
291.23920	2.2
295.20612	3.9
297.22415	2.8
299.20123	4.9
301.21637	8.8
309.21948	2.6
311.20264	3.5
313.21622	8.9
315.23187	4.7
325.21661	7.8
331.22882	2.4
331.26459	4.1
333.24310	4.6
335.25821	43.4
337.21613	4.5
339.23123	7.8
343.22711	4.8
349.21237	11.8
357.24213	4.3
361.23483	2.9
363.25418	5.6
367.22739	20.5
373.23956	2.8
375.25183	2.5
385.23688	15.7
387.24802	3.2
387.29126	6.4
403.24738	11.2
421.25644	3.3
423.25378	2.7
441.26358	9.2
459.27319	9.3
477.28421	9.2
583.42987	2.9
593.45349	3.9
609.44556	4.6
635.46771	4.7
643.44934	5.1
647.46332	2.6
677.47412	7.2
683.47803	2.6
689.47546	7.8
701.47961	14.5
719.48517	16.5
737.50372	16.3
755.50958	33.0
756.51080	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	755.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01884	15.7
55.05519	28.3
57.03442	28.8
61.02908	6.3
65.03934	10.1
67.05506	88.8
68.46497	3.2
69.03416	11.5
69.07072	21.3
71.04977	7.9
71.51326	5.1
78.66306	3.7
79.05070	4.6
79.05493	61.9
81.03413	24.7
81.06590	6.0
81.07058	100.0
83.04984	11.0
83.08609	11.8
85.02909	8.5
85.06557	17.2
91.03954	4.3
91.05487	57.6
93.07049	49.5
95.04984	63.1
95.08607	37.7
97.02886	8.1
97.06537	16.1
97.10175	6.5
99.04464	3.7
99.08109	3.8
105.07043	59.5
107.04952	11.0
107.08607	37.5
108.97566	3.2
109.02900	5.3
109.06518	49.8
109.10161	11.6
111.04484	4.7
111.08084	5.6
113.06010	23.9
117.07027	19.5
119.04961	4.7
119.08589	38.3
121.06488	7.1
121.10156	22.5
123.08065	8.0
123.11707	15.4
124.99971	6.3
127.03917	4.5
128.06219	4.7
129.06998	8.6
131.08582	30.3
133.06519	7.7
133.10141	24.1
134.10530	4.4
135.08051	39.7
135.11713	10.0
137.09590	4.3
143.08530	10.5
145.06412	3.3
145.10103	18.4
146.10342	4.1
147.04430	7.1
147.08023	5.0
147.11670	37.1
149.09651	11.0
149.13287	6.4
155.08582	4.9
157.10115	11.0
159.11670	9.5
161.09647	12.2
161.13225	5.9
163.11168	7.6
165.12730	13.2
171.11656	4.6
175.11194	5.3
177.12811	5.3
181.12091	3.5
183.66551	3.4
184.07341	19.4
185.09546	4.3
185.13322	4.7
193.12216	7.4
206.02594	3.0
209.11778	5.6
217.15840	9.4
219.14119	3.3
227.12732	5.7
229.14369	5.3
259.20605	10.6
267.15961	33.8
269.17401	3.4
273.18567	35.7
275.19971	14.4
285.16980	51.5
291.19583	97.2
292.19937	4.9
301.16769	3.5
317.15979	7.2
333.24097	5.3
347.22141	11.6
349.23657	6.2
365.23154	21.0
428.03064	3.4
557.34674	15.5
558.35181	5.5
575.35858	55.0
701.38489	4.1
755.40063	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	754.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
53.39041	1.5
55.01868	4.8
55.05513	42.1
57.03444	20.2
57.06795	2.2
57.07081	44.7
59.04992	2.2
59.99470	1.8
60.08160	1.5
61.02925	4.9
65.03947	2.8
66.57984	1.3
67.05509	83.6
68.05833	1.6
69.03435	5.6
69.07070	21.3
69.65794	4.7
69.66201	4.5
71.01354	2.8
71.04990	4.8
71.08638	27.1
74.09723	1.9
78.90054	1.5
79.05499	32.6
81.03411	6.7
81.07059	44.3
82.07396	1.9
83.04987	7.6
83.08626	21.3
85.02908	16.8
85.06566	4.4
85.10190	17.5
86.09707	6.3
87.04471	7.1
89.06034	7.5
91.03952	2.4
91.05489	20.1
93.07050	22.7
94.07359	1.8
95.04977	8.3
95.08617	39.3
96.08978	1.3
97.02892	4.0
97.06518	3.5
97.10173	26.8
98.20776	1.6
99.08115	1.7
103.03980	1.5
103.07621	1.8
105.07050	8.9
107.04948	5.3
107.08598	21.0
109.06511	3.3
109.10165	49.5
111.04431	2.1
111.08067	3.3
117.07029	6.5
119.08566	10.6
121.06520	3.4
121.10132	9.4
123.11727	4.6
125.00007	4.0
125.09638	19.7
129.07002	2.2
131.08603	8.0
133.08603	2.5
133.10135	4.8
135.08072	1.9
135.11690	4.8
137.13295	1.7
143.08571	2.1
143.10698	4.7
145.10149	6.9
147.11713	2.7
149.09596	1.8
149.13271	3.2
153.12820	2.0
155.08527	1.9
155.10666	3.6
157.77344	1.5
159.11674	2.6
161.13292	1.9
163.11177	3.6
173.11761	12.3
184.07349	21.3
189.11177	2.1
191.10773	2.1
199.13306	13.7
204.50815	1.6
209.11794	5.8
223.13263	10.3
227.12807	6.9
229.14362	49.4
239.23833	4.4
257.13879	2.1
261.22095	2.7
283.15390	3.7
290.59637	1.9
297.16922	18.5
301.16473	30.8
306.27777	1.6
313.27377	100.0
314.27701	4.4
331.64536	1.4
335.25851	15.9
341.26865	3.8
367.35782	35.5
437.36337	5.6
455.37408	15.6
467.37329	29.3
468.37469	1.7
489.36148	2.1
539.39301	15.3
557.38922	8.6
639.56146	1.8
670.83484	1.7
754.28241	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	754.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01866	3.6
55.05513	33.6
57.03438	15.3
57.07075	32.9
59.04999	2.2
59.20418	1.6
61.02918	2.3
65.03928	2.3
66.84697	1.2
67.05506	46.1
69.03436	3.0
69.07070	16.1
70.22858	3.1
70.23209	2.3
71.01354	2.0
71.04983	4.6
71.08632	22.3
74.09680	1.7
79.05489	18.8
81.03416	4.5
81.07054	33.5
82.07368	1.3
83.04980	4.2
83.08613	18.4
85.02896	17.4
85.06558	3.0
85.10188	13.2
86.09742	1.3
87.04475	6.4
89.06026	2.2
91.05470	11.0
93.07049	12.5
95.04977	3.0
95.08609	26.0
97.02877	3.7
97.06504	2.9
97.10177	25.3
99.08102	1.7
103.04016	1.7
103.07549	1.4
105.07037	7.7
107.04953	3.7
107.08592	12.6
109.10155	39.3
111.08091	1.5
117.07042	3.1
119.08597	6.2
121.06377	1.2
121.10146	4.6
123.11727	2.3
125.09626	21.6
129.07013	1.9
131.08578	2.8
133.10132	4.6
134.10521	1.3
135.08076	1.3
135.11658	2.9
137.09572	1.7
137.13211	1.1
141.06953	1.5
143.08607	1.5
143.10693	5.8
145.10114	3.5
147.11644	2.0
153.12706	1.5
155.10696	2.5
157.10121	1.8
163.11186	5.1
171.11736	1.4
173.09610	2.2
173.11713	9.7
179.14287	1.4
184.07309	2.9
191.10724	2.5
199.13280	13.1
203.85632	1.3
209.11768	5.0
220.18553	1.2
227.12714	10.9
229.14359	43.6
229.16600	2.5
230.14693	1.3
239.23753	5.1
257.24811	2.2
265.14514	1.6
275.19800	1.2
277.21533	1.4
283.15414	3.3
293.20541	1.4
301.16452	29.6
313.27362	100.0
314.27701	4.2
319.17346	2.0
341.26889	2.7
358.45554	1.4
367.35712	5.0
437.36227	5.0
455.37341	18.0
467.37393	20.2
521.38232	1.5
539.39648	14.0
557.39844	4.5
700.46033	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.0
55.01875	4.0
55.05515	21.2
57.03437	8.6
57.07076	3.1
58.70388	2.7
65.03957	3.5
67.02766	2.5
67.05511	76.6
69.07066	15.5
79.05497	100.0
81.03419	10.3
81.07062	73.1
83.04974	13.6
83.08629	7.8
85.06550	4.3
87.83389	2.8
91.05486	91.1
93.07050	97.5
93.07642	5.3
95.04999	16.2
95.08611	44.6
97.02927	3.7
97.06534	4.5
99.08105	4.1
105.07034	91.1
106.69315	2.8
107.04978	7.3
107.08596	38.3
109.06532	4.3
109.10159	8.2
111.08133	3.1
117.07024	23.6
119.08589	63.0
121.10175	17.8
122.10424	3.3
123.08076	5.5
126.20676	2.8
128.06253	3.8
129.07011	27.6
131.08577	23.3
133.10152	40.9
135.11713	10.7
143.08589	19.6
145.10120	27.6
147.11691	60.0
149.13278	11.0
155.08600	3.8
156.09410	4.3
157.10168	10.5
159.11737	16.8
161.13280	32.6
163.14912	4.0
169.10178	6.1
171.11688	32.1
173.13271	10.0
175.14798	16.6
177.12781	3.7
185.13258	8.5
187.14775	3.7
189.12776	10.3
199.14888	7.8
207.13776	27.0
214.48277	3.1
231.21054	5.3
241.19501	25.7
248.54677	3.0
259.20590	49.1
261.21997	3.5
279.15900	16.5
281.17496	74.0
315.23172	10.1
333.24261	51.5
399.46365	3.1
447.32513	8.0
465.33615	7.3
521.36377	3.8
539.37378	70.5
540.37610	6.9
557.38391	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	753.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.9
55.01878	16.0
55.05516	39.7
57.03443	15.9
57.07055	3.1
59.04994	3.9
65.03943	5.8
67.05508	100.0
69.03426	19.6
69.07069	18.1
71.01366	5.2
71.04995	8.9
71.51629	2.7
73.02910	3.8
79.05498	39.8
81.03422	87.1
81.07060	48.8
83.01340	2.5
83.04984	18.1
83.08614	26.2
85.02916	39.1
85.06552	2.7
87.04478	2.6
91.05489	38.1
91.36664	2.5
93.07050	26.0
95.04983	28.6
95.08610	15.4
97.02888	16.8
97.06526	9.3
97.10188	19.9
99.04454	4.9
100.38179	2.0
105.07043	26.0
107.04971	14.2
107.08595	15.8
109.02899	17.2
109.06515	9.6
109.10164	50.8
111.04469	12.4
111.08071	11.4
113.06024	3.2
117.07021	7.6
119.08585	20.6
121.06499	6.0
121.10146	12.6
123.04424	5.1
123.08074	5.9
125.09643	16.3
127.03917	13.5
129.07016	14.2
131.03409	3.5
131.05003	2.2
131.08607	12.9
133.06447	3.9
133.10149	10.6
133.79657	2.1
135.08061	3.8
135.11688	3.4
137.09624	5.2
142.07790	2.8
143.08571	4.6
145.06459	3.0
145.10133	8.8
147.04341	2.3
147.08057	4.5
147.11671	14.3
149.09639	8.7
151.11185	2.3
153.12729	3.6
155.10722	4.8
157.10150	12.0
161.09564	4.2
163.11179	10.1
165.12816	3.7
172.24850	2.4
173.04506	8.1
173.09711	3.2
173.11740	10.0
175.11240	7.9
181.12276	5.7
183.06551	3.9
187.11186	2.6
189.11203	3.2
189.12720	4.5
191.10655	3.2
193.12265	29.0
196.64525	2.1
199.11388	3.7
199.13225	4.9
209.11804	6.1
211.06015	2.9
211.13329	39.3
213.12843	2.4
217.12332	2.6
227.12776	13.9
229.14362	22.7
235.13286	4.5
249.14894	2.7
267.15991	9.3
283.15506	6.5
285.16928	4.0
291.19702	3.7
309.17062	4.7
383.22305	2.3
409.25998	2.7
421.25934	4.8
439.26877	34.4
463.27039	4.9
557.35596	2.3
591.37238	2.8
609.35687	2.9
753.40613	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	752.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01874	13.3
55.05515	13.2
55.66500	1.3
57.03436	3.9
59.42577	1.3
65.03937	3.2
67.05510	30.2
69.07072	18.8
69.14898	6.1
69.15331	6.7
73.78306	1.2
79.05496	39.4
81.03418	9.3
81.07060	36.3
83.04972	10.5
83.08630	5.1
85.06534	2.1
91.05485	44.0
93.07048	36.2
95.01365	5.2
95.04980	12.7
95.08620	22.5
97.02921	1.2
97.06536	28.0
97.10157	3.3
105.04556	1.7
105.07029	48.7
107.04966	11.7
107.08591	13.0
109.06528	3.5
109.10162	4.9
110.13376	1.1
111.08073	1.4
115.05402	1.7
117.07005	9.3
119.08587	29.0
121.06516	2.1
121.10152	4.8
123.04440	1.6
123.08052	3.5
128.06212	1.4
129.06984	7.0
130.07860	1.8
131.08575	11.8
133.10133	22.5
135.08066	3.1
135.11702	4.6
137.09537	1.4
139.07613	1.3
141.07010	1.9
143.08571	4.5
145.10136	11.4
147.08054	1.6
147.11687	17.4
149.09630	4.8
151.11215	2.0
157.10165	2.0
159.11678	7.7
161.09586	1.5
161.13255	6.8
163.11220	2.8
169.10036	1.6
171.11710	9.4
173.13318	2.2
177.12770	3.0
179.14366	5.7
183.11807	1.5
185.95045	1.3
187.11156	1.8
189.12775	2.8
191.14871	1.3
207.13817	7.2
247.20648	1.6
257.19080	2.8
259.20691	2.5
275.20074	50.4
276.20392	2.8
279.15784	3.3
281.17468	31.9
293.21140	4.2
313.55518	1.3
335.61414	1.4
349.23776	18.0
537.36554	1.4
555.36841	100.0
556.37024	5.7
573.37616	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	752.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36148	0.8
53.03934	2.2
55.01874	1.4
55.05515	6.0
57.03440	13.0
57.07080	24.2
67.05173	1.2
67.05511	14.2
69.03430	1.8
69.07077	6.4
69.31892	0.7
69.32185	7.0
71.01364	0.9
71.04990	1.7
71.08633	18.4
79.05499	8.0
81.03421	59.9
81.07065	17.2
83.04982	2.8
83.08626	16.9
85.10193	11.2
89.06009	1.1
91.05478	9.6
93.07058	5.1
94.74622	0.8
95.04980	16.5
95.08031	0.7
95.08611	15.0
97.02891	2.0
97.06526	1.3
97.10161	4.4
98.20682	1.9
99.11697	1.3
101.21587	0.9
103.07567	1.2
105.07026	6.9
107.04973	4.1
107.08604	2.6
109.06516	2.0
109.10159	7.6
111.04455	1.8
111.08068	5.3
113.06000	0.9
119.04891	1.0
119.08588	6.9
121.06498	1.4
121.10146	2.3
123.08089	1.0
123.11713	2.6
126.95630	0.8
129.07028	6.8
131.08589	5.2
133.06519	1.5
133.10136	3.0
137.09523	0.9
137.13269	1.4
142.07770	1.2
142.89316	0.8
145.10074	0.9
146.19301	0.9
147.08109	2.2
147.11664	5.4
149.09619	3.5
157.10153	5.8
165.12836	1.4
175.11198	5.9
193.12257	21.8
193.71588	0.7
207.13748	0.9
211.13422	1.3
235.13351	1.0
239.23753	1.9
249.14836	1.9
257.24789	2.2
267.15936	100.0
268.16293	1.6
301.14389	1.0
309.16928	1.4
313.27371	95.0
313.93033	0.8
314.27731	3.6
316.35999	0.8
333.17395	0.8
505.38910	77.2
506.39285	3.9
547.40479	3.9
648.17798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
57.03440	2.0
59.92527	0.8
61.02934	1.1
65.81031	0.7
67.05507	1.6
69.03427	1.1
69.07067	0.9
70.06609	1.1
71.51228	0.9
73.02922	1.2
79.05518	2.4
80.45938	0.7
81.03428	2.0
81.07056	2.1
85.02913	15.7
87.04475	2.0
91.05502	1.5
93.07061	1.7
95.04977	1.0
95.08638	1.2
97.02903	0.9
97.06548	0.8
97.10231	0.8
105.07055	1.5
107.07387	1.0
109.10221	0.7
113.02383	2.1
118.06546	5.6
120.08109	0.8
121.06496	1.3
130.06558	2.2
131.04939	1.7
131.07312	2.2
132.08142	3.9
133.08890	1.2
139.03934	1.2
143.45399	0.8
144.08107	1.5
146.09679	4.9
158.09645	1.4
160.11201	0.8
176.52342	0.7
200.14349	0.9
202.15999	1.5
228.17648	1.5
249.37575	0.9
256.17059	2.1
276.14902	0.8
324.26941	3.2
340.26462	7.8
368.25864	25.4
369.26343	1.2
386.26932	15.5
404.27942	5.8
430.29446	1.0
435.27844	1.4
442.29428	4.4
460.30704	11.3
461.29190	1.0
472.30853	1.1
498.28345	7.2
516.29553	7.0
528.33368	5.5
534.31049	1.6
546.34589	4.7
572.31921	11.5
590.33289	100.0
591.33557	5.7
734.43732	1.1
752.38513	45.6
753.39117	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	752.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.9
57.03387	1.4
61.02885	0.6
65.89443	0.4
67.05449	1.3
69.03390	1.1
69.07026	1.1
70.06540	0.7
71.21132	1.2
73.02864	0.9
79.05469	1.3
81.03380	0.8
81.06985	1.8
85.02912	16.8
85.03374	0.8
87.04396	1.7
91.03893	0.6
91.05425	1.5
93.07011	1.0
95.08585	0.6
95.39235	0.5
97.02847	1.1
98.50214	0.5
101.14804	0.5
103.05424	0.9
105.06978	0.8
106.06508	0.6
107.07259	1.8
107.08518	0.7
113.02296	2.1
115.64247	0.5
117.05686	0.9
118.06566	5.5
120.08083	1.1
123.04361	0.7
129.06883	0.6
129.25746	0.5
130.06461	2.2
131.04871	0.9
131.07254	1.1
131.08473	0.7
132.08124	3.4
133.08826	1.2
135.11586	0.5
136.57043	0.4
139.03807	0.5
144.08093	2.3
145.08774	0.6
146.09644	4.5
158.09622	1.2
159.10359	0.6
160.11166	0.9
172.11240	0.5
192.95651	0.5
193.12259	0.6
202.15820	1.0
228.17456	1.4
230.15353	0.9
242.19000	0.6
244.17094	0.8
248.08942	0.9
256.16965	1.6
267.15961	0.6
274.17883	0.7
275.13904	0.9
312.26752	1.1
324.26862	4.2
340.26303	9.0
358.27359	1.0
359.49362	0.5
368.25888	26.6
369.26273	1.1
386.26944	15.4
386.31906	0.9
387.27002	0.6
404.27814	3.1
438.26761	0.5
442.29422	3.3
456.27655	0.9
460.30701	10.0
461.30334	1.0
478.31927	1.0
490.31735	0.7
498.28510	8.5
499.29730	0.6
516.29681	5.9
528.33240	4.9
534.31024	1.5
546.34204	4.2
572.32031	8.2
590.33301	100.0
591.33521	6.1
752.38556	44.0
753.38287	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	751.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
54.39470	2.2
55.05513	19.2
57.03420	9.9
57.06830	2.9
57.07086	39.2
61.02916	5.4
65.02818	2.2
67.05512	40.2
69.03410	2.1
69.07069	16.5
69.49976	5.1
69.50373	12.8
71.08644	21.7
73.02903	3.8
79.05504	35.3
81.03425	2.8
81.07065	50.0
82.11697	2.2
83.08608	12.8
85.02908	5.2
85.10202	11.5
87.04486	2.7
91.05492	37.2
93.07060	39.0
95.04964	4.4
95.08606	40.6
97.02879	7.1
97.10158	8.9
98.21566	4.6
105.06408	4.0
105.07046	47.6
107.04964	3.5
107.08611	19.3
109.10159	14.8
111.04400	2.5
117.07027	16.7
119.07822	3.3
119.08605	39.4
121.10152	20.5
123.11693	4.7
128.06245	2.6
129.06972	9.0
131.08597	22.0
133.10146	37.7
135.11722	11.1
143.08569	7.5
145.10143	22.2
147.11696	35.7
149.13275	7.7
155.08543	2.8
157.10117	8.0
159.11737	16.2
161.13264	22.7
163.14882	5.3
171.11734	11.0
173.13287	10.5
175.14839	12.2
177.12811	3.2
185.13232	9.5
187.14859	6.4
189.16324	2.8
197.13271	3.4
199.14909	5.4
231.21045	8.6
239.23630	3.6
241.19511	30.2
259.20618	80.3
275.20233	3.8
277.21683	5.0
301.21625	5.2
313.27386	100.0
333.24280	46.2
349.21701	2.8
367.22592	7.3
557.69507	2.4
571.47260	11.3
587.46460	5.0
589.48425	25.2
590.48315	2.9
655.50647	3.4
679.49060	4.8
697.50476	3.3
715.50519	2.6
733.52380	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	751.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
53.47294	1.9
55.01881	3.9
55.05512	22.1
57.03437	15.4
57.07079	48.4
61.02925	7.6
61.82162	1.8
65.03927	3.9
67.05180	3.2
67.05510	48.4
69.03420	5.5
69.07074	23.2
69.52950	3.9
69.53347	10.5
71.04999	2.3
71.08246	1.9
71.08633	35.8
73.02917	3.4
73.22294	1.9
74.62587	1.9
79.05498	35.2
81.03440	3.3
81.07059	52.9
83.04982	3.8
83.08624	18.7
85.02905	7.3
85.07638	3.4
85.10184	18.9
87.04437	4.8
91.03986	2.0
91.05480	51.0
93.07046	41.1
95.04966	6.5
95.08610	52.3
96.20535	2.2
96.21131	1.9
97.02895	5.5
97.06511	3.0
97.10162	7.8
99.08093	2.8
101.62758	2.2
105.07030	57.0
107.08585	24.3
107.09236	3.3
109.06521	4.4
109.10163	23.5
111.08068	2.4
111.11721	2.0
117.07023	15.7
119.08578	45.8
121.10149	19.8
123.08102	3.1
123.11695	6.9
128.06163	2.3
129.07028	15.0
131.08582	27.4
133.10129	44.2
135.08078	4.0
135.11710	18.5
137.09639	2.4
141.06963	4.2
143.08571	13.7
145.10130	26.3
147.11699	36.4
149.09656	3.1
149.13260	9.7
151.11217	2.9
155.08522	6.9
157.10144	13.7
159.11702	24.4
161.13254	28.5
163.14787	3.2
167.08507	2.8
169.10117	5.5
170.99904	2.3
171.08046	2.3
171.11649	14.5
173.13261	15.6
175.14836	15.3
183.11658	3.5
185.13223	12.9
187.11223	2.8
187.14839	4.6
195.11758	2.5
197.13234	4.1
199.14859	7.1
209.09741	2.0
215.17979	2.8
217.15717	2.3
231.17523	2.9
231.21072	6.9
239.23694	5.0
241.19518	33.7
257.19025	4.4
259.20578	80.7
260.20993	3.3
271.20444	3.7
275.20074	3.1
277.21783	3.4
301.21573	5.5
313.21741	4.7
313.27374	100.0
314.27890	3.1
315.23227	5.3
333.24228	45.8
349.21893	3.3
367.22723	6.5
375.25525	3.4
385.23901	4.7
403.24838	3.9
408.95941	2.6
421.25961	2.5
441.26303	2.3
459.27249	2.7
571.47119	9.3
587.46808	5.0
589.48236	25.3
639.49316	2.9
655.48700	2.5
667.49243	2.9
679.49420	8.1
697.50049	3.7
715.51123	5.6
733.51715	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.7
55.01867	13.0
55.05275	2.7
55.05516	43.4
57.03434	13.2
57.07070	5.8
59.20218	1.9
65.03931	10.1
67.05506	100.0
67.24589	2.5
69.03428	21.1
69.07067	36.5
69.95312	6.7
69.95708	3.3
71.04976	8.7
79.05496	91.3
81.03059	2.3
81.03425	25.2
81.07059	98.8
82.07393	2.2
83.04991	16.9
83.08619	21.8
85.02889	8.8
85.06543	4.9
89.21741	2.1
91.05485	96.0
93.07050	79.6
95.04975	27.6
95.08609	59.5
97.02895	13.2
97.06522	11.3
97.10163	8.7
98.21471	2.4
99.08096	3.9
103.05489	5.6
105.04498	4.1
105.07037	90.0
107.04973	18.8
107.08605	41.6
109.02876	7.6
109.06528	14.0
109.10162	28.0
111.04456	5.3
111.08070	9.2
115.05460	8.5
117.07025	51.7
119.04924	2.3
119.08582	58.3
121.06497	10.2
121.10134	29.4
123.04413	3.1
123.08064	10.2
123.11698	7.7
125.09685	5.7
127.03884	6.1
128.06244	15.1
128.25410	2.6
129.07008	36.4
130.07802	4.0
131.04922	3.5
131.08575	54.6
133.06517	12.0
133.10133	43.0
135.08058	16.6
135.11681	15.4
137.05917	3.6
137.09589	7.5
137.13281	2.7
141.06989	17.3
142.07788	14.5
143.08565	38.4
145.06467	12.2
145.10133	44.6
147.08020	6.7
147.11711	23.0
149.05948	3.2
149.09651	10.6
149.13289	4.3
151.07552	3.8
151.11198	3.4
152.06166	2.9
153.06987	7.2
154.07802	9.6
155.08559	33.6
156.09299	4.8
157.05215	2.2
157.06485	3.6
157.10159	36.4
159.08043	13.1
159.11676	29.8
161.09651	10.4
161.13263	8.9
163.11168	7.1
165.07037	9.1
165.09001	2.0
165.12761	2.7
166.07802	7.7
167.08597	20.7
168.09325	6.6
169.06560	4.4
169.10130	29.5
171.08051	9.2
171.11682	25.8
173.09605	10.2
173.13239	16.8
175.11172	5.2
175.14767	2.9
177.09125	2.5
177.12790	4.6
179.08604	13.2
180.09247	3.4
181.06474	4.5
181.10101	20.8
182.07320	3.4
183.08051	5.6
183.11673	27.9
184.07352	8.5
185.09613	9.2
185.13260	19.5
187.07494	2.7
187.11188	7.5
187.14821	5.8
189.12691	3.0
191.08650	3.9
192.09384	5.3
193.10223	15.2
193.11755	3.4
194.10922	3.4
195.08038	7.2
195.11755	18.9
195.13333	3.4
196.08884	3.2
196.12231	3.2
197.09625	6.5
197.13239	19.6
199.07578	3.4
199.11151	8.2
199.14835	10.2
201.12770	3.5
205.10172	6.7
206.10898	4.1
207.11716	15.3
209.09633	7.2
209.13269	15.1
210.10387	2.2
211.11093	11.3
211.14838	9.4
213.12727	8.3
213.16298	3.8
215.10753	3.3
215.14371	4.4
217.10190	5.2
219.11681	8.9
220.12550	3.1
221.09624	3.4
221.13345	11.2
223.11223	6.0
223.14818	11.3
225.12779	7.1
225.16373	4.6
227.14481	3.4
229.19490	3.7
233.13264	5.9
235.11246	4.8
235.14902	5.2
237.12686	4.1
237.16411	4.9
239.14246	3.9
239.17917	3.6
243.11589	2.5
247.14938	5.1
249.16548	4.2
251.14340	4.3
251.18019	3.9
253.15811	2.6
255.13838	4.5
257.15881	2.7
257.18997	9.6
259.14688	3.8
259.20541	6.1
265.15781	2.6
265.19427	3.3
273.18817	2.9
275.14575	2.7
275.17780	2.9
275.20157	31.4
279.17337	3.3
279.51993	2.4
283.20569	4.0
297.22055	4.7
299.20135	3.7
307.20502	3.2
313.21655	5.9
323.19971	4.9
325.21591	8.5
339.23206	5.9
349.21652	12.3
351.23242	5.9
357.24136	3.9
365.21051	2.6
367.22638	25.9
369.24271	5.3
371.23270	2.7
385.23944	10.5
400.98361	2.4
403.25754	3.0
423.25171	5.3
425.27084	2.3
441.26437	9.8
459.27411	6.9
471.31360	2.3
605.39325	4.0
607.43353	6.3
631.43231	4.3
635.39288	5.1
661.44336	3.1
673.44702	3.4
687.45709	3.6
691.45227	3.9
697.44525	5.3
705.46820	3.1
715.45776	15.7
733.46613	41.5
751.47900	66.3
752.47650	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	751.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.9
55.01882	14.5
55.05518	28.1
57.03440	27.0
65.03953	6.7
67.05511	96.5
69.03441	10.3
69.07076	15.6
71.05009	4.9
79.05502	69.8
81.03422	20.0
81.07058	60.3
83.04995	8.5
83.08620	11.0
85.02924	5.0
85.06541	16.8
91.05489	60.2
93.07053	57.3
95.04985	85.0
95.08617	32.2
97.02880	5.9
97.06523	8.9
97.10178	6.8
105.04528	3.8
105.07042	47.7
107.04973	18.9
107.08605	30.1
109.06525	63.9
109.10168	15.9
111.08098	4.2
113.06029	33.0
115.05404	4.3
117.07005	19.7
119.08593	27.3
121.06512	10.1
121.10154	13.6
123.08073	8.8
125.05953	3.0
125.09621	7.2
127.03941	5.3
128.06239	5.6
129.07045	14.9
131.08592	29.8
133.06566	3.7
133.10156	18.0
135.08072	48.4
135.11734	14.7
143.08522	14.9
145.10146	16.9
146.77408	3.3
147.08049	14.2
147.11700	17.2
149.09663	7.3
149.13214	5.7
157.10138	9.0
159.11679	10.6
161.09654	13.2
161.13254	5.4
163.03828	3.6
163.11247	6.5
169.10135	3.6
171.11765	17.0
173.09567	4.1
173.11761	3.5
173.13258	4.8
173.79604	3.4
175.11198	6.4
176.60690	3.8
177.12830	5.0
185.13223	3.8
189.12733	7.1
195.11755	4.9
199.14821	4.7
207.13831	10.4
217.15913	12.6
229.07028	3.8
229.14285	7.6
230.14587	5.0
255.17529	5.9
273.18539	44.1
275.20288	3.4
279.15964	5.7
281.17480	42.0
291.19556	100.0
295.68793	3.1
347.22247	7.4
365.23343	12.1
383.24280	3.7
553.35217	19.7
571.36322	46.7
572.36591	3.9
751.42267	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	751.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.2
55.01872	10.4
55.05513	47.4
57.03447	15.7
57.07074	2.9
59.04996	3.9
60.58902	2.9
61.02921	4.3
65.03940	8.4
67.05507	83.2
69.03444	21.3
69.07069	36.7
71.04989	6.7
77.03899	2.9
79.05499	100.0
81.03424	42.7
81.07061	82.8
83.04980	18.2
83.08617	28.9
85.02939	16.3
85.06544	5.7
91.05488	90.5
93.07053	86.8
95.01332	3.5
95.04966	47.7
95.08060	4.3
95.08620	48.5
97.02897	12.8
97.06007	2.5
97.06504	14.9
97.10155	22.4
99.04470	5.3
103.05470	5.5
105.04537	3.3
105.07034	61.9
107.04975	17.6
107.08613	38.3
109.02885	9.1
109.06509	10.3
109.10155	22.4
111.04491	3.0
111.08065	6.3
112.86446	2.8
115.05486	6.5
117.07027	27.8
119.08588	47.1
121.06546	9.1
121.10172	18.3
123.04483	3.2
123.08092	33.1
123.11729	8.8
125.09645	16.4
127.03941	7.3
128.06212	6.8
129.06995	34.1
131.08559	28.3
133.06490	6.3
133.10147	30.7
135.08086	8.6
135.11743	8.0
137.09625	6.5
141.06989	8.0
143.08566	21.0
145.06503	9.6
145.10127	29.2
147.08115	15.5
147.11696	29.4
149.09624	5.7
155.08592	9.1
157.10167	12.8
159.08049	4.4
159.11703	14.0
161.09634	6.0
161.13286	8.1
163.11182	10.2
165.09111	4.7
167.08652	5.0
169.10175	7.5
169.12280	6.2
171.07990	4.1
171.11662	24.8
173.04547	5.5
173.09520	3.6
173.13260	5.5
175.11180	5.4
181.10081	6.5
183.11703	7.6
185.09605	5.1
187.13261	6.4
189.11230	9.5
189.12837	9.3
191.08557	4.5
193.12250	10.4
195.11751	7.2
195.13771	3.3
197.13306	3.4
201.12733	3.4
207.12013	4.8
207.13760	21.9
207.66463	3.2
209.13269	4.5
211.13272	6.1
213.16602	3.1
223.13293	10.1
225.12941	3.4
227.12830	16.8
264.19699	2.6
267.15927	9.2
273.18512	27.2
275.20059	9.9
281.17484	56.3
287.16412	3.2
290.50461	3.3
291.19537	64.8
347.22256	6.1
349.23935	4.1
365.23306	19.9
383.23666	3.3
451.26617	4.2
473.29114	16.6
491.29926	5.8
553.35107	4.6
571.36340	52.6
572.36469	2.9
715.45081	5.4
733.46216	5.9
751.48883	14.1
782.22937	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	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
53.71741	2.5
55.01870	8.7
55.05513	47.4
57.03446	15.9
57.07058	2.9
60.26823	2.5
61.02941	3.6
63.85814	2.3
65.03945	5.6
65.86043	2.3
67.05184	3.9
67.05511	55.3
69.03429	11.5
69.07072	19.2
70.06602	2.8
70.22753	7.9
70.23098	3.8
71.04993	10.1
73.61253	2.2
79.05499	61.1
81.03424	79.0
81.07066	58.2
83.04997	12.8
83.08622	28.8
85.02890	7.3
85.06551	5.3
91.05485	92.7
93.07053	51.6
95.04969	41.5
95.08616	36.5
97.02885	6.5
97.06535	11.2
97.10182	12.7
99.04449	2.7
101.13286	2.3
103.03885	2.5
103.05422	4.0
105.07041	62.6
107.04965	13.0
107.08602	27.3
109.02897	2.7
109.06557	14.6
109.10162	13.5
111.04481	3.7
111.08095	8.7
115.05456	11.5
116.04898	2.3
117.07021	41.4
119.04959	3.0
119.08590	47.3
121.06510	11.1
121.10146	20.2
123.04463	2.9
123.08094	8.7
123.11736	3.3
125.09644	8.9
127.03914	4.9
128.06212	23.5
129.07011	41.9
130.07813	9.2
131.08575	74.1
133.06508	10.6
133.10135	22.8
135.08052	11.5
135.11696	6.1
137.09583	3.4
139.03902	4.8
139.11215	2.8
141.06989	13.5
142.07750	7.4
143.07512	4.6
143.08574	75.0
145.06494	4.1
145.10124	65.2
146.10506	2.9
147.04408	5.0
147.08052	13.9
147.11705	17.7
149.09645	12.9
149.13245	3.2
150.22066	2.3
151.11223	3.0
154.07742	3.0
155.08548	8.5
157.10141	25.1
159.08086	7.9
159.11707	19.1
160.98364	2.8
161.09605	10.3
163.03911	2.9
163.11209	18.5
165.12778	3.5
167.08609	5.9
169.10094	12.9
171.08066	5.3
171.11671	13.3
173.05948	3.0
173.09654	7.5
173.13239	4.3
175.11205	10.3
177.12759	7.8
179.08554	3.5
180.09352	4.1
181.10149	15.5
183.11716	10.5
185.09645	4.1
185.13219	6.3
187.11047	3.1
189.11218	6.0
191.10628	3.1
193.10512	3.9
193.12257	21.8
195.11691	19.7
199.11273	3.9
201.12782	4.2
205.12209	3.4
209.13223	2.7
211.13315	8.9
223.13225	3.0
227.12755	7.1
227.17946	5.6
229.14330	3.1
231.13828	3.0
237.16492	17.7
245.18974	4.7
249.14984	6.2
255.17476	14.9
267.15930	100.0
269.17621	3.1
273.18552	43.9
275.20023	4.9
291.19534	4.2
295.20392	5.2
329.21106	7.8
347.22202	26.4
402.74933	3.0
429.27808	4.2
447.28961	8.7
465.29831	10.7
483.31140	7.7
521.32581	7.8
539.33813	91.1
540.33929	6.7
557.34827	16.0
571.36633	14.2
589.37006	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	749.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
55.01860	10.1
55.05513	39.3
57.03440	13.9
57.07077	63.0
61.02909	2.8
65.03938	7.0
67.05508	72.1
69.03435	27.6
69.07070	32.9
69.75465	8.4
69.75872	4.1
71.01368	3.2
71.04977	11.0
71.08630	40.1
73.02930	2.8
79.05077	4.1
79.05498	63.1
79.75766	2.7
81.03422	51.6
81.07058	100.0
83.04978	16.9
83.08624	24.1
85.02917	15.0
85.06555	4.4
85.10196	16.9
87.04462	3.7
91.05487	62.9
93.07046	58.4
95.04974	16.0
95.08609	80.3
97.02881	22.5
97.06519	10.0
97.10165	9.7
98.20848	5.4
99.04432	7.2
99.08070	4.2
103.03896	3.1
103.05482	4.4
105.07028	51.0
107.04954	11.7
107.08603	37.3
109.02868	16.0
109.06508	9.7
109.10162	33.0
111.04491	3.6
111.08084	5.2
111.11684	2.8
114.70695	2.3
115.05431	5.2
117.06212	3.6
117.07010	30.7
119.08582	39.7
121.06499	6.4
121.10154	19.3
123.08070	7.1
123.11705	10.9
125.09615	4.8
127.03909	14.5
128.06174	4.3
129.05472	5.3
129.07022	17.2
131.08582	38.6
133.06497	5.8
133.10132	39.7
135.08055	9.2
135.11694	13.2
137.09628	4.5
137.13251	4.1
141.06963	5.1
141.72392	2.4
143.08588	15.5
145.04956	2.9
145.06441	5.3
145.10132	30.5
147.08026	7.0
147.11693	21.2
149.09604	12.2
149.13237	8.4
151.11195	5.8
155.08557	7.8
157.06447	2.9
157.10152	12.4
159.08089	5.7
159.11714	27.2
161.09633	3.4
161.13217	6.8
163.11212	7.6
165.12759	3.0
169.10120	9.7
171.11732	13.1
173.04482	17.3
173.09552	4.8
173.13293	13.8
175.11162	6.5
175.14885	4.2
176.25224	2.4
177.12776	5.0
181.10201	3.8
183.11670	8.4
185.13235	5.3
187.11165	3.1
187.14925	3.5
189.12808	4.3
191.10506	2.7
195.13695	2.9
197.13255	5.3
199.14771	3.6
201.12761	2.9
201.16476	2.4
209.12904	2.2
211.11215	3.9
215.17880	2.8
225.70689	2.5
229.19560	4.1
239.17984	6.7
239.23656	5.3
241.12248	3.1
247.20563	10.3
257.19009	28.8
259.20639	3.1
275.20059	76.4
276.20224	2.9
293.21078	8.5
299.20096	5.1
299.69025	2.7
301.21539	3.2
311.25867	5.5
313.27365	75.0
331.22568	5.5
333.24130	3.2
337.21561	4.1
341.20972	5.3
349.23770	18.5
355.22861	3.7
365.21060	5.1
383.22070	4.4
391.24670	3.5
401.23093	3.9
419.24133	8.9
493.27948	6.7
507.40067	7.7
514.88068	2.7
559.46735	3.1
587.46637	69.1
588.46393	4.8
629.47418	6.8
637.47571	8.4
651.44305	5.1
731.50604	5.7
749.52478	17.8
750.51941	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	749.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.4
55.01857	7.9
55.05273	3.7
55.05517	47.0
57.03442	22.5
57.07080	44.8
61.02938	9.9
65.03933	7.0
65.31551	2.1
67.05510	87.5
69.03440	22.5
69.07078	61.6
69.20193	21.0
71.01324	3.1
71.04990	8.5
71.08636	28.9
73.02909	2.9
77.03943	2.9
79.05500	76.4
81.02998	2.5
81.03432	37.0
81.07065	100.0
83.04984	10.3
83.08630	32.7
85.02911	13.4
85.06553	6.7
85.10184	17.6
87.04462	3.7
91.03982	2.5
91.04911	2.4
91.05489	71.8
93.07056	70.4
95.04990	10.9
95.08618	72.7
97.02901	16.6
97.06553	11.5
97.10167	18.4
98.90279	1.9
98.98460	4.1
99.04478	3.0
99.08097	3.5
101.02404	2.2
101.07128	2.2
103.05443	3.0
105.04543	4.0
105.07039	67.0
107.04952	7.7
107.08612	41.9
109.02861	11.8
109.06518	8.6
109.10164	33.4
111.04433	3.2
111.08075	6.8
111.11716	4.8
115.05466	6.1
117.07043	24.1
119.08594	50.3
121.06520	6.8
121.10162	32.9
123.08072	6.9
123.11698	10.7
125.09629	5.8
127.03922	16.8
128.06305	4.4
129.05482	3.5
129.07025	15.5
130.07791	2.8
131.08577	40.4
133.06476	4.2
133.10135	42.2
135.08061	8.9
135.11716	22.6
137.09663	5.3
137.13263	2.5
139.11201	3.1
141.07004	5.8
142.07837	3.5
143.08589	17.7
145.06468	3.1
145.10132	34.2
147.08038	4.7
147.11723	31.0
149.09653	8.1
149.13297	9.9
151.11172	5.2
155.08569	9.1
156.09386	2.3
157.10149	14.7
159.08031	4.4
159.11717	26.5
161.09659	2.1
161.13271	19.6
163.11240	6.3
163.14809	3.4
169.10156	8.2
171.08037	2.6
171.11688	18.8
173.04497	5.1
173.09535	2.1
173.13235	17.9
175.11256	5.4
175.14793	8.1
175.16296	2.0
177.12753	5.9
179.14328	3.6
183.11705	9.4
185.09660	2.3
185.13257	10.0
187.11153	3.8
187.14890	3.6
189.12691	2.6
191.14278	3.6
195.11755	4.0
195.13686	2.4
197.09642	3.1
197.13277	6.0
199.11151	3.6
199.14833	5.8
201.12662	3.1
209.13179	2.3
211.14886	2.8
213.12814	3.2
213.16406	4.0
215.17935	3.8
219.21153	3.9
221.22618	2.5
227.12730	2.7
229.19542	5.6
231.21091	4.1
237.22023	3.5
239.17903	8.1
239.23724	5.9
241.10756	3.4
241.19580	17.8
247.20613	4.0
257.19040	31.0
257.24783	3.5
259.20584	44.1
273.18448	3.4
275.20087	64.2
277.21637	4.5
293.21140	5.6
295.20535	2.6
299.19974	3.3
301.21603	3.3
311.20193	2.9
311.25821	53.9
313.21771	4.2
313.27374	53.2
315.23221	3.6
331.22687	2.8
333.24310	23.4
335.26151	2.4
349.23837	13.4
351.25458	2.5
355.22815	2.7
365.21118	2.8
367.22543	3.4
383.22290	4.4
401.23120	4.8
410.95010	2.4
419.24332	3.2
493.27875	6.0
507.40402	6.6
569.45428	8.9
585.44836	3.6
587.46759	74.3
605.47473	4.2
629.47882	3.3
637.47650	6.9
651.44507	2.4
677.47760	5.8
682.58771	2.3
695.48657	2.6
713.49261	3.6
731.50513	7.2
749.52423	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	749.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	18.0
55.01865	18.7
55.05518	27.4
57.03442	18.8
61.02921	4.1
63.44073	3.1
65.03941	5.8
67.05508	100.0
69.03437	20.5
69.07069	19.9
69.38535	21.0
71.01342	7.6
71.04983	7.9
73.02884	3.8
75.21659	3.0
79.05493	85.6
80.41492	2.8
81.03419	47.8
81.07060	85.1
83.04991	29.1
83.08613	9.8
85.02882	11.1
85.06522	5.9
91.05482	83.7
93.06483	5.3
93.07047	81.1
95.01321	8.8
95.04974	54.0
95.08607	46.4
97.02864	15.5
97.06535	16.7
97.10142	4.2
99.04461	6.6
99.08095	4.6
105.04488	5.0
105.07037	60.5
107.04291	5.2
107.04953	52.1
107.08597	33.9
109.02869	8.3
109.06515	21.3
109.10160	24.3
109.79800	2.7
111.04429	12.8
111.08074	9.3
112.05151	3.2
113.06017	4.7
115.03894	3.7
115.05434	7.9
117.07024	30.2
119.04937	8.6
119.08584	36.7
121.06485	14.2
121.10120	10.6
122.07264	4.5
123.04380	8.3
123.08054	14.1
125.06015	4.5
125.09642	4.0
127.03868	4.9
128.06201	12.5
129.05521	4.0
129.07027	28.6
131.08591	29.9
133.06514	14.8
133.10136	20.1
135.08041	15.1
135.11688	18.6
137.09587	5.2
141.06989	4.1
143.08566	17.2
145.06464	16.9
145.10117	20.3
147.08051	18.9
147.11708	15.9
149.09554	4.3
149.13245	6.6
151.07538	6.0
153.06993	2.9
155.08559	5.6
157.10121	6.9
159.08044	7.5
159.11639	16.1
161.05997	3.7
161.09598	12.2
161.13272	10.4
163.11165	8.8
167.08557	5.2
169.10129	10.7
171.11705	26.9
173.04498	7.1
173.09525	6.2
173.11842	4.6
173.13237	3.6
177.12752	9.9
179.14377	6.3
183.11589	3.9
184.07344	3.8
185.13251	9.9
187.11153	14.1
189.12837	4.6
197.13158	5.0
199.10991	3.3
205.12230	7.0
207.11981	4.0
207.13759	19.1
213.12787	3.2
215.14351	5.7
223.13213	5.7
229.14366	11.7
231.13785	4.7
233.15286	8.3
241.14243	3.5
249.14865	8.3
261.14908	4.8
269.15402	3.6
273.18457	10.2
275.75723	2.9
279.15997	21.3
281.17468	37.1
289.17987	12.3
290.18713	3.3
291.19485	11.0
307.19211	3.9
323.18423	14.2
335.18524	5.6
347.88947	2.9
363.21887	4.0
368.79684	3.2
381.22501	8.2
425.21484	6.1
455.25409	3.1
529.31622	45.1
541.31628	10.0
553.34192	4.1
569.35187	6.5
587.35883	8.2
636.65387	3.5
731.39703	4.9
749.40540	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.92373	0.4
55.01866	0.6
55.05518	2.7
56.79121	0.4
57.03432	1.5
61.02932	3.6
67.05506	5.2
69.03425	3.1
69.07078	1.9
71.04991	0.9
71.51056	0.4
73.02930	3.1
74.96762	0.4
77.33175	0.4
79.05499	6.0
80.56911	0.4
81.03435	2.0
81.07059	5.9
83.08624	1.7
85.02907	3.9
86.09673	1.0
89.06013	0.8
91.03974	2.9
91.05486	5.3
93.07053	8.0
93.07639	0.6
95.04994	1.1
95.08612	3.6
97.02911	3.5
97.06546	1.2
97.10166	0.5
99.04469	0.8
101.02396	1.5
103.03992	0.5
105.07047	3.6
107.08599	3.3
109.02893	1.0
109.10178	1.4
110.46876	0.4
111.08079	0.6
117.07055	1.4
119.08609	2.5
119.97995	0.4
121.10143	2.6
125.00024	0.6
127.03902	1.0
129.07016	0.5
131.08546	2.0
133.10150	2.2
135.11740	1.4
143.08583	0.7
145.10110	0.8
147.11717	1.8
149.09628	0.6
149.13220	2.0
159.11772	1.6
161.13332	0.6
162.59843	0.4
171.11713	0.8
177.12801	0.5
181.10265	0.6
184.07341	2.9
185.04269	1.0
185.13318	0.5
195.13937	0.6
235.13062	1.0
241.06548	0.4
243.08522	2.7
301.09027	1.3
373.11255	0.7
443.18933	0.5
453.21021	9.1
522.67902	0.4
525.23163	1.7
535.28894	5.5
553.26172	0.4
567.40521	1.9
585.41492	0.8
729.43188	0.6
747.42932	100.0
748.43073	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01864	0.8
55.05509	2.8
57.03438	2.2
57.54626	0.4
61.02925	6.2
61.87862	0.4
67.05503	9.0
68.62152	0.4
69.03436	3.4
69.07066	2.9
71.01348	0.5
71.04985	0.7
73.02919	5.4
75.93805	0.4
79.05492	6.4
81.03423	2.9
81.07062	7.9
83.04975	0.5
83.08616	1.3
85.02906	6.5
86.09705	1.7
91.03966	2.7
91.04491	0.4
91.05484	4.5
93.07040	7.0
95.04984	0.7
95.08609	6.3
96.08961	0.4
97.02891	6.0
97.06537	0.6
98.21561	0.7
99.04464	1.0
101.02380	1.7
103.51664	0.4
104.40015	0.4
105.07023	2.7
107.04938	0.5
107.08584	3.8
109.02890	0.9
109.10156	1.3
117.07037	1.4
119.08561	2.3
121.06566	0.5
121.10128	2.8
125.00011	0.9
125.09679	0.7
127.03941	1.2
129.07051	0.9
131.08592	1.7
133.08565	0.6
133.10161	1.5
135.11653	2.8
145.10110	2.0
147.11699	1.0
149.13319	0.7
157.10149	0.6
159.11674	0.7
163.11237	2.0
172.32942	0.4
173.13203	0.4
184.07323	4.5
193.12419	0.6
197.13300	0.5
217.99861	0.4
227.12837	0.8
228.95406	0.8
243.08406	2.2
249.10997	11.4
303.23273	0.6
305.13684	1.2
336.26318	0.6
369.11978	0.5
467.18893	4.5
511.18176	0.6
519.29340	8.5
546.39325	0.5
548.39801	0.8
583.35315	0.6
583.43915	3.0
745.41241	100.0
746.41577	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	747.3776
Annotation	Pandicine
Peak:m/z	Relative Intensity
52.13422	0.5
53.03940	1.1
54.16448	0.4
55.01878	0.9
55.05508	1.2
57.03433	1.7
59.04992	0.5
61.02928	4.5
67.05515	4.0
69.03430	3.5
69.07069	1.3
70.02573	2.0
70.06599	0.8
71.05000	1.8
73.02913	3.4
79.05505	3.8
81.03423	6.1
81.07058	4.8
83.08627	1.8
85.02911	5.1
85.06567	0.5
87.04469	0.6
90.34338	0.5
91.03973	2.1
91.05495	4.4
93.07045	4.5
95.04990	2.6
95.08611	1.9
97.02901	4.1
97.06542	1.4
97.10178	0.7
99.04408	1.0
101.02393	1.8
103.03985	0.5
105.07030	3.0
107.04983	0.9
107.08607	2.3
109.02891	1.5
109.06548	0.9
109.10177	1.3
110.07162	0.5
111.04490	0.6
111.08112	0.8
115.05500	0.4
117.07030	0.6
119.08591	1.6
121.06508	1.1
121.10145	4.2
123.04443	2.0
123.08136	0.5
127.03944	1.5
129.07037	1.9
131.05008	0.4
131.08588	2.1
133.10155	2.0
137.06046	1.3
139.03862	0.5
139.11214	1.1
147.04416	0.9
147.08131	0.4
147.11732	1.5
149.09645	2.8
153.01900	0.5
157.10161	1.5
161.06061	1.0
163.03848	1.0
165.12772	0.5
167.07095	1.2
175.03954	0.7
175.11278	1.3
177.05556	0.5
185.04381	0.6
189.05548	0.7
193.12285	2.6
199.07593	0.6
211.13243	0.8
225.14836	0.6
243.08429	2.6
267.16058	1.6
269.13736	1.0
283.15219	4.3
339.17831	1.0
364.09924	0.4
440.11032	0.4
443.12955	0.7
443.18829	5.4
469.20520	2.6
487.21478	6.9
501.23090	13.1
703.35278	2.7
729.36127	3.0
747.37769	100.0
748.38007	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	744.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
54.64317	1.1
55.05517	17.5
57.03437	12.3
57.07062	4.3
59.05001	1.5
61.02911	4.7
67.05507	58.8
69.03410	2.8
69.06734	1.8
69.07074	25.2
71.04993	3.4
71.08637	1.3
71.51354	1.4
71.59987	1.5
74.09716	1.3
79.05493	23.2
81.03414	1.9
81.07059	100.0
82.07372	1.6
83.04997	7.7
83.08620	12.0
85.02901	2.9
85.06541	7.0
86.09673	2.3
89.06023	1.5
91.03971	1.6
91.05482	26.3
93.07047	19.4
95.04970	2.8
95.08611	47.8
97.02895	1.8
97.06536	6.8
97.10174	6.8
99.08086	4.5
105.07033	30.3
107.04970	2.1
107.08579	15.2
109.06520	4.2
109.10168	13.0
111.08033	1.6
117.07030	1.4
118.06538	4.6
119.08571	27.5
121.10149	22.8
123.08069	3.9
123.11707	26.6
124.12112	1.5
124.99982	1.4
125.43634	1.5
127.07537	1.9
131.08592	2.8
133.10121	8.0
135.11691	5.0
137.13260	3.4
147.11697	56.1
157.10100	3.2
161.13206	2.5
163.14799	2.2
165.12762	21.4
175.11162	1.6
175.14806	2.8
183.13782	3.5
184.07364	7.2
189.16310	1.5
193.12251	3.1
211.13170	1.7
229.14363	5.0
230.15373	9.5
245.22632	4.1
263.23688	7.4
267.15933	75.5
285.16959	84.4
286.17172	2.2
322.20285	1.8
335.26093	1.6
337.27377	83.6
338.27448	2.9
473.36490	1.5
480.71027	1.5
529.38599	2.6
547.39972	72.8
548.40411	3.6
582.41449	9.9
744.45642	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.20873	0.6
55.01880	0.9
55.05513	2.3
57.03438	2.4
61.02938	5.0
65.03962	0.8
67.05507	4.8
69.03440	3.8
69.07076	1.9
69.80756	4.0
70.06606	1.1
71.04994	1.6
72.78935	0.6
73.02920	3.4
79.05502	6.2
81.03433	5.9
81.07064	5.5
83.05006	1.6
83.08638	1.8
85.02904	6.8
85.06538	0.9
86.12099	0.6
91.03968	3.3
91.05489	4.8
93.07055	5.8
95.04993	3.0
95.08629	3.1
97.02903	6.3
97.06538	1.2
99.04499	1.7
101.02383	1.7
105.04537	0.7
105.07036	3.3
107.04987	2.0
107.08596	3.5
108.51976	0.6
109.02900	1.0
109.06532	1.5
109.10194	2.7
111.04474	1.1
111.08141	1.1
117.07078	2.1
119.08629	3.0
121.06512	1.8
121.10162	3.7
123.04470	1.8
125.09680	0.7
127.03948	2.4
129.07031	1.1
131.08575	1.7
133.10190	1.6
135.04387	0.8
135.11705	3.3
137.06042	1.6
137.09660	0.8
139.03958	1.0
145.06509	0.9
145.10162	2.5
147.04454	1.3
147.11726	1.9
149.09677	2.1
157.10143	0.8
161.06042	0.8
163.11154	3.9
167.07083	1.2
191.73221	0.7
193.12183	1.6
227.12939	2.5
243.08624	3.0
249.11005	4.5
267.12241	0.8
267.15967	1.2
283.15356	3.2
305.13718	1.3
339.17776	0.7
356.33951	0.8
371.11676	0.7
441.17459	1.5
451.19131	1.0
467.18945	9.3
469.20663	1.8
485.19910	5.3
501.23181	12.1
641.31903	1.5
655.27332	0.9
677.31104	2.6
695.32275	7.1
713.33636	1.4
727.35193	15.8
745.36230	100.0
746.36493	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	744.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05521	15.3
56.26330	0.9
57.03442	7.1
57.07087	1.9
59.04999	1.9
61.02922	3.9
61.83953	1.0
63.11989	0.9
65.03942	3.4
67.05512	90.8
69.03426	1.8
69.07072	14.9
69.76484	6.4
71.04997	16.6
71.43298	1.0
79.05503	32.0
81.03420	4.7
81.07063	44.9
82.07367	1.5
83.04982	4.3
83.08612	8.6
85.02911	3.2
85.06544	2.8
86.09709	1.2
91.05490	24.3
92.05809	1.1
93.07053	39.1
95.04959	3.9
95.08618	30.4
96.56683	1.0
97.02912	2.0
97.06541	5.3
97.10184	2.4
99.08104	1.6
105.04484	1.7
105.07041	11.7
107.08603	18.3
109.10165	59.5
110.10532	1.4
111.08099	3.7
116.60679	1.1
117.07037	4.6
119.08592	17.7
120.08887	1.2
121.10161	13.4
123.08159	1.3
123.11697	3.1
125.09647	2.0
131.08569	8.1
133.10149	7.4
135.11713	12.0
137.09630	9.3
143.08441	1.0
145.10147	6.3
147.11711	5.4
149.13239	4.3
155.10706	4.1
157.10120	2.5
159.11700	4.1
161.13234	2.8
163.11183	2.3
169.12274	1.8
173.11746	5.4
173.13239	2.1
175.14822	1.6
181.12230	1.5
184.07361	3.6
187.14769	1.4
193.12326	1.5
211.13303	3.5
213.14825	1.5
229.14377	1.5
243.15935	1.5
243.21150	1.4
255.15988	3.9
261.22101	3.5
284.28357	1.1
285.17010	5.2
287.18527	17.5
317.24841	1.3
335.25818	27.3
336.26035	2.6
337.27274	4.5
397.31003	1.2
471.34558	1.5
489.35797	100.0
490.35947	5.6
503.37228	3.7
515.37366	10.9
546.38879	1.4
547.40009	81.5
548.40338	4.9
744.45905	5.6
777.61426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.5
55.01885	2.8
55.05515	25.1
55.13335	1.1
57.03438	8.7
57.07079	13.1
61.02932	1.4
65.03966	1.3
67.05510	27.6
69.03425	2.0
69.07074	28.0
69.43232	5.4
69.43642	2.4
71.05003	2.5
71.08643	7.0
73.02942	1.3
73.06576	1.4
74.64385	1.0
77.14758	0.9
77.61631	1.1
79.05500	26.9
81.03416	3.1
81.06588	1.9
81.07064	33.7
83.04994	3.4
83.08621	22.2
85.10185	4.6
86.09718	1.8
89.06035	3.0
91.05491	11.0
93.07049	40.8
95.04997	6.7
95.08616	50.2
97.02899	4.1
97.06525	5.5
97.10172	11.3
98.21436	2.5
99.04460	5.3
99.08091	1.5
99.11749	1.6
102.57907	1.1
105.07027	6.9
107.04967	8.5
107.08600	30.7
109.06506	2.9
109.10161	8.6
111.08095	2.8
111.11696	3.3
117.07027	9.1
118.04126	1.1
119.08600	8.8
119.09390	1.5
121.04144	1.0
121.06546	5.2
121.09327	1.6
121.10146	18.4
123.11723	2.1
125.06004	2.2
130.07805	1.8
131.08475	1.1
133.08678	1.2
133.10141	3.2
135.08090	2.2
135.11702	52.3
139.07538	1.8
139.11086	1.9
145.09055	1.9
145.10136	25.6
149.13257	3.1
153.12794	1.4
163.11194	54.6
163.14780	1.6
164.11484	1.4
181.12245	8.8
209.11659	1.8
220.95184	1.0
227.12804	68.4
228.13232	1.4
283.15414	95.5
284.15646	1.9
285.17026	1.1
339.28961	97.2
340.29300	3.4
386.76660	1.0
547.40009	100.0
548.40570	5.1
698.50360	1.3
744.52478	1.2
747.76123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01864	2.9
55.05513	23.1
57.03434	8.9
57.07075	12.0
61.02924	1.4
65.03936	1.4
67.05507	30.7
68.86940	0.8
69.07070	31.6
71.04984	3.5
71.08634	7.6
71.51406	1.0
71.51760	1.1
73.02923	1.6
73.06527	0.8
79.05495	25.6
81.03399	2.0
81.06590	1.9
81.07056	32.4
83.04979	3.1
83.08162	1.5
83.08624	24.0
85.02888	1.2
85.06547	1.2
85.07652	1.3
85.10177	3.9
86.09699	1.1
88.35668	0.9
89.06011	4.0
89.54044	0.9
91.05473	9.6
93.07045	36.8
95.04963	7.1
95.08609	49.9
95.79592	0.9
97.02884	3.5
97.06527	6.4
97.10167	10.4
99.04440	4.0
105.07030	7.6
106.95343	0.9
107.04969	7.1
107.08596	31.4
109.06493	2.6
109.10155	9.1
110.77242	0.9
111.04453	1.7
111.08047	2.7
111.11708	3.4
117.07018	8.4
117.09131	1.0
119.08588	12.0
121.06548	5.5
121.10145	19.9
123.11702	2.5
125.06066	2.0
130.07739	2.7
133.10081	2.1
135.08047	1.9
135.11696	54.0
139.07501	1.4
139.11189	1.4
145.10120	26.4
148.60800	1.1
149.13237	3.2
153.12709	1.6
155.08519	1.1
163.11182	59.8
165.16385	0.9
181.12231	10.1
184.07385	1.1
209.11667	1.5
211.92726	0.9
227.12791	73.8
236.02034	0.9
247.24469	1.1
265.25229	1.8
283.15405	99.4
283.99329	1.0
284.15952	1.9
337.27078	1.3
339.28952	100.0
340.29166	2.3
547.39948	94.2
548.40240	6.6
650.62817	1.0
661.36841	1.3
766.21906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.6
55.01878	12.9
55.05516	30.1
57.03441	24.8
57.07060	2.6
59.04993	2.7
59.91568	2.1
60.08161	7.5
61.02913	5.3
61.08264	2.5
65.03928	3.3
67.05507	86.9
67.62919	2.3
69.03427	7.1
69.07073	40.7
70.06588	3.1
70.56603	7.2
71.01347	4.6
71.04988	8.4
71.07371	5.3
79.05497	84.1
80.17672	2.2
81.03419	19.1
81.07061	68.3
83.04974	18.2
83.08613	14.5
85.02901	5.5
85.06536	6.7
86.09716	35.5
91.05488	51.2
93.07049	89.7
94.65508	2.5
95.04967	16.8
95.08613	27.7
97.02895	7.6
97.06542	26.7
97.10169	24.6
98.98448	5.0
99.08108	4.5
103.05487	4.1
104.10730	2.7
105.07033	41.8
107.04953	10.6
107.08599	60.5
109.02885	3.2
109.06521	6.8
109.10158	15.8
111.08062	6.8
111.11753	3.0
116.85972	2.5
117.07005	18.3
119.08581	27.1
121.06496	8.7
121.10142	19.8
123.08060	2.9
125.00028	19.8
125.09601	10.5
129.07013	9.1
130.07776	3.1
131.08569	17.7
133.06523	3.6
133.10124	23.5
135.08107	4.0
135.11700	63.0
137.09595	6.6
143.08540	7.2
145.10143	24.5
147.07971	4.1
147.11703	12.9
149.09622	15.1
149.13287	8.3
157.10158	5.8
159.11734	11.4
161.13268	8.0
163.11140	15.8
165.09073	2.8
169.10132	3.3
171.11688	5.4
173.04462	3.5
173.13293	6.3
177.12764	4.5
179.14200	3.4
181.12267	16.1
184.07346	100.0
189.11308	6.1
199.13310	5.3
227.12807	16.4
233.15201	2.9
255.15942	92.9
256.16241	4.3
257.19019	11.2
269.17474	12.5
275.20059	41.2
293.20984	5.6
349.23700	21.6
409.25708	5.0
425.25165	9.8
435.27332	22.0
449.28998	79.6
450.29285	2.9
529.35333	55.5
530.35150	3.6
547.35938	5.3
726.43787	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01872	2.7
55.05517	16.7
57.03446	12.8
57.07074	1.4
58.44923	1.0
61.02919	4.5
62.88619	1.1
65.03936	1.8
67.05513	44.0
69.03432	4.0
69.07072	12.2
70.63291	2.5
70.63647	2.6
71.04985	6.0
79.05066	2.4
79.05502	33.3
81.03429	45.4
81.07066	45.9
82.07412	1.5
83.04980	10.9
83.08627	22.2
84.66868	1.3
85.02913	14.4
85.06549	2.3
91.05490	29.1
93.07056	32.5
95.04983	20.3
95.08614	28.3
97.02911	3.1
97.06547	4.3
97.10190	4.0
98.69339	1.1
99.08092	1.5
105.07037	22.2
107.04955	4.6
107.08607	19.3
109.06535	4.8
109.09520	1.6
109.10175	10.7
110.10514	1.5
111.04410	1.7
111.08088	6.9
113.06042	2.1
115.05463	1.9
117.07024	4.1
119.08591	19.6
119.09381	2.0
121.06496	1.4
121.10167	15.8
123.08099	3.9
123.11713	2.4
129.07024	9.6
131.08580	10.6
133.06485	1.7
133.10156	13.4
135.11697	8.4
137.09613	2.0
142.49805	1.2
145.10126	7.2
145.35889	1.4
147.08121	1.7
147.11707	11.5
149.09631	3.8
149.13261	3.2
151.15068	1.2
157.10135	10.3
159.11710	2.6
161.13255	2.2
163.11211	3.6
163.14923	1.5
165.12819	2.2
169.10364	1.2
173.13214	1.3
175.11186	11.0
175.14865	2.4
183.91776	1.2
184.07368	2.8
193.10448	1.9
193.12253	29.6
194.95695	1.2
210.67114	1.1
211.13300	45.8
227.12872	2.4
228.12988	2.3
243.21242	2.5
250.14456	1.7
261.22150	8.6
267.15961	9.6
283.15384	2.3
284.15820	1.8
285.16992	46.5
296.86496	1.4
335.25815	57.9
336.26181	5.3
435.32672	1.7
527.37195	7.7
545.38403	100.0
546.38702	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01865	4.2
55.05511	25.4
57.03437	15.4
61.02913	4.1
65.03934	3.5
67.05508	72.2
69.03416	5.0
69.07063	18.8
69.51485	9.7
71.04979	5.4
73.02907	2.4
76.88101	1.5
77.03912	1.6
79.05492	55.9
81.03419	54.0
81.07057	74.0
83.04993	14.7
83.08612	20.7
85.02913	21.6
85.06548	3.9
87.04490	1.8
91.05480	45.4
93.07043	56.1
95.04969	23.0
95.08602	43.3
97.02891	3.6
97.06564	7.4
97.10163	5.3
105.04500	2.2
105.07035	32.8
107.04938	4.4
107.08598	28.3
109.06509	5.4
109.10152	15.6
111.04441	2.6
111.08065	8.3
113.06008	3.0
113.09689	1.6
115.05450	2.3
117.07005	6.8
119.08595	25.9
121.06519	2.5
121.10144	20.9
123.08031	2.6
123.11678	4.9
125.09609	2.5
129.06993	11.7
131.08578	18.4
133.06476	2.9
133.10120	17.2
135.11700	11.5
137.09622	3.3
145.10120	10.0
147.08078	2.7
147.11691	17.3
149.09599	6.5
149.13242	5.1
155.08485	2.4
157.10139	10.9
159.11700	6.7
161.13208	3.5
161.48286	1.5
163.14842	2.0
165.12772	3.2
173.13258	3.1
175.11180	12.3
175.14743	1.6
184.07315	4.8
187.14799	1.9
193.12251	36.3
211.13283	48.4
227.12767	2.2
234.55533	1.6
243.21080	3.1
261.22110	8.9
267.15839	13.4
269.17267	2.7
285.16965	56.6
317.24774	3.1
335.25797	94.6
336.25876	2.0
356.78610	1.5
453.34055	2.2
471.34042	3.3
527.37292	16.2
545.38403	100.0
546.38629	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	743.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	4.0
57.03439	17.8
69.03088	3.5
69.03438	45.8
70.44736	8.4
71.04604	4.6
71.04996	84.1
73.02930	4.9
73.49648	2.5
75.04485	5.3
75.16755	2.3
77.03910	2.6
81.03409	3.3
83.04981	19.0
85.02910	100.0
88.77731	2.5
93.03387	4.9
95.04978	5.7
99.04468	5.7
107.04992	9.3
109.02850	6.1
111.04450	22.2
117.05491	3.6
118.56310	2.6
123.04447	39.8
129.05486	26.9
135.04443	26.3
137.06088	3.7
139.03909	4.9
147.04489	4.3
147.06538	8.8
151.03923	4.5
153.01837	6.2
161.02330	3.2
162.51382	3.2
163.03964	6.0
165.01857	8.8
165.03308	2.5
171.06592	3.4
173.02310	9.7
175.03937	3.6
177.01921	4.1
177.05479	3.6
179.03357	4.7
187.03989	4.0
187.07549	5.7
189.05489	5.1
191.03473	9.7
195.02925	15.4
201.05525	6.7
203.03358	8.6
207.02940	14.5
215.03387	6.1
215.07219	3.8
217.04953	3.8
219.02875	23.4
229.04904	6.3
231.02921	9.4
231.06558	5.5
233.04422	6.5
237.03923	13.1
239.09236	6.8
243.02888	3.3
243.06522	4.9
245.04504	9.8
249.03899	4.5
255.06496	7.5
257.04510	8.5
259.06216	4.4
261.03983	25.0
263.05560	10.7
269.04715	6.0
269.08118	3.4
275.05490	6.1
283.05948	13.1
285.03940	6.7
287.05450	18.2
297.07504	3.6
301.07175	7.4
304.22818	2.7
305.06537	28.6
311.05579	12.2
311.09113	3.1
313.06891	3.8
317.06561	2.9
323.07767	23.8
325.07224	6.2
329.06567	21.3
337.07166	4.9
347.07608	18.5
353.06372	5.0
371.07834	12.8
373.09204	10.5
389.09250	2.8
391.10297	36.9
397.09399	4.2
409.11539	25.1
415.10345	9.8
421.09109	7.1
427.11365	4.3
433.11258	16.8
439.10229	10.1
445.11264	5.7
451.12253	27.3
457.11240	11.4
469.12903	3.9
475.12164	11.0
499.12350	4.0
507.12784	4.4
525.14288	5.8
543.15320	12.7
682.20715	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	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01872	2.9
55.05265	2.1
55.05518	20.3
57.03442	17.9
57.07088	2.0
59.04985	1.4
61.02928	3.6
63.87785	1.3
64.01086	1.1
65.03939	2.9
65.82838	1.1
67.05512	59.3
67.17333	1.3
69.03427	4.6
69.07077	16.9
69.94475	5.0
69.94904	2.2
71.05009	6.5
74.09700	1.7
79.05502	50.3
81.03428	55.7
81.07065	68.7
83.04994	16.6
83.08627	21.6
85.02908	21.7
85.06532	3.3
91.03967	1.7
91.05491	45.7
93.06476	2.8
93.07055	45.4
93.48828	1.2
95.04983	22.6
95.08616	40.7
97.02927	5.9
97.06509	6.6
97.10185	6.8
98.20802	1.4
99.08100	1.5
104.26334	1.4
105.04510	1.8
105.07044	30.7
107.04987	6.4
107.08610	27.7
109.02838	1.8
109.06513	6.9
109.10178	18.0
111.04457	3.1
111.08090	12.7
113.06047	1.7
115.05517	1.7
117.07055	6.9
119.08598	29.2
121.06508	1.9
121.10154	22.1
123.08073	3.4
123.11707	5.4
125.09663	1.6
129.07030	10.8
130.08669	1.7
131.08597	17.4
133.06532	2.4
133.10146	19.2
135.08090	1.7
135.11710	12.6
137.09691	2.4
137.13152	1.6
139.11128	1.3
142.07828	1.8
145.10144	8.4
145.50203	1.2
147.08057	2.8
147.11702	21.7
149.09691	6.2
149.13266	5.6
151.11215	2.7
157.10143	13.0
159.11710	6.2
161.13289	2.7
163.14877	2.7
165.12779	3.2
171.11729	2.3
173.13240	3.2
175.11192	16.9
179.14447	1.4
184.07448	1.4
187.14828	2.0
193.12259	46.5
195.13976	1.2
201.16478	1.7
211.13307	76.0
227.12733	2.3
243.21111	3.0
261.22119	12.2
267.15921	18.4
269.17477	3.0
282.82730	1.6
285.17007	89.9
317.24576	2.5
335.25830	93.0
336.26245	4.0
337.27057	1.5
435.32489	3.1
453.33643	3.9
471.34686	2.0
527.37427	11.8
545.38446	100.0
546.38586	6.0
668.95819	1.4
727.85406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.8
55.05507	24.7
57.03434	19.7
57.07072	11.6
67.03552	6.4
67.05514	86.0
69.07082	38.9
70.09380	31.9
71.05000	7.8
73.06277	6.2
73.49348	6.0
79.05495	67.0
81.03414	27.5
81.07062	99.6
83.04983	7.2
83.08616	17.5
89.31036	6.7
91.05489	59.5
93.07051	100.0
95.04972	14.5
95.08614	51.9
97.06551	9.9
97.10154	9.0
101.90179	6.7
105.07040	58.5
107.08588	54.3
109.10174	13.0
115.05479	7.1
117.07016	16.2
119.08569	47.1
121.10143	29.7
123.11756	9.0
124.99966	8.6
129.06989	9.3
131.08575	27.9
133.10172	33.4
135.11702	15.0
137.09668	8.9
143.08611	7.7
145.10138	19.8
147.11694	38.3
149.13261	30.6
151.11145	7.2
157.10141	12.5
159.11687	20.1
161.13232	18.4
163.11249	8.3
163.88275	7.0
171.11679	8.1
171.28589	6.9
173.13315	9.7
175.14867	8.2
177.12726	10.7
184.07362	26.6
185.13231	7.5
195.06551	6.7
195.13736	11.8
210.95610	6.9
241.19455	28.8
251.35672	6.6
259.20569	51.5
267.15903	24.8
269.17490	84.7
306.87256	6.8
310.91284	7.1
315.23013	8.3
331.48642	6.9
333.24252	58.5
335.25772	13.5
527.37531	64.2
536.98083	7.0
545.38342	15.1
589.79938	8.4
601.83057	7.2
723.63049	7.8
742.42023	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01866	3.6
55.05271	2.1
55.05512	27.9
57.03437	17.8
57.07068	4.7
57.46724	2.0
60.72564	1.8
61.02926	9.7
65.03935	4.4
67.05508	94.5
69.03409	5.6
69.07065	30.1
71.04990	8.9
73.02923	3.5
78.74271	1.9
79.05495	63.8
79.05968	3.2
81.03416	7.5
81.07058	93.9
83.04971	9.2
83.08627	11.8
85.02905	7.0
85.06528	6.3
91.03960	2.1
91.05483	49.8
93.07043	66.5
95.04965	21.5
95.08612	72.9
95.56591	1.8
97.02882	8.1
97.06523	7.7
99.04457	3.7
105.04527	2.5
105.07034	42.2
107.04947	5.0
107.08600	32.2
109.06512	14.3
109.10157	19.2
111.08079	2.1
117.07032	9.6
119.08587	25.2
121.06500	3.1
121.10158	25.9
123.08073	3.8
123.11695	7.2
129.06975	7.9
131.08569	17.7
133.10129	18.7
134.76643	1.9
135.08078	3.3
135.11693	26.8
137.09612	3.8
137.13274	2.3
143.08633	2.3
145.10132	13.4
147.08052	2.9
147.11681	18.6
149.13240	6.6
151.11179	5.0
157.10106	8.3
159.11685	10.2
161.13248	5.4
163.11145	15.3
163.14755	2.4
165.12718	4.9
169.10176	2.0
173.13228	4.9
175.11212	6.9
175.14896	3.0
181.12254	3.2
183.96704	2.0
184.07278	2.9
185.67290	2.0
187.14777	3.8
189.16350	2.4
193.12225	9.2
211.13327	5.5
227.12726	18.5
227.16377	2.3
243.21104	5.7
255.55463	1.8
259.20715	2.5
261.22134	15.0
267.15808	8.4
283.15421	18.9
285.16962	73.1
286.17358	2.6
301.21637	2.3
316.43628	2.0
317.24716	3.0
325.60773	2.0
333.24237	2.1
335.25812	100.0
336.26047	2.5
337.27444	23.9
453.33701	4.5
471.34256	2.8
527.37170	6.0
545.38367	79.1
546.38593	4.6
563.39551	3.1
570.60583	2.1
688.48871	1.9
742.44403	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01871	2.6
55.05508	16.9
57.03436	11.5
57.07080	2.4
61.02921	2.5
65.03929	1.8
67.05507	53.2
69.03429	2.0
69.06741	1.3
69.07072	20.3
70.63818	4.3
71.04989	4.7
79.05493	34.7
81.07058	100.0
82.88641	1.2
83.04968	5.9
83.08618	8.7
85.02901	2.4
85.06534	5.7
91.05483	31.2
93.06485	2.2
93.07049	38.3
95.04951	4.9
95.08610	41.6
97.06517	8.0
97.10151	1.3
99.08081	4.4
105.07034	43.1
107.08601	24.4
108.40730	1.2
109.06496	5.8
109.10164	9.6
117.07001	3.8
117.83467	1.1
119.08583	27.7
119.78368	1.2
121.10143	27.8
123.08061	4.9
123.11707	26.6
129.06981	1.7
131.08536	8.8
133.10132	10.0
135.11670	9.2
137.09625	1.8
137.13286	3.2
145.10088	4.4
147.11688	58.1
149.13269	5.6
157.10112	2.8
159.11743	4.3
161.13232	1.9
163.14836	3.2
165.12735	23.1
173.13326	3.1
175.11133	1.8
183.13815	2.7
184.07336	1.9
187.14783	2.2
193.12262	2.1
209.19196	1.2
209.89413	1.3
229.14392	5.3
243.21045	4.9
261.22159	19.2
267.15918	63.2
268.16467	1.5
279.23215	2.4
285.16971	82.7
286.17206	2.4
286.93753	1.2
317.24548	2.9
335.25812	72.3
336.26016	2.0
353.26816	3.7
471.34836	2.1
527.37189	4.7
545.38354	55.6
546.38550	3.0
563.39252	2.6
648.23761	1.4
649.47644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
53.68730	1.7
55.01871	4.2
55.05516	25.7
56.70771	1.7
57.03441	18.5
57.07078	4.7
65.03939	4.4
67.05509	81.7
69.07072	26.2
70.15971	8.4
71.04998	5.2
72.88593	1.8
79.05498	69.2
80.55737	1.6
81.03413	5.8
81.07062	100.0
83.04995	7.3
83.08628	20.1
85.02906	3.7
85.06548	7.0
86.09694	2.7
90.66117	1.7
91.05485	69.1
93.07053	85.2
95.04987	8.7
95.08612	44.9
97.02924	2.5
97.06528	15.4
97.10177	3.5
98.21455	2.1
99.08099	4.4
105.04523	3.7
105.07040	65.1
107.08601	48.5
109.06521	4.7
109.10159	14.7
111.07255	1.6
111.08089	6.0
113.09659	2.3
117.07010	20.4
119.08589	60.5
121.06499	2.7
121.10154	33.2
123.08031	2.3
123.11710	5.8
125.09655	3.0
127.07548	3.0
128.06232	2.9
129.07002	9.1
131.08585	29.7
133.10141	45.7
135.08047	2.6
135.11697	24.6
135.81133	2.1
139.11185	3.0
142.71518	1.7
143.08519	10.0
145.10144	18.2
147.11700	44.9
149.09752	2.2
149.13268	37.3
151.11224	2.2
157.10136	11.0
159.11699	28.0
161.13264	33.0
163.14822	3.9
165.12746	3.9
171.11702	13.1
173.13272	11.3
175.14891	9.0
177.12794	8.0
183.11734	2.5
184.07315	3.1
185.13283	11.3
187.14749	2.4
195.13808	12.9
199.14749	3.9
201.16510	1.9
213.16350	3.8
231.21127	5.7
241.19507	31.9
242.19763	2.3
257.19052	2.8
259.20581	82.9
267.15930	13.2
269.17499	93.4
277.21704	2.3
315.23184	6.7
333.24261	60.2
334.24539	3.1
335.25726	2.5
435.32657	5.2
453.33603	6.4
471.34674	4.9
509.36505	4.1
517.38708	4.4
527.37329	75.3
528.37915	4.0
545.38391	18.4
698.14185	2.3
738.14941	1.9
742.50305	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01862	2.9
55.05510	15.6
57.03438	12.8
57.07073	1.3
61.02917	2.1
65.03939	1.7
67.05504	40.6
68.03188	1.1
69.03419	3.3
69.07069	11.8
70.75551	2.3
71.04974	3.6
79.05492	33.8
81.03416	36.3
81.06592	2.1
81.07056	40.4
83.04971	7.5
83.08154	1.3
83.08615	15.8
85.02905	15.9
85.06528	2.8
85.31339	0.9
90.34428	1.0
91.05479	24.1
93.07040	32.6
95.04967	15.8
95.07988	1.5
95.08600	29.9
96.08967	1.3
97.02876	2.7
97.06528	4.1
97.10165	4.2
99.08156	1.1
103.34396	1.0
105.07030	15.8
107.04914	3.5
107.08593	17.0
109.06532	3.0
109.10163	12.2
110.55826	1.1
111.04429	2.6
111.08091	6.9
113.06023	1.4
115.05436	1.5
117.07018	3.2
119.08580	14.6
120.23479	1.1
121.10139	14.0
123.08106	1.3
123.11703	3.5
125.09590	1.5
129.07004	6.8
131.08548	9.6
133.10118	9.4
135.11667	8.4
137.09602	1.1
142.07895	1.1
143.08524	1.1
145.10147	4.3
147.08047	2.0
147.11699	9.5
149.09615	3.0
149.13243	2.5
157.10156	5.9
159.11667	1.7
161.13205	2.3
163.11171	2.4
165.12758	1.9
167.40610	1.1
173.13284	2.1
175.11176	8.7
175.85251	1.5
184.07329	1.3
193.12230	26.7
211.11328	2.3
211.13290	33.7
227.12852	2.3
238.42851	1.0
243.21033	1.2
261.22195	6.1
267.15930	8.6
277.21429	1.1
285.16977	38.3
286.17175	1.4
301.25507	1.3
317.24789	2.5
335.25793	69.7
336.26117	5.3
337.26434	1.6
527.37378	5.8
539.25238	1.2
545.38361	100.0
546.38635	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
55.01886	6.3
55.05510	12.5
57.03437	13.1
61.02925	4.7
65.03947	3.0
67.05508	42.2
69.03421	5.3
69.07063	10.4
70.03413	1.1
71.01373	1.6
71.04988	4.5
73.02911	3.9
79.05491	23.5
81.03419	42.8
81.07055	32.1
82.03796	1.2
83.04965	9.7
83.08621	14.7
85.02904	7.8
85.06553	3.9
87.04465	1.3
91.03956	2.2
91.04910	2.1
91.05481	44.1
93.07041	38.3
95.04967	29.6
95.08611	15.4
97.02896	4.9
97.06522	6.5
97.10197	7.6
97.10756	1.5
98.21552	2.4
99.04445	1.8
99.08093	1.4
103.05470	15.3
105.04534	3.7
105.07027	17.0
106.07307	1.3
106.13690	1.3
107.04965	8.3
107.08573	10.5
109.06520	9.7
109.10166	17.2
111.04424	2.8
111.08099	5.3
113.06036	1.8
117.07037	5.4
118.06585	2.6
119.04948	2.1
119.08578	15.3
119.09360	1.5
121.06511	87.6
121.10135	8.7
123.04460	4.0
123.08112	3.8
123.11720	3.6
125.09667	6.9
127.03914	1.3
128.06239	1.8
129.05476	1.6
129.06958	6.7
131.08575	8.7
133.06488	2.7
133.10127	11.6
135.08061	3.4
135.11694	5.0
137.09630	3.4
139.03896	1.5
142.06386	1.4
143.08530	1.6
145.06560	2.0
145.10120	6.4
146.09656	1.7
147.04477	1.9
147.08078	4.0
147.11685	9.7
149.09628	4.4
151.03918	1.5
151.11206	4.0
155.08606	1.8
157.08957	1.5
157.10147	6.6
161.09630	1.5
161.13278	1.7
163.11201	6.0
165.12790	2.9
167.07037	1.4
173.09633	2.5
173.11778	5.6
175.11169	7.7
183.84930	1.2
191.10719	1.8
193.12234	13.0
208.17656	1.3
209.11786	4.5
211.13388	5.3
227.12762	6.1
229.14339	9.5
233.15398	12.9
243.16055	2.4
267.15906	26.7
268.16330	1.7
269.17538	1.5
283.15540	5.0
285.16995	15.8
299.14993	2.1
301.16599	4.8
309.17017	2.1
324.26944	1.7
338.04666	1.5
340.26471	5.0
367.22864	4.8
368.25891	18.3
383.24454	4.8
385.23822	4.7
386.26962	11.6
403.25034	4.9
404.28040	5.2
441.26987	1.7
442.29645	5.8
459.27408	40.1
460.30640	34.9
460.36722	2.0
461.30151	1.8
469.27835	2.1
477.28397	43.5
495.29846	5.9
509.27509	1.3
524.33575	1.8
527.28503	1.2
545.29077	1.7
719.40271	1.6
742.41656	100.0
743.42303	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	740.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01870	2.4
55.05511	15.6
57.03422	4.7
57.07062	3.3
65.03918	2.2
67.05508	47.1
69.03386	1.5
69.07068	13.7
69.18475	9.2
69.18896	5.1
71.04968	2.9
71.08615	1.7
79.05499	42.2
81.03410	3.1
81.06600	2.8
81.07063	48.1
83.04960	6.0
83.08617	8.2
91.05488	31.1
93.07050	37.2
94.07327	1.4
95.04981	8.9
95.08608	29.7
97.06513	4.2
97.10165	3.0
98.21531	3.2
99.08091	1.8
105.07039	23.0
107.04926	2.3
107.08575	11.3
109.06500	1.4
109.10147	9.3
117.07002	3.8
119.08594	15.5
121.10136	5.0
123.08034	2.5
123.11671	4.1
125.09613	1.5
129.06979	7.9
131.08574	3.7
133.10132	8.1
135.11694	3.0
137.09538	1.6
137.13214	1.6
143.08543	5.0
145.10101	5.4
147.08047	1.6
147.11707	19.3
161.09492	1.7
161.13251	5.9
171.11696	12.8
175.14836	1.5
189.12715	5.6
207.13818	14.8
236.71718	1.2
243.62741	1.3
263.23624	2.1
277.21634	1.8
281.17484	44.0
323.23001	1.3
337.27362	52.4
414.38446	1.5
543.40485	100.0
544.40735	4.4
628.45789	2.2
646.66876	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95432	1.1
53.03937	4.7
55.01865	5.4
55.05514	19.6
57.03440	12.6
59.05009	1.4
62.43938	1.1
65.03937	1.6
67.05510	22.4
69.03427	2.3
69.07072	8.0
69.71175	7.4
71.04980	5.3
79.05069	2.2
79.05497	29.7
81.03424	56.6
81.07065	22.0
83.04975	5.5
83.08630	14.9
85.02892	3.6
85.06544	2.4
85.79585	1.2
91.05490	21.1
93.07054	23.5
95.04975	23.7
95.08613	11.2
97.02893	2.2
97.06519	4.2
97.10178	17.8
105.07030	13.4
107.04967	19.6
107.08592	16.1
109.06532	16.1
109.10177	7.0
111.08110	5.6
115.05470	1.9
117.07034	7.7
119.04969	1.4
119.08578	15.9
121.06525	16.1
121.10143	14.3
123.04450	3.4
123.08069	4.9
125.09638	16.1
128.06236	1.5
129.07011	7.3
131.04941	2.4
131.08600	15.9
133.06453	3.6
133.10114	6.0
135.04420	1.8
135.08075	8.1
135.11667	2.5
137.09598	2.3
139.11220	2.1
141.07050	1.9
142.07820	2.1
143.08574	2.8
145.06516	3.6
145.10100	5.5
147.04446	2.2
147.08076	5.6
147.11679	8.2
149.09650	6.6
153.09071	2.9
153.12706	1.9
155.08475	2.5
157.10133	7.6
159.08066	2.6
159.11632	2.1
161.09607	1.5
163.11172	5.3
165.12746	1.7
167.10728	1.9
171.08086	2.2
171.10213	1.4
171.11688	2.7
173.09703	2.0
173.11778	1.2
173.13289	3.0
175.11218	8.6
185.13275	1.3
187.11162	1.6
189.11226	4.8
189.12735	2.2
191.10574	1.3
191.14325	4.4
193.12259	19.7
195.11708	1.8
199.11302	1.6
205.12231	1.8
211.13246	2.3
213.12668	1.5
215.14386	2.8
217.12279	1.3
219.13826	10.6
227.12689	2.8
229.14265	1.6
233.15422	4.1
235.13269	1.4
255.13617	1.7
257.15103	1.3
259.15485	7.5
267.15924	43.8
268.16156	1.8
273.14801	6.5
275.16525	1.6
283.15543	1.4
293.17532	6.5
318.17703	1.3
339.23175	3.1
349.21585	3.4
357.24353	2.3
367.22696	17.0
385.23764	26.3
403.24918	8.9
423.25259	1.5
441.26462	7.0
451.26929	5.1
459.27472	93.2
460.27710	4.5
477.28491	100.0
478.28790	4.4
491.30234	10.2
495.29507	9.5
501.28320	2.7
509.31168	3.6
563.63007	1.5
567.29041	2.4
766.75964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01864	1.9
55.05274	0.8
55.05518	14.1
57.03440	8.8
57.07064	1.2
61.02926	1.3
65.03935	2.0
67.05508	41.8
69.03417	1.5
69.07073	12.2
69.63066	0.6
69.91778	2.5
69.92200	1.2
71.04980	1.8
73.02907	1.1
73.74863	0.6
77.03938	0.8
79.05497	36.1
81.03412	2.3
81.07058	42.9
82.10332	0.7
83.04981	2.6
83.08618	7.5
85.02877	1.5
85.06529	1.0
86.09713	0.8
91.05488	15.4
93.07047	43.9
95.04973	5.0
95.08612	48.4
97.02889	3.1
97.06531	3.7
97.10156	1.5
99.04455	2.9
99.08121	0.6
103.05470	1.1
105.04539	0.9
105.07035	12.3
107.04959	7.3
107.08598	28.6
109.06525	1.8
109.10156	9.8
111.04354	0.8
111.08082	1.8
111.11719	0.7
117.07014	7.3
119.08585	11.2
121.06538	3.5
121.10157	16.6
123.11678	2.2
125.00014	0.8
125.05991	2.0
129.06982	0.6
130.07780	1.1
131.08583	4.6
131.57500	0.7
133.10141	5.7
135.08047	2.2
135.11702	37.6
136.12029	0.6
137.09601	0.7
137.13235	0.8
141.36208	0.6
143.08546	1.5
145.10129	22.7
147.11713	2.6
149.13263	2.9
159.11711	2.3
161.13248	1.2
163.11189	40.2
163.14832	1.9
173.09605	1.1
173.13284	1.3
181.12219	7.4
184.07333	2.0
187.14824	1.1
209.11668	1.3
227.12787	51.2
228.13181	1.4
243.21158	1.7
261.22208	5.8
283.15399	47.5
284.15826	1.2
317.24734	2.3
335.25815	100.0
336.26389	3.0
416.89014	0.6
463.15631	0.7
543.36847	75.1
544.37103	4.3
718.65399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.23229	0.8
55.01869	2.9
55.05272	1.1
55.05517	13.9
57.03443	11.4
57.07070	2.7
61.02938	1.4
65.03938	2.0
67.05510	49.3
67.51525	0.7
68.05856	1.2
69.03436	2.1
69.07071	14.5
71.04989	2.4
73.02907	1.5
77.03886	0.8
79.05499	44.6
81.03426	2.2
81.07064	49.5
83.04980	5.1
83.08626	11.2
83.91393	0.7
85.02904	1.7
85.06547	1.5
91.05487	17.1
93.07050	60.5
95.04978	8.5
95.08613	63.0
97.02932	3.6
97.06512	5.6
97.10181	1.8
99.04461	5.0
103.05487	1.3
105.07037	15.6
107.04970	9.3
107.08598	38.9
109.06496	1.9
109.10159	13.3
109.25726	0.9
111.04441	1.6
111.08059	1.5
117.07034	12.5
119.08588	16.6
121.06512	6.1
121.10150	22.4
121.11040	1.3
123.08049	1.3
123.11720	2.8
125.05994	2.2
129.06969	0.9
130.07829	1.8
131.08588	5.2
133.10150	8.0
135.08037	2.6
135.11702	55.6
137.09695	0.7
137.13266	1.1
138.46104	0.8
139.07568	1.4
143.08569	0.9
145.10133	33.4
147.11708	3.4
149.09538	0.8
149.13284	2.0
150.38319	0.7
159.11696	2.8
161.13277	2.0
163.11186	64.3
173.09660	1.6
173.13237	1.8
181.12257	11.3
184.07408	1.3
209.11703	2.4
227.12794	94.7
228.13148	1.5
229.62920	1.0
243.21140	2.8
261.22214	8.8
283.15421	100.0
284.15738	2.4
287.44583	0.8
317.24762	2.5
335.25815	94.9
336.26227	4.6
437.09955	0.9
543.36853	88.8
544.37323	5.0
690.36169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.12225	0.5
55.01856	1.7
55.05310	0.6
55.05517	6.7
57.03442	4.0
58.86122	0.5
60.75158	0.5
65.03933	1.3
65.82983	0.7
67.05509	22.8
69.03421	2.0
69.07068	3.4
70.90656	1.6
71.04993	8.8
74.94180	0.6
79.05085	0.7
79.05501	12.1
81.03424	19.1
81.07059	29.6
82.07404	0.6
83.04544	0.6
83.04973	3.7
83.08626	5.8
85.02905	1.0
85.06536	3.0
91.05480	11.9
93.07047	9.3
95.04974	10.0
95.08601	5.3
97.02874	1.8
97.06528	2.3
97.10162	3.7
99.08070	0.8
105.07034	8.8
107.04958	7.2
107.08604	6.3
109.06528	7.2
109.10163	4.5
111.08073	3.3
117.07023	3.4
119.04923	0.6
119.08569	5.0
121.06522	7.0
121.10183	3.5
123.04447	0.9
123.08099	1.5
123.11716	4.2
125.09660	4.4
125.10423	0.7
129.07034	3.5
131.04970	0.9
131.08559	7.5
133.06506	2.0
133.10139	8.4
135.08081	2.6
135.11714	1.8
137.06046	0.6
137.09628	0.8
141.06996	1.0
143.08583	2.1
145.06485	1.5
145.10152	2.7
147.04431	0.9
147.08040	1.9
147.11713	3.7
149.09637	2.5
149.13252	1.7
151.07587	0.8
151.11169	3.3
155.08534	1.4
157.10121	3.2
159.08127	1.5
159.11700	2.4
161.09593	1.4
163.11209	1.8
165.12810	1.1
169.10124	1.1
171.08055	0.8
171.11755	1.2
173.09619	0.7
173.13272	2.5
175.11304	2.9
177.12778	1.2
179.28725	0.7
181.10196	0.9
185.13264	1.1
187.11330	0.9
187.13246	1.0
189.09273	0.6
189.11234	1.4
189.12735	1.1
191.14348	1.9
193.12219	4.1
195.11774	0.8
195.13811	0.6
199.11092	0.6
201.16481	0.6
209.13135	0.7
213.12793	0.9
217.15907	0.9
219.13850	4.1
221.15402	1.0
223.13222	1.1
227.12697	1.2
231.13524	0.9
243.15996	1.2
249.14851	1.3
257.17462	0.9
267.15866	9.4
269.17581	1.5
275.16321	1.1
301.20157	3.9
301.23187	0.7
325.21683	1.0
343.22668	4.4
349.23886	0.7
351.23145	1.5
361.23813	0.7
369.24387	2.3
385.89285	0.8
387.25342	1.2
407.25842	1.2
417.26495	3.7
425.26965	1.9
435.27472	15.7
443.28046	10.4
461.29013	100.0
462.29150	4.6
493.31815	5.6
637.36310	1.1
652.97552	0.7
704.15533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01871	12.8
55.05516	42.1
57.03442	25.5
57.07068	2.1
59.05006	23.7
61.02922	5.1
65.03951	4.0
67.05510	100.0
69.03436	10.5
69.07073	13.0
70.56261	2.1
70.56581	3.3
71.05001	15.2
71.66956	1.6
79.05496	48.3
81.03424	97.0
81.07063	54.5
83.04984	28.5
83.08631	29.5
84.05274	2.2
85.02920	24.4
85.06533	3.2
87.04475	32.8
91.05482	50.5
93.07049	33.0
93.29293	1.9
94.09382	1.8
95.04974	33.9
95.08620	20.2
97.02897	9.4
97.06541	11.3
97.10170	15.1
99.04469	14.5
102.43346	1.8
105.07033	31.5
107.04962	18.7
107.08598	20.1
108.34842	1.8
108.70303	1.7
109.06538	6.8
109.10164	56.4
110.10554	1.9
111.04449	15.3
111.08073	17.0
113.06043	3.4
115.05477	3.2
117.07020	7.1
119.04951	2.0
119.08595	30.0
121.02847	3.3
121.06490	6.8
121.10156	13.2
123.04438	2.3
123.08098	3.9
125.09609	11.2
127.83569	2.3
129.07022	12.5
131.04970	2.0
131.08578	19.0
133.06512	2.6
133.10138	14.0
135.04425	2.3
135.08073	2.0
135.11699	14.2
137.09613	4.9
142.07793	2.7
145.10147	8.8
147.04498	2.3
147.08052	6.3
147.11691	15.4
149.09628	6.5
151.11230	2.2
153.12761	20.8
153.13933	2.5
155.08620	1.7
155.10699	5.8
157.10149	15.5
163.11198	19.2
165.12744	2.4
173.09641	3.3
173.11745	16.6
174.03090	1.8
175.11226	17.1
181.12250	12.5
184.07475	2.1
191.10640	9.2
193.10931	1.3
193.12259	55.7
199.13348	8.4
209.11769	9.4
211.13310	59.3
217.14409	2.4
220.93951	1.9
223.13159	2.7
227.12773	27.1
229.14343	52.4
230.14735	2.5
241.14325	3.6
247.13338	5.8
249.14943	3.4
267.15936	49.4
283.15427	17.7
285.17026	31.4
315.17889	4.9
383.22113	3.7
409.25958	4.9
421.25793	18.4
427.26874	4.2
439.26935	65.1
439.33005	3.6
461.28979	4.1
475.26944	12.5
493.28085	5.3
503.85794	1.9
525.30273	7.2
598.95288	1.9
637.61017	2.2
733.40259	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	740.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.2
55.01877	18.8
55.05514	31.3
57.03438	19.3
58.16011	1.7
59.04998	3.5
65.03934	2.9
67.05511	50.2
69.03435	9.1
69.07073	12.0
69.38716	13.5
71.01358	2.2
71.04993	7.2
73.02908	4.3
79.05494	44.6
81.03424	100.0
81.07059	38.5
82.04217	3.0
83.04993	32.3
83.08162	2.0
83.08631	26.3
85.02904	6.1
85.06541	4.4
86.00601	1.7
87.04462	3.1
88.66649	1.5
91.05486	38.1
93.07051	36.6
95.04971	36.3
95.08617	17.9
97.02878	8.3
97.06554	11.7
97.10177	11.1
98.07308	2.4
99.04458	3.2
103.05492	2.4
105.07032	23.0
107.04970	25.2
107.08606	21.1
109.02896	3.3
109.06527	6.1
109.10174	23.4
111.04457	18.8
111.08095	14.4
115.05463	2.4
116.04725	8.5
117.05526	2.5
117.07034	8.5
119.04975	2.4
119.08585	25.8
121.02869	4.4
121.06499	9.1
121.10150	16.3
123.04485	3.0
123.08091	6.3
123.11756	1.7
125.05983	2.2
125.09624	12.4
129.05513	12.8
129.07016	14.5
131.08571	17.0
133.06490	4.6
133.10133	11.4
135.04427	4.3
135.08086	4.5
135.11693	18.6
137.09653	3.1
142.07735	2.8
143.07059	4.1
143.08627	1.7
145.06471	3.4
145.10118	14.4
147.04437	1.6
147.08066	5.1
147.11708	12.5
149.09645	9.8
153.12755	34.2
155.08582	4.0
155.10719	2.2
157.08630	9.6
157.10146	16.7
159.11684	2.6
161.06004	2.3
161.09656	1.9
163.11191	26.1
165.12779	3.3
171.10242	2.9
173.09686	3.7
173.11719	4.8
175.11165	13.5
177.12718	1.9
181.12239	24.4
183.11781	2.8
189.11180	7.6
191.10695	11.1
193.12253	38.3
199.13301	4.4
201.12778	3.8
201.14665	2.1
203.14326	1.8
209.11761	13.0
211.13272	9.7
212.42290	1.8
219.13853	3.0
227.12807	41.4
229.12285	2.8
229.14305	13.1
231.13960	2.2
247.13332	23.8
249.14896	5.0
255.15881	2.1
265.14291	2.9
267.15927	75.7
268.16403	2.5
283.15424	28.3
285.17032	2.8
301.16525	26.0
321.16971	5.9
383.22330	5.2
401.22989	2.7
421.25937	4.6
439.27054	3.9
457.25641	3.0
458.26447	2.5
461.28931	2.7
475.26892	19.9
476.27063	2.8
493.28073	24.0
525.30933	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	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84723	2.7
53.03954	9.2
55.01874	19.4
55.05516	29.3
57.03435	14.0
61.02932	12.5
65.03944	6.0
66.97956	2.4
67.05511	76.3
69.03448	15.9
69.07072	27.7
71.05003	7.7
71.47382	2.8
71.52383	3.6
73.02917	3.5
76.93536	2.6
79.05064	4.9
79.05496	58.7
81.03435	24.1
81.07067	100.0
82.07394	4.1
83.04979	16.5
83.08630	21.9
85.02922	13.0
85.06548	7.7
91.03950	4.6
91.05485	68.0
93.07053	52.3
95.04991	15.4
95.08618	47.4
97.02911	15.0
97.06536	25.9
97.10162	14.4
98.06893	2.5
99.04490	3.8
99.08104	6.2
105.03391	3.1
105.07038	74.4
107.04926	16.1
107.08603	44.4
109.02909	7.2
109.06524	15.2
109.10168	18.8
111.04408	2.9
111.08092	7.3
113.06030	2.7
117.06990	19.5
118.48484	2.5
119.08595	52.8
121.06490	6.6
121.10159	25.9
122.10473	2.9
123.08092	7.7
123.11703	24.4
125.09649	15.5
127.03939	7.5
129.07027	11.0
131.08574	28.3
133.06549	4.4
133.10141	24.2
135.08063	7.1
135.11739	14.2
137.09645	5.9
141.06978	3.9
143.08563	11.0
145.06485	3.4
145.10152	19.6
147.08035	6.5
147.10547	2.9
147.11699	55.3
149.09634	17.0
149.13246	3.7
155.08574	3.7
157.10152	11.6
159.11644	12.7
161.13356	4.7
163.11166	13.3
165.12781	23.2
169.10226	6.9
169.76472	3.0
171.11737	6.6
173.09605	3.6
173.11893	3.8
173.13251	6.1
175.11217	5.7
177.12938	3.1
179.14255	3.6
183.11613	3.2
185.13295	3.3
187.14790	3.0
189.11235	8.2
193.12253	4.3
197.13193	3.9
227.12782	18.9
229.14345	9.3
230.15154	3.7
247.20778	2.9
257.19110	9.1
267.15933	61.9
275.20087	53.3
276.20551	2.8
285.16998	50.4
293.21191	5.1
301.09128	3.6
337.06137	3.3
349.23737	40.0
413.17532	5.5
437.25339	9.8
463.30573	5.2
479.30267	7.3
527.36963	2.9
541.34973	8.6
545.38324	3.7
559.36407	34.5
577.37512	16.7
595.15375	3.2
611.30371	3.7
653.31482	4.7
669.96082	3.7
739.37891	19.6
750.31720	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	739.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.1
55.01876	39.9
55.05516	49.0
57.03434	20.9
59.05011	4.4
61.02932	18.2
65.03938	9.7
67.05510	90.7
69.03439	19.9
69.07077	29.4
69.36784	15.4
69.37193	7.6
71.04647	2.9
71.04978	15.2
71.08612	3.2
73.02922	6.2
77.03925	2.8
79.05499	100.0
79.09529	2.5
81.03423	74.0
81.07061	99.3
83.04990	30.3
83.08627	33.2
85.02909	31.9
85.06520	6.4
91.03963	8.7
91.05485	98.9
92.06416	2.9
93.07050	72.3
95.04981	39.3
95.08618	44.7
97.02902	19.7
97.06538	47.1
97.10181	21.3
98.20733	3.4
99.08053	2.8
103.05454	5.5
105.04497	2.9
105.06312	4.4
105.07034	85.0
107.04965	32.8
107.08598	59.1
109.02860	4.7
109.06515	14.6
109.10174	29.4
111.04440	9.1
111.08089	15.4
115.05473	7.2
117.07031	24.8
117.67383	2.4
119.08585	63.1
119.09377	5.4
121.06515	14.0
121.10162	28.5
123.04444	3.8
123.08057	9.9
123.11702	8.6
123.64638	2.7
125.09636	22.7
127.03946	4.5
128.06229	5.3
129.07013	23.2
131.08566	41.1
133.06512	7.3
133.10143	42.0
135.08089	10.4
135.11696	15.0
137.09659	6.1
141.06992	8.2
142.07768	6.3
143.08604	11.4
145.06442	3.0
145.10132	30.1
147.08034	8.1
147.11691	38.4
149.09637	36.8
149.13261	6.7
151.11226	5.2
153.09122	4.9
155.08559	7.3
157.10138	24.1
159.07993	2.6
159.11688	16.5
159.88399	2.7
161.09583	5.1
161.13353	9.5
163.11218	15.1
165.06973	2.6
165.12724	5.1
166.07695	2.8
169.10101	7.5
171.11697	12.3
173.11981	2.9
173.13312	8.5
175.11232	16.9
179.14351	4.2
181.10133	4.6
181.12076	3.5
183.11688	8.4
185.13248	4.5
187.11165	4.9
189.11249	10.7
189.12805	3.9
193.12274	42.2
195.11781	3.9
197.13281	5.3
201.12674	3.6
203.14279	3.8
209.13382	4.5
211.13303	53.6
227.12791	42.9
229.14392	5.2
229.19371	3.0
245.14008	4.1
257.19058	12.8
259.20602	3.2
267.15927	28.3
267.21225	2.8
269.17441	3.5
273.18433	4.4
275.20090	65.2
285.16977	47.8
286.09674	2.8
291.19775	3.5
293.21234	4.3
301.21545	4.2
313.21671	4.4
331.22443	3.5
349.23737	44.2
363.22061	3.9
437.24927	4.9
447.27518	4.1
463.30377	7.6
467.31412	3.3
479.29971	4.4
485.32602	5.6
501.32114	4.0
523.34381	4.0
541.35345	33.3
559.36310	48.7
577.37500	19.6
685.38623	3.8
703.39697	4.1
720.63428	3.2
721.40894	5.3
739.38184	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	739.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05508	1.0
57.03440	6.5
65.03941	1.1
68.99787	3.8
69.03423	3.5
71.04607	1.7
71.04995	33.7
71.50765	1.0
72.05290	1.0
81.03407	2.4
83.04962	0.9
85.02911	29.6
87.04457	1.1
89.03915	1.6
93.03413	1.9
95.04948	1.6
103.05492	1.0
105.03432	0.9
107.04983	4.5
109.02879	2.8
111.00769	2.1
111.04456	6.6
121.02855	1.7
123.04430	31.1
127.03922	100.0
129.05476	7.2
131.04919	1.8
135.04425	40.9
137.02345	6.7
139.03902	15.8
143.04895	0.9
147.04390	2.5
147.06566	1.0
149.02365	7.1
149.05927	0.9
151.03883	8.1
153.01833	22.1
155.04909	1.5
157.06442	1.5
159.04445	4.8
161.02319	1.0
161.05939	2.6
163.00208	2.4
163.03918	40.0
165.01866	5.0
167.03410	5.6
169.04974	1.1
169.06483	1.4
173.05989	3.9
175.03912	2.5
175.07503	1.1
177.01845	2.0
177.05472	1.6
178.23599	1.1
179.03419	8.5
181.01346	4.6
181.04915	1.0
183.02913	2.2
183.04504	1.0
185.05939	2.3
187.03914	6.8
189.01831	1.8
191.03387	1.8
191.06993	1.3
193.04958	1.5
195.02882	2.6
197.05957	3.2
201.05493	4.0
203.03354	4.5
203.06973	1.5
205.01360	14.1
205.04985	2.6
207.02870	2.5
213.05493	1.7
215.03438	1.8
215.07033	2.5
217.01335	2.5
217.04959	1.4
219.06480	0.9
223.02393	4.3
225.05498	1.3
227.03389	1.4
229.01369	2.1
229.04961	4.6
231.06549	6.1
241.04956	1.2
243.06599	5.9
243.55336	1.0
245.04387	5.3
247.02429	1.6
247.06029	31.9
253.04880	1.2
257.04517	2.4
259.02377	2.6
259.06030	8.1
261.07584	2.0
269.04425	1.8
271.02380	8.2
271.06000	19.2
273.03922	3.5
285.03903	3.5
287.05475	3.4
289.03452	12.4
289.07053	33.0
295.06049	1.3
297.03967	6.7
299.05557	2.1
301.03525	10.1
303.05148	1.6
305.06628	12.3
306.06921	1.0
311.05377	1.3
313.03540	1.6
313.07123	2.7
315.04956	6.5
317.06522	3.2
351.73398	1.0
357.09515	3.1
375.10809	4.0
377.06439	2.0
407.07550	1.2
417.12064	1.8
421.09210	1.1
423.07117	21.4
425.08734	6.0
441.08142	17.4
449.08951	1.0
483.08954	1.3
487.53409	1.1
533.11108	1.0
569.12762	1.8
575.11700	2.4
593.13104	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	738.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05033	0.7
57.03449	0.3
57.07080	0.5
58.06612	0.3
58.56740	0.2
60.08170	6.2
67.05505	0.6
69.07059	0.4
69.26556	1.5
71.07378	3.6
71.08650	0.3
79.05502	0.6
79.61681	0.2
81.03432	0.8
81.07066	0.8
83.08633	0.4
85.10167	0.2
86.09713	29.5
91.05483	0.6
93.07037	0.2
95.08611	0.5
98.98475	3.7
98.99120	0.2
104.10756	2.3
105.07010	0.2
107.08566	0.2
109.10202	0.3
119.08599	0.2
125.00014	20.4
147.11728	0.2
149.09674	0.2
184.07353	100.0
185.07681	0.5
193.12335	0.3
267.15884	1.2
287.18994	0.2
311.40970	0.2
313.27377	1.6
421.96185	0.2
483.82315	0.2
496.33408	0.3
505.39127	0.9
545.70374	0.2
688.45502	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	738.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01886	0.8
55.05522	4.2
56.05037	0.8
57.03445	4.0
57.07079	8.1
58.06587	0.6
60.08168	6.1
61.02906	0.6
65.03941	0.6
66.65997	0.6
67.05511	10.2
67.05847	1.3
68.05827	0.8
69.03407	0.9
69.07082	3.4
69.79079	0.7
71.01338	0.9
71.05002	1.1
71.07390	4.1
71.08643	6.8
71.50847	0.9
71.51282	0.8
79.05498	5.9
81.03424	21.0
81.07057	9.1
83.04991	2.0
83.08624	7.3
84.34093	0.6
85.02901	0.9
85.10194	3.8
86.09711	31.2
88.59422	0.7
91.05484	6.6
93.07043	5.8
95.04971	6.6
95.08609	6.2
97.02885	1.2
97.06518	1.3
97.10176	1.3
98.98464	2.9
104.10726	2.2
105.07036	4.8
107.04961	1.3
107.08578	2.8
109.06525	2.0
109.10139	3.3
111.04449	0.8
111.08091	1.6
112.99999	0.6
117.07049	1.2
119.08587	3.6
121.10143	2.3
123.08067	0.9
123.11707	1.4
125.00011	21.5
125.09584	0.9
129.06970	2.8
131.08546	3.6
133.06522	0.8
133.10141	1.6
135.08057	0.9
135.11678	1.1
137.09541	0.7
142.07762	0.8
147.08038	1.3
147.11714	2.4
149.09605	2.0
157.10132	2.4
175.11139	1.5
184.07353	100.0
193.12251	6.4
197.26668	0.6
258.76212	0.7
267.15945	30.1
268.16138	1.0
291.19455	1.6
303.14175	0.9
313.27390	25.3
314.27774	1.2
345.62415	0.7
505.38959	21.5
511.72794	0.7
541.40234	1.6
547.39484	0.8
626.44708	2.0
688.45667	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	739.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05508	1.0
57.03440	6.5
65.03941	1.1
68.99787	3.8
69.03423	3.5
71.04607	1.7
71.04995	33.7
71.50765	1.0
72.05290	1.0
81.03407	2.4
83.04962	0.9
85.02911	29.6
87.04457	1.1
89.03915	1.6
93.03413	1.9
95.04948	1.6
103.05492	1.0
105.03432	0.9
107.04983	4.5
109.02879	2.8
111.00769	2.1
111.04456	6.6
121.02855	1.7
123.04430	31.1
127.03922	100.0
129.05476	7.2
131.04919	1.8
135.04425	40.9
137.02345	6.7
139.03902	15.8
143.04895	0.9
147.04390	2.5
147.06566	1.0
149.02365	7.1
149.05927	0.9
151.03883	8.1
153.01833	22.1
155.04909	1.5
157.06442	1.5
159.04445	4.8
161.02319	1.0
161.05939	2.6
163.00208	2.4
163.03918	40.0
165.01866	5.0
167.03410	5.6
169.04974	1.1
169.06483	1.4
173.05989	3.9
175.03912	2.5
175.07503	1.1
177.01845	2.0
177.05472	1.6
178.23599	1.1
179.03419	8.5
181.01346	4.6
181.04915	1.0
183.02913	2.2
183.04504	1.0
185.05939	2.3
187.03914	6.8
189.01831	1.8
191.03387	1.8
191.06993	1.3
193.04958	1.5
195.02882	2.6
197.05957	3.2
201.05493	4.0
203.03354	4.5
203.06973	1.5
205.01360	14.1
205.04985	2.6
207.02870	2.5
213.05493	1.7
215.03438	1.8
215.07033	2.5
217.01335	2.5
217.04959	1.4
219.06480	0.9
223.02393	4.3
225.05498	1.3
227.03389	1.4
229.01369	2.1
229.04961	4.6
231.06549	6.1
241.04956	1.2
243.06599	5.9
243.55336	1.0
245.04387	5.3
247.02429	1.6
247.06029	31.9
253.04880	1.2
257.04517	2.4
259.02377	2.6
259.06030	8.1
261.07584	2.0
269.04425	1.8
271.02380	8.2
271.06000	19.2
273.03922	3.5
285.03903	3.5
287.05475	3.4
289.03452	12.4
289.07053	33.0
295.06049	1.3
297.03967	6.7
299.05557	2.1
301.03525	10.1
303.05148	1.6
305.06628	12.3
306.06921	1.0
311.05377	1.3
313.03540	1.6
313.07123	2.7
315.04956	6.5
317.06522	3.2
351.73398	1.0
357.09515	3.1
375.10809	4.0
377.06439	2.0
407.07550	1.2
417.12064	1.8
421.09210	1.1
423.07117	21.4
425.08734	6.0
441.08142	17.4
449.08951	1.0
483.08954	1.3
487.53409	1.1
533.11108	1.0
569.12762	1.8
575.11700	2.4
593.13104	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	738.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.01873	2.0
55.05519	14.4
57.03452	9.2
57.07086	2.5
65.03928	2.3
67.05511	50.4
69.07068	12.3
71.04970	2.6
77.03925	1.7
79.05499	51.0
79.68439	1.6
81.03397	3.6
81.07065	41.0
83.04998	8.7
83.08614	6.2
85.06536	1.7
91.05482	35.2
93.07049	57.9
93.07643	3.3
95.04961	10.8
95.08612	29.6
97.02890	1.9
97.06477	1.7
97.10159	2.3
105.07032	24.3
107.04974	3.0
107.08598	17.8
109.06496	3.5
109.10165	11.2
111.08101	1.6
115.05454	1.9
117.07035	7.6
119.08571	16.9
121.10141	11.1
123.08038	2.3
123.11681	2.4
128.06186	2.4
129.06987	8.3
131.08563	6.9
133.10153	10.0
135.11678	6.8
143.08530	4.6
145.10129	8.1
147.11681	17.7
149.13235	2.6
159.11636	2.8
161.13280	5.9
171.11691	11.8
189.12782	3.2
207.13855	12.3
261.22208	4.0
281.17502	28.1
335.25830	41.4
336.25897	2.3
427.19821	1.6
456.48016	1.4
541.38922	100.0
542.39227	7.1
584.98169	1.4
623.57147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01875	7.1
55.05265	2.2
55.05514	23.4
57.03439	12.8
57.07065	1.3
59.05004	10.9
61.02930	2.0
65.03943	1.9
67.05510	76.1
68.05828	2.4
69.03419	4.7
69.07075	10.2
71.04994	10.4
71.51435	1.2
72.08153	1.2
73.02923	3.3
79.05497	39.1
80.05843	1.2
81.03424	11.3
81.07065	35.7
82.03738	1.4
82.07407	1.9
83.05000	7.7
83.08627	13.1
85.02894	5.3
85.06566	2.8
86.09689	1.4
86.54460	0.9
87.04473	11.9
91.05488	22.1
92.05782	1.3
93.07052	45.7
93.07642	2.7
94.07380	1.4
95.04961	13.3
95.08614	42.3
97.02907	8.0
97.06528	6.3
97.10181	9.0
99.04453	16.2
99.08073	1.6
105.07050	12.5
107.04974	14.2
107.08601	34.1
109.02856	2.0
109.06523	5.5
109.10163	52.7
110.10456	1.8
111.04433	2.9
111.08108	5.1
117.07030	10.9
119.08594	18.0
121.06547	6.8
121.10150	16.1
123.08066	3.2
125.06001	3.1
125.09621	7.1
129.07027	1.7
130.07785	1.4
131.08588	5.0
133.10130	6.3
135.08058	3.2
135.11700	49.4
136.12018	1.4
136.42488	1.2
137.06059	1.4
137.09676	2.4
139.07567	1.7
143.08583	1.5
145.10120	30.6
146.10495	1.2
147.04391	1.6
147.08070	2.4
147.11714	2.5
149.09599	1.2
153.12749	2.7
155.08559	1.8
155.10719	3.8
161.09610	1.8
163.11189	66.8
164.11537	2.0
173.04547	1.7
173.09656	2.6
173.11757	15.4
175.11108	1.9
181.12251	11.9
191.10725	2.8
193.12180	1.8
199.13280	8.6
209.11691	5.5
211.13295	1.6
218.12097	1.1
223.13304	1.6
227.12798	100.0
228.13092	2.7
229.14371	84.0
230.14781	1.7
235.58762	1.2
241.14375	4.1
257.13730	2.0
265.14355	2.1
267.15997	7.1
273.18539	1.6
275.19803	1.5
276.20386	1.6
283.15421	63.2
285.16824	1.6
311.14996	3.2
315.17944	12.2
328.38608	1.3
329.41956	1.3
407.24362	2.6
425.25513	4.1
437.25406	91.4
438.25873	3.7
477.28485	1.6
488.82370	1.4
491.26605	1.9
509.27667	2.5
513.67303	1.4
523.28577	2.4
541.30164	3.6
558.34778	1.6
658.41968	1.5
718.23773	1.4
720.38397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59258	1.6
53.03938	6.1
55.01867	6.6
55.05518	24.5
57.03444	12.5
57.07058	2.5
59.05012	11.2
61.02925	2.3
65.03943	2.8
67.05510	83.5
68.69168	1.6
69.03418	5.0
69.07076	12.4
70.06596	2.4
71.05010	8.5
71.50864	1.6
71.51389	2.3
73.02916	4.6
73.46236	1.8
79.05495	39.2
81.03417	18.3
81.06585	2.7
81.07056	37.2
83.04996	8.9
83.08632	18.8
83.12022	1.6
85.02901	5.2
85.06546	4.2
87.04478	10.9
91.04977	2.4
91.05491	26.9
93.07054	42.2
95.04986	11.1
95.08619	43.0
97.02908	9.7
97.06512	7.4
97.10178	5.6
99.04483	10.6
103.05473	2.4
105.04501	2.0
105.07047	15.9
107.04967	15.4
107.08596	32.0
109.02868	2.2
109.06525	4.4
109.10173	55.7
111.04438	3.5
111.08086	4.8
117.07033	13.4
119.08590	15.3
121.06509	9.0
121.10163	13.3
123.08053	2.1
125.05970	1.9
125.09629	6.8
129.07019	4.7
130.07709	2.2
131.08574	6.3
133.10129	6.4
135.07988	3.3
135.11705	45.7
137.05954	1.6
137.09659	3.6
138.18317	1.7
139.03931	2.3
139.07457	1.9
143.08575	4.7
145.09052	2.8
145.10135	30.3
147.04413	2.2
147.11702	3.9
149.09612	2.0
153.12735	1.9
155.08560	2.4
155.10677	5.2
157.10172	2.3
163.11191	60.3
165.12816	2.4
173.09599	3.2
173.10350	1.8
173.11758	20.0
181.12198	11.0
191.10695	1.8
193.12212	3.8
195.11728	2.1
199.11198	1.4
199.13368	5.0
209.11696	2.6
211.13290	1.8
227.12798	96.5
228.13075	2.3
229.14375	79.2
241.14236	2.1
267.15967	12.4
268.16251	2.7
273.18408	2.8
283.15430	56.1
315.17923	8.7
407.24142	2.9
414.15958	1.9
437.25406	100.0
438.25763	4.4
483.30209	2.2
491.26450	2.6
509.27518	3.2
535.12469	1.7
540.33649	4.4
558.34607	2.7
636.87140	1.8
738.42365	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	738.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.2
53.03939	3.7
55.01868	5.4
55.05516	16.2
57.03188	1.5
57.03439	14.2
59.04996	3.2
61.02914	1.7
62.89261	1.2
65.03934	1.7
66.93746	1.3
67.05510	20.0
69.03421	3.5
69.07071	6.5
69.17871	11.3
70.89167	1.0
71.01369	1.4
71.04985	2.8
72.60390	1.3
73.04681	1.1
76.47778	1.2
79.05489	18.5
81.03419	72.6
81.07055	25.1
81.64109	1.0
83.04996	7.3
83.08615	22.6
85.02901	3.7
85.06532	2.6
91.05480	34.2
93.07042	19.1
95.04969	29.0
95.08601	9.5
97.02874	7.9
97.06528	5.0
97.10160	7.5
98.21529	2.3
99.00819	14.3
99.04449	1.3
99.08083	1.5
103.05441	1.9
105.07027	24.8
107.04954	12.9
107.08580	11.3
109.02872	11.6
109.06513	9.4
109.10167	8.0
111.04432	2.6
111.08081	9.5
113.06032	1.3
115.03925	3.1
117.07028	3.4
119.08581	19.8
121.06513	11.5
121.10128	6.3
123.04440	4.5
123.08058	3.6
123.11704	2.2
125.09628	6.9
127.03934	1.9
128.06146	1.3
129.07005	8.4
131.08553	8.5
133.06505	3.9
133.09117	1.9
133.10135	37.4
135.08041	3.2
135.11681	2.4
137.05969	2.1
137.09618	2.1
139.03848	1.3
139.07541	4.2
142.07787	1.5
143.08556	4.4
145.06557	1.2
145.10141	3.2
147.08044	4.0
147.11732	7.8
149.09613	6.0
151.11208	11.2
156.25977	1.1
157.10124	7.9
161.09625	18.6
163.11188	3.3
165.12814	1.7
171.08002	5.5
175.11183	10.4
179.10696	7.7
189.09123	11.6
189.11200	3.7
191.10722	1.3
191.14189	1.4
193.12271	22.5
197.11775	2.9
206.40520	1.0
207.10194	3.9
211.13266	6.1
218.25630	1.1
219.13783	10.1
223.13380	1.8
225.11177	12.3
227.12790	4.5
230.15492	1.7
249.14917	1.6
263.12799	2.3
267.15921	100.0
268.16248	4.0
273.14371	1.3
274.17941	1.1
281.13797	6.7
283.15750	1.6
285.16885	4.2
299.14899	80.9
300.15198	2.4
309.17026	1.3
311.24796	1.1
367.22568	1.5
381.20554	3.2
385.23727	2.2
389.23163	2.3
403.24792	1.4
417.22781	1.9
441.26697	1.2
445.25998	13.1
455.24139	1.5
459.27505	12.6
463.26898	8.0
473.25351	26.9
474.25647	2.0
477.28391	7.4
491.26395	95.4
492.26520	3.6
509.27206	6.0
523.28766	1.4
533.27441	2.4
576.35181	2.1
738.39978	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	737.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.0
55.01859	11.6
55.05518	33.8
56.22929	2.6
56.46314	2.7
57.03423	8.4
57.07067	11.8
59.04996	2.7
59.71335	2.7
59.94342	2.6
65.03931	6.5
66.57740	2.8
67.05510	91.7
69.03436	5.6
69.07075	25.6
71.04982	9.0
71.08614	12.0
71.51144	3.2
71.51544	3.7
79.05499	66.5
81.03419	11.1
81.07063	100.0
83.04986	8.8
83.08625	12.3
85.06554	6.2
85.07661	3.8
85.10187	7.5
85.75904	3.0
91.05485	57.6
93.07048	68.4
95.04964	24.8
95.08614	55.4
96.08941	4.5
97.02882	5.3
97.06536	9.4
97.10159	4.9
99.08098	4.9
105.07044	47.9
107.04939	7.4
107.08607	29.5
109.06537	9.9
109.10171	21.4
111.08067	4.9
113.00002	4.7
113.06001	6.9
115.05462	4.6
116.06242	3.1
117.07027	26.9
119.08591	31.6
121.06499	7.9
121.10141	24.4
123.08075	5.0
123.11686	5.8
125.47690	2.7
128.06195	9.0
129.07002	21.7
131.08583	32.5
133.06529	4.9
133.10138	21.1
135.08098	5.8
135.11670	11.5
137.09644	4.5
141.06990	10.1
142.07774	10.3
143.08546	17.6
145.06503	9.1
145.10135	24.2
147.08009	3.6
147.11697	10.8
149.09578	5.9
149.13287	4.4
151.11183	5.7
153.07033	3.5
154.07813	6.0
155.08549	22.0
157.06532	6.6
157.10179	17.4
159.08054	6.8
159.11671	17.4
161.09583	5.0
161.13242	8.0
163.14804	3.4
165.07011	8.4
166.07771	3.4
167.08572	10.1
168.09352	4.5
169.10098	22.6
171.08087	7.9
171.11691	13.6
173.09608	6.1
173.13301	7.2
175.14841	3.6
179.08533	4.7
181.06410	5.0
181.10129	15.4
183.08083	7.2
183.11742	15.2
185.09621	9.5
185.13278	11.0
187.11208	5.1
193.10051	7.1
195.08084	4.0
195.11703	11.8
197.09581	6.7
197.13200	9.6
199.11162	8.0
199.14822	4.1
207.11723	6.7
209.09630	6.1
209.13281	9.3
211.11230	8.0
211.14807	7.2
213.12755	4.2
219.11763	5.4
221.13257	6.8
223.11292	5.1
223.14809	6.1
225.12843	4.5
227.14304	3.8
231.12007	3.0
236.20604	3.1
237.12787	6.8
239.14427	5.5
251.14514	4.1
255.17450	3.0
261.22073	3.5
271.20529	3.5
275.20114	6.5
291.19604	12.6
295.20425	4.0
313.21844	3.6
314.27539	3.5
321.22192	6.1
323.20010	3.7
323.23679	3.5
325.21332	6.3
327.23352	4.6
335.25873	33.5
337.21503	4.6
339.23294	8.4
349.21613	16.5
357.24146	4.5
367.22702	26.1
385.23688	13.3
441.26089	14.7
459.27405	10.4
481.38873	8.5
482.39264	19.9
540.43402	20.5
625.44385	21.6
647.46588	5.8
648.99188	3.0
677.47650	7.8
683.47101	4.3
689.47498	10.0
701.47784	33.6
702.48108	3.9
719.48834	29.9
737.49982	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.5
55.01863	4.7
55.05513	43.0
57.03428	11.0
57.07060	3.8
59.04986	3.0
60.25584	2.8
60.43641	2.6
61.02932	21.6
65.03934	3.0
67.05186	4.9
67.05512	66.9
69.03434	20.9
69.06786	2.3
69.07079	23.9
70.91442	5.2
71.01319	2.7
71.04990	13.0
73.02893	11.0
77.07835	2.4
79.05068	4.3
79.05495	53.1
81.03429	21.5
81.06592	4.0
81.07060	63.0
83.04977	8.2
83.08629	22.2
85.02917	21.3
85.06544	6.8
88.93209	2.3
91.03952	9.6
91.04976	4.5
91.05489	50.7
93.06498	3.0
93.07056	54.5
95.04961	11.5
95.08611	43.5
97.02890	21.3
97.06521	11.3
97.10182	21.5
99.08105	4.0
103.05437	2.8
105.07041	44.9
107.04955	5.5
107.08609	30.2
109.02873	5.1
109.06512	5.5
109.10162	21.7
111.08096	5.0
115.05447	3.6
117.07030	27.0
117.63267	2.5
119.08596	33.3
121.06518	4.9
121.10129	19.5
123.08082	5.4
123.11699	7.5
125.09646	17.2
127.03880	5.7
128.06227	5.1
129.06998	24.5
130.07796	2.7
131.07703	4.1
131.08583	36.3
133.06522	3.2
133.10126	22.9
134.30861	2.6
135.08064	9.9
135.11673	10.7
136.06580	3.0
139.11215	3.3
141.07022	6.0
142.07793	3.5
143.08578	26.3
145.06490	4.8
145.10123	27.6
147.08040	5.1
147.11703	13.2
149.09657	9.1
155.08527	16.0
156.09425	4.2
157.06496	4.5
157.10135	24.3
159.08049	5.1
159.11711	24.0
161.09634	6.8
161.13223	5.6
163.11224	3.2
165.06982	2.7
167.08534	8.2
167.10727	2.8
168.09244	2.6
169.10173	19.0
171.10300	4.2
171.11687	24.7
173.04453	2.9
173.09660	5.1
173.13298	13.5
175.11171	5.4
180.09312	2.8
181.10120	11.8
183.11746	12.9
185.09604	3.1
185.13258	15.0
187.11165	3.2
187.14832	5.3
189.11162	6.6
189.12723	3.0
195.11661	9.5
197.13275	9.3
199.14857	8.8
201.12799	3.6
209.13208	11.1
211.14909	5.3
213.12772	2.7
221.13228	5.0
223.14886	7.5
225.16667	2.4
225.79575	2.8
227.12636	13.9
229.14287	3.4
235.14900	3.8
237.16414	4.7
271.16721	3.3
273.18668	3.8
275.20084	5.2
283.20471	6.1
285.22043	5.3
291.19717	2.9
297.22336	4.1
299.23764	11.0
301.21844	4.0
321.22134	3.0
335.24017	2.8
339.22992	3.6
351.23538	2.7
353.24387	3.6
357.24106	3.1
366.27353	3.3
415.29782	5.2
417.31625	2.7
421.26050	3.3
433.30841	16.4
443.27832	9.1
451.32336	15.0
469.33069	7.0
471.32297	3.2
499.34262	4.0
507.34607	8.0
517.35284	30.6
525.35803	86.4
526.35950	3.8
543.36890	100.0
544.36841	3.3
557.38672	22.4
575.39465	33.6
623.56165	3.2
679.40137	3.6
687.40399	5.6
705.41205	4.2
719.43396	3.5
737.42773	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	736.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21959	0.5
53.03957	1.3
53.09011	0.5
55.01862	1.0
55.05269	0.8
55.05516	12.1
57.03442	5.2
57.07080	32.6
58.03573	0.6
59.05001	0.7
61.02934	3.0
61.03178	0.5
62.71711	0.5
65.03941	1.5
67.05508	45.7
69.03429	2.2
69.07076	10.3
69.47144	4.3
71.04997	18.5
71.08636	24.1
72.53389	0.5
73.02918	0.6
79.05062	1.0
79.05499	12.2
81.03410	1.1
81.07061	83.2
82.07402	0.6
83.04987	2.5
83.08147	1.0
83.08624	13.0
83.09120	0.7
85.02920	2.1
85.06546	8.9
85.10186	12.8
87.04467	1.1
89.06026	0.7
91.03973	0.7
91.05486	17.6
91.64240	0.5
93.07053	11.5
95.04989	1.9
95.08609	23.8
97.02905	1.2
97.06534	3.6
97.10161	5.0
97.22118	0.6
98.06077	0.5
98.21482	0.8
99.08083	1.1
99.11744	1.0
105.07029	8.5
107.08603	7.7
109.06541	2.1
109.09464	1.1
109.10165	13.9
111.08096	0.8
111.11725	0.7
117.07025	2.1
119.08590	1.6
121.10162	2.4
123.11715	15.3
125.09665	0.7
129.07016	0.8
130.40251	0.6
131.08559	3.8
133.10139	14.0
135.11713	2.0
137.08650	0.5
137.13280	1.1
143.08591	0.7
145.10052	0.6
147.11702	0.7
149.13249	4.0
151.11191	6.7
159.11728	4.3
161.13200	0.7
169.12279	1.5
171.96944	0.5
177.12781	1.7
179.14273	0.7
183.13756	3.2
187.13316	4.5
195.13858	1.4
201.14804	0.5
213.14761	0.7
239.23784	1.8
257.17499	1.7
257.24628	0.7
269.17508	6.2
301.20087	21.3
306.27911	2.6
313.27396	23.6
335.25845	0.6
339.23471	0.6
367.22672	0.9
430.76379	0.6
481.38919	97.1
482.39114	3.2
495.40414	4.2
507.40497	8.1
539.43097	100.0
540.43469	4.6
625.44623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01876	6.9
55.05518	20.6
57.03440	19.3
57.07079	46.8
59.05005	1.8
60.05645	2.7
61.02930	5.6
65.03954	2.8
67.05509	45.4
69.03427	3.8
69.07072	19.0
69.99152	2.9
69.99561	4.2
71.01344	4.0
71.04993	5.0
71.08635	31.0
71.11054	1.3
73.02911	2.2
74.09740	6.5
75.10054	1.6
79.05496	34.6
81.03419	22.4
81.07065	40.2
82.07417	2.2
83.01360	2.0
83.04985	16.4
83.08623	18.3
85.02904	10.4
85.06547	2.8
85.10194	16.7
87.04487	1.8
89.06020	1.6
91.03965	1.9
91.05481	25.9
93.07046	32.2
95.04986	12.2
95.08608	33.2
97.02908	9.7
97.06532	8.1
97.10175	8.4
99.04458	2.6
103.07577	1.7
105.07030	14.4
107.04972	17.0
107.08597	22.7
109.02837	1.9
109.06513	3.7
109.10151	19.9
111.04446	10.4
111.08081	3.6
113.06042	1.5
117.07016	11.5
119.08591	15.7
121.06508	4.3
121.10144	15.7
122.80520	1.4
123.08069	4.6
123.11723	5.8
125.06009	1.8
125.09647	4.5
128.06238	1.9
129.07005	5.8
131.08551	10.5
133.10150	7.4
135.08124	3.4
135.11705	18.9
137.09624	3.7
137.13219	2.0
143.08531	1.7
145.06470	2.7
145.10132	22.0
147.08092	5.4
147.11676	2.5
149.09633	5.4
151.95947	1.6
153.12749	11.0
155.08560	3.1
157.10109	2.1
161.13248	1.9
163.11192	30.2
171.11623	2.3
173.09654	9.1
181.12225	10.3
191.10686	16.7
209.11751	26.5
216.55716	1.5
227.12820	16.7
239.23674	3.1
257.24747	2.1
260.47610	1.6
265.14392	10.2
283.15408	58.5
284.15750	2.4
299.14893	4.0
300.15292	3.0
301.16479	65.8
313.27368	98.7
314.27789	7.1
341.26874	4.7
349.24048	1.4
503.37268	5.3
521.38446	47.4
522.38776	2.3
539.39404	100.0
540.39545	4.5
548.58643	1.7
618.00671	1.9
625.45154	1.7
627.55798	1.5
638.51288	5.5
736.49567	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	735.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.6
54.19925	3.1
55.01877	28.6
55.05511	35.0
57.03426	12.5
57.07069	3.2
58.15194	3.4
61.02926	4.5
65.03924	6.1
67.05505	84.0
69.03426	17.0
69.07067	27.2
69.86777	9.6
69.87191	9.1
71.04963	4.0
73.02921	4.0
79.05495	100.0
79.36617	3.7
81.03421	36.2
81.07057	84.9
82.07396	4.4
83.04983	20.9
83.08604	14.2
85.02884	10.2
85.06536	7.0
91.05484	91.5
93.06482	5.5
93.07050	91.7
95.04960	22.9
95.08163	3.3
95.08618	40.3
97.02888	8.3
97.06529	33.0
97.10170	8.9
98.21423	5.0
99.04451	4.7
99.08148	4.3
105.04492	4.9
105.06402	5.3
105.07037	77.1
107.04956	18.2
107.08604	34.1
109.02887	6.1
109.06516	9.2
109.10161	16.1
111.04451	5.0
111.08103	5.9
113.03121	3.4
115.05400	5.2
117.07024	28.4
119.08600	50.0
121.06523	8.6
121.10168	22.0
123.08055	9.8
123.11708	3.7
125.09641	4.1
127.03912	5.9
128.06210	5.4
129.07002	17.9
131.08583	31.8
133.10141	31.5
135.08043	7.2
135.11682	12.9
137.09645	4.0
141.06972	6.4
143.08577	16.1
145.06488	5.2
145.10110	32.3
147.08008	3.8
147.11713	29.3
149.09605	17.2
149.13199	5.1
151.11154	8.0
155.08615	3.8
157.10091	7.6
159.11719	12.7
161.13295	13.3
163.11160	13.2
169.10162	8.1
171.11694	26.8
173.04489	7.5
173.13297	6.0
175.11217	4.4
175.14827	3.7
177.12775	6.9
179.14320	6.8
183.11691	6.5
185.13184	4.2
187.11165	4.0
187.14758	4.5
189.12746	9.7
197.13287	7.6
207.13803	18.0
225.14772	5.0
227.12677	7.9
239.17862	7.1
257.18958	15.6
259.20605	4.1
267.16113	4.4
275.20117	52.5
281.17477	69.7
291.19641	5.0
349.23697	23.7
377.23111	6.1
459.30823	10.0
475.30606	33.0
537.35248	4.2
539.37335	6.7
555.36804	40.3
573.38226	12.2
619.33923	6.3
735.46661	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	735.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01877	7.1
55.05513	40.2
57.03437	11.9
57.07068	4.7
65.03939	7.2
67.05510	67.5
69.03435	8.3
69.07069	29.9
69.27467	5.2
69.27888	13.7
71.04999	5.0
71.08630	3.5
79.05497	50.7
79.05916	4.0
81.03412	18.5
81.07062	56.7
83.04993	9.0
83.08633	18.4
85.02873	3.2
85.06553	4.5
91.05490	56.3
93.07050	48.7
95.04964	17.3
95.08617	50.9
95.38619	1.8
97.02890	14.3
97.06546	7.0
97.10188	7.2
98.02015	2.0
99.04446	3.1
103.05489	1.9
105.04519	2.6
105.07035	50.0
105.07692	3.5
107.04985	6.8
107.08601	34.8
109.02894	2.8
109.06541	7.9
109.10154	18.5
111.04491	5.3
111.08136	3.6
115.05492	8.3
117.07017	27.6
119.08585	35.3
121.06525	5.6
121.10172	15.2
123.04443	4.5
123.08086	8.1
123.11721	4.0
125.06033	2.8
125.09637	3.1
128.06200	10.5
129.05515	2.6
129.07024	22.0
130.07806	2.0
131.08572	36.2
133.06485	3.6
133.10141	26.8
135.08076	5.6
135.11679	12.0
141.06999	12.7
142.07799	7.6
143.08572	30.1
145.06520	6.0
145.10121	30.4
147.04454	2.4
147.08131	6.6
147.11713	14.7
149.09616	3.5
149.13307	7.3
153.07047	6.8
154.07739	3.5
155.08568	24.8
156.09427	5.2
157.06548	5.8
157.10121	30.9
158.10994	2.1
159.04387	2.1
159.08086	7.6
159.11694	19.7
161.09639	4.3
161.13309	8.5
163.11166	3.1
165.07066	9.7
166.07806	5.2
167.08565	15.7
168.09355	3.5
169.10149	30.6
171.08076	4.4
171.11688	16.6
173.09679	7.0
173.13281	12.7
175.11198	2.8
175.14891	3.7
178.07826	5.2
179.08537	14.5
179.14247	2.1
180.09363	3.6
181.06587	1.9
181.10123	21.7
182.10950	4.8
183.08121	5.2
183.11723	25.0
184.07426	2.4
185.09637	6.6
185.13274	17.7
187.07628	2.6
187.11203	4.5
187.14890	6.5
189.09106	2.3
189.11246	2.3
190.07848	2.3
191.08641	6.6
191.10587	2.6
192.09402	5.9
193.10153	14.4
194.10905	4.1
195.08179	3.9
195.11690	19.5
197.09712	2.9
197.13242	19.3
199.11238	4.1
199.14859	8.9
201.16409	3.4
203.08673	5.1
204.09406	5.9
205.10133	10.1
206.11017	6.3
207.08264	2.6
207.11745	17.8
208.12390	2.9
209.09660	5.7
209.13292	16.6
211.11382	4.1
211.14920	8.0
213.12776	3.3
213.16415	5.1
217.10199	7.8
218.10997	3.1
219.11667	13.6
221.09747	4.4
221.13306	14.5
222.10339	2.4
223.11270	5.0
223.14757	11.9
225.12881	4.6
225.16475	7.5
227.14261	2.3
227.18176	2.9
229.10101	3.4
230.10970	3.2
231.11763	10.1
232.12526	3.1
233.13358	9.0
235.11211	4.5
235.14890	8.6
237.12909	4.1
237.16432	7.2
239.14449	4.2
239.18013	2.6
241.10165	2.4
243.11783	5.6
245.13324	7.4
246.13928	2.8
247.14931	5.7
249.12726	3.4
249.16499	6.1
251.14528	2.8
251.18112	5.7
257.13226	5.0
258.14227	2.7
259.11121	3.0
259.14944	5.9
261.16467	3.4
263.14270	2.8
263.17987	3.6
271.14877	3.0
273.16269	4.4
275.20190	4.4
277.19531	3.1
281.18832	2.5
291.17404	2.6
303.17526	2.4
313.27319	2.9
319.20746	2.7
323.23740	3.0
337.21698	2.8
349.21365	3.7
349.25232	2.5
371.24014	3.1
471.32657	3.1
475.32632	2.2
487.32370	2.4
501.34650	2.5
595.47369	3.0
607.42334	8.5
609.45276	8.1
619.43933	3.3
623.42749	4.6
625.42645	13.8
631.42609	4.3
643.43750	13.0
645.44952	9.0
647.47321	2.3
657.45178	5.0
661.44885	5.1
669.45038	2.9
671.47076	4.6
674.85712	2.2
675.46429	8.8
681.45172	8.8
687.46082	6.8
689.48181	3.5
699.46210	42.9
700.46637	3.0
717.47388	58.6
718.47607	6.6
735.48340	100.0
736.48712	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	735.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	16.1
55.01879	37.3
55.05511	31.2
57.03433	14.0
57.07077	5.3
61.02927	9.8
62.40366	3.0
64.18252	3.4
65.03954	6.8
66.16971	3.1
67.05508	86.0
68.05790	3.8
68.53656	3.9
69.03436	17.6
69.07077	29.7
69.21555	25.5
69.21968	10.7
71.05000	5.1
76.86626	3.2
79.05499	100.0
81.03432	31.1
81.07068	83.4
83.04991	20.7
83.08646	18.2
85.02897	13.2
85.06545	6.7
90.70783	3.1
91.05489	99.2
93.07051	80.6
95.04987	24.0
95.08619	47.2
97.02888	10.4
97.06543	49.7
97.10182	9.2
98.21524	6.9
105.07043	77.1
107.04974	21.3
107.08592	35.6
109.02920	5.8
109.06535	15.3
109.10145	13.7
111.08082	4.3
115.05468	6.1
117.07039	24.6
119.08585	45.3
121.06522	6.7
121.10169	15.5
123.08060	10.1
125.09644	6.1
127.03932	4.8
127.17780	3.6
128.06288	4.9
129.07016	22.6
131.08582	28.5
133.06531	6.2
133.10153	35.8
135.08070	5.1
135.11691	9.2
137.09637	7.6
143.08568	14.5
145.10143	32.3
147.08092	5.3
147.11685	34.1
149.09650	21.7
155.08368	4.2
157.10152	11.3
159.11707	16.7
161.09575	4.9
161.13272	15.1
163.11205	14.3
169.10112	5.0
171.11705	25.2
173.13301	7.3
177.12796	5.5
183.11745	5.3
185.09717	4.3
187.11234	4.3
189.12755	12.0
205.12157	4.1
207.13873	23.6
217.15985	4.2
227.12865	9.5
229.19600	3.4
239.17937	5.1
247.20668	3.3
257.19171	17.1
275.20068	59.8
281.17493	64.9
293.21130	8.0
324.31183	3.7
337.00143	3.1
349.23822	33.8
353.73395	3.3
367.24661	6.3
377.23145	8.3
379.33823	3.5
390.61966	3.6
391.03134	3.6
406.18878	3.3
459.31131	10.8
475.30579	21.9
479.65402	4.2
497.32535	6.5
548.55542	3.6
555.36804	52.8
573.38068	16.4
576.05322	4.9
619.34302	6.5
717.42212	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	735.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.1
55.01876	28.2
55.05515	39.0
57.03446	12.5
61.02924	10.0
65.03941	8.4
67.05511	80.9
67.05878	3.8
69.03417	12.1
69.07076	30.2
70.91618	4.3
71.04996	9.2
73.02924	6.2
73.06558	3.1
79.05502	100.0
79.05970	4.8
81.03429	29.0
81.06588	4.6
81.07065	76.0
83.04991	19.3
83.08628	16.7
85.02905	11.8
85.06545	2.5
91.03951	4.1
91.05489	91.5
93.07050	88.3
95.04980	24.7
95.08612	42.8
97.02925	13.8
97.06532	30.0
97.10161	13.8
99.04446	3.0
103.05391	2.4
104.93935	1.9
105.04529	5.1
105.07040	74.7
107.04976	20.1
107.08608	41.7
109.02895	4.6
109.06518	8.1
109.10160	19.3
111.08070	5.7
115.05468	2.4
117.07037	22.8
119.08591	49.7
121.06503	6.3
121.10148	16.8
123.08055	8.3
125.09628	12.2
127.03919	6.9
128.06244	4.8
129.07008	26.0
130.07681	2.8
131.08574	21.1
133.06494	5.2
133.10138	31.4
135.08078	8.2
135.11687	7.6
137.09622	7.0
141.07001	5.4
143.08585	18.1
145.10164	32.5
147.08104	7.4
147.11691	41.1
149.09654	22.9
149.13205	3.0
155.08568	4.9
156.09381	2.9
157.10172	7.0
159.11694	16.7
159.58943	2.4
161.09641	6.5
161.13278	17.1
163.11191	9.3
167.08662	2.5
169.10207	5.2
171.10231	3.2
171.11670	32.7
172.12175	2.5
173.04391	2.4
173.09705	2.8
173.13232	5.6
177.12770	3.3
179.14282	4.3
181.31143	2.2
183.11679	5.1
187.11237	2.5
189.11198	5.6
189.12791	13.8
193.17755	2.1
195.11819	3.3
199.58846	2.3
207.13806	29.6
211.14786	2.4
213.16449	2.3
227.12796	32.2
239.18047	3.6
247.20589	4.8
256.40118	2.2
257.18945	13.8
265.17792	3.1
273.18484	3.1
275.20078	66.1
281.17502	72.4
291.19687	4.5
293.21030	4.4
305.18164	2.2
325.67392	2.2
349.23813	35.4
377.23312	10.3
435.27493	5.0
445.31454	2.3
451.26920	13.9
459.31219	12.1
475.30936	12.2
507.20905	2.4
537.36182	4.1
555.36823	51.0
556.37360	3.7
573.38129	12.1
619.35107	5.4
717.41443	3.1
735.42407	7.0
758.31396	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	733.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01877	14.8
55.05507	25.0
57.03444	29.7
60.99027	2.8
61.02906	3.3
63.36020	2.8
65.03954	7.9
67.05507	92.9
69.03419	12.4
69.07060	11.7
69.21259	28.8
69.21650	5.6
71.05005	6.1
71.92375	2.8
79.05499	72.7
80.02886	3.0
81.03428	30.3
81.07063	49.1
83.04970	10.1
83.08617	3.8
85.02906	5.0
85.06525	11.0
91.05492	67.7
93.06486	4.2
93.07048	55.7
95.04978	100.0
95.08611	31.2
97.02890	8.9
97.06532	10.2
97.10137	3.3
103.05487	5.7
105.04568	4.3
105.07034	46.3
107.04967	23.2
107.08601	28.9
109.02901	4.2
109.06523	68.4
109.10139	8.5
111.08083	3.8
113.06023	36.8
115.05421	4.3
117.07015	27.8
119.05000	4.5
119.08611	19.2
121.06514	13.0
121.10158	10.7
123.08072	4.6
127.03923	4.7
128.06219	9.0
129.06995	22.5
131.08568	28.5
133.06477	7.5
133.10129	15.2
134.42482	3.7
135.08055	48.9
135.11681	8.5
137.09607	3.2
141.06973	3.9
143.08592	20.3
145.06485	9.8
145.10143	20.5
147.08058	14.4
147.11684	13.9
149.09633	5.4
155.08572	6.7
157.06552	3.9
157.10120	14.0
159.08034	5.3
159.11705	12.9
161.09653	17.4
161.13223	4.9
163.11160	6.8
167.95854	4.1
169.10126	8.8
170.15381	3.0
171.08058	4.1
171.11667	12.4
173.04465	10.6
173.09770	3.3
173.13211	4.0
175.11060	4.0
177.12781	8.3
183.11703	5.6
185.09695	4.7
185.13297	4.6
187.11212	4.8
189.12746	5.2
199.14735	4.0
201.12872	4.4
207.13794	7.8
215.14386	3.7
217.15836	10.7
269.15158	3.7
273.18524	51.0
275.20212	7.3
279.15927	11.7
281.17569	14.8
282.11810	3.3
287.16434	6.0
291.19562	89.2
292.19824	4.5
343.19186	3.3
347.22125	16.4
361.20486	3.3
365.23169	10.5
377.25446	3.3
425.21631	8.0
553.35150	18.8
571.36121	24.9
595.45044	3.2
651.36798	3.1
697.38666	4.9
715.40332	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.8
53.03936	3.1
55.01884	1.8
55.05275	1.0
55.05518	14.8
56.28680	0.8
57.03436	11.8
57.07078	29.7
58.06587	1.4
58.47237	0.8
58.47644	0.8
59.04983	2.3
61.02910	2.9
67.05505	17.1
69.03424	2.0
69.07074	8.2
69.66372	0.9
71.01332	1.7
71.04987	1.5
71.08635	23.0
72.08141	2.3
73.02925	1.4
74.09717	15.4
79.05493	7.7
81.03413	3.8
81.07063	25.8
83.04969	1.9
83.08626	14.7
85.02882	3.3
85.06532	1.6
85.09719	1.3
85.10188	13.3
89.06010	1.7
91.03934	1.1
91.05490	16.8
93.07046	10.8
95.04952	3.5
95.08610	14.7
96.08958	1.1
97.02889	5.5
97.06528	3.4
97.10160	4.1
99.00816	16.1
103.07600	1.4
105.07037	12.2
107.04974	5.5
107.08589	5.7
109.02869	8.5
109.06522	2.4
109.10161	9.9
111.04449	1.4
111.08052	2.3
115.03911	2.0
115.05415	0.9
117.07008	2.3
119.04909	0.8
119.08578	7.7
120.08844	0.7
121.06504	4.9
123.04442	1.5
123.08061	1.3
123.11697	3.7
127.03897	2.1
129.07005	1.4
131.08549	0.8
133.10141	28.5
135.08054	1.0
135.11610	1.4
137.05980	1.4
137.09575	1.0
139.07602	1.4
143.08568	2.8
145.06534	0.9
147.08025	1.1
151.11179	8.6
161.09622	16.5
171.08081	2.6
179.10681	8.4
184.07329	2.7
189.09109	7.1
189.27597	0.9
197.11739	2.8
207.10194	2.7
225.11217	10.6
239.23781	1.7
243.12270	3.2
257.24814	2.8
276.39383	0.8
281.13965	4.0
299.14899	100.0
300.15195	1.4
313.27368	89.8
314.27560	2.0
537.37885	58.8
538.38159	1.9
734.47424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65174	2.3
53.03948	15.9
55.01877	24.7
55.05518	41.3
57.03444	14.4
57.07083	4.0
61.02912	6.7
65.03942	7.3
67.05511	100.0
69.03438	18.7
69.07078	23.6
69.82566	13.6
71.04980	9.8
73.02890	2.7
73.06550	2.9
79.05499	94.0
81.03429	37.5
81.07059	90.3
83.04995	24.1
83.08627	15.7
84.45316	2.8
85.02902	10.6
85.06551	6.8
91.05491	91.9
93.07056	82.4
95.04971	34.5
95.08618	48.0
97.02907	17.8
97.03426	2.9
97.06551	25.6
97.10192	15.4
99.04430	7.0
103.05507	2.8
105.07041	70.7
107.04977	21.9
107.08607	38.5
109.02904	6.4
109.06514	15.3
109.10181	23.9
111.04453	4.6
111.08089	6.0
116.06216	2.7
117.07038	30.3
119.08585	55.0
121.06544	13.3
121.10151	19.9
123.04439	5.4
123.08072	12.0
123.11703	7.3
125.09670	15.8
127.03908	10.8
128.06230	5.1
129.07016	23.0
131.08575	25.4
133.06473	7.9
133.10139	36.5
135.08080	10.6
135.11685	9.2
137.09633	5.3
143.08548	13.3
145.06517	6.2
145.10135	33.3
147.11703	37.1
149.09660	16.9
149.13301	4.7
151.11203	4.2
153.09207	3.5
155.08580	6.3
157.10152	13.6
159.08116	3.1
159.11685	12.4
161.06003	3.6
161.09682	7.6
161.13251	11.3
163.11211	10.3
169.10057	4.4
171.11703	21.8
173.04495	6.5
173.09706	2.9
173.11792	4.7
173.13268	8.1
175.11223	3.1
177.12723	3.4
181.12396	2.6
183.11705	5.4
185.13269	3.9
187.11221	3.0
189.11272	5.5
189.12744	10.7
191.10710	2.9
193.12334	3.3
195.11687	2.7
197.13226	3.7
201.12863	2.9
205.12108	3.5
207.13815	21.1
227.12831	25.6
228.13135	4.9
229.19411	4.7
236.79373	2.9
239.18027	7.1
247.20596	3.5
257.19125	14.4
257.21277	2.5
263.16229	2.5
267.16098	3.7
273.18591	4.2
275.20087	60.4
281.17508	52.5
287.16382	6.4
291.19495	5.1
293.21143	6.1
331.22739	4.0
347.22260	3.2
349.23648	21.7
363.88803	2.9
367.24789	6.4
377.23459	5.7
435.27243	8.5
440.27457	3.1
451.27197	5.6
459.31122	5.0
475.30649	7.0
520.33405	4.0
537.35852	4.5
555.36932	39.5
558.16730	3.0
573.38458	12.2
619.34821	3.6
735.39203	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	729.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01868	0.5
55.05508	1.5
57.03430	2.2
59.05001	0.5
61.02930	4.2
67.05510	4.9
69.03423	3.1
69.07071	1.2
70.06590	0.7
71.04994	1.5
73.02912	2.6
79.05500	3.6
83.04994	0.8
83.08624	1.7
85.02908	5.5
85.06530	1.0
87.04477	0.7
87.28841	0.4
91.03963	2.8
91.05490	3.9
92.80309	0.4
93.07048	3.7
95.04990	1.3
95.08580	2.2
97.02892	3.0
97.06567	1.2
98.95517	0.4
99.04474	1.1
99.08102	0.6
101.02412	2.2
105.07051	3.5
107.04966	0.6
107.08593	2.6
109.02906	1.0
109.06539	1.2
109.10173	2.0
111.08076	0.6
117.07068	0.5
119.04922	0.7
119.08596	2.1
121.06551	0.7
121.10163	1.5
123.04469	1.3
123.11736	1.4
127.03938	1.7
129.07036	0.8
131.08588	1.4
133.10167	1.6
135.08125	0.6
135.11749	1.1
137.09631	0.7
142.16591	0.5
145.10141	0.6
147.04449	1.0
147.11717	5.1
149.09674	0.8
157.10149	1.0
163.11246	0.5
165.12840	1.4
175.11136	0.7
185.04277	1.0
193.12323	1.2
203.05318	0.6
229.14439	0.8
243.08514	2.0
251.12733	0.8
267.16013	0.9
283.15222	2.0
285.16916	0.7
301.24643	0.5
307.14990	0.7
425.21472	0.7
453.21213	0.7
469.20432	10.8
501.22998	4.9
657.29529	0.8
679.33099	5.3
697.33838	1.6
711.35785	2.8
729.36639	100.0
730.36761	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	729.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01874	0.9
55.05506	1.5
57.03433	2.0
61.02938	3.6
67.05505	2.2
69.03426	2.0
69.07075	1.0
70.77076	0.8
71.05001	1.3
73.02935	2.7
79.05508	2.8
83.05003	1.1
83.08630	1.5
85.02919	4.7
85.06536	0.6
87.04445	0.6
90.03439	0.5
91.03967	2.7
91.05482	3.4
93.07030	2.5
95.04968	2.2
95.08608	1.1
97.02895	3.4
97.06551	0.9
99.04467	0.9
101.02396	1.9
103.03990	0.6
104.51196	0.5
105.07040	3.0
107.04967	1.2
107.08620	1.5
109.02914	0.8
109.06527	0.6
109.10142	1.0
111.08068	1.1
119.08608	2.1
121.10161	1.8
123.04447	0.5
123.08061	0.8
127.03903	1.2
129.07042	0.8
131.08583	1.7
133.10138	2.2
142.07848	0.5
147.11661	2.2
149.09645	1.9
157.10178	1.4
157.98151	0.5
165.12823	0.5
165.95842	0.4
175.11266	1.5
185.04251	0.5
193.12262	2.5
223.12987	0.5
225.14966	0.8
243.08400	2.9
249.29564	0.4
251.12462	0.7
267.16040	1.1
283.15179	3.7
341.41055	0.5
469.20514	10.5
501.23053	9.5
582.94183	0.6
614.11981	0.5
657.30743	0.9
729.36707	100.0
730.37054	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	731.1609
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
52.55560	0.9
53.03952	1.3
53.85945	0.8
55.01870	1.2
65.03929	1.5
68.99776	6.5
69.81077	0.8
70.85344	1.6
76.89045	0.8
77.03951	1.2
79.01864	1.5
79.05518	1.0
81.03426	3.1
89.03938	1.3
91.05477	1.0
95.04948	1.8
97.37786	0.9
99.04455	1.8
103.05471	0.9
105.03394	2.2
107.04942	3.6
109.02879	3.9
110.02395	0.8
111.00803	3.8
111.04441	3.5
113.93146	0.9
117.03384	1.5
119.04990	1.4
121.02887	1.6
123.04436	90.5
124.04755	1.0
127.03925	100.0
131.04919	1.3
133.02794	1.2
135.04430	35.2
137.02318	4.1
139.03911	43.9
141.06902	1.6
143.03400	1.0
145.06517	1.1
147.04413	8.8
149.02362	4.0
149.05977	2.1
151.03908	13.0
153.01831	12.2
153.02998	1.5
155.04938	1.4
159.04440	3.9
161.05981	3.1
163.03920	37.8
165.05495	2.5
167.03421	8.7
169.06409	1.4
173.06032	3.7
175.03906	5.8
177.05467	5.1
179.03406	3.9
181.04999	1.4
183.04430	1.1
185.06047	1.2
187.03923	6.5
189.05484	3.4
191.03401	13.8
193.05009	3.4
197.05986	3.4
201.05545	9.1
203.03427	12.3
203.07077	1.6
205.05005	4.2
213.05473	2.1
215.03429	1.5
215.07050	3.3
217.04924	2.2
225.05515	1.6
229.04979	8.4
231.06503	2.5
233.04468	7.3
241.04922	1.7
243.06557	3.7
245.04491	8.9
247.06010	20.7
251.05409	1.2
253.04886	1.4
255.06627	2.1
257.04517	9.8
259.06012	8.2
266.17984	0.8
269.04440	5.7
271.06049	20.6
273.07535	5.7
275.05557	14.8
283.06036	8.2
285.07721	1.2
287.05524	27.7
289.07120	11.2
291.08630	2.5
295.06052	1.3
297.07632	1.0
299.05557	3.5
301.07056	12.3
315.08688	1.5
391.07965	3.7
393.09213	2.0
409.09225	27.1
421.09210	2.6
427.10269	2.9
435.10938	1.8
561.12616	0.9
579.10956	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01868	0.6
55.05508	1.0
57.03437	2.7
59.05014	0.8
61.02930	4.1
62.79457	0.5
67.05505	3.9
69.03423	2.9
69.07073	1.1
70.06570	0.6
70.45686	1.4
71.01344	0.7
71.04994	2.0
73.02906	2.6
76.49326	0.4
79.05502	3.7
83.04998	1.1
83.08629	1.8
85.02905	4.3
85.06604	0.5
86.88529	0.4
91.03968	2.3
91.05489	4.5
93.07030	3.0
95.04962	2.8
95.08630	1.5
97.02898	4.4
97.06537	1.2
97.10198	0.7
99.04505	0.8
99.90269	0.5
101.02389	1.2
103.03983	0.6
105.07008	2.8
107.08626	2.3
109.02907	0.8
109.06508	0.7
109.10191	1.3
111.08099	1.0
119.04964	1.0
119.08583	3.8
121.06569	0.7
121.10168	2.0
123.04453	0.9
123.08085	0.7
127.03926	1.6
129.06970	1.2
131.08588	1.6
133.06491	0.6
133.10199	2.1
134.69566	0.5
135.08087	0.6
137.09659	0.5
139.03925	0.9
145.10162	0.7
147.04434	3.4
147.08055	0.6
147.11710	2.1
148.04807	0.7
149.09691	1.9
157.10175	1.7
162.70952	0.4
163.03969	0.7
175.11226	1.5
193.12254	3.8
211.13362	1.6
243.08348	2.4
251.12529	2.6
253.14325	0.5
267.16107	0.7
283.15274	2.3
307.15292	1.0
339.17947	0.5
342.52640	0.5
347.08847	0.5
469.20419	10.4
470.20200	0.9
501.23129	11.3
511.53009	0.6
622.87256	0.5
647.45911	0.5
657.31152	1.4
697.34308	0.5
711.31995	0.6
729.36658	100.0
730.36981	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	727.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01875	0.9
55.05514	2.5
57.03436	2.0
57.13609	0.4
59.04995	0.7
61.02934	3.9
67.05508	5.3
69.03425	2.7
69.07069	1.4
71.05002	2.6
71.16906	0.5
71.24810	1.0
73.02924	2.3
79.05499	5.0
81.03430	6.0
81.07061	5.3
82.03767	0.7
83.04994	1.0
83.08627	2.7
85.02900	3.3
85.06512	0.6
87.04480	0.8
91.03983	2.3
91.05486	5.0
93.07050	5.6
94.36327	0.5
95.04980	2.7
95.08608	4.5
97.02895	3.6
97.06526	1.1
97.10174	0.4
99.04498	0.7
101.02391	1.3
105.07052	3.3
107.04976	1.5
107.08591	3.8
109.02882	0.9
109.06551	1.6
109.10183	1.4
111.08080	1.0
117.07081	1.0
119.05016	0.6
119.08602	3.0
121.06508	1.0
121.10166	3.0
122.35656	0.5
123.04419	0.6
123.08072	0.6
125.09657	0.5
127.03899	1.1
129.07054	0.8
131.08589	2.0
133.10138	2.9
135.08125	0.6
135.11726	3.5
137.09656	0.6
145.10158	1.9
147.04416	1.3
147.08113	0.7
147.11693	2.2
149.09621	2.5
157.10181	1.4
163.11194	3.8
165.12891	0.8
175.11253	1.0
181.12265	1.1
184.07385	0.9
193.12305	1.7
219.09978	0.7
227.12787	2.7
243.08461	2.6
249.10999	6.4
259.07968	0.5
267.16013	1.6
268.16330	0.7
283.15323	2.0
285.17007	0.6
305.13702	2.4
339.17889	0.7
436.27951	0.8
461.29013	1.7
462.29288	4.3
467.18903	11.1
478.28989	0.5
501.23080	13.0
502.23752	0.6
512.29645	0.6
565.29810	1.0
587.54968	0.5
727.35120	100.0
728.35223	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	728.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49085	4.2
53.03944	9.0
55.01870	6.9
55.05523	28.5
57.03432	23.2
57.07088	4.6
58.08227	3.4
61.42797	3.5
65.03941	6.6
67.05511	80.6
69.03429	4.7
69.07071	26.3
70.10229	15.1
71.01347	4.2
71.05009	4.5
72.53380	3.6
72.87005	3.6
79.05500	84.3
81.03408	9.5
81.07063	64.0
83.04980	16.2
83.08618	15.1
85.02922	5.2
85.06532	6.9
86.09692	7.0
91.05486	70.2
93.07050	100.0
95.04968	11.1
95.08611	32.1
97.06524	16.5
97.10167	15.4
105.07033	74.5
107.08592	58.7
109.10142	22.7
111.08092	5.7
112.33633	3.7
117.07034	20.8
119.08582	50.0
121.10134	23.1
123.11720	3.7
125.00044	5.1
129.07005	10.7
131.08575	22.9
133.10144	43.8
135.11705	64.1
143.08553	12.1
145.10127	31.7
147.11681	43.9
149.13260	14.3
151.11208	5.2
156.27271	3.6
157.10124	10.1
158.71175	4.1
159.11707	21.3
161.09616	3.4
161.13322	22.4
163.11259	5.0
169.10118	6.8
171.11693	9.8
173.11969	4.3
173.13303	13.8
175.14793	8.8
181.12242	17.2
184.07317	18.9
185.13271	8.7
199.14801	5.1
207.09851	3.4
227.12724	4.1
231.21127	5.9
241.19566	25.2
253.14368	14.2
255.15907	77.3
259.20599	72.3
260.20847	4.5
315.23380	4.8
333.24203	48.6
421.31076	8.1
439.32004	7.3
513.35834	65.2
514.36011	4.5
518.28748	4.1
531.36920	20.4
616.49713	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	729.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.3
53.03930	1.4
55.01867	2.3
55.05500	0.6
58.52008	0.4
65.03931	1.6
67.01830	0.8
67.05476	2.3
68.99442	0.7
68.99787	6.1
69.21265	2.0
69.21693	2.9
77.03913	0.9
79.05471	1.4
80.40095	0.6
81.03419	4.1
89.03913	1.1
91.05477	1.2
93.03397	0.7
95.04955	1.8
97.02908	0.6
98.21463	1.0
99.04449	1.3
103.05472	0.9
105.03348	1.1
106.98386	0.5
107.04958	4.1
108.02074	1.0
109.02888	3.6
111.00815	4.2
111.04465	3.5
112.43556	0.5
115.05486	0.9
117.03386	1.3
119.04958	1.6
121.02872	1.7
121.06557	0.5
123.04433	83.3
124.04788	1.0
127.03920	100.0
128.04247	1.3
131.04922	2.8
135.04420	37.0
136.14854	0.5
137.02368	3.8
137.05981	1.4
139.03906	49.1
140.04225	0.7
141.05490	0.8
141.06999	0.9
143.04922	1.3
145.06468	1.1
147.04424	5.6
149.02356	4.9
149.05989	1.7
151.03914	49.0
151.04990	3.3
153.01898	0.7
153.07016	0.7
155.04973	1.0
157.06534	0.8
159.04420	3.6
161.02367	0.8
161.05981	2.9
163.03908	39.5
164.04335	0.8
165.01825	0.6
165.05524	1.8
167.03419	8.4
169.06544	1.5
169.43610	0.6
173.05977	4.2
175.03891	5.2
177.05496	4.2
179.03398	5.0
181.05028	0.6
181.06511	1.2
183.04474	1.7
185.06038	1.7
187.03873	6.7
187.07585	1.1
189.05453	3.7
191.03377	11.9
193.05006	4.2
197.05925	3.3
201.05473	9.6
201.07166	0.8
203.03400	13.7
203.05193	0.8
203.07130	1.8
205.04987	2.4
213.05550	2.3
215.03438	1.3
215.07039	2.8
217.05083	1.6
225.05511	1.3
227.03540	0.8
227.07143	0.5
229.04958	7.2
231.06686	2.2
233.04465	5.1
237.05675	0.6
241.05013	1.4
243.06537	4.9
245.04411	7.8
247.06029	23.4
251.05504	0.7
253.05087	1.9
255.06648	2.2
257.04462	10.0
257.07056	0.6
258.05280	0.8
259.06046	8.2
261.07791	1.6
265.05096	1.2
269.04474	6.5
271.06024	21.2
272.06525	0.7
273.07562	6.3
275.05518	14.0
275.08481	0.8
283.06064	8.5
285.07721	1.5
287.05496	26.7
288.05994	0.8
289.07092	10.9
297.07880	0.8
299.05508	4.1
301.07068	13.4
311.05585	0.7
315.08698	0.7
379.08423	0.9
391.08185	3.1
393.09793	3.2
409.09198	25.5
410.09735	0.6
421.09177	2.6
427.05441	0.6
427.10129	2.3
435.11258	1.6
441.11337	0.6
543.13245	0.7
561.14313	1.0
577.13721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59158	2.9
53.03948	10.3
54.12746	2.8
55.01867	9.5
55.05516	29.7
57.03442	22.9
61.02927	29.7
65.03945	6.0
67.05511	93.3
67.69814	3.3
69.03430	16.4
69.07076	31.7
70.06596	3.3
71.04993	15.7
72.84776	3.0
73.02913	11.4
76.06996	3.3
79.05067	6.4
79.05498	74.3
81.03419	31.6
81.07061	100.0
83.04984	22.0
83.08615	21.6
85.02913	42.4
85.06550	9.1
85.42628	3.2
91.03960	20.5
91.05482	75.5
93.07048	97.3
95.04970	24.5
95.08611	43.0
97.02896	29.5
97.06534	14.4
97.10185	6.1
99.04440	5.7
99.08119	7.4
103.30620	2.9
105.07042	64.0
107.04996	8.8
107.08603	45.2
109.02881	3.6
109.06525	8.9
109.10168	18.4
111.04456	4.8
111.08092	7.4
117.07016	17.5
119.04949	6.6
119.08586	45.6
121.06496	8.8
121.10161	29.3
123.04392	4.5
123.08120	4.9
123.11713	12.8
125.09611	4.0
127.03941	12.6
129.05536	3.3
129.07010	10.5
131.08559	26.4
133.10136	47.2
135.08066	10.3
135.11705	26.6
137.09666	5.7
139.11143	3.1
143.08629	8.6
145.04944	10.1
145.10107	16.6
147.04417	13.7
147.11717	30.0
149.09654	12.8
149.13271	33.6
151.11197	7.2
157.10152	14.2
159.11720	24.5
161.13277	19.2
163.06017	7.1
163.11224	11.0
171.11703	12.7
173.11743	4.1
173.13292	10.1
175.11200	7.1
175.14780	5.2
177.12756	9.7
183.11624	3.0
185.13309	6.3
189.12798	3.0
190.99873	2.8
193.12280	11.1
195.13799	9.3
199.14862	6.5
211.13333	8.7
214.21455	3.3
229.14323	4.4
231.21257	3.8
239.18150	4.0
241.19534	12.3
243.15894	3.2
257.19034	4.1
259.20538	28.0
267.15939	8.3
269.17508	62.3
275.20090	18.4
285.16858	4.6
301.20233	4.8
333.24258	5.6
349.23804	19.0
351.25266	62.8
435.27151	4.2
453.28696	17.1
457.97540	3.5
461.28897	12.1
477.28577	4.4
478.28821	4.0
479.30115	11.2
495.29025	3.9
511.33124	20.2
650.82593	3.1
727.35187	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	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70210	0.8
53.03947	4.5
53.53276	0.8
55.01869	1.7
55.05514	16.3
57.03439	11.9
57.04026	1.0
57.07067	2.8
61.02921	3.1
65.03941	3.4
67.05511	66.3
69.03409	2.2
69.07077	17.8
69.26062	5.1
69.26488	3.3
71.04993	2.6
71.08639	1.7
73.02914	0.9
79.05499	45.4
81.03405	2.0
81.07063	68.9
82.07396	1.2
82.99506	1.0
83.04967	3.7
83.08630	10.5
85.02896	3.2
85.06541	2.5
86.09702	2.3
91.03931	1.6
91.05480	22.5
93.07049	58.0
95.04969	4.3
95.08616	35.1
95.09123	0.5
95.09253	1.1
97.02888	2.3
97.06544	8.7
97.10212	2.0
99.08082	1.9
105.04571	1.1
105.07040	12.2
106.28246	0.9
107.04882	1.3
107.08599	30.1
109.06558	2.3
109.10174	13.4
111.08076	3.6
113.09666	1.2
117.07022	7.0
119.06117	1.1
119.08595	8.7
121.06519	1.2
121.10155	21.6
123.08096	1.2
123.11719	3.3
125.00021	2.4
125.09672	0.8
131.08592	11.1
133.10167	9.9
135.08052	1.3
135.11693	11.4
137.09605	1.2
139.11168	1.1
145.10153	5.3
147.11685	5.3
149.13277	20.1
159.11687	12.8
161.13255	2.5
163.14824	2.4
173.13240	2.3
177.12724	4.3
184.07367	10.8
195.13803	7.6
243.21129	2.4
261.22180	10.0
267.15924	1.5
269.17490	51.0
270.17816	1.2
317.24762	2.0
335.25821	53.9
336.26169	1.4
356.42679	1.0
437.33691	1.3
455.35361	0.9
529.38910	100.0
530.39490	4.4
547.39264	1.1
704.40887	1.2
726.45056	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	725.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01870	1.1
55.05518	4.0
56.05847	0.6
57.03441	3.1
59.05004	1.4
61.02929	4.2
61.92875	0.4
65.03941	0.8
67.05506	9.5
68.05837	1.0
69.03438	3.2
69.07072	2.8
70.25774	1.3
71.01368	0.6
71.05005	2.6
73.02913	2.8
79.05499	8.7
80.05838	0.6
81.03424	4.9
81.07062	9.6
82.07394	1.2
83.04984	2.1
83.08613	2.9
85.02896	4.6
85.06551	1.4
87.04482	1.4
91.03963	2.7
91.05482	8.5
92.05836	0.4
93.07048	7.9
94.07387	0.6
95.04981	2.7
95.08605	4.4
97.02894	4.8
97.06526	1.9
97.10197	1.3
99.04494	1.5
101.02404	1.6
105.07024	4.3
107.04968	1.9
107.08610	3.9
108.08942	0.7
109.02889	0.8
109.06542	0.9
109.10130	2.9
111.04440	0.5
111.08088	1.3
112.08408	0.5
117.07045	1.4
119.05042	0.4
119.08592	3.3
121.06518	0.7
121.10138	2.5
123.08088	1.0
123.11723	1.0
125.09684	0.5
127.03938	1.4
129.07045	1.1
131.08614	2.7
133.06416	0.5
133.10147	2.8
135.08028	0.8
135.11717	1.5
136.12070	0.4
137.09682	0.5
143.08597	0.8
145.10173	1.5
147.04454	1.3
147.08022	0.8
147.11671	2.7
149.09660	2.0
149.13232	0.9
151.11252	1.0
157.10168	0.8
159.11743	0.5
161.13277	0.5
163.11259	1.1
167.07043	0.4
171.11771	1.4
173.11771	0.7
175.11226	0.8
177.05626	0.5
189.12732	0.5
191.10835	0.5
193.12277	2.0
195.13852	0.7
199.13470	0.7
211.13329	0.5
227.12877	1.3
229.14442	1.8
230.14818	0.6
243.08389	3.2
247.13118	1.1
253.14156	0.5
267.16049	1.2
269.17581	1.8
270.17947	1.3
281.17737	0.5
283.15228	4.5
290.91568	0.4
303.15817	0.7
339.17801	1.4
411.27338	0.5
412.27963	0.6
423.27545	1.6
424.27713	3.3
451.27206	0.7
452.27536	1.2
465.21008	11.5
469.21008	0.6
469.50662	0.5
470.31482	0.5
501.23102	8.6
725.37207	100.0
726.37469	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	724.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98161	0.7
52.71801	0.7
52.72437	0.7
53.86450	0.8
54.06874	0.8
55.01864	2.4
55.05516	11.4
57.03442	9.2
59.04994	0.7
61.02913	1.1
65.03946	1.2
67.05507	20.0
69.03426	3.5
69.07073	4.1
69.51760	4.0
69.52168	1.6
71.04991	2.3
72.96106	0.8
73.02907	0.9
79.05062	1.4
79.05495	16.3
81.03420	59.3
81.07060	17.3
83.04995	9.4
83.08623	20.8
83.09116	1.0
85.02909	8.7
85.06559	1.4
91.05487	18.9
93.07054	12.9
95.04975	20.8
95.08610	6.5
97.02905	3.1
97.06521	2.6
97.10162	5.7
98.20808	1.5
98.21448	1.4
105.07041	14.0
107.04968	6.9
107.08601	6.9
109.06528	3.1
109.10157	5.2
111.04448	2.6
111.08081	7.8
113.06022	1.6
115.05450	1.3
117.07019	2.1
119.04971	1.4
119.08586	14.0
121.06510	3.5
121.10141	7.9
123.08075	2.4
123.11730	1.8
125.09637	5.3
129.07014	8.1
131.08569	9.1
133.06505	2.9
133.10130	6.1
135.08054	2.0
135.11723	1.5
137.09636	1.7
142.07774	1.9
145.06465	1.7
145.10136	2.7
147.08061	2.8
147.11705	11.3
149.09654	5.3
151.11104	1.3
153.09122	1.1
157.10144	9.4
159.08064	1.1
161.09676	1.5
163.11188	3.2
165.12817	2.5
171.11734	0.8
173.09752	0.8
175.11191	11.6
189.11205	2.1
193.12256	28.5
209.11714	1.3
211.13283	20.5
213.12775	1.2
224.99455	0.8
227.12791	2.4
229.14294	1.2
233.15384	2.0
249.14828	1.8
267.15933	43.1
268.16397	1.2
269.16180	0.8
273.14859	2.2
283.15274	1.7
285.16974	22.5
289.18155	0.9
301.16739	1.0
349.21701	2.3
367.22595	5.0
385.23624	12.5
403.24881	5.5
441.26581	3.5
453.27875	0.8
459.27444	56.0
460.27829	2.4
475.27640	0.8
476.27252	1.3
477.28494	100.0
478.29059	3.5
495.29691	2.6
527.28595	2.8
603.31836	1.3
691.91016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01871	2.7
56.55582	1.2
57.03434	2.2
62.70301	1.1
65.03934	2.9
68.99789	8.8
69.03420	4.0
70.01225	5.8
71.04980	4.4
79.05489	2.3
81.03409	3.5
85.02918	12.6
91.05482	9.0
92.70914	1.2
95.04999	5.9
97.02891	4.1
100.00256	1.3
104.90195	1.2
105.07015	2.2
107.04963	100.0
108.57668	1.1
109.02831	2.5
111.00790	4.4
111.04430	2.5
119.04948	62.9
119.38548	1.1
121.02871	10.0
123.04431	46.5
127.03920	13.5
131.04915	2.8
131.08562	1.2
133.06512	9.6
135.04414	7.9
137.02338	2.7
137.06026	1.8
139.03911	45.1
145.06508	15.6
147.04420	66.3
149.02371	8.3
149.06024	1.5
151.03903	25.5
153.07024	1.7
155.03401	1.6
157.06483	6.0
159.08017	2.0
161.05984	8.5
163.03925	14.5
165.05496	7.1
165.06723	1.2
167.03418	16.5
169.06456	2.1
171.04405	13.8
171.08105	1.2
173.06007	2.1
175.03972	3.4
177.05470	3.7
179.03397	11.7
181.04987	1.6
181.06441	2.9
183.08141	1.1
185.06033	7.9
187.03897	4.4
187.07545	4.7
189.05482	14.9
191.03403	17.7
193.04961	4.4
197.05992	2.4
199.07532	5.0
201.05431	4.8
203.03397	9.1
205.04965	3.4
207.06494	2.5
213.05521	8.2
215.03584	1.6
215.07059	4.8
217.04999	1.5
227.07021	6.5
229.05002	6.2
231.06529	48.7
233.04492	8.5
239.06984	4.3
243.06544	14.9
245.04451	6.0
245.08101	5.7
247.05969	3.0
251.05530	2.1
255.04047	1.8
255.06534	23.0
257.04532	14.7
257.08047	7.3
258.05194	1.3
259.06039	1.7
267.06512	11.9
269.04474	5.3
269.07925	2.9
271.06067	3.3
273.07590	87.3
274.07813	2.2
275.05533	20.8
281.08020	1.3
283.05942	2.0
285.07581	25.1
287.05527	22.3
289.06985	3.0
291.08612	15.9
297.07559	2.8
299.05356	6.0
301.06998	1.7
303.08688	2.8
315.08563	1.7
325.07083	1.7
375.10556	2.4
393.09674	13.8
395.11395	3.5
399.10843	1.7
409.08969	11.9
411.10956	10.7
417.11819	2.1
427.10184	4.7
435.12622	1.8
437.12350	2.6
534.10168	1.2
684.38019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
55.05516	12.2
57.03445	10.8
58.29994	0.9
58.43456	1.0
60.51825	1.1
60.93909	1.0
65.03960	1.2
67.05515	15.8
69.03432	2.8
69.07074	3.9
69.42079	2.8
69.42496	4.7
70.74183	0.9
71.04995	2.7
73.55560	1.0
79.05502	17.6
81.03426	76.5
81.07067	16.8
83.04997	7.6
83.08622	20.6
85.02902	8.4
85.06551	1.7
91.05493	22.2
91.06036	2.2
93.07057	11.4
95.04971	23.9
95.08617	6.3
97.02890	1.8
97.06533	3.3
97.10198	5.9
98.21485	2.3
105.07032	16.3
107.04969	6.2
107.08614	5.5
109.06513	4.2
109.10183	3.1
111.04425	2.2
111.08093	8.3
115.05479	2.5
117.07026	2.7
119.08589	12.5
119.15087	1.0
121.06530	3.2
121.10117	6.2
123.08062	2.6
123.11685	1.4
125.09645	4.0
128.06183	1.5
129.07011	8.2
131.04901	1.3
131.08582	8.4
133.06528	3.4
133.10135	6.2
135.08080	1.8
137.09579	1.6
139.11179	1.0
142.07780	2.0
145.06497	4.1
147.03015	0.9
147.08104	3.5
147.11711	9.0
149.09636	6.6
155.08575	1.4
157.10126	11.2
163.11128	1.6
165.12793	2.8
173.13228	1.4
175.11182	10.8
189.11336	1.1
193.12265	29.8
211.13318	13.1
229.14291	1.3
233.15347	1.4
249.14861	1.5
250.75420	1.1
255.13777	2.0
267.15945	100.0
268.16229	1.2
273.14880	4.8
285.16998	14.3
287.16461	1.5
349.21640	2.8
367.22751	11.4
385.23773	9.7
403.24799	1.6
415.24759	1.7
433.25903	14.1
441.26501	6.3
459.27466	67.7
460.27542	2.5
477.28558	44.8
519.29681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97724	0.6
55.01875	1.3
55.05516	6.1
57.03442	7.4
66.53453	0.6
67.05508	16.5
69.03408	1.4
69.07078	5.9
70.56348	2.3
71.04999	2.2
78.20609	0.7
79.05494	11.5
81.03423	36.5
81.07060	34.5
83.04993	4.4
83.08621	10.8
85.02901	1.0
85.06536	2.7
91.05489	15.7
93.06567	0.9
93.07063	9.9
95.04974	10.4
95.08617	7.3
97.02912	1.6
97.06530	3.6
97.10172	2.0
98.21185	1.4
99.04511	0.8
99.08051	1.4
101.06052	0.8
105.06315	0.9
105.07035	17.9
107.04961	2.4
107.08614	6.5
109.06507	3.2
109.10168	2.3
111.04472	0.6
111.08079	4.2
115.05440	0.9
119.08591	15.1
121.06548	1.2
121.10146	10.5
123.08078	2.2
123.11714	13.6
125.09626	0.9
127.07569	1.3
129.07016	4.2
131.08562	3.9
133.06456	1.2
133.10114	3.7
135.08128	1.0
135.11690	1.6
137.09618	1.1
137.13290	0.8
138.10106	0.6
142.07858	1.1
145.10133	1.8
147.04405	0.8
147.08096	1.2
147.11694	31.9
149.09608	2.6
149.13263	0.7
151.11198	0.8
157.10136	5.4
163.11183	2.3
165.12766	12.0
173.11804	1.0
175.11185	4.2
183.13788	1.3
193.12248	15.9
209.11743	1.1
211.13309	2.9
227.12840	0.7
229.14388	3.7
235.13403	0.8
267.15930	100.0
268.16217	2.1
269.17438	1.0
283.15536	1.1
285.16980	47.9
301.16663	0.9
459.27539	7.1
477.28500	53.5
478.29013	3.1
495.29285	1.8
519.29224	1.3
527.31573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01852	3.4
55.05514	26.5
57.03434	10.8
57.07079	4.0
59.05005	2.9
63.91008	1.8
65.03927	3.5
67.05508	81.3
69.03436	11.5
69.07075	17.6
70.93878	1.6
71.05000	22.2
71.08627	4.3
79.05495	47.5
81.03415	23.1
81.07062	100.0
83.04980	19.5
83.08620	11.8
85.02913	4.0
85.06556	7.5
87.04484	2.9
91.05482	46.7
93.07055	45.5
95.04958	8.2
95.08611	38.0
97.02890	7.0
97.06529	6.7
97.10154	4.7
99.04464	4.0
99.20010	1.8
105.07038	31.3
107.04967	3.7
107.08610	21.5
109.02911	2.3
109.06501	4.5
109.10152	17.2
111.04486	3.2
111.08074	4.5
112.99957	3.5
115.49947	1.9
117.07037	9.3
119.08591	16.4
121.06509	2.2
121.10146	16.2
123.08045	4.1
123.11704	12.6
125.09621	2.6
127.03896	2.7
129.05463	6.3
129.07016	7.1
131.08580	15.2
133.06499	2.4
133.10133	23.1
135.08113	2.3
135.11687	8.8
137.09583	2.1
143.08551	4.9
145.10159	10.1
147.11731	11.0
149.09593	3.5
149.13257	6.0
151.11177	8.9
155.08485	2.1
157.10172	6.2
159.11703	10.9
161.13268	5.1
171.11716	4.6
173.04445	4.7
173.13280	6.0
175.14835	2.1
177.09180	2.1
177.12720	4.6
179.14326	3.9
183.11620	2.5
183.13863	3.4
184.07352	3.3
185.13268	4.0
187.13321	7.0
193.12257	3.1
195.13861	4.7
201.14807	4.7
203.90373	2.0
220.21643	2.2
243.15924	4.3
257.17465	3.2
269.17480	6.4
277.21643	5.7
281.17676	2.5
291.19611	4.6
299.18655	2.1
303.23145	2.4
313.27664	2.0
314.27533	2.8
317.24719	2.4
335.25848	20.7
337.27475	4.0
349.51813	2.0
375.24448	2.1
497.66620	2.1
503.37347	38.6
505.38812	9.4
517.38940	2.8
529.39160	11.0
561.41595	21.0
611.46844	20.2
673.42810	4.5
705.45172	6.1
723.44562	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	724.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01876	6.3
55.05514	22.7
57.03233	1.0
57.03445	10.7
59.04999	2.1
61.02932	7.1
65.03929	3.3
67.05508	44.8
69.03414	8.0
69.06723	2.0
69.07072	21.9
71.01357	1.7
71.04998	8.2
71.51255	1.9
79.05500	35.5
81.03427	24.2
81.07060	47.4
83.04982	9.9
83.08625	16.4
85.02904	10.3
85.06531	4.5
91.03970	2.9
91.04980	2.1
91.05493	29.6
92.38824	1.1
93.06481	2.2
93.07050	34.9
95.04964	14.9
95.08614	18.3
97.02895	11.0
97.06538	7.1
97.10164	13.6
99.04440	2.7
99.08109	1.4
103.05518	1.7
105.07037	23.8
107.04964	13.0
107.08598	25.2
109.02890	1.3
109.06516	4.5
109.10160	20.8
111.04453	5.4
111.08091	5.2
115.81933	1.2
117.07054	7.2
119.04929	2.5
119.08591	15.5
121.06503	4.2
121.10136	12.0
123.04432	2.9
123.08066	5.1
123.11707	4.8
125.09616	11.0
128.06213	1.3
129.05518	2.5
129.06998	6.0
131.08594	12.9
133.06519	3.4
133.10129	16.4
135.08055	5.8
135.11716	10.2
137.09641	2.8
139.07579	1.7
143.08586	3.7
145.10141	10.7
147.04434	2.6
147.08061	5.0
147.11684	8.1
149.09624	3.8
149.13249	4.6
151.11151	8.0
155.08574	1.8
157.10179	6.3
159.11728	4.7
161.09619	3.4
163.06029	1.4
163.11183	10.9
165.12750	1.3
173.09676	4.4
175.11174	6.0
177.12715	1.3
181.12283	2.3
184.07364	4.2
185.13301	1.6
189.11255	3.3
189.12756	1.3
191.10695	3.3
193.12263	10.2
209.11749	5.6
211.13208	5.7
223.13266	10.4
227.12794	9.4
229.14334	5.2
233.15404	3.5
245.19032	3.5
249.14859	2.6
253.14346	6.3
257.17456	1.5
265.14325	5.2
267.15936	16.5
269.17386	3.8
271.15405	5.3
273.18533	10.4
283.15564	7.6
285.16986	19.2
291.19556	50.7
299.14981	1.5
301.16440	5.0
301.19803	2.7
347.22098	3.0
365.23245	100.0
366.23309	2.5
385.23685	3.5
451.26852	7.5
459.27353	12.8
463.26797	1.4
465.28543	1.7
469.28030	4.5
477.28452	25.3
483.29968	1.4
495.29483	15.3
509.30551	4.0
527.27722	7.9
621.33002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.4
53.31980	2.4
55.01865	7.5
55.05513	25.5
57.03435	10.6
61.02924	5.9
67.05508	65.4
69.03421	10.9
69.07080	20.6
71.04999	4.8
71.08638	6.2
72.13090	2.2
72.88969	2.5
73.02925	5.1
79.05492	53.1
81.03422	18.9
81.07060	100.0
83.04992	15.4
83.08636	12.9
85.02929	9.5
85.06539	8.0
91.03956	3.9
91.05489	62.1
93.07058	47.2
95.04993	13.3
95.08621	32.3
97.02879	7.6
97.06524	8.0
97.10207	4.8
99.04447	2.9
99.08097	10.8
101.06059	3.2
103.05434	3.8
105.07036	61.1
107.04969	6.5
107.08607	31.5
109.02906	3.6
109.06521	8.7
109.10153	12.2
111.04436	4.0
111.08108	5.2
115.05390	2.9
117.07014	15.2
119.08588	52.2
121.06459	3.1
121.10153	33.2
123.08073	5.2
123.11733	21.2
127.03938	5.0
129.06995	8.9
131.08568	21.7
133.10138	29.2
135.08049	5.2
135.11678	14.1
138.34018	2.6
140.72630	2.7
141.06996	4.5
143.08585	11.1
145.10143	18.0
147.11699	67.9
149.09641	6.0
149.13271	10.3
151.11212	4.2
155.08643	3.2
157.10152	10.9
159.08051	3.3
159.11745	10.9
161.09639	2.5
161.13287	19.0
165.12746	23.3
169.10158	4.1
171.11708	7.7
173.13309	8.3
175.11221	4.9
175.14873	9.3
177.12776	5.3
179.14278	16.2
183.11821	3.0
183.13759	2.6
184.07361	2.5
185.13329	9.0
189.12917	2.8
193.12274	7.3
197.13332	3.4
199.14801	3.8
211.13315	5.6
213.16345	2.4
229.14409	7.0
231.21138	3.2
241.19592	17.0
259.20566	41.8
267.15863	29.1
269.17542	3.7
275.20023	6.7
277.21658	18.7
283.33569	2.5
285.16983	54.2
291.19681	3.4
333.24286	31.6
339.22998	3.4
339.68951	2.8
351.25424	15.0
366.14417	2.5
367.22653	4.6
413.17505	3.8
429.20856	5.5
465.20938	4.4
525.35681	5.3
543.36835	29.9
561.37939	17.5
637.32056	34.4
705.42603	11.8
723.38898	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	722.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
53.86489	1.1
55.01872	3.1
55.05514	17.8
57.03426	5.8
57.07079	33.0
59.04995	2.9
61.02935	3.8
65.03937	3.0
67.05507	79.6
68.05820	1.3
69.03403	1.2
69.07076	15.9
71.04997	20.3
71.08636	28.1
72.45488	1.2
73.02916	1.6
79.05497	22.4
81.03403	1.4
81.07058	33.3
82.07405	2.4
83.04993	3.1
83.08616	13.3
84.69710	1.2
85.02905	4.2
85.06534	3.9
85.10184	12.7
86.09753	1.6
91.05484	20.9
92.05799	2.1
93.07049	23.3
94.07381	1.7
95.04963	3.2
95.08616	35.5
97.02905	2.0
97.06546	5.9
97.10175	5.0
99.08082	2.5
105.07030	11.6
106.07364	2.1
107.04962	2.3
107.08588	15.1
108.08952	1.9
109.10163	68.7
110.10536	1.1
111.08102	4.1
111.11681	1.2
113.00024	6.5
113.09682	1.1
117.07018	4.1
119.08590	13.9
120.08939	2.0
121.10116	8.1
123.11727	2.9
125.00095	1.7
125.09636	1.7
128.06250	1.4
129.07025	2.6
131.08583	5.4
133.10095	5.7
134.10536	1.6
135.11684	11.7
136.12004	1.4
137.09631	10.8
137.13240	2.6
142.07828	1.6
143.08585	2.9
145.10114	7.6
146.10429	1.9
147.11720	3.6
149.09694	1.7
151.11189	1.8
155.08527	1.4
155.10710	4.8
157.10150	3.7
159.11728	1.5
160.21404	1.2
161.13277	1.9
163.11137	3.4
169.10211	1.4
170.10403	1.4
171.11787	1.3
171.21695	1.1
173.11742	6.6
173.13187	2.0
174.13603	1.8
179.14299	2.7
181.10059	1.2
181.12241	1.8
183.11630	1.5
184.07388	4.4
187.14781	1.8
199.14801	1.8
211.14813	1.4
218.68095	1.4
239.23686	2.1
241.19289	1.3
243.15967	3.2
255.15929	4.7
275.20093	3.4
276.20404	1.5
277.21606	3.3
278.21866	1.3
287.18539	22.0
313.27396	20.1
353.84192	1.4
467.37369	100.0
468.37823	3.6
481.38989	4.3
493.38940	4.0
512.37421	1.4
525.41528	80.6
526.41766	3.3
536.41766	1.6
554.43085	2.6
592.44415	2.8
609.45465	2.4
610.36230	2.0
610.45465	29.5
611.46234	5.2
634.03217	1.4
704.44537	2.2
722.45264	2.7
731.23468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4292
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
50.87058	0.3
52.07521	0.3
52.77134	0.2
53.03935	0.8
54.11643	0.3
55.01861	0.8
55.05512	2.4
57.03437	1.4
57.07077	3.6
61.02928	3.7
67.05507	4.1
69.03427	2.6
69.07069	1.7
69.26646	2.5
71.01346	0.4
71.04980	0.5
71.08643	3.3
73.02921	2.8
79.05496	3.0
81.03428	1.4
81.07055	4.6
83.04967	0.4
83.08646	1.4
85.02897	3.2
85.10191	1.1
86.09708	0.9
91.03951	2.1
91.05461	2.0
92.78355	0.3
93.07052	3.9
95.04986	0.7
95.08605	4.8
97.02895	3.1
97.10184	0.9
98.13145	0.3
99.04453	1.0
99.08112	0.5
101.02392	1.4
103.11783	0.3
105.07045	1.2
107.04957	0.7
107.08600	2.0
109.02901	0.5
109.06525	0.4
109.10171	1.2
111.08045	0.3
113.00047	0.9
115.03924	0.4
117.07034	1.2
119.08608	1.3
121.06508	0.6
121.10157	1.1
123.08084	0.3
123.11732	0.6
124.99979	0.7
125.05907	0.3
127.03936	0.9
131.08563	0.8
133.10155	1.2
135.08058	0.3
135.11707	3.0
143.08571	0.5
145.10117	2.0
147.11745	0.5
159.11761	0.4
161.13417	0.4
163.11197	3.9
173.13277	0.3
181.10553	0.3
181.12268	0.8
184.07339	3.1
185.04280	0.9
185.07703	0.6
203.05405	0.4
204.57043	0.3
219.09894	0.5
227.12794	3.2
239.23953	0.3
243.08411	2.6
249.11005	8.6
275.20114	0.6
277.21738	0.8
305.13617	2.0
313.27591	0.7
340.77670	0.3
374.13974	0.3
467.18906	11.1
468.19397	0.3
497.30899	6.1
497.37888	0.4
561.37781	0.6
611.46954	5.3
723.42877	100.0
724.43121	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	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
54.93922	2.0
55.05516	21.9
57.03426	8.1
57.07082	2.0
65.03925	3.5
67.05508	59.6
69.07072	13.9
77.03900	2.1
79.05496	68.5
81.03416	6.6
81.07059	64.5
83.04986	10.1
83.08601	7.2
85.06524	2.8
91.05489	53.1
93.07048	67.5
95.04958	11.3
95.08065	3.3
95.08614	41.7
97.06543	2.3
97.10172	5.3
105.04503	3.4
105.07040	31.7
106.07365	2.2
107.04942	4.6
107.08598	24.5
109.06526	4.8
109.10143	10.4
114.27850	1.9
117.06992	9.0
119.08587	18.2
121.06485	2.4
121.10151	14.7
123.08091	3.1
123.11675	3.5
128.06253	2.5
129.07037	12.3
131.08578	8.8
133.10161	12.7
135.11694	6.5
143.08580	4.2
145.10110	10.3
147.08009	2.2
147.11688	25.7
149.13176	3.2
159.11653	2.8
161.09615	4.0
161.13263	7.7
171.11702	17.6
189.12753	5.5
207.13808	18.4
261.22070	5.2
281.17514	33.7
300.28848	2.2
317.24777	2.8
323.83655	2.1
335.25821	55.5
336.26294	2.8
477.22003	4.1
482.50098	2.1
524.39594	2.0
541.38892	100.0
542.39056	8.1
624.29156	9.5
743.81079	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	722.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01877	2.6
55.05304	0.7
55.05515	7.7
57.03441	9.9
59.15822	0.7
65.03948	1.6
67.05180	1.1
67.05510	14.1
69.03419	2.3
69.07082	3.9
69.38641	5.1
69.39048	1.7
71.04980	2.6
73.02898	0.8
79.05074	1.4
79.05500	19.5
81.03425	48.9
81.07060	16.9
83.04975	6.6
83.08624	12.4
85.02916	1.5
85.06565	1.1
89.38799	0.7
91.04974	1.3
91.05488	14.5
93.07050	28.2
95.04979	17.8
95.08613	24.7
97.02884	3.5
97.06523	2.7
97.10178	2.2
99.04449	3.1
105.07032	10.0
107.04966	7.4
107.08603	17.7
107.35295	0.8
108.01686	0.8
109.06497	2.9
109.10134	2.6
111.04442	3.1
111.08062	3.8
113.05978	1.3
115.05441	1.0
117.07011	7.1
119.08593	13.2
121.06535	5.5
121.10148	11.5
123.08050	1.0
124.82504	0.8
125.05990	2.1
125.09611	0.9
129.07004	5.0
131.04953	0.8
131.08562	6.1
133.06477	1.8
133.10115	4.9
135.08110	1.3
135.10704	1.8
135.11707	30.7
137.09657	1.0
142.07771	1.5
145.09055	1.5
145.10127	18.8
146.10446	1.2
147.08023	0.9
147.11678	4.7
149.09633	2.9
153.12648	0.9
157.10135	5.3
163.11189	40.8
165.12727	1.6
174.39647	0.7
175.11130	5.6
181.12268	8.4
193.12253	13.2
209.11667	2.1
211.13275	2.9
227.12793	43.8
249.14917	1.6
267.15930	94.5
268.16293	3.0
283.15405	56.6
284.15750	1.0
475.26950	100.0
476.27283	4.2
493.28192	1.5
507.29337	1.8
525.30756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.7
54.08437	2.0
55.01885	5.1
55.04528	2.0
55.05514	26.1
57.03432	10.4
67.05515	81.7
69.03439	3.9
69.07080	20.0
69.17439	17.5
69.17865	7.4
71.04977	5.0
73.06535	2.1
79.05499	89.6
81.03436	18.9
81.06596	3.5
81.07066	66.2
82.07364	2.5
83.05008	11.7
83.08630	12.3
85.02936	2.2
85.06535	3.4
91.05492	62.6
93.07057	80.6
95.04958	19.6
95.08619	47.0
97.02903	3.1
97.06561	12.6
97.10175	6.1
99.37180	2.2
105.07043	43.8
106.00439	2.2
107.04951	7.9
107.08617	32.0
109.06519	7.3
109.10173	15.4
111.04396	2.8
111.08085	4.5
117.07037	13.7
119.08604	29.5
121.06511	3.7
121.10155	20.6
123.08073	6.8
123.11755	3.0
125.09560	2.3
128.66606	2.3
129.06975	15.3
131.08553	14.5
133.10133	16.8
135.11742	11.9
143.08604	11.4
145.10141	18.9
147.08086	3.3
147.10857	2.3
147.11734	25.0
149.13260	4.4
151.11214	2.5
155.08586	3.2
157.10086	3.2
159.11705	8.1
161.09616	4.4
161.13278	11.0
163.11211	5.9
163.62073	2.2
171.11655	18.9
173.13292	4.9
179.14383	3.6
183.11786	4.3
184.07315	7.1
187.14867	4.8
189.12740	7.8
199.14873	2.6
205.12575	2.2
207.13855	23.8
211.13272	3.0
261.22134	8.9
275.20096	11.1
281.17474	39.6
317.24438	3.5
335.25845	57.6
349.23575	4.6
420.92545	2.8
541.39063	100.0
542.38916	5.3
599.42657	2.6
609.44788	8.8
703.40363	5.3
721.44128	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	721.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
53.03943	8.8
55.01861	4.8
55.05515	24.6
57.03439	12.0
57.07059	4.1
61.02917	6.5
65.03916	3.9
67.05508	80.0
69.03121	1.5
69.03429	13.5
69.07069	20.6
71.01362	2.3
71.04999	31.8
73.02909	3.2
77.03922	1.6
78.90082	1.3
79.05493	57.7
81.03418	39.2
81.07058	100.0
83.04976	10.6
83.08618	14.5
85.02908	10.2
85.06543	9.8
87.04482	1.7
87.58845	1.3
91.05484	58.0
93.06491	3.5
93.07047	54.9
95.04987	11.2
95.08610	39.5
97.02885	11.4
97.06526	13.7
97.10151	5.6
99.04456	4.9
99.08095	3.4
103.05438	3.3
103.95975	1.5
105.07034	48.5
105.12807	1.4
107.04939	5.7
107.08599	31.0
109.02878	8.4
109.06506	6.4
109.10157	17.1
111.04415	4.3
111.08097	3.3
113.09653	1.9
115.05435	3.3
117.07021	24.0
119.08585	36.5
121.06487	3.5
121.10141	20.4
123.04377	1.7
123.08074	4.5
123.11700	10.7
125.09615	3.3
127.03915	5.5
128.06180	4.1
129.05473	3.6
129.06995	14.8
130.07761	1.8
131.08578	26.6
133.06522	2.7
133.10139	34.8
135.08037	3.1
135.11678	14.8
139.11180	2.7
141.06946	5.1
142.07756	3.8
143.08556	11.4
145.06546	3.1
145.10121	23.0
147.08067	3.1
147.11707	23.6
149.09624	4.8
149.13254	10.1
151.11153	4.8
155.08530	9.1
156.09372	2.1
157.10150	15.5
159.08037	2.6
159.11696	22.2
161.13260	10.5
163.11206	2.5
163.14909	2.4
165.12724	3.2
167.08569	3.0
169.10104	11.1
171.11726	10.9
173.04442	13.5
173.13223	10.7
175.11214	6.5
175.14804	5.5
177.12775	2.2
179.08539	1.8
181.10112	5.9
182.10938	1.9
183.08035	2.2
183.11673	8.9
183.13741	1.4
185.09651	1.5
185.13297	11.5
185.19293	1.4
187.11198	2.3
187.13272	4.1
187.14799	4.1
189.12733	1.8
191.10666	1.8
193.10159	1.3
193.12245	3.8
195.11777	3.7
195.13713	2.7
197.13248	7.0
197.15041	1.7
199.11230	2.2
199.14772	4.3
201.14795	1.7
209.13264	4.5
211.14937	2.2
213.12779	3.1
213.16338	2.5
221.13310	2.2
223.11203	2.1
225.12849	1.7
225.14824	4.6
227.16307	3.5
229.14330	2.0
229.19695	2.2
239.17891	1.7
241.19572	7.0
243.15817	7.3
255.17422	1.6
257.17371	2.0
257.19232	1.8
259.20792	11.2
261.22058	5.7
267.15964	4.2
269.17474	4.9
271.20581	2.4
273.18515	2.7
275.20084	5.0
283.20416	2.0
285.17044	2.3
285.22043	2.2
299.18396	2.0
301.20142	3.0
313.21606	2.8
315.23129	3.2
317.24612	3.1
324.05869	1.6
333.24350	9.8
335.25793	2.8
339.23032	2.8
345.24167	1.9
349.21396	1.9
351.23297	1.9
367.15457	1.5
367.22614	4.3
369.24304	2.9
385.23737	2.0
393.31577	2.3
394.86459	1.6
406.01093	1.7
409.30997	1.7
435.32346	2.4
445.24081	2.1
453.33661	2.5
459.27530	1.6
485.35800	2.0
501.35861	17.7
502.36359	1.7
503.37323	58.6
504.37625	3.3
509.35861	3.3
527.29993	3.0
527.37280	34.3
528.37860	3.5
533.38141	2.6
541.35211	3.0
559.40509	7.3
635.39435	3.6
653.40314	3.7
667.41827	3.6
671.41028	5.5
685.42621	2.6
689.42999	9.0
703.43463	4.6
721.44232	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	721.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63617	1.1
53.03936	6.1
53.19632	1.1
55.01885	8.8
55.05267	1.9
55.05516	24.3
57.03437	5.9
57.07084	8.9
58.08228	1.2
65.03940	2.6
67.05511	58.6
69.03439	1.5
69.07069	21.3
69.92873	3.8
69.93273	1.9
71.04983	2.2
71.08636	13.4
79.05503	38.9
81.03412	4.6
81.06587	2.5
81.07061	50.6
81.07532	2.9
82.07395	1.2
83.04973	3.6
83.08631	11.7
85.06573	2.8
85.10165	2.4
91.05488	41.2
93.07051	38.3
95.04980	8.4
95.08620	38.4
95.09239	1.6
97.06527	10.3
97.10189	6.8
99.08070	7.0
103.05484	1.1
105.07039	36.3
107.04948	5.5
107.08607	21.1
107.76135	1.2
109.06515	4.7
109.08999	1.4
109.10155	16.1
111.08069	4.0
113.00027	29.5
113.09653	1.4
115.05431	2.2
117.07024	16.8
117.89809	1.3
119.08591	28.1
121.06519	4.2
121.10156	15.6
123.08051	2.0
123.11718	5.2
125.09621	4.8
128.06219	4.0
129.07025	13.3
131.08574	22.1
133.06500	1.4
133.10139	17.1
135.08063	2.6
135.11711	9.2
137.09663	3.3
137.13231	1.5
141.07011	4.8
141.12834	1.5
142.07787	2.4
143.08575	12.9
145.10139	17.5
147.08054	2.4
147.11713	11.0
149.09648	4.2
149.13239	3.8
151.11185	5.3
154.07784	1.8
155.08554	10.5
157.10149	11.9
159.08072	2.2
159.11723	10.7
161.09703	1.6
161.13274	10.1
163.11206	4.5
163.14864	3.0
165.12808	2.2
167.08562	5.3
168.09351	2.1
169.02640	4.5
169.10167	11.5
171.11696	10.8
173.13284	8.9
175.11235	1.7
175.14832	2.4
177.12747	3.2
179.08501	1.4
179.14294	11.6
181.10094	4.8
183.11723	8.2
184.07327	1.4
185.09683	2.1
185.13257	7.3
185.62762	1.2
187.03697	1.3
187.14861	3.9
189.11244	1.5
189.12793	1.4
189.16441	2.4
193.10265	1.6
195.11684	3.4
195.13519	1.3
196.12550	1.4
197.13257	5.6
199.14854	5.1
201.16356	2.3
203.14386	1.7
207.11809	1.8
209.13307	4.6
211.14851	4.1
213.16463	3.5
215.14346	1.6
215.17805	1.6
217.19510	1.9
219.11681	1.4
220.33661	1.3
221.13148	1.9
223.14839	1.9
225.16400	3.1
227.12767	1.7
227.17975	2.6
229.19556	2.1
231.21092	2.0
235.14760	1.8
237.16516	2.1
239.17949	2.0
241.19524	6.1
243.21025	1.8
251.18068	1.7
255.17429	1.6
257.18945	2.7
259.20612	4.9
261.22293	2.3
275.20074	11.2
277.21692	8.6
285.17102	4.7
286.17325	3.3
297.07507	1.4
297.22079	1.8
313.21918	1.3
313.27438	6.5
314.27872	2.9
315.23251	5.0
317.24414	1.5
331.22638	1.8
349.23666	2.4
351.25543	7.3
405.81168	1.4
435.32672	1.8
437.34619	2.6
449.34161	1.5
467.37411	2.9
495.34424	5.2
497.36279	3.5
499.38791	2.1
509.36368	3.1
511.37640	3.0
517.40265	7.4
523.39850	1.8
524.40259	5.8
525.41510	2.9
535.41382	7.7
553.42621	8.1
591.44055	11.3
609.45178	100.0
610.44861	4.5
624.28137	3.6
627.45959	2.1
703.43390	4.4
721.44873	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	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	15.4
55.01858	11.1
55.05515	44.4
57.03437	19.4
61.02903	6.4
63.74075	3.2
67.05508	94.0
68.05831	6.3
69.03442	25.3
69.07066	24.9
70.33472	7.1
70.33871	6.5
71.04998	9.5
73.02917	4.5
79.05496	92.1
80.05829	6.1
81.03423	100.0
81.07056	94.3
82.03754	3.8
82.07371	5.2
83.04980	25.6
83.08617	28.9
84.08946	3.9
85.02898	14.6
85.06531	4.8
91.03937	4.1
91.04905	4.8
91.05482	89.1
92.05800	7.5
93.07048	76.8
93.16311	4.2
93.88361	3.9
94.07379	6.4
95.04977	47.2
95.08606	46.3
96.05287	3.5
97.02890	19.9
97.06563	19.5
97.10143	15.7
98.10583	3.2
105.07037	69.2
106.07358	5.1
107.04961	20.9
107.08590	41.4
109.02868	8.2
109.06538	15.6
109.10163	23.9
111.04437	11.0
111.08081	10.9
115.05447	8.3
117.07009	23.1
118.75772	3.3
119.08589	48.2
121.06496	13.7
121.10142	23.7
123.08076	14.5
123.11734	5.4
125.09627	8.8
127.03930	8.7
128.06242	3.8
129.07024	22.6
130.07330	4.1
131.08585	35.1
133.06461	5.7
133.10133	34.0
135.08063	11.3
135.11652	11.0
137.09616	5.4
141.06998	6.6
142.07790	5.0
143.08572	19.4
145.06464	6.2
145.10120	25.1
147.04451	4.3
147.08040	9.5
147.11668	40.1
148.08424	3.4
148.12009	9.5
149.09650	16.9
149.13205	4.1
155.08603	5.0
157.10103	16.3
159.11665	14.1
161.09685	5.8
161.13287	10.9
163.11177	8.7
165.12753	5.0
169.10182	6.8
171.11679	14.1
172.12166	4.1
173.04460	10.6
173.09613	6.1
173.13275	6.9
175.11180	15.0
177.12759	4.3
181.10040	3.8
183.11700	4.9
185.13152	6.3
189.11230	8.2
189.12737	6.5
193.12233	18.6
201.12711	3.8
207.13774	8.1
208.14165	5.8
211.11281	3.6
211.13266	14.1
227.12767	6.3
229.14262	4.1
257.18893	5.9
267.15979	37.1
268.16336	18.3
273.18610	5.7
275.20099	28.7
277.14191	4.4
281.17444	40.1
282.17886	24.9
285.16888	6.8
291.19537	6.6
349.23978	8.0
371.25919	3.1
449.30127	6.2
467.31610	5.3
473.29028	30.1
474.23087	6.2
474.29385	88.4
485.32678	4.5
523.34271	4.5
541.35162	40.3
542.35828	3.5
559.36340	27.5
636.42847	3.7
667.38348	6.7
703.39801	12.5
721.40942	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01862	9.5
55.05515	22.6
57.03439	28.7
65.03938	5.7
67.04447	2.3
67.05507	71.7
69.03428	15.7
69.07076	15.5
71.04980	6.4
72.01895	3.0
73.02909	2.0
79.05070	3.9
79.05495	49.0
81.03420	29.3
81.07060	59.4
83.04993	15.8
83.08604	13.0
85.02912	7.7
85.06554	13.5
91.05482	37.4
93.07040	47.6
95.04972	57.9
95.08618	25.2
96.43830	2.4
97.02895	11.0
97.06546	13.2
97.10168	5.4
103.05466	2.2
105.07047	31.9
107.04974	13.6
107.08608	30.6
109.02859	4.7
109.06526	52.4
109.07259	3.1
109.10181	7.4
111.04482	3.3
111.08105	6.9
113.06013	30.7
115.05505	5.5
117.07022	18.6
119.08590	22.4
119.37025	2.6
121.06497	7.0
121.10155	11.3
123.08077	8.6
123.11707	2.6
127.03911	4.6
128.06265	3.6
129.06970	11.0
131.08574	25.4
133.06531	4.8
133.10162	15.4
135.07123	4.1
135.08070	39.2
135.11719	9.4
137.06046	3.1
137.09587	3.3
138.73904	2.2
141.07008	3.7
143.08617	12.2
145.06482	3.7
145.10167	13.6
147.08047	8.7
147.11722	13.8
149.09720	5.1
149.13315	11.6
157.10141	9.5
159.07971	3.3
159.11732	15.5
161.09637	8.2
161.13280	4.9
163.11194	5.7
165.12823	2.4
169.10135	3.7
171.11717	3.0
173.09705	3.0
173.13300	5.2
175.11160	3.8
177.12721	7.3
183.11745	4.9
184.07245	3.0
185.13275	4.0
195.11795	4.0
195.13802	7.6
209.13335	2.8
217.15860	10.5
229.12581	3.3
242.77409	2.3
245.18924	2.5
247.16946	4.2
251.16393	3.8
255.17357	4.3
267.16080	2.9
269.17410	11.4
273.18536	34.9
275.19989	3.4
291.19556	100.0
339.18051	5.8
347.22229	11.3
365.23227	17.0
413.21698	25.0
541.35217	19.3
559.36334	36.2
685.39282	4.6
703.40552	23.2
721.40784	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	721.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.5
55.01863	18.7
55.05514	53.4
57.03448	19.9
57.07071	5.8
59.05034	3.9
60.78475	3.3
61.02928	7.1
65.03938	6.3
67.05508	100.0
69.03434	33.5
69.07070	33.9
69.95353	7.1
69.95741	8.1
71.04991	18.9
78.23574	3.5
78.69057	3.0
79.05066	6.1
79.05500	82.7
81.03419	85.9
81.06585	6.5
81.07061	95.7
82.40680	3.8
83.04986	34.9
83.08639	28.3
85.02914	24.1
85.06538	6.9
91.05486	88.6
93.07053	66.5
95.04958	36.2
95.08607	52.4
97.02892	26.0
97.06538	31.5
97.10149	19.3
99.04463	11.9
105.07037	70.3
107.04957	26.9
107.08614	46.6
109.02891	20.5
109.06514	16.0
109.10163	37.3
111.04462	11.4
111.08077	14.9
115.05470	10.2
117.07019	30.4
119.08595	57.4
121.06505	16.2
121.10107	24.6
123.04405	5.2
123.08077	14.9
123.11681	6.3
125.09650	18.2
127.03914	19.0
128.06271	6.6
129.05502	4.0
129.07034	18.6
130.07776	4.6
131.04878	5.6
131.08569	48.2
133.06497	6.8
133.10144	43.9
135.08052	11.3
135.11711	14.7
137.09656	5.4
141.07030	6.1
142.66676	3.3
143.08559	19.0
145.06523	7.9
145.10136	33.2
147.08032	8.0
147.11717	27.1
149.09630	19.6
149.13277	6.4
151.11206	4.2
153.09114	4.6
153.12709	5.1
155.08549	13.8
156.09416	4.3
157.06502	3.8
157.10176	19.9
159.11682	24.5
161.09654	6.5
161.13235	9.4
163.11230	16.7
164.59979	3.6
165.12746	4.3
167.08658	4.6
169.10144	13.8
171.08046	3.8
171.11755	14.1
172.34404	3.4
173.04500	10.4
173.09656	6.5
173.13275	9.6
175.11206	14.0
175.55415	4.3
177.12697	3.7
179.08707	4.1
179.14319	4.6
181.10060	6.2
183.11746	10.6
185.13271	8.7
187.11229	5.6
187.14819	4.4
189.11273	8.4
189.12791	5.1
193.12254	32.0
195.11806	7.9
197.13304	9.4
201.12788	7.1
209.11676	8.7
209.13414	5.8
211.13263	43.8
211.15004	3.8
213.12891	4.8
223.14862	3.8
225.12816	4.5
227.12643	18.3
229.14360	13.3
229.19595	3.7
233.15436	4.2
239.18050	6.0
241.19380	5.8
257.19080	14.5
267.15881	27.4
273.18552	5.7
275.20093	71.3
283.15353	5.0
285.16925	23.0
291.19458	10.7
293.21103	7.2
313.21640	8.4
333.24255	3.4
349.23877	28.6
355.17670	3.6
429.21014	5.7
449.30542	7.7
467.31796	7.0
485.32544	6.9
523.33893	8.5
531.37280	4.1
541.35376	64.1
559.36420	54.9
667.37708	5.0
685.38940	7.6
686.66486	4.0
703.40771	22.2
721.40723	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96061	1.2
53.03938	3.6
55.01863	4.0
55.05514	20.8
57.03445	19.1
57.07081	35.4
57.90683	1.3
58.06582	1.8
61.02901	4.7
65.03925	2.7
67.05510	38.0
69.03417	5.5
69.07078	17.6
71.04991	6.9
71.08638	20.9
71.51778	2.0
73.02924	1.3
79.05499	26.0
81.03423	51.4
81.07061	40.6
83.04987	13.0
83.08625	26.4
85.02425	2.3
85.02905	21.3
85.06560	1.8
85.10188	11.8
91.03942	2.7
91.04978	2.1
91.05494	27.4
93.07051	22.6
95.04977	17.8
95.08063	2.1
95.08615	31.2
97.02886	4.4
97.06526	3.8
97.10183	8.9
99.08061	2.0
105.07037	23.2
107.04954	5.4
107.08620	9.9
109.06513	5.2
109.10167	14.5
111.08104	7.5
111.08775	1.5
113.06048	1.7
115.05465	2.3
117.06982	3.3
119.04951	1.2
119.08590	18.1
121.06513	1.5
121.10151	9.3
123.08073	3.1
123.11693	2.9
129.05479	1.7
129.07016	9.9
131.08580	11.0
133.06499	3.1
133.10147	11.2
135.11693	2.4
137.09621	2.4
137.13232	1.8
142.07800	2.2
145.10060	1.6
147.08047	1.7
147.11696	15.1
149.09569	3.8
157.10167	13.4
159.11633	1.4
163.11234	2.0
165.12740	3.2
171.11638	1.7
175.11179	11.7
193.10658	2.3
193.12273	30.6
206.45876	1.2
207.13734	1.6
211.13300	52.6
239.23676	2.6
247.20345	1.3
257.24826	2.9
267.15952	21.0
281.17776	2.0
285.16983	76.1
311.25839	2.1
313.27390	81.0
314.27921	2.2
319.22717	2.4
335.25882	1.5
465.35654	4.7
505.33035	1.4
505.38837	12.4
523.39984	100.0
524.39917	3.1
541.38574	7.6
608.43689	2.4
616.32391	1.5
702.10126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.07584	1.0
55.01868	2.2
55.05514	13.4
57.03444	13.2
57.07079	34.5
61.02910	4.4
65.03951	1.0
67.05508	32.5
69.03432	1.7
69.07072	19.8
69.55258	7.0
71.05002	2.8
71.08635	25.4
72.55261	1.1
75.99049	0.8
77.03912	0.8
79.05493	16.6
81.07059	80.5
83.04983	7.1
83.08619	14.4
85.02901	3.2
85.06531	5.2
85.10184	15.0
89.06051	1.9
91.03962	1.2
91.05481	19.5
93.07047	12.7
95.04955	2.8
95.08612	32.5
97.06547	6.6
97.10194	4.9
99.08095	2.7
99.22269	1.0
101.06030	1.0
105.07031	29.5
107.04973	1.6
107.08585	10.3
109.06516	5.6
109.10163	9.3
111.08099	2.0
113.06084	1.1
117.07028	1.7
119.08585	25.2
121.09334	1.4
121.10149	21.0
123.08087	3.4
123.11716	27.8
127.07552	3.4
129.07051	1.9
131.08575	1.5
133.10143	3.3
137.13261	4.0
142.07727	1.0
143.07295	1.0
145.10074	1.5
147.11690	59.8
157.10127	3.7
165.12758	21.4
175.11244	2.7
183.13815	2.0
193.12288	2.0
229.14380	4.7
239.23709	3.9
242.71838	1.0
254.80884	0.9
257.24750	2.6
267.15933	90.3
268.16382	1.5
285.16971	89.2
286.17340	1.1
313.27377	100.0
314.27737	2.6
331.28522	1.1
476.21732	2.7
523.39984	89.3
524.40082	2.7
536.23389	1.6
562.25201	1.1
564.25946	1.2
622.27637	3.2
623.28278	10.2
624.28949	1.1
720.43689	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	720.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29689	1.0
53.03955	2.8
53.23139	1.0
53.43107	1.2
55.01870	1.8
55.05315	1.1
55.05518	14.3
57.03442	15.7
57.07082	33.8
61.02940	6.3
65.03947	2.7
67.05511	41.0
69.03432	4.7
69.07072	16.1
69.18513	11.9
70.84570	1.2
71.04988	4.1
71.08290	1.7
71.08644	21.4
72.64926	1.2
73.02927	2.3
79.05499	20.7
81.03436	7.9
81.07066	44.4
83.04986	7.5
83.08622	14.0
85.02916	6.4
85.06545	3.2
85.10201	12.6
87.04464	1.1
89.06027	1.9
91.03970	2.9
91.05489	33.7
93.07047	20.3
95.04977	15.1
95.08611	30.0
97.02888	3.1
97.06525	6.9
97.10152	5.5
99.04462	2.4
99.08062	2.2
105.07037	18.6
107.04942	2.6
107.08600	9.4
109.06523	10.7
109.10160	11.6
111.04466	1.6
111.08118	1.7
111.11717	1.3
113.00031	1.8
113.06039	2.2
113.41248	1.3
117.07014	3.1
119.08600	14.3
121.10194	6.0
123.11726	4.4
125.09595	1.6
129.07018	8.4
131.08562	6.5
133.10147	12.6
135.08087	1.5
135.11702	6.2
137.09612	2.3
137.13301	1.8
142.07776	2.7
143.08516	1.6
145.10141	1.9
147.08022	1.8
147.11720	8.2
149.09685	3.2
151.11166	3.4
153.12796	1.8
155.08641	1.1
156.36392	1.2
157.10161	6.7
165.12753	2.4
171.11607	1.3
175.11267	6.6
179.14369	2.9
183.11876	1.1
184.07413	1.8
193.12234	8.2
211.13350	6.1
239.23720	3.5
249.14992	1.4
257.24774	1.5
267.16006	13.4
275.20123	2.2
277.21613	1.5
285.16989	100.0
286.17249	1.3
311.16238	1.2
313.27383	96.6
314.27939	2.5
351.25400	1.2
355.28448	1.5
481.38766	2.6
505.39023	3.5
523.40033	57.2
541.40668	3.3
609.44916	6.8
676.81042	1.7
720.46289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03953	5.5
55.01856	1.9
55.05514	9.3
57.03446	7.4
57.81848	0.9
59.04998	0.8
59.69682	0.8
61.02924	1.6
65.03944	2.2
67.05507	27.9
68.05843	1.3
69.03433	2.6
69.07062	6.0
69.38175	8.2
71.04989	3.2
79.05498	36.3
81.03423	47.7
81.07061	24.2
82.03772	1.0
82.07370	1.0
83.04630	0.8
83.04999	9.2
83.08623	12.9
85.02886	2.7
85.06542	1.9
89.23132	1.1
91.05489	32.4
93.07049	32.0
95.04976	19.4
95.08614	10.9
97.02892	4.2
97.06525	3.4
97.10169	3.1
99.04573	0.9
105.04551	1.0
105.07037	23.5
107.04975	6.2
107.08602	9.5
109.06554	4.6
109.10159	4.3
111.04444	1.5
111.08060	4.5
115.05437	1.4
116.07018	0.9
117.07001	5.8
119.08584	18.1
121.06488	2.7
121.10173	4.8
123.08081	3.9
127.03936	1.5
128.06224	1.6
129.07014	13.1
130.07674	0.9
131.08577	6.5
132.08904	1.1
133.06482	1.9
133.10133	7.6
135.08095	1.6
135.11681	2.0
137.09624	1.2
142.07744	1.6
143.08551	4.1
145.06471	1.2
145.10139	6.4
147.08044	2.2
147.11694	19.0
149.09608	2.8
151.11203	1.2
157.10144	5.3
159.11736	1.3
161.09634	2.2
161.13258	3.9
163.11182	1.5
165.12807	1.6
169.10118	1.2
171.11716	9.7
175.11174	4.4
189.12755	3.5
192.41522	0.9
193.12257	8.5
207.13786	9.6
211.13271	1.3
227.12799	1.7
235.11028	1.1
249.14839	1.7
267.15900	36.5
273.18561	1.3
274.18835	1.1
275.20157	1.1
281.17496	35.5
291.19543	1.3
293.37057	1.1
315.19595	1.1
473.29010	100.0
474.29254	3.9
491.30045	2.0
515.29871	1.6
658.03802	1.0
720.40637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.2
55.05512	26.2
55.16065	4.5
55.41102	4.3
57.03445	12.0
61.02936	11.6
67.05513	67.9
69.03425	5.6
69.07079	20.3
69.82379	13.5
69.82793	8.1
71.05019	4.9
79.05496	72.5
81.03406	12.9
81.07063	65.2
83.04982	15.5
83.08635	9.1
85.02902	9.0
91.05487	84.0
93.07052	72.1
95.04986	13.0
95.08606	39.8
97.02875	12.0
97.10216	5.0
99.08146	4.3
105.07043	58.0
107.04947	6.8
107.08616	37.5
109.06524	5.5
109.10190	11.7
115.05491	5.3
117.07017	18.6
119.08600	51.1
121.06522	6.4
121.10151	17.3
123.08082	9.4
128.06268	6.5
129.07005	25.2
131.08597	29.3
133.10159	40.9
135.11710	11.4
143.08563	23.9
145.06584	4.7
145.10101	31.5
147.11717	39.3
149.13304	8.5
155.08560	18.0
157.10135	22.0
159.11745	28.0
161.13295	23.3
167.08595	6.5
167.27673	5.1
168.09245	6.0
169.10130	13.9
171.11707	37.7
173.13281	12.8
175.14836	13.8
181.10159	8.7
183.11694	8.8
185.13301	17.1
187.14871	5.1
189.12706	9.9
195.11740	9.0
197.13251	9.3
199.14885	11.3
207.11783	4.4
207.13782	10.2
209.13261	8.8
237.16391	4.9
241.19591	15.5
259.20673	39.4
279.15823	9.4
281.17484	45.7
315.23203	6.0
333.24347	26.3
343.77332	4.6
353.24533	5.4
437.34106	13.8
447.32599	15.7
465.33548	17.8
483.34659	7.2
503.83853	4.4
521.36139	10.5
539.37317	100.0
540.37750	9.6
557.38409	58.2
675.41815	4.7
701.42334	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	718.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01867	1.9
55.05517	17.6
57.03444	9.1
57.07094	5.3
58.06593	2.2
59.04988	1.1
61.02919	2.1
67.05143	1.3
67.05505	24.2
69.03426	2.8
69.07072	17.2
71.04980	3.4
71.08639	3.2
73.02929	1.6
77.56297	1.3
79.05501	15.7
79.59031	1.1
80.05831	1.4
81.03424	33.5
81.07069	27.8
82.07426	1.3
83.04998	9.4
83.08623	18.1
85.02910	13.3
85.06527	1.2
86.09703	2.7
91.03951	1.2
91.05487	14.6
92.20599	1.1
92.52151	1.2
93.07054	14.8
95.04959	14.4
95.08615	17.9
96.08972	1.2
97.02891	3.6
97.06547	3.8
97.10209	7.4
105.07037	11.0
107.04948	4.1
107.08617	8.8
109.06515	2.3
109.10164	7.3
111.08075	5.7
117.07037	2.2
119.04910	1.2
119.08599	8.2
121.06525	2.5
121.10147	14.1
123.08086	2.0
123.11684	1.9
125.09656	2.1
129.07040	6.9
129.62202	1.0
131.08557	6.5
133.06578	1.2
133.10143	4.7
135.11661	7.2
137.13313	1.7
142.07790	1.6
145.10179	2.4
147.08086	1.5
147.11714	9.9
149.09657	2.6
149.13272	2.9
150.56482	1.1
157.10117	7.2
163.11183	2.6
164.11514	1.3
165.12752	2.5
175.11118	6.8
184.07387	4.6
193.12254	25.0
211.13290	34.1
219.21333	1.1
227.12904	1.9
228.13145	1.2
229.29718	1.2
237.22278	2.0
265.94412	1.0
267.15894	8.6
283.15585	2.8
284.15579	1.6
285.16974	34.8
311.25833	38.9
312.26297	2.1
313.27081	3.3
503.37305	7.3
521.38409	100.0
522.38879	5.0
556.40802	2.0
580.63336	1.8
718.45569	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	718.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01879	1.6
55.05516	25.4
57.03440	14.4
57.07085	8.6
58.06602	5.6
61.02929	3.5
65.20254	1.1
66.46705	1.2
67.05511	41.6
69.03430	1.7
69.07074	37.3
69.30794	4.4
69.31226	6.2
71.04997	4.1
71.08617	3.7
79.05497	20.6
81.03424	1.9
81.07062	91.5
82.07382	1.1
83.05003	7.1
83.08630	27.2
85.02919	4.7
85.06550	4.4
85.10180	1.4
86.09708	1.8
91.03978	1.9
91.05492	21.9
93.07052	25.4
95.04981	2.2
95.08615	32.7
97.02872	1.8
97.06545	7.6
97.07085	1.1
97.10185	9.3
99.08101	4.4
101.06056	1.3
104.10745	1.2
105.07034	28.3
107.04934	1.6
107.08600	14.8
109.06542	3.7
109.10171	7.6
111.08095	2.9
111.11720	2.2
119.08591	26.5
121.10155	25.7
123.08083	6.4
123.11720	27.9
124.99976	1.8
125.09626	1.9
125.68217	1.3
127.07578	3.5
129.07051	1.5
131.08565	2.9
133.10165	4.2
134.10468	1.6
135.11731	9.8
137.13280	4.3
139.74266	1.2
147.11699	58.5
148.12033	1.8
149.13298	4.1
157.10162	1.9
165.12759	22.0
175.11197	2.7
183.13828	2.6
184.07327	8.9
193.12329	1.6
219.21161	3.6
229.14317	5.7
235.96649	1.7
237.22215	3.8
252.34682	1.3
267.15936	85.9
268.16226	1.6
285.16977	94.5
286.17310	2.2
301.54721	1.5
311.25827	100.0
312.26151	3.1
313.27167	1.6
329.26822	3.3
403.33752	1.2
437.99902	1.2
459.21790	2.7
521.38434	93.8
522.38739	4.1
547.27319	1.7
606.28137	2.0
695.85052	1.6
718.31250	2.9
718.43683	2.3
719.30792	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01854	2.5
55.05516	9.0
57.03444	9.9
57.07081	27.8
57.07342	1.2
61.02915	1.5
62.93204	0.6
62.99116	0.5
67.05509	15.1
69.03392	1.1
69.07073	10.2
71.04971	1.8
71.08636	20.7
73.02911	1.5
79.05500	16.7
81.03412	1.5
81.07063	20.8
83.05004	3.4
83.08622	12.7
85.02895	1.4
85.06509	1.2
85.10193	11.1
85.62084	0.6
86.00982	0.6
87.04451	1.0
89.06039	4.2
91.05497	4.3
93.07054	25.8
95.04985	3.9
95.08613	40.2
96.51846	0.6
97.02901	4.1
97.06509	2.3
97.10199	4.3
98.21523	1.4
99.04454	3.0
99.11700	0.8
103.07566	1.7
105.07056	4.9
106.79665	0.6
107.04974	6.1
107.08604	21.0
109.06467	1.2
109.10165	8.2
111.04388	0.8
111.08049	0.8
111.11666	0.7
117.07019	6.8
117.09097	0.8
119.08592	7.8
121.06544	4.4
121.10145	10.1
123.11687	1.9
125.05973	2.3
130.07777	1.4
133.08572	1.2
133.10115	1.6
135.08060	1.3
135.11705	40.3
137.13229	1.0
139.07484	1.4
143.08604	0.6
145.10133	22.0
153.12662	1.1
163.11192	53.5
165.05722	0.6
173.09567	1.1
181.12244	9.2
191.27432	0.6
198.83073	0.6
206.15736	0.6
213.76700	0.6
219.46567	0.6
227.12805	62.2
229.05757	0.7
239.23792	1.8
257.24725	1.2
283.15414	88.0
283.26190	4.3
284.15720	1.4
313.27386	100.0
314.27747	2.3
417.20972	0.7
454.44925	0.8
521.38428	96.6
522.38898	4.7
550.22394	0.7
611.13489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34423	1.4
53.03948	7.9
55.01877	4.6
55.05511	16.4
57.03445	11.2
59.04996	4.3
60.33840	1.5
61.02928	3.5
65.03950	2.8
67.05508	100.0
68.05847	1.5
69.03443	8.5
69.07067	15.0
70.90688	1.6
70.91037	3.0
71.04987	6.7
73.02934	1.5
76.49110	1.3
77.03427	1.4
77.03914	1.9
79.05501	34.2
80.05807	1.6
81.03429	12.4
81.07063	43.3
83.04999	7.0
83.08611	10.5
85.02901	6.7
85.06546	3.8
91.03943	1.6
91.05492	35.8
92.05808	2.5
93.07048	36.9
95.04967	6.3
95.08611	23.0
96.08944	1.7
97.02898	6.6
97.06526	7.0
97.10196	2.9
99.04464	2.2
99.08107	2.6
105.06389	2.8
105.07037	30.3
105.07688	2.3
106.07413	1.7
107.04954	4.5
107.08607	17.9
109.02837	1.7
109.06529	3.4
109.10164	60.2
110.10483	1.9
111.08106	5.1
115.05438	2.2
117.07018	10.7
119.08583	24.1
121.06563	1.9
121.10155	9.7
123.08115	2.6
123.11746	2.7
125.09663	2.6
127.03950	1.8
129.05486	3.5
129.07030	7.1
131.08578	14.2
132.08867	1.5
133.06609	1.4
133.10127	20.2
135.08112	3.0
135.11671	8.3
135.98074	1.4
137.09641	5.1
143.08586	5.4
145.10123	10.3
147.11681	12.4
149.09558	6.5
149.13252	5.4
155.08676	1.7
155.10683	8.4
157.10129	4.2
159.11748	8.7
161.09677	1.7
161.13260	5.5
163.11220	4.4
166.97574	1.5
169.10184	2.0
171.11752	4.2
173.11766	14.1
173.13297	4.1
175.14920	2.5
177.12779	2.2
179.14276	1.6
183.11749	3.2
185.13219	3.0
189.11111	1.5
189.12759	2.0
195.13835	3.1
197.13246	2.9
199.14862	2.1
207.13770	2.7
227.12854	5.2
229.14378	43.4
241.19482	4.6
257.19049	3.9
259.20590	13.9
269.17606	4.5
275.20044	11.9
276.20477	4.0
281.17493	2.5
325.49353	1.6
333.24228	10.7
349.23737	6.5
423.27356	22.3
435.27328	2.7
487.34195	4.8
503.34109	3.9
505.35236	6.0
538.36127	2.0
556.37292	6.7
556.44580	1.5
718.45416	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	718.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61334	1.0
53.03952	5.9
53.26488	1.4
55.01874	5.9
55.05515	18.9
57.03442	11.1
57.07108	1.1
59.05005	2.1
61.02908	4.3
65.03942	3.9
67.05511	100.0
68.05821	2.5
69.03432	10.4
69.07077	18.2
70.07413	1.3
71.04984	5.8
73.02922	2.7
79.05499	31.8
80.05821	3.4
81.03424	20.0
81.07063	52.8
82.03741	2.6
82.07392	2.6
83.04985	7.9
83.08623	12.9
85.02897	5.9
85.06541	5.4
91.05490	35.9
92.05803	3.4
93.07052	35.7
94.07363	2.0
95.04984	11.6
95.08616	23.0
96.08930	2.3
97.02884	6.5
97.06528	7.6
97.10160	6.8
99.08097	2.7
103.05465	1.2
105.07040	27.1
106.07349	2.7
107.04938	4.6
107.08604	19.1
109.02859	4.6
109.06504	5.5
109.10168	65.0
111.08066	5.3
117.07042	9.9
119.08596	20.4
121.06518	3.5
121.10154	9.5
123.08055	4.6
123.11724	2.8
125.09623	4.7
127.03928	3.9
128.06210	2.5
129.05464	2.0
129.07004	5.8
131.08603	13.1
133.10150	14.0
135.08066	3.6
135.11700	8.7
137.09584	5.4
137.10501	1.4
143.08542	4.3
144.08972	1.3
145.06526	1.9
145.10136	9.0
146.10402	1.7
147.08044	2.6
147.11710	9.0
149.02383	4.1
149.09593	4.3
149.13283	6.4
151.11156	2.1
155.10680	4.7
157.10121	3.9
159.11707	8.5
161.09637	2.2
161.13303	3.1
163.11203	7.6
169.10078	2.5
171.11711	3.7
172.12022	2.1
173.04414	4.7
173.11739	14.7
173.13211	2.6
174.04832	1.6
175.11137	1.5
177.12720	1.3
181.10013	1.3
183.11670	1.9
185.13316	1.9
189.11218	3.1
189.12738	1.9
193.04964	4.6
193.12248	2.3
195.13847	3.2
197.13295	1.3
207.13882	2.7
215.14284	1.2
227.12758	5.1
229.14366	53.3
230.14661	1.3
237.07353	1.3
245.13873	3.4
255.15901	3.8
257.18979	3.9
258.19226	2.5
259.20612	2.7
269.17505	10.9
275.20111	18.2
276.20441	5.7
281.17371	3.6
282.17850	2.4
291.19574	1.5
293.20868	2.0
349.23798	12.8
350.24295	2.4
359.07733	1.5
360.99722	1.3
361.65344	1.5
367.24573	3.8
409.25800	8.8
411.27036	1.5
423.27414	52.9
424.27625	1.9
429.11923	6.4
449.29611	1.6
475.30276	2.6
503.33755	16.8
521.35114	7.3
555.36505	1.4
556.37341	7.1
567.31885	3.1
700.41077	2.0
718.39655	2.9
719.40857	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01861	5.3
55.05274	1.3
55.05518	19.7
57.03445	11.5
57.07062	5.0
59.04992	4.6
61.02919	4.3
65.03938	3.8
67.05511	100.0
69.03428	7.9
69.07070	18.6
69.51623	2.4
69.52034	5.8
71.04984	4.8
73.02911	4.0
79.05499	37.2
80.05810	1.5
81.03432	8.6
81.06593	2.8
81.07063	50.0
83.04989	8.9
83.08624	12.0
85.02903	9.4
85.06538	4.2
86.09701	2.5
91.03949	2.8
91.05488	36.8
93.06484	2.5
93.07052	36.5
95.04984	10.0
95.08613	19.9
97.02895	6.2
97.06536	10.8
97.10171	5.1
98.20745	1.4
99.04459	2.1
99.08076	2.2
105.06397	2.2
105.07043	29.4
106.07404	1.4
107.04960	4.7
107.08610	20.2
109.02896	1.8
109.06522	5.1
109.10169	52.2
111.08079	4.9
117.07028	10.1
119.08585	23.0
121.06539	3.9
121.10152	11.2
123.04476	1.3
123.08080	4.8
123.11703	1.6
125.09651	4.4
127.03926	5.3
128.06265	1.8
128.75424	1.3
129.05467	4.4
129.06999	6.3
131.08572	14.6
133.10147	14.3
135.08054	3.7
135.11708	7.0
137.09619	3.8
141.06972	2.3
143.08604	6.0
145.06554	2.0
145.10095	11.5
147.08052	1.9
147.11711	13.3
149.09633	7.2
149.13245	5.7
149.74406	1.5
151.11110	2.0
155.08557	1.8
155.10645	5.5
157.10100	3.6
159.08104	1.4
159.11691	9.8
161.09634	2.4
161.13338	6.0
163.11208	3.4
165.08984	1.7
169.10081	1.9
171.06676	1.4
171.10349	2.0
171.11638	8.8
173.04514	1.8
173.11742	15.6
173.13290	4.7
175.11229	1.5
175.14874	1.9
177.12828	2.7
179.14305	1.5
181.10219	1.3
183.11749	2.5
184.07295	6.3
185.13332	2.8
187.11185	1.7
187.14801	1.4
189.11218	2.2
189.12781	2.0
195.13799	2.7
197.13275	2.4
199.14856	2.1
201.14700	1.8
207.13805	4.5
215.12440	1.4
227.12756	3.0
229.14363	43.6
241.19504	3.6
251.16629	1.5
257.19022	2.9
259.20602	5.0
268.79660	1.2
269.17465	5.5
275.20145	11.4
281.17560	6.2
289.21552	2.8
291.19504	1.5
293.21021	1.2
301.21750	1.3
303.23074	1.3
309.97092	1.3
315.23099	1.1
333.24167	1.7
344.17398	1.3
349.23590	7.7
383.29526	2.7
388.92654	1.4
401.30746	1.7
406.27121	5.8
423.27441	28.1
435.27521	10.9
475.34192	4.4
493.34988	2.2
503.33435	4.4
505.34991	2.0
556.36554	2.9
643.63251	1.4
718.45624	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	718.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01875	5.0
55.05518	16.4
57.03446	9.0
57.07069	1.2
59.05000	3.9
61.02926	2.4
62.68950	1.4
65.03951	2.2
67.05509	100.0
69.03423	5.0
69.07066	14.1
70.90606	1.9
71.04995	3.8
73.31939	1.3
77.03918	1.3
78.84632	1.4
79.05496	22.7
81.03410	5.6
81.07060	42.9
83.05002	6.0
83.08615	9.5
85.02913	5.2
85.06541	3.8
90.29404	1.3
91.03976	1.7
91.05491	21.1
93.07051	25.1
95.04977	3.9
95.08609	15.5
97.02910	3.4
97.06510	7.1
97.10174	8.0
99.04469	1.4
99.08109	1.4
100.35129	1.2
105.07037	16.7
107.04971	3.7
107.08600	18.8
107.16179	1.4
109.06528	3.7
109.10161	67.6
111.08088	4.8
117.07033	8.3
119.07863	2.1
119.08582	11.8
121.06488	2.0
121.10147	8.0
123.08100	1.9
123.11748	2.3
125.09672	6.7
127.03952	2.1
129.07011	3.4
131.08556	7.6
133.10146	9.0
135.08076	2.7
135.11688	5.1
137.09616	3.9
141.07016	1.5
143.08635	1.7
145.10133	8.2
147.11688	3.7
149.09642	6.0
149.13266	3.9
151.11209	1.4
155.10660	6.7
157.10094	2.2
159.11710	6.9
161.13280	2.0
163.11229	5.2
171.11685	2.4
173.11752	12.9
173.13184	3.0
175.14848	1.2
177.12796	2.7
179.14357	2.5
189.11243	3.0
195.13847	2.4
227.12801	11.2
229.14365	63.4
239.18118	1.9
247.20663	1.3
255.15965	3.6
257.18997	5.7
269.17578	8.3
275.20090	20.6
293.21024	2.4
329.10605	1.3
349.23773	19.0
383.24020	1.4
399.23694	4.3
409.25925	12.5
416.19797	1.7
423.27481	51.4
424.27408	1.8
503.33768	30.6
516.17920	1.3
521.34619	4.4
622.71112	1.4
623.00372	1.4
728.21472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01860	4.7
55.05512	16.8
57.03217	1.3
57.03437	11.8
57.07070	1.6
59.04988	3.4
59.86002	1.6
61.02916	5.4
65.03941	2.3
67.05510	100.0
68.72598	1.3
69.03413	6.4
69.06730	1.6
69.07078	17.9
71.05004	6.9
71.51240	1.8
73.02916	3.5
79.05068	2.1
79.05501	31.3
80.05813	1.6
80.06260	1.6
81.03422	11.1
81.07065	47.0
83.05000	9.1
83.08630	11.0
85.02898	7.3
85.06530	3.1
86.24449	1.3
91.03940	2.2
91.05491	31.4
93.07052	32.3
95.01321	1.5
95.04971	8.1
95.08613	20.5
97.02902	6.9
97.06542	8.0
97.10165	4.4
99.08080	3.4
105.07042	24.7
107.04929	5.0
107.08598	18.0
109.02868	1.8
109.06518	4.6
109.10162	62.0
111.08105	7.0
117.07014	9.0
119.08577	20.9
121.06495	3.9
121.10159	8.8
123.08064	3.6
123.11746	1.8
123.83270	1.4
125.09610	5.3
127.03899	3.2
128.06223	1.7
129.05460	4.9
129.06999	5.6
131.08594	11.5
133.06482	1.5
133.10146	15.5
135.08020	3.1
135.11694	6.5
137.09589	4.9
141.06854	1.4
143.08600	3.4
145.04834	1.7
145.10178	9.0
147.11667	12.1
149.09593	5.3
149.13232	5.6
153.09084	1.6
155.08540	1.7
155.10689	4.7
157.06328	1.2
157.10109	3.2
159.11691	8.0
161.13261	6.2
163.11220	4.2
169.10217	1.5
171.11710	6.1
173.11731	18.8
173.13303	4.5
175.14754	1.4
177.12694	2.6
179.14343	1.7
184.07341	1.5
185.13223	2.0
189.11182	2.0
189.12753	3.0
195.13857	2.1
199.14890	1.8
207.13712	2.1
227.12735	6.2
229.12105	2.6
229.14362	50.4
229.19484	2.1
230.14615	1.7
245.14000	1.7
257.18854	2.8
259.20560	5.3
269.17404	4.4
275.19977	12.1
281.17532	5.7
285.14981	1.5
289.21622	2.2
293.17593	1.5
333.24194	3.7
349.23798	5.4
383.28976	1.8
401.30383	2.8
406.27026	7.3
423.27451	25.7
435.27484	16.2
475.34079	3.7
487.34064	3.4
503.33694	4.1
505.35480	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	717.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09929	2.1
50.24220	2.2
51.28922	2.3
53.03934	7.9
55.01865	5.9
55.05510	26.6
57.03426	3.4
57.06842	2.0
57.07076	18.7
65.03922	4.5
67.05183	4.0
67.05510	59.9
69.03410	2.7
69.07076	27.6
71.04995	4.8
71.08644	19.8
71.43004	4.8
79.05504	39.4
79.05930	5.4
79.95130	2.4
81.03416	3.6
81.06601	3.4
81.07063	68.5
83.04969	9.1
83.08631	20.2
85.06544	6.0
85.07658	3.7
85.10196	5.0
89.06043	3.8
91.05478	32.3
93.07049	44.9
93.69712	2.3
95.04961	7.0
95.08606	44.9
97.06523	8.1
97.10163	8.9
99.08104	5.7
105.07033	22.9
107.08604	31.0
109.06534	25.9
109.10162	19.1
111.08048	6.0
113.00014	6.9
117.06995	8.8
119.08591	26.7
121.06512	4.5
121.10150	20.2
123.07218	3.0
123.08078	51.7
123.11703	8.7
125.09595	5.2
129.07008	4.7
131.08560	13.3
133.10155	18.4
135.08058	34.6
135.11674	14.1
137.09592	5.0
143.08554	4.6
145.10139	15.6
147.11652	10.4
149.09596	7.6
149.13257	6.5
151.11180	4.5
157.10164	4.3
159.11707	11.2
160.42827	2.7
161.09644	2.7
161.13237	4.0
163.11183	4.7
169.02603	5.5
171.11656	4.3
173.13283	4.1
175.11275	2.8
175.14763	5.0
177.12741	12.6
179.14322	74.1
184.07346	3.9
187.14822	2.9
191.14351	3.0
195.13777	3.2
202.23129	2.6
205.15871	7.1
247.20700	3.3
257.18872	2.5
259.20499	3.3
263.20035	6.6
269.17438	8.2
275.20038	22.4
277.21631	10.3
293.21085	4.0
303.23587	2.6
303.26804	9.4
313.27582	3.8
329.24969	3.5
331.22391	5.2
331.26340	100.0
332.26804	3.8
333.27896	19.0
349.23599	8.4
349.27484	6.2
351.25269	5.2
387.28714	5.5
405.30112	16.8
587.46429	13.1
599.43103	8.6
605.48077	16.2
617.44220	37.2
634.57721	2.9
681.50659	3.7
699.51740	17.7
717.46118	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
54.86024	1.9
55.01870	5.9
55.05265	2.9
55.05515	31.4
57.03439	4.9
57.07077	14.7
63.37661	2.1
65.03947	3.2
67.05510	56.9
69.03443	2.8
69.07071	27.8
71.04996	3.8
71.08637	15.2
71.52069	3.1
79.05063	3.6
79.05496	37.9
81.03484	2.1
81.07058	59.2
83.04980	7.9
83.08631	15.4
85.06541	4.9
85.07690	2.9
85.10204	3.1
89.06062	2.6
91.05491	29.2
93.07052	47.0
95.04951	11.6
95.08619	45.1
97.06536	8.4
97.10175	7.8
99.08092	8.9
104.07619	1.9
105.07036	27.0
107.04959	2.5
107.08600	29.5
109.06528	27.4
109.10153	17.2
111.08106	6.1
113.00046	4.4
117.07053	9.4
119.08597	19.3
121.10166	20.6
123.08076	45.6
123.11742	6.3
125.09605	3.4
129.07039	3.9
131.08617	11.0
133.10161	20.4
135.08060	24.8
135.11694	9.1
137.09612	5.1
139.11171	2.3
143.08588	2.5
145.10095	11.2
147.11728	10.7
149.09662	6.8
149.13286	11.5
151.11203	2.8
157.10175	5.5
159.11646	12.4
161.09615	5.1
161.13278	4.9
163.11188	5.2
165.12799	4.1
169.02583	4.7
171.11740	2.9
172.52695	2.0
173.13326	5.7
175.11172	2.4
175.14862	7.8
177.12698	13.8
179.14331	74.0
191.14333	4.1
195.13889	3.9
205.15889	7.6
236.86607	2.1
247.20692	5.4
263.20135	8.1
269.17615	10.9
275.20023	14.5
277.21725	10.5
288.04721	2.4
289.21777	3.2
291.19577	3.6
293.21075	5.3
303.26743	8.5
313.27356	7.0
325.97919	2.1
329.24600	4.2
331.26328	100.0
332.26877	2.6
333.27850	18.3
334.38141	2.2
349.23682	6.4
349.27512	5.4
351.25366	6.2
373.27298	4.7
384.66495	2.1
387.28659	3.4
405.30148	14.3
407.31641	4.3
415.17496	2.1
531.36877	3.5
587.47003	10.5
599.43353	11.2
605.47693	14.5
613.44342	2.7
617.43994	38.1
671.52637	2.5
681.50354	6.7
699.52026	21.1
717.45740	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	717.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.4
53.03962	15.8
55.01880	14.8
55.05521	34.9
57.03444	12.4
57.07074	3.3
57.38757	1.9
59.05002	1.7
61.02922	4.3
65.03942	8.5
67.05510	95.4
69.03436	25.1
69.07072	31.8
71.01362	1.9
71.05000	11.1
73.02913	2.0
73.56766	2.0
76.20638	1.8
77.03920	2.4
77.82140	1.8
79.05502	100.0
80.05836	2.1
80.31446	1.8
81.03426	56.9
81.07064	88.1
83.04989	21.4
83.08632	17.0
85.02925	12.7
85.06566	3.6
91.05492	94.5
93.07051	80.1
95.04977	27.2
95.08614	41.5
97.02889	18.4
97.06531	15.8
97.10175	11.8
99.04454	8.1
99.08084	3.4
103.03928	2.6
103.05476	4.2
105.04539	3.5
105.07043	66.6
107.04972	20.3
107.08609	39.7
109.02890	13.3
109.06514	17.5
109.10178	27.1
111.04426	5.0
111.08082	5.2
115.05482	7.1
117.07034	31.1
119.04947	3.4
119.08592	47.2
121.06490	9.0
121.10160	19.0
123.04453	4.8
123.08064	10.4
123.11723	4.7
125.09628	7.0
127.03912	12.4
128.06232	11.4
129.05525	3.2
129.07019	29.4
130.07809	3.5
131.08578	31.7
133.06517	7.6
133.10152	27.6
135.08073	11.4
135.11690	9.5
137.05946	2.4
137.09647	4.1
139.11224	2.9
141.07007	8.4
143.08589	18.4
145.06464	11.6
145.10147	28.1
147.04428	3.2
147.08076	6.3
147.11717	26.8
149.05989	2.6
149.09619	12.8
149.13312	5.4
151.07593	2.8
151.11212	4.3
155.08571	11.1
156.09453	2.7
157.06471	3.3
157.10107	12.7
159.08086	8.7
159.11731	14.9
161.06018	4.0
161.09599	6.8
161.13271	13.8
163.11214	9.6
165.07008	2.3
165.09149	6.9
165.12756	3.1
167.08571	4.6
169.10135	8.7
171.08105	4.8
171.11725	20.3
172.08727	2.0
173.04509	11.1
173.09630	6.4
173.11894	2.7
173.13277	8.5
175.11212	4.9
175.14865	3.0
177.12738	5.0
178.69614	1.9
181.10136	5.5
183.11751	9.4
185.09644	4.4
185.13261	4.9
187.11241	3.3
189.09132	3.1
189.11284	4.2
189.12799	8.8
191.14421	2.7
193.10178	2.6
195.11684	4.4
197.13347	6.3
199.11267	3.8
199.14900	3.0
201.12766	2.6
207.11995	3.0
207.13739	13.1
207.78618	2.1
211.14833	3.8
213.16318	2.4
217.10124	2.5
223.11259	2.6
227.12816	5.5
229.14409	4.0
229.19472	3.9
239.17976	5.6
245.15808	2.7
247.20604	6.0
257.19031	10.8
259.17151	3.0
271.17004	5.2
273.18518	3.3
275.20068	49.3
276.20554	1.9
279.15573	2.4
281.17499	28.8
287.16559	4.8
287.19989	2.2
293.21149	4.9
331.22766	2.2
349.23706	18.6
351.17883	2.2
359.18298	2.1
383.22397	3.4
402.11890	2.4
407.20718	2.5
435.27344	4.5
445.31036	3.0
454.89127	2.1
462.18033	2.4
493.27719	3.6
537.35883	8.1
555.36865	34.2
556.37360	2.5
573.37531	3.8
676.65723	2.2
699.40839	7.5
717.42017	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	16.6
55.01876	13.6
55.05519	33.6
57.03448	12.3
57.07070	3.6
61.02929	2.7
63.49379	2.1
65.03935	5.3
67.05508	89.4
69.03436	24.2
69.06725	2.6
69.07076	29.9
71.01337	2.7
71.04980	9.4
72.52374	2.4
73.02920	2.8
77.03929	4.0
79.05500	93.5
81.03427	52.2
81.06590	4.9
81.07058	86.3
83.04980	22.7
83.08616	16.3
85.02914	14.9
85.06514	3.8
86.31075	2.0
91.05486	100.0
93.06490	5.2
93.07048	85.2
95.04978	25.6
95.08605	47.4
97.02908	13.7
97.06542	14.4
97.10159	7.8
99.04431	5.8
103.05417	2.8
105.04476	2.8
105.07040	75.0
107.04950	22.2
107.08604	42.4
109.02896	14.4
109.06521	16.3
109.10169	29.5
110.10468	3.9
111.04437	7.1
111.08078	6.9
115.05456	6.8
117.06314	3.5
117.07024	25.8
119.08588	54.9
121.06490	9.0
121.10148	16.8
123.08078	10.4
123.11730	3.7
125.09695	3.3
127.03928	16.1
128.06216	7.2
129.05534	2.8
129.07005	23.6
131.08563	32.0
133.06476	5.1
133.10139	34.7
135.08070	10.1
135.11671	9.5
137.09619	5.1
141.07018	7.8
143.08582	21.3
145.06500	6.4
145.10133	33.3
147.08043	6.5
147.11690	31.1
149.09621	9.4
149.13261	3.5
151.11180	5.6
155.08553	6.6
156.09377	2.3
157.10104	10.7
159.08057	3.2
159.11710	16.0
161.05984	2.6
161.09590	6.3
161.13242	12.5
163.11200	5.9
165.12808	4.3
167.08516	3.9
168.09332	3.3
169.10126	9.2
171.08032	3.7
171.11688	28.0
173.04494	15.4
173.09656	4.6
173.11772	3.9
173.13216	9.7
175.11235	4.0
177.12744	5.3
179.14389	4.4
181.10121	5.5
183.11702	7.0
185.13240	4.1
187.11153	6.4
187.14751	3.3
189.11166	3.0
189.12749	8.2
195.08105	2.5
195.11681	3.7
197.13249	4.9
199.38754	2.6
207.13826	18.8
213.16403	2.8
220.12334	2.5
227.12633	2.7
229.14308	7.5
230.14680	3.2
233.08475	2.5
239.14104	2.7
239.17984	6.9
241.10675	3.4
247.20569	5.2
254.14679	2.6
257.19067	16.2
259.16959	3.3
260.59039	2.3
269.15292	4.5
275.17313	4.4
275.20096	58.6
279.15900	4.1
281.17493	37.2
282.72324	2.5
287.16458	3.6
291.19473	3.4
293.21179	6.6
299.20044	2.5
329.21402	2.3
331.22507	4.1
349.23868	19.4
355.22842	2.6
383.21902	4.5
435.27252	2.9
463.32162	2.9
493.28412	2.8
520.33282	4.4
527.36987	3.1
537.35583	8.8
555.36859	44.2
583.35156	2.6
681.39532	4.1
699.41058	4.4
717.41888	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	717.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36866	1.8
51.02372	4.0
53.03950	17.6
55.01870	16.2
55.05268	2.6
55.05516	32.5
57.03445	12.0
59.05013	2.3
61.02931	2.9
61.96674	2.0
65.03934	7.5
67.05509	100.0
68.05819	2.4
69.03433	26.9
69.07071	27.2
69.23391	7.8
69.23816	9.3
71.01395	2.6
71.05000	11.1
73.02921	2.7
79.05497	89.1
80.05843	1.8
81.03423	68.6
81.07059	84.9
82.07394	2.0
83.04984	19.5
83.08608	14.6
85.02897	12.7
85.06528	5.3
91.05488	94.7
93.07046	77.6
95.04971	27.2
95.08614	43.7
97.02892	17.3
97.06541	13.5
97.10175	5.8
99.04459	11.0
99.08096	4.0
101.02350	2.5
103.05460	4.6
105.04518	4.8
105.07037	71.6
106.07381	1.9
107.04955	15.3
107.08603	39.0
109.02892	11.1
109.06500	11.7
109.10162	26.6
111.04463	4.6
111.08092	5.1
115.05482	5.9
117.07024	27.1
119.04941	2.3
119.08585	48.9
121.06506	7.8
121.10140	16.2
123.08055	6.3
123.11696	3.7
125.09639	4.3
127.03941	12.9
128.06227	5.5
129.07016	25.0
131.08578	28.6
133.06494	5.3
133.10144	31.3
135.08078	7.4
135.11691	7.2
137.09618	5.6
141.06976	4.7
142.07797	2.7
143.08546	15.9
145.06522	5.4
145.10130	32.1
147.08058	4.1
147.11678	33.6
149.09624	10.5
149.13252	6.1
150.25572	1.8
151.11180	3.7
155.08568	5.9
156.81282	2.0
157.04964	2.0
157.10144	9.8
159.01619	2.4
159.08080	3.1
159.11681	16.0
161.09595	5.8
161.13266	16.1
163.11214	4.6
165.09091	2.5
165.12729	2.6
167.08685	2.1
169.10223	4.7
171.08124	4.5
171.11708	24.4
173.04471	26.8
173.09634	3.9
173.11893	3.7
173.13313	5.3
175.11200	3.7
175.14836	2.0
177.12785	3.7
181.10080	3.1
183.08070	2.3
183.11728	6.6
185.09639	2.8
185.13321	4.3
187.11255	2.4
189.11241	2.2
189.12761	5.6
195.11703	3.4
199.06027	3.5
203.14366	2.4
207.13762	16.8
209.13489	2.3
211.14917	2.5
219.13896	2.0
221.13188	2.5
227.12759	3.7
229.14375	14.4
229.19568	2.6
239.17917	3.5
247.20651	4.5
253.14421	7.7
254.14742	5.0
257.18964	10.4
259.20584	5.8
269.15198	2.4
275.20087	41.1
279.15979	2.0
281.17535	30.6
287.16611	2.8
291.19702	1.9
293.21130	5.3
299.19687	2.3
331.22668	3.9
333.24344	3.2
349.23700	14.2
423.27478	2.5
426.26038	2.3
463.32260	4.1
475.30472	7.9
520.33099	4.8
537.35590	4.6
555.36835	26.3
573.37897	2.1
597.37256	2.3
619.34644	7.8
645.37744	2.9
699.40259	3.8
717.42920	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	717.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	20.5
55.01873	16.5
55.05513	31.2
57.03422	14.1
64.32323	3.0
65.03925	7.5
65.18075	4.3
67.05509	87.8
69.03435	28.1
69.07077	39.2
69.25641	27.1
71.04983	10.9
73.02911	3.1
77.84306	2.9
79.05494	100.0
81.02985	5.5
81.03416	60.5
81.07058	87.5
83.04984	19.2
83.08634	17.6
85.02891	15.0
85.06538	3.9
91.05488	96.9
92.71422	3.6
93.07049	89.9
95.04974	25.2
95.08038	6.0
95.08607	45.1
97.02912	21.8
97.06524	20.0
97.10149	4.2
98.21541	5.4
99.04444	9.6
103.05473	9.0
105.07030	82.4
107.04968	18.5
107.08582	37.5
109.02870	14.6
109.06522	13.3
109.10165	15.3
111.04469	6.8
111.08101	6.2
115.05453	5.8
117.07008	33.8
119.08584	42.7
121.06492	9.6
121.10152	15.4
123.04367	3.9
123.08038	11.3
123.11774	4.4
125.09605	5.8
127.03898	13.4
128.06190	8.2
128.12924	3.5
129.07005	29.3
131.04826	5.7
131.08595	29.5
133.06430	6.1
133.10147	32.1
135.08011	5.5
135.11671	10.2
137.09566	3.5
141.06973	8.2
142.72981	4.0
143.08553	17.7
145.06479	9.6
145.10124	28.9
147.08017	6.6
147.11681	44.3
149.09627	11.3
155.08527	9.6
157.10132	13.5
159.11723	17.3
161.09578	6.2
161.13251	13.6
163.11165	9.9
169.10147	7.5
171.11691	22.3
173.04503	17.4
173.09552	3.3
173.13278	7.0
177.12738	4.8
179.14302	8.1
183.11696	4.5
187.11063	4.3
189.12746	7.1
197.13225	3.5
201.12717	4.7
207.13811	20.9
213.16393	3.1
219.17412	5.7
229.19574	3.4
247.20755	3.5
257.19058	10.4
269.15347	5.3
275.20068	56.0
279.15878	7.3
281.04355	3.5
281.17517	35.8
287.16498	4.1
293.21191	5.3
310.04993	4.1
317.20575	3.2
349.23715	19.6
457.30280	3.2
463.31821	4.5
475.30838	18.8
489.59506	3.2
537.35455	6.2
544.49341	4.1
555.36823	34.1
699.40527	7.9
717.41876	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	717.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	2.3
53.03952	19.8
54.16078	2.4
55.01875	13.1
55.05517	37.4
56.69960	2.9
57.03444	13.4
57.07076	4.5
59.05010	2.4
61.02931	2.7
65.03928	7.8
67.05512	88.1
69.03437	35.0
69.07073	29.8
70.09090	2.3
71.04987	10.7
77.03916	3.9
79.05502	100.0
80.17072	2.3
81.03427	73.4
81.06590	4.4
81.07065	80.8
81.69252	2.6
83.04992	23.6
83.08624	13.3
85.02908	17.0
85.06526	3.5
91.05492	95.3
93.07052	84.2
95.04970	25.0
95.08066	4.1
95.08620	50.8
97.02886	15.9
97.06542	14.6
97.10161	10.6
98.20757	4.3
99.04464	7.8
99.08105	2.7
101.02351	2.6
103.40007	2.3
105.04491	4.7
105.07047	76.0
107.04965	17.4
107.08609	47.3
109.02908	11.7
109.06557	14.8
109.10176	24.1
111.04458	6.1
111.08092	7.1
115.05425	7.9
116.06281	2.9
117.07037	31.2
118.54986	2.2
119.04961	4.4
119.08601	62.2
121.06532	11.9
121.10145	19.3
123.04422	2.6
123.08066	10.3
123.11703	4.4
125.09626	10.8
127.03909	12.4
128.06242	8.5
129.05486	3.7
129.07022	23.9
131.04910	3.3
131.08574	32.4
133.06493	8.6
133.10146	40.1
135.08057	9.3
135.11687	9.7
137.09636	5.4
139.07605	2.8
141.06978	6.6
142.07773	3.1
143.08577	24.9
145.06494	8.7
145.10121	32.2
147.08054	8.1
147.11700	37.2
149.09610	11.1
149.13289	6.5
151.11232	3.1
155.08556	9.2
157.06470	3.3
157.10115	8.9
159.08063	6.1
159.11699	21.1
161.09596	10.9
161.13240	13.9
163.11183	8.1
165.09074	2.7
165.12700	3.4
167.08620	2.6
169.10112	9.3
171.08099	3.4
171.11705	27.4
173.04492	22.1
173.09625	2.5
173.13289	8.2
175.11098	2.4
177.12782	7.0
179.14253	4.2
181.10136	4.2
183.11681	8.9
185.09709	3.0
185.13235	3.1
187.11118	4.8
187.14804	2.6
189.11206	5.1
189.12808	11.9
197.13309	7.2
199.06042	2.8
199.11179	3.5
207.13803	22.2
213.12857	4.0
213.16292	2.9
227.12703	5.9
229.12334	2.9
229.19478	5.3
239.17923	5.3
241.10835	3.2
247.20576	6.9
257.19012	19.3
269.15347	4.1
275.20111	66.7
279.15839	4.4
281.17468	39.7
287.16486	5.1
293.20956	4.8
302.60767	2.9
331.22623	3.0
349.23749	24.4
365.21140	2.9
407.20416	4.2
419.24158	3.2
439.39957	2.7
475.30243	3.8
493.27780	3.3
527.36694	3.8
537.35596	7.0
555.36865	51.0
573.37366	4.7
681.40057	3.0
699.40900	9.4
717.42255	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	717.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30267	0.5
50.50024	0.6
51.73207	0.6
56.05038	2.6
57.05832	0.7
60.05652	1.5
63.30384	0.6
69.03439	1.4
69.04562	0.7
70.06696	2.7
70.07053	0.8
79.05500	1.1
80.56081	0.6
83.06104	1.5
88.88209	0.6
91.05443	0.9
93.07080	0.6
95.06112	1.9
97.02902	29.9
98.21465	0.7
105.03407	1.3
105.05825	1.0
105.07040	4.2
111.05583	6.9
113.07146	2.3
120.04488	11.1
123.04462	1.8
123.05548	0.8
126.06638	7.4
127.07431	1.7
127.35446	0.6
132.04463	16.9
132.08118	1.0
134.06038	6.2
137.04794	1.3
137.05956	0.7
140.08234	1.7
146.02419	1.0
150.05527	2.0
151.04039	0.9
151.06165	7.3
162.06825	0.7
167.07213	0.7
168.08908	1.5
177.05476	1.0
185.07060	0.7
187.08713	1.4
202.09805	11.2
216.11398	2.4
230.09303	9.8
231.07639	7.1
231.12480	1.3
232.10841	4.7
233.14052	1.3
242.09283	4.7
248.09427	0.8
257.10382	4.2
259.11926	70.6
260.12405	1.6
277.12976	31.7
283.10953	0.8
284.11450	6.3
301.13626	1.4
302.12509	28.7
302.16003	1.4
303.13004	0.9
319.14926	0.9
327.09573	0.8
329.16159	1.0
333.15552	1.1
348.15466	0.8
349.15115	0.9
355.14093	1.0
373.15097	9.2
391.16104	17.5
398.14554	4.4
415.17157	1.1
433.18338	19.1
451.18298	0.8
519.02905	0.7
553.21460	5.6
595.23895	9.2
675.28601	1.3
717.30957	100.0
718.19775	0.8
718.31226	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	717.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.1
54.79189	2.9
55.01878	26.6
55.05517	30.1
57.03432	8.7
57.07074	3.0
65.03938	3.8
67.05508	70.8
69.03433	15.2
69.07072	39.6
69.25673	9.6
69.26093	15.3
71.01340	2.8
71.04992	8.1
79.05498	77.5
81.03428	42.7
81.07065	83.2
83.04974	17.5
83.08614	15.3
85.02913	10.4
85.06515	3.8
91.05486	90.7
93.07045	61.2
95.01326	9.9
95.04979	27.2
95.08611	57.0
96.77044	2.3
97.02897	9.2
97.06530	38.4
97.10170	6.2
99.04465	3.9
103.05367	2.7
105.07046	100.0
107.04963	25.1
107.08607	26.1
109.02882	5.5
109.06527	9.7
109.10133	13.9
110.60117	2.8
111.08128	3.9
115.05453	6.6
117.07021	30.2
119.08591	61.2
121.06488	5.0
121.10141	13.2
123.04453	5.4
123.08073	9.0
123.11723	3.1
125.09683	2.4
127.03918	5.8
128.06245	9.8
129.06995	23.4
131.04955	3.1
131.08569	37.5
133.06473	5.0
133.10132	51.6
135.08055	10.6
135.11687	11.8
137.09642	5.2
141.06999	5.9
143.08539	13.7
145.06548	14.0
145.10126	29.9
147.08104	3.5
147.11678	27.9
148.28940	2.5
149.09641	8.2
149.13239	8.3
150.05301	2.7
155.08545	8.5
157.10190	11.0
159.08069	6.4
159.11662	19.3
161.13274	13.9
163.11214	7.7
165.09175	4.7
169.10164	7.0
171.08038	6.0
171.11693	11.6
173.04501	5.4
173.09650	3.6
173.13263	8.0
175.11188	5.5
177.12791	3.9
179.14320	18.5
183.11749	4.9
187.11243	10.2
189.12723	6.9
207.13858	8.2
242.45554	2.7
245.25906	2.7
247.20551	4.0
257.19003	9.8
269.15402	6.1
269.43686	3.1
275.20078	93.0
279.15930	10.2
281.17557	11.6
287.16470	11.2
293.21164	5.9
349.19910	3.4
349.23862	41.7
425.21597	11.4
463.31848	3.3
537.35107	6.4
555.36761	40.1
568.10474	3.1
569.38342	5.7
631.37366	3.3
635.39832	5.0
649.54193	3.1
699.40753	11.9
717.43652	12.6
720.30420	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	716.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01868	3.3
55.05511	19.9
57.03439	9.4
57.07079	7.9
61.02918	1.7
64.26688	0.8
65.03942	1.4
67.05505	24.6
67.05874	1.2
69.03448	1.9
69.07069	26.0
71.04994	2.1
71.08624	3.3
73.02932	1.2
78.00455	0.9
79.05494	25.0
81.03426	2.2
81.07056	31.7
83.04987	3.4
83.08147	1.5
83.08620	22.5
85.02930	1.2
85.06544	1.4
85.10185	2.4
89.06030	1.6
91.05470	8.4
93.07044	34.5
94.07379	0.9
95.04964	5.7
95.08607	41.8
97.02882	3.1
97.06535	4.0
97.10161	7.5
98.21510	2.8
99.04443	4.7
99.08080	1.6
105.07019	6.0
107.04938	7.1
107.07870	1.7
107.08591	24.7
108.08907	1.1
109.06515	2.6
109.10159	6.9
111.04418	1.8
111.08100	3.1
111.11726	3.2
113.09631	0.9
117.07018	7.4
119.08573	9.3
121.06497	4.5
121.10144	18.7
123.11713	4.3
125.06004	2.0
125.09634	1.7
130.07774	1.3
131.08582	0.8
133.08563	1.3
133.10126	2.5
135.08125	1.2
135.11690	47.7
136.12048	1.0
137.13284	1.7
139.07532	1.9
139.11211	1.6
143.08582	1.5
145.06487	1.2
145.10120	24.5
149.13242	3.1
153.12831	1.6
163.11180	56.3
181.12215	6.4
184.07379	2.5
188.65784	0.7
191.38547	1.0
209.11766	1.0
227.12782	63.6
228.13078	1.5
229.78516	1.0
237.22153	1.7
245.88593	0.8
283.15393	84.4
284.15732	1.4
311.25800	100.0
312.26154	2.9
335.59695	0.8
519.36835	98.0
520.37347	4.9
549.44147	0.9
553.59467	1.0
603.61957	0.8
716.43835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03950	14.1
55.01678	1.4
55.01878	15.4
55.05267	1.9
55.05516	27.0
57.03442	27.2
57.07079	2.3
58.06459	1.3
59.05004	1.3
65.03946	12.2
67.05510	100.0
69.03088	1.7
69.03436	19.6
69.07080	15.2
71.01362	1.3
71.05009	7.8
71.51317	2.0
71.51681	1.6
73.02931	1.6
73.06576	1.3
77.03915	3.3
79.05500	79.2
81.03423	54.2
81.07063	61.6
83.04987	10.9
83.08649	7.6
85.02909	12.4
85.06553	16.7
85.77176	1.6
91.05486	78.2
93.07054	62.0
93.07602	1.5
95.01334	2.7
95.04976	92.9
95.08615	34.2
97.02895	13.5
97.06532	11.7
97.10169	4.9
98.85373	1.4
99.04456	6.3
99.08091	2.2
103.03990	1.6
103.05449	5.5
105.04511	5.1
105.07038	57.3
107.04961	26.6
107.08599	30.5
109.02892	11.4
109.06525	75.3
109.10172	10.3
111.04441	4.4
111.08092	5.6
113.06015	41.8
115.05450	9.6
117.07025	33.6
119.04948	4.4
119.08590	29.9
121.06516	15.7
121.10152	13.0
123.04416	3.8
123.08076	10.5
125.09576	2.2
127.03924	8.4
128.06221	11.6
129.07011	28.8
130.07811	3.4
131.04898	2.9
131.08571	35.6
133.06493	11.6
133.10138	19.2
135.08069	41.1
135.11710	12.5
137.05983	4.6
137.09586	2.2
141.07034	7.9
142.07770	3.8
143.08563	23.0
144.05745	2.0
144.09299	1.4
145.06490	10.0
145.10120	22.8
147.08078	17.2
147.11684	14.5
149.09625	8.9
149.13283	4.8
151.11214	1.6
153.07072	2.3
154.07809	1.8
155.08554	7.5
156.09320	2.1
157.06468	3.5
157.10184	12.1
159.08070	8.8
159.11710	15.2
161.05962	2.2
161.09639	15.4
161.13284	6.0
163.07475	1.5
163.11226	8.2
165.07045	2.5
166.07756	1.5
167.08536	4.5
169.06544	2.2
169.10170	9.1
171.08055	4.6
171.11678	14.9
173.04443	6.0
173.09644	3.7
173.13287	5.6
175.07596	2.3
175.11159	6.8
177.12741	6.1
181.10138	4.5
183.08044	1.8
183.11703	4.4
185.09685	3.8
185.13298	5.1
187.11205	5.9
189.12766	4.8
193.10201	1.8
195.08105	1.9
195.11699	5.7
195.13644	3.0
197.09657	2.1
197.13242	3.5
199.11227	3.0
199.14867	3.3
201.12816	4.0
203.14307	2.1
205.10150	1.8
205.12175	3.4
207.11813	2.9
207.13829	7.2
211.11238	1.9
211.14951	2.4
213.12715	2.6
215.13974	1.4
217.15872	17.1
219.13734	2.7
221.13385	1.6
223.13225	2.5
227.17941	1.5
233.13287	1.9
233.15437	2.5
237.16354	2.3
245.18912	4.7
251.14375	1.9
255.17520	5.4
259.17032	2.9
263.16550	1.7
269.15433	4.8
273.15469	3.0
273.18503	53.2
275.20056	3.7
279.15912	7.8
281.17493	6.1
287.16403	6.3
291.19562	96.7
309.20630	1.8
347.22266	12.7
351.17929	4.2
361.20178	2.4
365.23306	7.1
381.20398	2.1
389.18988	2.0
407.20572	4.1
425.21677	2.8
553.35321	10.4
571.36182	4.7
633.37769	2.7
651.38574	2.6
675.37469	1.9
679.38031	2.9
697.39539	4.7
715.40656	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05516	1.0
57.03437	0.6
58.84183	0.6
61.02927	1.2
65.52415	0.6
67.05499	3.1
69.03433	0.8
69.07073	0.6
70.06573	0.6
70.66418	0.5
71.51562	0.7
73.02916	0.5
77.26633	0.6
79.05489	1.6
81.03420	1.1
81.07052	1.5
83.04948	0.6
83.08633	0.6
85.02911	1.5
91.03975	1.1
91.05479	1.9
93.07062	1.7
95.04958	0.6
95.08638	1.0
97.02882	1.3
97.06547	0.5
105.07052	1.5
107.08643	0.7
109.10177	1.5
111.04485	0.6
119.08580	0.7
125.46617	0.6
131.08527	0.7
133.10139	0.7
135.11696	0.6
139.03821	0.8
147.04477	0.8
171.11736	0.6
175.09602	0.6
184.79431	0.5
185.04271	1.8
201.03764	1.2
203.05324	2.1
243.08510	0.7
257.06345	0.7
259.08023	1.9
317.08640	1.2
319.10123	0.8
331.10077	1.4
347.09555	4.0
363.08966	1.6
365.10858	3.0
391.24451	0.9
413.17883	1.5
421.13275	2.0
453.21149	1.1
469.20551	1.4
483.22128	2.0
493.15366	3.8
507.16443	0.9
521.18640	0.9
549.21954	0.7
553.29907	8.5
577.24451	1.5
617.27039	0.7
625.31830	7.6
641.31470	5.9
643.32947	1.6
645.26483	1.0
669.34613	0.8
697.34430	3.2
697.45758	0.6
715.35059	100.0
716.35547	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	715.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03929	2.3
55.01885	1.8
60.44824	1.2
65.03940	2.8
68.99783	7.4
70.75475	3.8
70.75817	1.2
77.03908	1.3
79.05487	2.3
81.03400	3.2
84.04501	1.3
85.02894	2.2
91.05487	6.7
95.04980	4.6
100.48584	1.1
105.03369	1.9
107.04958	71.6
108.05261	1.4
109.02876	2.0
111.00820	2.7
111.04430	3.3
117.03455	1.4
119.04947	38.8
121.02854	5.3
123.04432	100.0
127.03922	44.4
127.04656	0.7
131.04904	1.4
133.06464	4.4
135.04411	18.3
136.03882	1.8
137.01363	1.1
137.02374	7.6
137.05959	2.7
139.03903	36.1
140.07056	1.5
145.06499	8.5
147.04411	38.8
149.02304	9.4
149.05923	1.9
151.03911	20.3
153.01831	11.6
153.02966	2.0
154.04980	10.2
157.06499	4.6
159.04442	3.4
161.05991	6.0
163.03900	27.5
165.05461	3.7
167.03401	16.3
169.06528	2.5
171.04422	8.6
173.05988	1.7
175.03893	5.1
177.05508	4.0
179.03377	10.9
182.08154	7.1
183.08452	3.0
185.05977	4.8
187.03903	4.3
187.07571	4.2
189.05479	9.4
191.03404	17.4
193.05031	4.5
197.05904	1.7
199.07556	1.7
200.09215	2.1
201.05450	7.0
203.03383	15.9
203.07083	1.6
205.05023	2.7
212.09331	1.4
213.05466	4.8
215.03317	2.1
215.07059	3.0
217.04950	2.4
225.05428	1.6
227.07018	3.9
229.04936	7.4
231.06534	23.7
233.04492	7.3
237.05583	1.2
239.07117	1.8
241.04996	2.3
243.06528	13.0
245.04556	11.7
245.08043	3.1
247.06046	8.5
255.06531	13.9
257.04471	11.3
259.05984	6.3
267.06561	7.6
269.04483	6.4
271.05978	9.2
273.07574	25.8
275.05487	19.0
283.05948	4.8
285.07608	19.1
287.05518	33.1
289.07028	4.7
291.08661	2.7
299.05472	4.5
301.07025	5.3
303.08536	1.3
312.57355	1.6
391.08051	4.6
393.09717	17.5
405.09747	1.9
409.09268	13.6
411.10889	3.0
419.36951	1.2
426.11829	4.7
427.11658	5.7
547.12415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75168	0.5
55.01866	1.6
56.49020	0.5
60.09899	0.5
64.75787	0.4
65.03945	1.5
67.05501	1.2
68.99788	2.4
69.03385	0.5
70.06576	0.5
83.04968	1.3
91.05463	1.9
93.03421	0.9
95.04973	2.3
97.02900	0.8
98.21606	1.1
107.04971	2.7
111.04446	3.4
115.05470	0.7
119.04963	6.4
123.04437	56.1
124.04728	0.5
127.03926	2.0
131.05023	0.5
135.04439	1.3
137.02338	0.8
139.03911	100.0
140.04277	1.0
143.04945	1.9
147.04414	20.3
148.04715	0.6
151.03926	3.5
153.01819	0.5
153.05484	1.2
161.05980	6.4
163.03876	4.0
165.05501	15.0
169.04997	1.4
175.03931	1.1
177.05466	1.1
179.03462	0.6
179.07045	2.6
181.05020	1.0
189.05463	1.9
191.03360	0.7
201.05479	0.7
207.06543	11.3
219.06570	0.9
229.05016	1.1
231.06535	1.2
234.83961	0.5
245.04514	0.9
249.07739	0.6
257.04584	1.0
259.06094	1.3
271.06116	0.7
273.07568	2.9
285.07730	0.6
287.05548	1.1
289.07101	0.8
291.08646	39.4
292.09009	0.9
327.95450	0.5
359.29990	0.5
409.09485	1.2
429.32617	0.5
545.11249	0.7
734.81976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54670	0.5
52.15091	0.6
53.03938	0.9
55.01877	1.1
55.05509	1.5
57.03438	2.1
61.02925	5.3
61.18672	0.6
65.03963	0.8
65.90454	0.6
65.91286	0.6
67.05511	2.9
69.03456	2.8
69.03767	0.6
71.04990	1.0
71.51326	0.7
73.02922	2.7
79.05493	2.8
81.03418	6.1
81.07078	3.4
83.08618	1.5
85.02913	5.5
85.06599	0.7
91.03957	2.3
91.05486	3.0
93.07043	3.4
95.04996	2.7
95.08604	1.3
97.02914	3.9
97.06547	1.1
97.10177	0.6
99.04478	1.0
101.02385	1.5
101.32008	0.6
105.07031	2.1
107.04950	1.4
107.08602	2.0
109.02842	0.8
109.10157	0.8
111.08082	1.0
115.03967	0.6
119.04926	0.8
119.08604	2.3
121.06541	0.7
121.10131	3.0
123.04417	0.8
127.03930	1.7
129.07056	1.6
131.08595	1.6
133.10172	2.0
137.06020	1.9
147.11737	1.3
149.09680	1.6
151.04013	0.9
157.10149	1.5
161.06004	1.0
167.07077	1.6
167.98529	0.7
175.11203	1.6
193.12256	2.2
211.13377	1.2
243.08498	2.8
250.14391	0.8
251.12596	2.3
252.15967	1.2
269.13647	0.8
357.81097	0.6
443.18866	4.8
469.20529	12.2
487.21579	4.7
500.82956	0.6
671.32544	2.6
678.59357	0.7
697.33801	1.7
715.35132	100.0
716.35681	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	714.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03948	0.9
55.01857	0.9
65.03935	0.7
68.99799	4.2
71.50977	0.9
77.03922	1.4
89.14234	0.5
92.04997	2.7
95.04962	1.9
103.05464	1.0
105.03397	2.0
107.04968	1.2
108.04510	1.4
111.00811	6.2
111.04456	1.8
115.05463	0.9
117.03355	0.7
119.04940	0.9
121.02908	0.7
123.04433	89.8
124.04745	1.1
127.03909	7.0
131.04956	1.8
133.06502	0.8
135.04428	11.0
136.03934	3.0
137.02344	2.9
139.03911	10.2
143.04895	1.0
147.04395	9.5
149.02316	2.2
149.06003	1.1
151.03926	4.4
153.01859	1.2
154.04996	100.0
155.05183	1.2
159.04440	1.2
161.05981	2.4
163.03903	9.5
163.07544	1.4
167.03424	1.5
173.05992	1.9
175.03876	2.0
177.01776	0.7
177.05444	2.4
179.03363	3.8
181.06465	0.8
185.05977	1.3
187.03915	2.2
189.01941	0.6
189.05449	5.4
191.01904	0.6
191.03366	3.8
197.05940	0.8
201.05444	3.7
203.03384	4.5
211.07506	0.6
213.05458	0.8
215.03363	1.9
215.06932	1.1
217.05066	0.7
225.05418	1.0
229.04982	5.6
230.05504	0.7
231.03018	1.3
231.06583	1.2
233.04424	1.4
237.05524	0.7
241.04930	1.0
243.06607	1.5
245.04495	3.2
247.05989	7.1
255.06583	1.1
257.04434	12.3
259.05762	1.0
265.05148	0.8
269.04422	2.6
271.05997	8.6
273.07593	25.6
274.07813	1.1
283.06064	2.1
285.03885	0.7
287.05435	4.7
288.08627	4.9
295.06122	1.2
297.07504	1.0
299.05499	4.9
305.08154	0.7
307.06100	1.3
311.05478	0.9
315.08591	7.7
323.09109	1.0
325.06979	1.6
349.07224	1.5
379.08109	9.0
391.08121	6.8
393.09915	1.0
405.09937	1.0
407.07376	1.4
409.09198	26.3
410.09586	0.9
417.09540	1.0
419.07288	1.1
421.09146	17.3
425.08936	1.2
426.11795	19.0
433.09137	4.3
435.10712	1.2
543.13000	6.9
561.05841	1.3
561.13885	16.8
569.28650	0.7
577.03906	0.7
714.18408	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	714.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05515	7.2
56.05021	3.0
57.07070	3.4
58.06595	0.7
60.04520	2.4
65.63235	0.8
67.04240	0.9
67.05183	1.0
67.05509	13.2
68.05019	1.1
69.03423	1.1
69.06797	0.8
69.07074	7.7
69.31506	1.7
69.31915	6.0
70.06588	2.8
70.23897	0.9
71.08632	1.1
72.55611	0.8
73.75465	0.8
79.05492	9.2
80.05015	2.7
81.05801	1.4
81.07071	9.9
82.06589	7.4
83.08628	4.8
85.02907	1.4
91.05482	8.2
93.07044	9.5
94.06574	15.1
95.04954	0.9
95.07365	9.5
95.08605	7.5
96.08122	5.2
97.02910	0.9
97.10168	2.3
98.20808	1.7
99.42326	0.9
105.04514	1.1
105.07025	7.3
107.08598	4.1
108.08105	4.2
109.10138	3.2
110.09655	0.9
119.08596	5.6
121.10153	6.1
122.09700	2.6
123.11707	1.8
127.08027	1.1
133.10133	3.0
135.11707	2.6
147.11691	1.3
160.46103	0.9
214.84363	0.8
233.22649	2.9
245.22690	4.7
250.25365	6.6
254.24777	1.8
262.25320	100.0
263.25748	1.9
264.26743	0.9
272.25827	5.7
280.26343	7.1
314.26993	1.0
465.57416	0.9
504.47729	4.4
516.40454	1.5
516.47827	26.1
517.47821	1.2
518.15082	1.0
518.49530	5.4
534.48755	17.4
696.54016	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11445	0.8
55.01872	4.6
55.05515	13.5
57.03440	13.5
61.02942	0.9
65.03936	1.8
67.05508	22.6
69.03438	4.9
69.07076	6.7
70.01621	0.9
71.01359	1.2
71.04989	4.1
71.05809	2.1
72.08141	0.8
73.23611	0.7
79.05498	23.3
81.03423	93.9
81.07063	21.5
83.04982	11.6
83.08150	1.5
83.08626	22.8
85.02902	13.1
85.06535	1.7
91.05486	27.0
93.06476	1.6
93.07051	19.9
95.04975	29.1
95.08606	8.4
97.02893	3.3
97.06541	3.5
97.10188	6.6
99.08088	1.1
105.07036	18.4
105.52808	0.9
107.04969	10.7
107.08618	7.7
109.06536	6.6
109.10153	5.2
111.04441	2.5
111.08083	8.3
113.05995	1.7
115.05461	2.2
117.07044	3.4
119.08583	19.8
121.06499	5.4
121.10158	9.5
123.04476	1.1
123.05396	0.9
123.08067	3.2
123.11726	1.0
125.09660	5.7
128.06192	1.2
129.07004	12.3
131.08583	15.6
133.06529	4.8
133.10167	10.0
135.08051	2.3
135.11671	2.0
137.05937	2.0
137.09605	3.7
142.07784	2.3
143.08578	1.2
145.06517	4.1
145.10135	3.3
147.08040	6.4
147.11705	13.4
149.09647	7.4
155.08488	1.4
157.10130	14.0
159.08018	1.5
161.05978	1.3
163.11182	2.5
165.12776	2.8
171.11621	1.6
175.11174	13.2
181.10091	1.0
184.07338	3.0
187.11101	1.0
189.11203	1.7
191.14430	1.1
193.12256	39.1
194.12730	1.0
195.11777	1.5
205.12221	1.1
207.72202	0.8
211.13303	20.0
215.14476	1.4
219.13794	1.3
223.13257	1.2
229.14314	1.1
233.15431	1.4
249.14853	2.0
255.13800	1.7
259.13150	1.1
267.15930	100.0
268.16159	2.7
273.14951	4.6
285.16949	20.2
293.17438	1.5
301.16714	1.0
349.21680	3.0
367.22781	12.1
385.23782	12.6
403.24820	5.5
405.24402	1.4
415.24564	1.3
433.25861	11.6
441.26340	5.6
459.27426	72.6
460.27695	2.6
469.27960	1.1
477.28503	56.9
478.28644	2.3
495.29449	3.1
511.56024	0.9
513.29785	2.1
548.32758	1.2
744.56873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01865	1.0
55.05500	2.0
57.03436	2.3
59.68405	0.5
61.02931	6.7
67.05173	0.8
67.05512	8.1
69.03439	3.9
69.07072	1.3
69.68489	3.0
71.05003	3.3
73.02914	3.2
73.47466	0.5
76.36735	0.6
79.05508	4.0
79.99289	0.5
81.03426	4.4
81.07067	7.2
83.04984	1.3
83.08611	1.8
85.02914	7.3
85.06549	0.9
87.04490	0.7
91.03956	3.2
91.05486	4.8
93.07048	3.9
93.38721	0.5
94.07413	0.5
95.04980	1.8
95.08617	1.8
97.02900	4.6
97.06544	0.7
99.04482	1.1
101.02405	2.2
105.07065	2.4
107.04952	0.7
107.08607	2.2
109.02874	1.4
109.06535	0.8
109.10133	2.8
111.08112	0.9
119.08610	2.2
121.06396	0.5
121.10149	1.6
123.04439	0.9
123.08093	0.5
123.11719	1.1
127.03937	1.7
129.07056	1.1
131.08591	1.4
133.06526	0.7
133.10168	3.3
135.11658	0.8
137.06001	0.5
147.04478	2.5
147.11710	1.4
149.13271	1.0
151.11276	0.6
157.10156	1.3
159.11696	0.6
168.60023	0.5
177.05357	0.5
182.50677	0.5
185.04276	0.6
192.36301	0.5
193.12256	1.5
211.13348	0.7
217.46571	0.5
229.14325	0.7
243.08438	2.3
251.12576	1.9
267.15753	0.6
279.26434	0.5
283.15201	0.8
413.17850	3.9
441.21060	0.6
453.21085	1.5
469.20517	7.8
485.17825	0.7
485.23727	6.7
496.19675	0.6
501.22827	1.2
544.55646	0.5
583.30396	0.9
641.31543	17.6
642.31860	0.8
667.32678	0.7
713.37396	100.0
714.37878	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	710.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01871	4.4
55.05508	8.3
57.03445	8.4
57.07063	0.8
61.02938	1.1
65.03940	1.6
67.05510	31.3
69.03429	3.2
69.07074	9.3
70.27106	3.6
71.04986	4.4
79.05498	17.9
81.03426	33.6
81.07058	33.8
82.07399	1.0
83.04996	8.8
83.08625	10.7
85.02915	4.4
85.06542	4.1
91.04909	1.4
91.05486	28.5
93.07049	15.1
95.04974	14.3
95.08630	7.2
97.02926	2.1
97.06509	4.3
97.10172	2.3
98.20803	1.1
99.04484	2.3
99.08128	1.2
105.07035	22.2
106.07373	1.0
107.04983	3.7
107.08595	19.6
109.06528	4.5
109.10160	34.6
111.04446	2.2
111.08099	4.6
113.06036	2.1
117.07015	2.2
119.08578	8.7
121.06535	1.5
121.10123	5.6
123.04448	1.7
123.08074	1.4
123.11736	5.2
125.09655	1.8
127.07549	1.5
129.07007	5.3
131.08562	6.6
133.06485	1.9
133.09123	2.1
133.10138	43.0
135.11697	3.5
137.09575	1.7
142.07803	1.3
145.06557	0.9
145.10164	2.8
147.04437	3.1
147.08075	2.4
147.11679	4.3
149.09624	2.1
149.13290	1.5
151.11201	18.3
157.10114	3.8
159.11699	1.2
161.09663	2.1
163.11180	3.0
169.12289	3.4
175.11177	4.0
179.10643	1.4
193.12241	14.2
195.13814	1.5
199.71042	1.0
211.13338	7.1
212.13878	1.2
215.12836	1.7
227.12918	1.2
229.14366	2.8
245.23569	1.0
253.14365	100.0
254.14711	1.7
260.41528	1.0
261.23553	0.9
267.15918	39.2
268.16251	1.5
269.17627	4.9
271.12787	1.8
271.15457	22.0
283.15402	1.6
285.16925	7.4
287.29337	0.9
301.16583	1.0
389.23367	1.4
423.27686	1.5
445.25891	18.1
446.66052	1.0
459.27164	2.4
463.26944	46.7
464.27032	1.0
477.28534	4.1
495.29593	17.7
505.28152	1.6
513.29761	2.0
710.33765	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	709.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01899	0.6
55.05513	1.3
57.03434	1.5
61.02929	3.8
65.03931	0.5
67.05506	6.3
69.03433	2.3
69.07076	1.9
69.22107	1.3
69.22527	2.8
71.05000	3.9
73.02932	2.9
79.05502	4.6
81.03425	2.4
81.07058	6.5
83.04985	1.1
83.08627	1.4
85.02920	4.6
85.06591	0.5
91.03968	2.3
91.05483	4.6
93.07047	5.0
95.04969	1.1
95.08628	1.9
97.02905	3.4
97.06538	1.4
97.10191	0.6
99.04487	0.9
101.02393	1.6
103.04021	0.6
105.07037	2.8
107.04966	1.2
107.08613	2.0
109.02891	1.0
109.06541	0.9
109.10189	1.0
111.08059	0.5
117.07011	1.6
119.08620	1.8
121.06529	0.6
121.10155	0.9
123.11761	0.9
125.09697	0.6
127.03936	1.6
129.07031	1.0
131.08604	0.8
133.10162	2.5
135.11703	1.1
136.53413	0.4
143.08592	0.7
144.90846	0.4
145.10138	0.9
147.11731	1.2
149.13283	1.0
151.11209	1.3
159.11708	1.2
161.13310	0.6
171.11723	0.8
183.13841	0.6
195.13808	0.6
201.58362	0.5
205.32982	0.4
207.13898	0.4
243.08418	2.5
247.13034	0.5
267.15863	1.2
275.20172	0.5
369.83319	0.5
429.19858	0.5
441.21335	0.6
465.21014	6.1
485.23535	7.1
709.37726	100.0
710.38031	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	709.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22266	0.4
53.03952	0.5
55.01865	0.8
55.05500	0.5
57.03442	2.2
59.56679	0.3
60.88062	0.3
64.71425	0.3
67.05488	0.8
68.99791	1.0
69.03443	0.3
69.46889	1.8
69.47295	0.5
71.01337	0.5
71.04994	13.1
75.04491	0.6
79.05498	1.4
81.03410	0.6
81.07047	2.3
83.04990	0.9
84.04475	0.3
85.02909	13.9
87.04482	0.4
91.05484	1.1
93.07023	0.4
95.04981	1.1
95.08607	2.6
97.02890	0.4
105.03364	0.5
105.07021	0.4
107.04954	0.7
107.08588	0.3
111.04464	0.3
117.06969	0.5
119.04903	0.4
120.30446	0.3
121.02847	0.3
121.06496	0.5
123.04431	88.9
123.08070	1.1
123.19093	0.3
124.04759	0.9
129.05492	2.1
130.06866	0.6
133.02808	0.6
133.06517	0.7
135.04416	1.5
135.08014	0.4
137.02344	1.5
137.05949	0.7
139.02959	0.4
139.03931	5.0
141.01819	0.3
141.76581	0.4
145.06480	0.5
147.04474	0.9
147.06537	0.4
149.02345	0.4
149.05914	0.4
151.03880	1.9
153.01848	0.5
157.06462	0.4
161.02411	0.4
161.05949	0.4
163.03897	2.5
163.07562	1.8
165.01840	15.8
165.05495	2.2
175.03911	1.2
175.07593	0.4
177.01805	1.7
177.05507	0.6
179.03412	1.3
181.04889	0.4
183.02896	5.4
183.08160	0.3
187.03957	0.8
187.07547	0.6
189.05467	0.7
191.03354	2.1
191.07065	0.5
197.06026	0.6
198.52560	0.3
201.05530	0.5
201.09186	0.5
203.03427	0.9
203.06978	0.6
205.08609	1.5
207.02939	0.5
207.10158	8.0
213.05533	0.4
215.07060	1.1
217.08545	0.3
225.05475	0.6
229.08580	0.6
231.06525	2.2
233.08063	13.1
234.08371	0.4
243.06606	1.4
249.05037	0.5
249.07587	7.0
251.09161	1.1
255.06537	0.7
257.04572	1.0
257.08051	0.5
258.05261	0.4
269.08176	1.1
271.05984	3.7
283.06595	0.3
297.07687	0.8
299.05624	2.6
311.12836	4.0
317.06512	0.6
325.07138	0.6
339.12308	17.1
340.12787	0.5
357.13214	0.7
367.11780	15.4
368.12796	0.4
385.12820	100.0
386.13214	3.0
409.12991	0.4
531.18616	3.9
725.18182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52651	1.3
53.03948	2.2
53.48867	1.0
55.01877	1.3
55.05519	11.1
57.03437	7.1
57.07077	1.8
59.05010	1.2
61.02925	3.4
65.03922	1.9
65.14446	0.9
67.05511	49.1
69.03426	2.2
69.07071	11.4
69.93306	5.1
71.05003	16.6
72.63232	1.0
73.02932	1.8
76.72718	1.0
79.05502	15.0
81.03428	3.6
81.07066	100.0
82.07398	1.5
83.05019	5.3
83.08627	11.4
85.02894	3.5
85.06541	7.6
91.03957	1.2
91.05492	24.9
93.07053	17.5
95.04976	3.2
95.08616	13.8
97.02898	2.2
97.06530	7.6
97.10178	1.9
99.08102	3.7
105.07043	25.7
107.08604	14.3
109.06524	2.9
109.10165	6.9
111.08069	2.2
112.71105	0.9
117.07047	2.7
119.07805	1.7
119.08596	18.1
121.10149	17.3
123.08073	2.6
123.11712	28.5
125.09665	1.6
127.07559	2.9
131.08592	4.2
133.10159	12.1
135.11716	2.4
137.09528	1.3
137.13286	1.4
147.11700	41.5
149.13286	6.2
151.11208	6.2
157.10138	1.4
159.11710	4.4
165.12766	17.2
173.04613	1.2
177.12787	3.0
183.13837	3.9
187.13315	3.8
193.12338	2.1
195.13834	3.3
201.14746	1.6
229.14397	3.2
243.15973	4.0
257.17621	1.9
267.15939	48.2
269.17517	13.6
285.16995	20.2
301.20105	11.1
453.28519	40.0
467.30179	8.4
479.30109	85.1
480.30453	3.2
511.32864	27.6
512.32904	1.1
648.58594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03944	0.7
55.01869	0.6
55.05512	0.8
55.09726	0.3
57.03439	2.5
60.27644	0.3
64.95146	0.3
65.03949	0.4
67.05493	1.2
68.99800	1.3
70.06594	0.4
70.60474	0.5
71.01337	0.7
71.04997	14.0
72.08149	0.3
75.04491	0.5
77.03927	0.7
79.05474	1.3
81.03424	0.7
81.07053	2.6
83.04980	0.9
85.01131	0.5
85.02911	13.1
87.04464	0.5
91.05486	0.8
93.07043	0.6
95.04976	1.4
95.08609	2.0
105.03408	0.6
105.04510	0.5
105.07025	0.8
107.08588	0.6
111.04428	0.8
117.06996	0.5
121.02834	0.4
121.06506	0.8
123.04433	91.8
124.04774	0.7
129.05453	2.0
130.06868	0.6
130.08611	0.4
133.02823	0.5
135.04424	1.4
137.02354	1.1
137.05963	0.7
139.03912	5.4
147.04437	1.0
149.02359	0.5
151.03937	1.2
153.01752	0.7
161.02347	0.6
161.06026	0.6
163.03940	2.1
163.07549	1.4
165.01845	17.7
165.05420	2.2
165.09189	0.4
167.03421	0.7
167.06979	0.4
175.03914	0.6
175.07452	0.5
177.01833	1.6
177.05394	0.4
177.09175	0.4
179.03386	1.0
179.07021	0.5
180.12981	0.3
181.04988	0.4
183.02905	6.3
187.03917	0.9
187.07607	0.4
189.01860	0.4
189.05464	1.4
191.03386	2.2
193.05028	0.5
203.03384	0.9
205.08618	2.0
207.10184	9.2
215.07028	0.7
216.60555	0.4
217.05002	0.3
223.07600	0.4
225.05524	0.6
225.77060	0.3
229.04996	0.7
229.08572	0.7
231.06544	1.7
233.08052	14.9
243.06444	1.7
249.07596	6.8
251.09163	1.4
255.06497	0.6
257.04385	0.9
257.08124	0.5
258.05328	0.5
269.08038	1.1
271.06052	3.4
297.07620	0.9
299.05557	3.2
299.66138	0.3
311.12796	4.9
325.07068	1.2
339.12286	18.2
367.07123	0.6
367.11768	16.0
385.12827	100.0
386.13022	2.7
397.12704	0.3
409.12769	0.4
531.18744	4.1
734.06372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22842	0.7
53.03948	2.8
55.01860	1.6
55.05513	7.6
57.03440	9.2
57.07081	1.0
59.05001	0.7
64.03464	0.7
65.03955	1.4
67.05508	29.2
69.03424	1.2
69.07070	9.4
69.26780	4.3
69.27203	3.1
71.05009	5.2
71.08643	0.8
78.31386	0.9
79.05502	18.9
81.03423	42.5
81.07062	39.0
83.04988	5.8
83.08620	13.5
85.02910	2.8
85.06543	2.3
91.05488	15.0
93.07050	26.8
95.04977	12.9
95.08608	10.8
97.02892	1.4
97.06517	4.6
97.10196	2.3
99.08107	1.9
105.04544	0.8
105.07034	9.9
107.04959	3.1
107.08604	14.9
109.06530	2.3
109.10181	2.9
111.04450	1.1
111.08073	6.3
113.06052	0.9
117.07041	3.2
119.04981	1.1
119.08591	8.2
121.06546	1.4
121.10150	12.0
123.04314	0.9
123.11700	2.1
129.06999	3.7
131.08574	7.2
133.06512	1.5
133.10138	6.8
135.08023	0.7
135.11691	4.1
142.07704	1.0
147.04401	0.8
147.08043	1.1
147.11707	5.5
149.09583	3.8
149.13263	15.3
151.11237	1.6
157.10162	5.0
159.11722	6.7
163.11243	1.0
165.12715	1.3
175.11215	5.9
177.12784	2.9
193.12276	12.7
193.15160	0.8
195.13907	3.8
211.13283	4.4
246.02791	0.8
249.14873	1.6
267.11655	1.0
267.15930	45.9
269.17493	55.4
270.17969	1.2
285.17026	2.5
301.20102	1.6
387.25690	1.0
435.27252	6.3
443.28027	1.8
453.28506	6.0
461.29016	100.0
462.29449	3.0
467.30267	1.1
479.29959	6.6
494.79190	0.9
503.30020	1.7
511.32953	7.2
569.31958	1.1
632.36981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01874	3.8
55.05517	17.8
55.84323	1.4
57.03442	18.3
57.07065	2.4
59.04984	2.5
61.02917	4.6
65.03952	3.1
67.05508	73.4
69.03419	5.4
69.07078	9.2
71.04996	25.3
73.02919	3.3
76.10542	1.5
79.05496	35.8
79.64566	1.3
81.02935	1.6
81.03424	59.3
81.07062	100.0
82.32806	1.3
83.04987	14.1
83.08623	23.0
85.02912	20.5
85.06551	7.3
87.04495	1.8
90.64529	1.3
91.05484	45.5
92.70451	1.4
93.07051	28.9
95.04973	26.3
95.08607	17.3
97.02901	5.8
97.06538	9.0
97.10155	6.7
99.04455	1.7
99.08106	2.5
99.50260	1.3
105.04534	1.7
105.07032	33.8
107.04950	5.7
107.08601	16.9
109.06519	6.6
109.10156	16.9
111.04467	2.3
111.08087	9.9
113.06036	1.8
115.05421	2.4
117.07042	4.8
119.08594	19.5
121.06498	3.0
121.10158	12.6
123.08006	2.3
123.11733	10.8
123.85508	1.3
125.09637	3.7
129.07016	10.4
131.08595	13.7
133.06483	2.7
133.10150	25.0
135.08054	1.9
135.11684	5.5
137.09630	2.5
142.07855	3.2
145.06541	1.3
145.10144	4.3
147.08006	2.8
147.11690	14.5
149.09616	5.0
149.13264	5.2
151.11203	6.4
157.10149	14.1
157.25980	1.4
159.11722	5.7
163.11172	3.7
165.12819	2.0
173.11761	2.6
175.11209	12.6
177.12766	1.9
183.13785	2.1
187.13333	4.1
193.12257	34.2
195.13835	3.0
209.11765	2.0
209.28429	1.4
211.13315	47.2
225.14915	2.5
227.12805	2.7
229.14331	13.9
243.15895	4.2
267.15909	18.0
269.17545	14.7
283.15463	1.7
285.16971	29.0
301.16556	3.8
301.20126	15.6
306.31674	1.6
311.66360	1.5
349.23746	3.9
417.26352	2.2
421.25574	2.1
429.48526	1.5
435.27487	25.9
439.27014	8.6
443.28259	1.8
453.28510	62.2
454.28699	2.0
461.29019	38.2
462.29724	1.5
467.30157	9.0
479.30045	46.7
493.31836	2.4
511.33377	39.0
512.33466	2.1
529.30029	2.3
536.89008	1.6
715.58002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.38
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.5
51.99859	2.0
53.03938	8.2
55.01873	19.0
55.05513	43.6
57.03440	32.0
59.04992	2.6
61.02916	7.6
65.03929	4.0
67.05506	82.5
68.17818	2.1
69.03429	11.4
69.07065	21.7
69.20091	13.5
69.20499	4.2
71.01355	3.6
71.04990	13.1
73.02908	7.8
79.05494	63.3
81.03420	100.0
81.07056	72.0
82.04171	2.4
83.01331	1.9
83.04980	38.2
83.08147	3.1
83.08617	39.7
85.02905	35.4
85.06541	6.7
87.04427	2.1
91.03925	2.6
91.05480	68.8
93.07043	47.7
95.04970	49.5
95.08601	24.7
97.02898	15.4
97.06507	15.1
97.10172	17.6
98.07269	4.2
99.04434	4.6
99.08023	3.0
105.07037	43.1
107.04955	23.2
107.08585	31.4
109.02901	2.1
109.06530	11.6
109.10159	30.2
111.04433	12.1
111.08083	21.4
113.05984	4.6
115.05412	2.3
116.04706	7.1
117.07032	10.4
119.08581	39.8
121.06491	7.0
121.10148	26.3
123.04371	2.4
123.08049	11.9
123.11685	5.6
125.09620	19.4
129.05499	19.1
129.06987	18.6
131.08575	24.8
133.06487	6.0
133.10132	21.8
135.08057	5.8
135.11671	20.5
137.09622	7.5
142.07770	4.2
143.07065	5.5
145.06494	3.8
145.10115	20.6
147.08031	7.1
147.11681	24.7
149.09619	12.9
151.07497	1.8
151.11148	3.8
153.09134	3.1
153.12724	7.8
155.08545	2.6
157.08638	8.8
157.10121	20.2
163.11179	25.3
165.12746	4.5
171.10130	4.7
173.09607	6.4
173.11752	6.3
175.11177	25.1
180.47810	2.1
181.12163	9.4
183.80171	1.9
184.07323	3.3
185.08002	2.0
185.11722	2.3
189.11247	5.5
191.10645	8.7
193.12244	77.6
199.13338	11.2
200.13940	3.5
209.11734	14.5
210.12379	2.1
211.13289	98.2
219.13666	3.2
227.12788	24.0
229.14444	15.2
255.15837	4.5
265.14337	4.3
267.15952	43.8
283.15384	34.7
284.16119	2.1
285.16965	64.4
299.14877	2.3
301.16443	61.5
339.17886	3.2
381.43512	1.9
408.25638	2.2
409.25790	5.3
421.25558	8.9
427.26364	3.0
435.27545	2.9
439.26962	18.1
461.28558	9.6
475.26944	11.7
476.27725	3.8
477.28394	6.6
479.29764	4.1
493.27921	45.3
494.28506	6.2
511.21371	3.8
511.28943	68.8
561.72052	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	707.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23010	0.7
53.03937	2.9
55.01866	1.5
55.05515	18.5
57.03438	2.5
57.07075	6.0
59.84805	0.9
60.98573	0.7
65.03931	1.7
67.05507	31.5
69.03423	1.3
69.07071	16.5
69.53620	5.7
71.05003	1.4
71.08632	2.0
79.05503	18.5
81.07063	28.2
83.04938	0.9
83.08624	7.9
84.40218	0.7
85.02871	0.8
87.04474	1.3
91.05486	18.8
93.07047	20.5
93.18404	0.7
95.04965	1.6
95.08611	26.1
97.02927	0.7
97.06532	2.2
97.10186	4.8
98.98463	0.9
103.05463	1.2
105.07038	20.4
107.04989	0.9
107.08599	11.4
109.06538	1.8
109.10159	8.3
111.08029	1.0
111.11749	0.9
113.00024	47.3
115.05518	1.6
117.07025	11.6
119.08584	17.8
121.10152	6.5
123.08057	1.1
123.11745	2.1
125.09624	1.6
128.06227	3.8
129.07024	9.5
130.07767	0.9
131.08572	21.6
133.10136	10.8
135.11697	3.8
137.13239	1.0
141.06985	4.0
142.07817	1.6
143.08568	16.4
144.09363	1.0
145.10130	21.0
147.11694	7.6
149.09604	0.9
149.13290	3.2
154.07719	0.9
155.08554	8.3
156.09416	1.7
157.10141	15.5
159.11719	11.2
161.13274	4.1
163.14891	1.3
167.08652	2.7
168.09419	1.1
169.02634	2.5
169.10146	8.5
171.11710	11.5
173.13260	6.3
175.14885	3.2
177.16434	1.2
180.36998	0.8
181.10164	4.3
183.11722	7.1
185.13264	6.8
186.13846	0.8
187.03754	1.9
187.11220	1.0
187.14812	5.5
189.16446	2.6
195.11760	3.2
197.13264	5.3
199.14848	6.4
201.16356	4.7
203.18001	1.1
207.11766	1.0
209.13298	2.6
211.14830	5.2
213.16446	5.2
215.18045	2.4
223.14839	1.9
225.16458	3.6
227.18001	4.6
229.19402	1.5
231.17421	0.8
235.14827	1.0
237.16422	1.9
239.18044	2.6
241.19682	1.8
243.21216	1.6
251.17998	1.0
253.19612	1.6
255.21182	1.2
267.20959	1.1
269.22687	1.4
271.20544	0.9
283.24399	1.7
295.24274	0.9
315.23145	0.8
339.29242	1.1
343.27002	0.9
355.26279	1.9
395.33310	0.9
411.32291	1.1
439.35760	1.0
451.36063	0.9
465.37866	1.0
503.42609	1.6
521.43335	6.7
539.44647	7.8
540.08325	0.9
545.42145	1.9
559.45679	1.4
577.46442	2.8
595.47223	100.0
596.47894	4.6
613.47888	3.8
689.45154	1.1
707.46527	76.3
708.46722	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	707.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50105	3.9
53.03945	13.1
55.01870	6.2
55.05518	36.4
57.03422	12.5
57.07066	5.7
60.08161	5.3
61.02929	7.3
61.15423	4.3
67.05508	82.5
69.03419	13.5
69.07076	32.5
69.27577	10.5
69.27982	28.5
71.04984	8.3
71.08636	8.3
73.02925	5.7
79.05499	59.6
81.03427	24.1
81.07070	84.7
83.04973	12.9
83.08636	20.8
85.02915	13.1
86.09724	25.4
87.04462	9.9
87.09996	4.2
91.05490	53.4
93.07050	59.8
95.04953	11.8
95.08607	56.5
97.02886	14.4
97.06545	9.3
97.10174	8.8
98.98457	11.3
99.04482	6.3
99.08108	6.7
103.53450	5.0
105.07042	55.7
107.04986	7.1
107.08622	30.2
109.06521	4.9
109.10157	23.1
117.07016	34.0
119.08594	34.1
121.06543	10.7
121.10167	24.0
123.08064	7.4
123.11703	8.2
125.00024	15.0
125.09642	5.5
127.03889	6.4
128.06282	5.1
129.05489	6.9
129.07002	16.5
131.08592	41.7
133.10138	28.3
135.11697	16.0
143.08569	21.1
145.10135	37.9
146.10509	4.1
147.08047	7.9
147.11673	17.8
149.09622	8.1
149.13275	8.4
155.08582	18.2
157.10172	20.5
159.11670	27.3
161.13269	9.0
163.11165	7.3
169.10141	15.9
171.11673	17.1
173.13290	11.2
175.14781	7.4
177.12827	5.8
181.10147	8.3
183.11736	14.2
184.07370	100.0
185.07664	11.3
185.13297	10.3
187.14787	10.0
193.12332	5.3
195.11740	5.3
197.13297	14.0
199.14842	6.2
203.18062	5.2
209.13254	6.3
211.14851	6.4
221.13263	5.5
225.16371	4.6
240.32480	3.9
241.19621	4.5
259.20615	9.0
275.19992	7.2
277.21747	7.3
333.24222	5.5
343.25848	4.7
351.25336	6.1
435.32462	13.0
445.29349	4.4
453.33560	17.3
471.34973	7.1
509.36322	7.8
517.39008	9.8
527.30090	6.6
527.37292	82.9
528.37579	7.1
545.38446	67.7
609.45135	31.8
671.40808	5.2
689.42181	11.0
707.37305	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	707.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01882	2.3
55.05272	1.1
55.05518	14.8
56.29396	1.0
57.03423	2.7
57.07085	5.7
65.03948	1.1
67.05178	1.7
67.05513	26.6
69.03429	1.4
69.07076	15.4
71.04975	1.2
71.08633	1.9
71.51233	1.2
77.71128	1.0
78.92596	0.9
79.05499	17.0
80.36110	1.1
81.07066	30.5
83.04992	2.3
83.08630	8.7
85.10179	1.2
87.04469	4.6
90.86591	1.1
91.05483	18.1
93.07048	20.1
95.04960	1.8
95.08620	22.1
97.06525	2.6
97.10191	5.9
98.98449	1.8
103.05481	1.1
105.07045	21.0
107.08586	10.0
109.10159	6.2
111.08100	1.4
113.00024	43.7
115.95884	0.8
116.90497	0.9
117.07027	11.1
119.07782	1.8
119.08591	17.0
121.10189	7.3
123.08080	1.1
123.11726	3.6
125.09643	1.8
128.06221	2.0
129.06995	9.0
130.07828	1.1
131.08588	20.4
133.10144	10.6
135.11671	4.9
137.09674	1.3
137.13252	1.9
141.07018	4.1
142.07806	1.3
143.08575	14.9
145.10146	19.2
147.08047	1.1
147.11690	6.4
149.09647	1.8
149.13275	1.8
155.08559	7.1
157.10143	12.5
159.11737	9.3
161.13287	5.0
163.11241	1.6
163.14813	1.4
167.08551	2.1
169.02672	3.1
169.10149	9.9
171.11699	11.4
173.13306	7.8
175.14880	3.8
181.10197	3.3
183.11710	6.3
184.07401	1.7
185.13306	7.7
187.03619	1.1
187.14784	5.8
189.16396	2.3
193.10222	1.6
195.11752	3.3
197.13300	5.6
199.14868	6.3
201.16420	5.5
203.17984	1.8
209.13350	3.0
209.94481	1.0
211.14862	3.8
213.16354	4.5
215.17993	3.9
217.19405	1.2
221.13377	1.3
223.15027	1.5
225.16478	2.8
227.18039	4.4
229.19539	2.0
237.16435	1.3
239.18056	2.6
241.19673	2.2
251.18018	1.4
253.19661	1.3
255.21098	1.9
257.22733	1.1
258.90652	1.0
259.20673	1.0
267.21185	1.3
269.22717	1.6
271.24435	1.6
275.20261	1.6
281.23022	1.2
283.24280	1.0
311.23926	1.4
317.24631	1.0
319.93735	0.9
339.27008	1.5
353.24832	1.4
355.26169	1.6
383.29425	1.2
385.31592	1.1
390.38541	1.0
413.34470	1.7
439.35873	1.3
503.42441	1.8
521.43616	6.6
539.44678	7.4
577.46307	3.6
595.47260	100.0
596.47522	3.2
609.45355	4.4
613.48297	5.3
654.03693	1.0
707.35077	3.2
707.46448	68.8
708.46484	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	707.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16502	0.6
70.71513	1.6
82.99825	1.2
94.93013	0.7
97.02888	0.6
97.99782	0.5
100.91672	0.5
101.00884	5.9
113.00899	1.4
119.01920	7.6
122.01386	1.2
127.02425	1.7
131.01935	3.4
139.02428	1.3
140.05307	0.5
140.98055	0.5
143.01906	17.6
145.03502	6.5
155.01912	10.9
157.03482	2.2
161.02956	10.6
167.01894	10.0
167.03261	0.6
169.03467	2.0
171.05042	1.7
173.02971	13.2
179.01891	4.8
180.53812	0.6
185.02965	29.4
187.04514	3.3
197.02979	11.5
203.04044	6.8
209.02950	0.7
215.04034	6.0
219.87947	0.6
227.04033	8.3
239.03984	0.9
245.05089	100.0
246.05310	2.6
257.05060	5.3
263.06143	10.1
275.06140	11.2
284.06729	1.4
293.07294	2.6
305.07190	9.3
322.95221	0.7
325.73892	0.6
335.08221	3.1
364.96487	1.8
365.09329	41.3
366.09567	1.2
383.10345	1.8
422.96252	0.7
425.11420	33.2
426.11713	1.2
437.11389	2.3
455.12427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
55.01868	0.2
55.05514	0.9
56.05044	0.7
57.03441	0.4
57.07075	0.4
58.06620	0.5
60.08167	5.0
67.05505	1.6
69.03427	0.3
69.07066	0.5
71.07380	3.4
71.51580	0.3
79.05496	1.0
81.03442	0.7
81.07061	1.5
82.07397	0.3
83.08627	0.3
85.02922	0.2
86.09711	30.8
87.04475	1.3
87.10041	0.2
91.05487	1.4
93.07038	1.1
95.04966	0.5
95.08601	1.1
96.76234	0.2
97.02896	0.3
97.10173	0.3
98.98468	3.3
104.10742	2.4
105.07044	1.0
107.04940	0.2
107.08590	0.6
109.06499	0.2
109.10172	0.4
111.04419	0.2
113.09751	0.2
115.43288	0.1
117.07033	0.5
119.08581	0.6
121.06525	0.2
121.10142	0.4
123.11706	0.2
125.00012	20.9
127.03904	0.2
129.07002	0.3
130.08607	0.2
131.08557	0.4
133.10124	0.6
135.11725	0.2
143.01108	0.2
145.10086	0.3
147.11687	0.3
147.45372	0.2
149.09630	0.2
149.13293	0.2
157.10188	0.2
159.11700	0.3
163.11238	0.2
171.11729	0.2
179.14401	0.2
184.07352	100.0
185.07732	0.6
274.47754	0.2
275.20053	0.2
276.20477	0.2
460.79416	0.2
478.33047	0.2
496.33957	0.2
544.37219	0.5
688.44324	0.3
689.43304	0.2
706.46674	5.9
707.47034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01877	1.9
55.05516	15.7
55.39925	1.2
57.03447	8.1
57.07061	1.5
57.72381	1.3
58.20293	1.3
61.02927	2.5
65.03952	1.8
67.05510	49.4
68.59724	1.4
69.03425	3.4
69.07081	11.2
71.04648	2.1
71.04999	22.6
75.07352	1.6
79.05069	2.4
79.05498	33.5
81.03414	8.8
81.07061	74.7
82.07406	1.8
83.04977	8.5
83.08623	14.0
85.02898	3.2
85.06550	6.5
91.05485	28.9
93.07050	50.1
95.04977	8.4
95.08614	38.0
95.09093	0.8
97.02880	7.3
97.06530	7.6
97.10162	4.1
99.04461	6.1
103.43278	1.4
105.07031	17.0
107.04921	6.5
107.08608	35.9
109.06530	3.5
109.10172	12.8
111.04422	3.4
111.08091	3.6
117.07011	10.5
119.08593	11.8
121.06506	8.5
121.10152	14.3
123.08038	1.7
123.11718	10.0
125.05999	2.0
125.09624	2.6
130.07756	1.6
131.04971	1.3
131.08586	6.7
133.10146	18.0
135.08063	5.0
135.10695	3.1
135.11703	54.1
143.08586	2.7
145.10129	26.1
145.62405	1.4
147.11636	2.4
149.13264	5.7
151.11163	9.3
153.12727	1.9
159.11710	4.9
163.11194	65.2
169.12230	1.6
175.45355	1.4
177.12798	2.4
181.12245	12.2
183.13823	3.2
187.13304	3.4
193.12302	2.0
195.13792	2.5
225.14888	4.4
227.12798	64.5
228.13191	1.7
229.14342	1.9
257.17587	3.7
267.16013	4.8
269.17502	6.3
281.17773	1.4
283.15408	26.4
301.20148	23.2
329.67236	1.6
385.23810	1.7
398.62375	1.4
451.26910	74.1
452.27216	3.7
459.27512	3.5
465.28540	15.5
477.28525	100.0
478.29025	3.2
491.29919	4.3
509.31155	65.9
510.31555	3.7
544.37170	2.9
548.11548	1.3
706.27563	2.0
706.41516	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	705.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
53.03948	11.9
55.01872	3.9
55.05512	24.9
55.81212	1.3
57.03440	7.9
57.07077	3.5
57.37026	1.1
59.04988	1.4
61.02930	1.5
65.03935	5.3
67.05507	88.2
67.98808	1.2
68.05845	1.2
69.03438	25.7
69.07070	20.4
71.04994	51.3
71.32297	1.3
79.05496	67.2
81.03421	45.9
81.07059	100.0
83.04988	10.3
83.08616	13.2
85.02913	7.8
85.06541	6.8
86.09701	1.7
91.05486	62.3
93.07046	59.7
95.04977	11.8
95.08614	38.2
95.09249	1.5
95.10261	1.3
97.02888	13.8
97.06527	7.2
97.10178	4.2
98.98483	3.4
99.04446	6.4
99.08111	1.7
105.04507	2.4
105.07037	41.3
107.04964	5.3
107.08600	32.9
109.02918	9.4
109.06519	6.9
109.10150	17.5
110.66024	1.4
111.04448	5.8
111.08085	4.2
115.05495	1.4
117.07021	15.1
119.08589	17.8
121.06522	4.0
121.10149	23.1
123.04423	1.4
123.08095	3.8
123.11718	12.8
125.09707	1.6
127.03884	7.6
128.06241	1.5
129.05525	1.8
129.07011	5.9
131.08569	21.0
131.09525	1.6
133.06531	2.1
133.10136	29.1
133.11118	2.4
135.08080	1.8
135.11710	14.6
137.09625	2.1
141.07050	2.7
143.08508	7.1
145.06505	3.5
145.10135	11.0
147.08099	1.8
147.11700	10.5
149.09630	3.0
149.13272	13.5
151.11189	7.4
155.08592	3.6
157.10187	4.7
159.08139	2.0
159.11693	17.5
161.09550	1.7
161.13275	5.2
163.11139	1.9
163.14880	3.2
165.12822	2.0
167.08667	2.4
169.10176	3.5
169.12154	1.6
171.06554	1.5
171.11711	4.8
173.04466	12.1
173.09676	1.8
173.13254	3.1
175.11209	1.8
175.14871	1.8
177.12735	9.9
179.14371	1.4
181.10225	1.7
183.11720	3.1
183.13840	5.6
184.07338	2.1
185.13318	2.3
187.13333	12.2
187.14857	2.2
193.12271	2.9
195.13829	6.8
197.13210	2.1
199.14777	1.4
201.14915	4.1
209.40730	1.3
213.12956	1.9
213.14914	1.7
223.14882	1.3
227.12790	1.4
241.19728	1.5
243.15915	1.8
243.21155	2.2
257.17636	2.5
259.20639	2.4
261.22195	4.2
269.17523	2.5
275.20270	3.2
283.19153	1.7
301.21597	2.0
317.24802	1.6
321.17020	2.0
322.23483	1.4
335.25961	5.7
337.27667	2.5
339.18033	6.7
349.23746	1.8
349.27588	4.1
351.23294	1.9
369.24405	4.9
387.25446	3.2
395.20822	3.2
425.27078	2.0
427.23465	5.3
443.27866	2.9
461.28775	3.4
503.37411	2.4
517.39001	9.2
533.39667	1.8
561.41315	3.9
593.45203	3.6
607.43079	6.5
673.42944	7.3
687.43359	2.4
705.45746	60.1
706.45990	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	706.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03183	2.1
53.03938	5.0
55.01865	4.4
55.05512	14.5
57.03442	14.5
59.71054	1.2
61.02921	2.1
63.78757	1.1
65.03933	2.7
67.05183	1.9
67.05509	27.1
69.03435	6.4
69.07059	6.2
71.04977	4.6
71.51175	1.7
71.51580	1.6
79.05072	2.2
79.05498	27.6
81.03423	95.3
81.07065	26.9
83.04987	12.6
83.08630	21.4
85.02917	12.2
85.06497	3.1
91.05489	35.1
93.07045	20.0
95.04975	31.5
95.08612	13.3
97.02883	5.2
97.06544	5.7
97.10174	4.7
105.06395	1.8
105.07039	22.7
107.04973	11.5
107.08601	13.3
109.02881	2.9
109.06525	5.8
109.10157	7.2
111.04427	3.9
111.08097	10.8
113.05999	2.3
117.07021	5.0
119.08585	20.9
120.08031	1.3
121.06513	6.8
121.10140	10.4
123.04413	3.4
123.08053	4.7
123.11671	1.7
125.05956	1.2
125.09638	3.6
129.07007	13.6
131.04968	1.7
131.08575	14.6
133.06490	3.7
133.10150	11.9
135.11700	7.4
137.05937	1.3
137.09659	2.5
142.07771	2.8
145.06487	6.5
145.10095	5.2
147.08064	4.9
147.11681	12.5
149.09654	7.7
151.11180	1.8
157.10132	13.3
159.08105	2.0
161.05917	1.4
161.09642	2.9
163.11191	11.2
165.12753	2.7
171.08191	1.5
173.09563	1.8
175.11186	13.9
182.12427	1.3
189.11211	3.1
193.12250	36.1
197.13283	1.5
209.11714	1.8
211.13293	19.2
227.12721	9.4
249.15013	2.4
255.13892	2.5
260.54645	1.2
267.15930	100.0
268.16241	1.6
273.14828	4.2
281.13809	1.5
283.12534	1.5
283.15268	9.0
285.16980	18.9
299.14935	4.9
301.16550	2.8
341.21338	1.7
349.21613	3.0
367.22601	10.6
374.58636	1.3
385.23856	12.5
403.24634	3.0
405.24588	1.9
433.25845	11.1
441.26404	7.8
459.27457	66.5
460.27640	3.1
473.25183	1.7
477.28522	44.8
478.28952	1.4
491.26086	12.3
509.27356	16.3
660.79730	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
55.01875	3.0
55.05515	22.3
57.03429	6.5
57.07077	8.3
59.06116	1.6
59.18610	1.4
64.20452	1.4
65.03939	2.5
67.05508	42.5
69.03417	5.7
69.07072	18.6
70.45975	5.9
71.04998	2.7
71.08632	3.2
79.05495	27.5
81.03439	8.3
81.07063	48.5
82.07371	1.9
83.04972	4.9
83.08624	10.5
85.02890	2.6
87.04478	2.7
89.06036	2.1
91.05482	26.7
93.06482	2.2
93.07047	25.9
95.04966	3.1
95.08055	2.6
95.08615	30.6
96.09013	1.6
97.02895	2.1
97.06528	4.2
97.10157	6.0
105.04540	1.5
105.06385	2.6
105.07037	25.7
107.04970	2.3
107.08582	17.9
109.02827	1.9
109.06523	3.4
109.10166	13.3
111.08040	1.7
113.00024	48.4
115.05463	2.4
117.07021	12.8
119.08581	21.6
121.10147	12.7
123.08054	2.7
123.11712	4.2
125.09650	2.8
128.06227	4.5
129.07001	15.1
131.03302	1.5
131.08588	22.2
133.10133	11.1
135.08073	2.1
135.11716	6.9
141.06992	6.6
142.07793	4.7
143.08571	22.9
145.10107	19.5
147.10698	1.7
147.11691	10.0
149.09578	2.2
149.13322	2.3
153.06975	1.7
154.07864	1.9
155.08556	13.8
156.09338	1.5
157.10144	17.8
158.30626	1.6
159.11693	13.7
161.13268	5.1
167.08629	6.1
169.02637	5.1
169.10112	20.6
171.11671	19.4
173.13304	7.5
174.22644	1.3
175.14871	3.1
180.09319	1.6
181.10121	10.7
181.22964	1.6
182.11067	1.7
183.11717	14.3
184.07343	2.6
184.12334	1.9
185.13275	8.6
187.03671	2.0
187.14893	2.7
193.10173	3.3
195.11697	6.0
197.13254	10.0
199.14824	6.4
207.11800	2.2
209.13303	7.0
210.14134	1.5
211.14836	9.3
213.16431	4.3
214.17474	1.5
221.13356	2.4
223.14825	5.3
225.16406	6.7
227.17989	2.7
229.19569	1.8
235.14883	3.2
237.16455	4.0
239.18011	4.2
241.19617	3.6
249.16434	2.6
251.18071	2.9
253.19650	3.0
255.21225	1.6
265.19647	1.7
267.20755	2.2
269.22806	2.2
275.20218	1.7
281.17648	1.5
295.43381	2.3
309.27963	2.6
337.27545	9.4
355.26559	1.7
423.32458	2.0
451.35480	2.4
501.41049	3.5
519.41943	9.4
537.43408	8.6
543.40411	6.6
575.44537	2.9
593.45660	100.0
594.46069	5.3
611.47003	3.4
705.44775	70.1
706.45300	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	705.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01863	1.4
55.05267	1.7
55.05515	18.8
57.03429	1.5
57.07076	6.2
61.83688	0.9
67.05509	28.5
69.07072	17.5
70.76625	2.7
71.04967	1.6
71.08642	1.5
79.05495	17.8
81.07059	25.1
83.04987	1.9
83.08624	6.5
85.06560	1.7
91.05487	19.5
93.07043	18.0
95.04986	1.9
95.08616	21.1
97.06551	2.3
97.10180	4.2
105.07032	16.6
107.08611	12.0
109.06514	1.5
109.10155	7.5
111.08047	1.6
113.00024	52.8
115.05478	2.7
117.07039	11.1
119.08582	18.3
121.10149	9.2
123.11707	1.8
125.09627	1.4
128.06229	5.1
129.07011	13.6
130.07837	1.1
131.08574	17.9
131.45215	0.9
133.10139	9.3
135.11719	4.0
137.09663	1.4
141.07008	7.6
142.07791	4.2
143.08565	20.6
145.10139	17.8
147.11691	5.3
149.13281	2.1
153.07010	2.2
154.07793	2.7
155.08556	16.2
156.09348	3.0
157.10146	18.7
158.10916	1.3
159.11697	10.1
161.13329	3.2
163.14835	1.9
165.06940	1.1
166.19894	1.1
167.08589	6.7
168.09309	2.5
169.02647	3.7
169.10139	19.9
170.10880	1.8
171.11691	15.9
173.13268	7.6
175.14873	2.3
179.08604	2.8
180.09267	1.5
181.10129	9.1
182.10774	1.5
183.11696	16.5
185.13344	8.7
187.03722	2.4
187.14864	4.4
193.10191	2.3
195.11745	10.1
197.13271	10.2
199.14861	7.4
201.16429	3.2
207.11711	3.5
209.13290	6.6
211.14821	8.6
213.16524	6.2
221.13274	2.8
223.14911	4.8
225.16290	6.4
227.18011	3.7
229.19586	1.7
235.14708	2.1
237.16440	3.6
239.18004	4.3
241.19611	2.6
251.18018	1.4
253.19637	3.1
255.21210	2.6
263.17975	1.7
265.19617	2.2
267.21069	2.2
269.22733	1.4
279.21179	1.3
280.21878	1.2
281.22437	1.5
295.24228	2.0
297.18549	1.6
299.20331	1.2
316.40610	1.1
334.28983	1.1
335.23337	1.4
339.27155	1.1
341.24789	1.5
353.24542	2.1
409.30740	1.8
423.32230	1.9
437.34171	1.7
501.40646	3.3
519.42035	12.0
537.43182	8.9
557.43781	1.9
575.44464	6.4
593.45648	100.0
594.45880	5.7
611.46960	5.9
633.46655	1.5
673.41400	1.7
687.44574	1.2
705.44849	74.5
706.45013	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	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.5
55.01883	18.0
55.05516	40.0
57.03443	15.3
57.07080	4.1
58.10384	2.1
61.02914	5.0
61.63758	1.8
65.03937	3.4
67.05511	84.4
69.03433	25.8
69.07074	34.6
69.27946	14.3
71.01339	2.6
71.05000	11.8
73.02917	2.8
77.03899	2.6
79.05500	66.3
81.03426	60.3
81.07067	100.0
82.07377	2.1
83.04996	23.7
83.08626	18.2
85.02917	13.9
85.06539	4.4
87.04433	2.1
91.05492	62.8
93.07053	63.8
93.07638	3.6
95.04984	14.6
95.08611	42.5
97.02908	16.6
97.06539	18.4
97.10178	9.4
98.21672	3.1
99.04446	6.9
99.08088	3.1
103.05520	2.4
105.04517	2.3
105.07046	56.9
107.04982	17.6
107.08607	39.6
109.02870	12.6
109.06525	7.4
109.10167	23.6
111.04462	8.0
111.08089	7.0
115.05463	3.8
117.07030	22.7
119.08585	39.0
121.06527	5.6
121.10165	24.0
123.08096	6.4
123.11708	7.8
125.09644	9.7
125.45274	2.2
127.03890	12.1
128.06236	4.4
129.05495	6.5
129.07014	15.1
130.07823	2.3
131.04930	2.9
131.08577	31.4
133.06485	4.4
133.09254	3.0
133.10149	32.8
135.04453	2.4
135.08043	6.6
135.11703	13.9
137.09590	3.6
141.06969	6.8
142.07806	4.3
143.08569	13.4
145.06493	5.5
145.10144	25.2
147.08063	5.9
147.11710	24.7
149.09642	19.2
149.13260	16.0
151.11186	4.1
153.06912	2.5
155.08611	9.3
156.09329	2.7
157.06541	2.0
157.10139	12.0
159.08026	3.8
159.11716	25.1
161.09631	4.9
161.13268	7.4
163.11205	5.6
163.14793	2.3
165.12828	5.2
167.08540	3.7
169.10149	10.5
171.08003	2.9
171.10428	2.0
171.11742	8.2
173.04524	11.0
173.09651	5.6
173.13258	7.9
175.11209	5.6
177.12764	7.2
181.10178	4.9
183.11711	6.1
185.13274	6.9
187.11263	3.5
189.11224	4.0
193.12224	2.3
195.11769	4.7
195.13837	8.7
197.13258	5.1
199.05931	2.9
199.11244	4.1
199.14835	3.8
201.12849	3.9
207.13834	2.3
209.13374	4.3
211.14891	4.7
213.12932	3.0
223.14937	2.5
227.12761	4.0
229.19519	3.4
239.18039	4.9
247.20755	3.5
257.19012	8.4
259.20715	2.6
267.15891	8.0
269.17450	15.0
273.18472	2.3
275.20090	48.1
293.21225	4.7
299.20157	2.4
301.21582	3.0
315.23376	2.6
321.16876	2.8
331.22760	2.5
339.18005	3.3
341.24780	2.2
347.22571	2.6
349.23795	21.2
383.22147	2.2
395.20822	2.9
413.21790	10.2
433.31107	5.2
451.31894	6.3
469.32910	6.3
515.37256	6.7
525.35925	18.6
543.36823	64.9
548.30963	2.0
561.37341	3.0
669.39294	3.0
687.41223	15.3
705.41949	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61483	2.3
51.15857	2.3
53.03942	10.1
55.01882	13.3
55.05518	42.3
57.03435	14.5
57.07074	5.0
59.05002	3.3
61.02915	7.3
65.03939	5.8
67.05508	78.8
68.34669	2.0
69.03429	23.8
69.07073	27.5
69.95026	9.2
71.01359	3.1
71.04991	11.9
73.02917	4.5
73.55431	2.3
75.12929	2.4
75.43227	2.2
79.05500	65.9
81.03424	80.1
81.07061	77.6
83.04990	26.4
83.08630	27.0
85.02916	18.9
85.06583	5.4
87.04510	2.3
91.03954	3.9
91.05484	64.5
93.07053	63.3
95.04993	24.5
95.08611	40.0
97.02897	28.3
97.06499	13.0
97.10196	18.7
99.04457	5.4
99.08098	5.2
103.05460	3.9
105.07037	70.3
107.04973	9.9
107.08606	38.5
109.02882	10.2
109.06517	7.0
109.10149	19.5
111.04456	12.7
111.08074	10.1
115.05460	4.9
117.07026	30.1
119.08595	48.2
121.06484	3.2
121.10161	24.6
123.08065	8.8
123.11694	7.4
125.09624	15.7
127.03921	9.5
128.06281	2.9
129.05508	2.8
129.07018	21.5
131.08580	45.1
133.06505	5.6
133.10152	31.9
135.08047	8.2
135.11713	14.9
137.06064	3.1
137.09599	5.6
141.06998	6.7
142.07797	6.5
143.08578	20.9
145.06551	4.5
145.10129	32.2
147.08044	6.4
147.11674	30.9
149.09637	8.7
149.13255	10.1
153.12788	5.5
155.08595	8.1
157.10150	24.9
159.08058	4.1
159.11682	26.2
161.09621	6.1
161.13281	14.9
163.11160	10.6
165.12750	2.5
167.08595	4.8
168.09338	3.5
169.10185	10.6
171.08063	3.6
171.11699	17.1
173.04546	4.3
173.09615	4.0
173.13252	11.9
174.60757	2.8
175.11192	9.1
175.14832	8.2
177.12726	3.9
179.08569	2.9
181.10156	4.7
181.12285	6.7
183.08072	2.6
183.11670	10.5
184.07391	5.7
185.09599	2.4
185.13246	12.5
187.11198	4.6
187.13287	2.7
187.14862	7.6
189.11209	5.6
191.10638	7.1
193.10455	3.8
193.12218	23.7
195.11717	7.2
195.13657	2.6
197.13347	7.5
199.11209	3.4
199.14871	4.8
201.12814	2.7
201.16408	2.7
209.09679	2.7
209.13327	3.7
211.13268	28.3
211.14937	3.1
213.12825	2.8
221.13359	2.4
223.14902	3.7
225.16295	2.5
227.12706	13.7
229.14253	2.7
231.20990	3.0
239.18089	3.0
241.19519	11.5
243.21028	3.0
257.19028	4.2
259.20599	27.5
261.22113	3.3
267.15939	6.2
269.17657	2.7
270.15115	2.9
271.20694	2.9
275.20065	19.8
283.15320	4.2
283.20663	3.4
285.17010	8.3
293.21310	3.9
295.20972	2.3
299.20456	2.8
299.23758	6.3
301.21716	5.5
315.23071	3.1
321.22217	3.4
327.23102	3.3
333.24310	20.2
335.25851	4.2
339.18021	2.6
339.23071	2.4
349.21167	2.5
349.24026	3.2
351.23282	4.1
355.17590	3.5
367.22742	6.0
369.24545	3.1
385.23831	3.1
403.24802	3.5
413.21533	4.3
421.25766	3.0
429.21307	8.0
433.30972	5.4
435.27606	2.7
451.31955	9.5
469.33197	5.2
525.35803	25.3
541.34662	3.1
543.36829	100.0
544.36670	4.6
633.37384	4.5
651.38531	10.4
669.39539	9.0
687.40771	16.3
705.41376	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	11.5
55.01887	19.4
55.05270	2.8
55.05517	30.1
57.03444	13.1
57.07066	3.3
61.02925	5.8
65.03931	5.2
67.05511	73.6
68.05775	2.4
69.03436	23.9
69.07072	29.4
70.90515	6.9
71.04982	6.8
73.19743	2.4
79.05502	54.9
81.03426	54.8
81.07064	100.0
83.04993	20.4
83.08626	19.0
85.02908	13.8
85.06540	3.7
91.05492	51.7
93.06483	3.8
93.07054	64.5
95.04978	18.5
95.08615	38.7
97.02900	15.9
97.06545	25.4
97.10148	7.7
98.94782	2.2
99.04459	6.8
99.08119	5.0
103.03957	3.1
103.05508	3.4
105.07041	48.9
107.04986	15.7
107.07970	3.5
107.08612	38.6
109.02892	9.7
109.06511	9.2
109.10165	19.0
111.04433	5.1
111.08064	6.1
115.05508	2.7
117.07035	23.4
119.08592	33.5
121.06491	8.0
121.10147	19.6
123.08076	4.6
123.11736	7.9
125.00389	2.3
125.09615	6.4
127.03917	9.7
128.06184	4.7
129.05521	4.5
129.07045	13.9
131.08582	29.1
133.06419	4.1
133.10138	31.0
135.08063	9.4
135.11690	13.0
137.09642	2.8
141.06973	4.5
143.08556	9.1
145.06483	5.9
145.10129	23.2
147.08037	6.8
147.11716	20.3
149.09656	14.9
149.13272	12.8
151.11125	4.5
155.08592	8.7
157.10110	15.1
159.08069	3.6
159.11714	22.9
161.09579	4.1
161.13248	6.6
163.11179	9.7
165.12767	4.9
167.08600	5.0
169.10124	10.5
171.11722	10.1
173.04475	10.1
173.11830	3.3
173.13290	6.3
175.11084	3.1
177.12756	5.9
181.10075	4.9
183.11720	7.1
185.13165	5.5
187.14784	3.5
189.99068	2.5
194.98473	2.5
195.11812	3.7
195.13834	8.7
197.13220	6.1
199.14833	3.8
201.12849	3.4
203.14276	2.9
217.15749	3.1
225.11093	3.0
227.12828	3.1
229.14410	3.1
239.17963	3.2
247.20740	2.6
257.19055	5.8
267.15887	6.1
269.17480	19.2
275.20093	44.7
293.20969	6.5
339.18002	4.0
349.23923	18.6
373.24039	2.8
382.81754	2.5
383.21799	3.6
386.79639	2.6
395.20383	3.2
413.21500	5.4
431.27914	3.5
433.30960	3.6
451.31827	4.7
463.30521	4.2
469.33035	5.7
515.37585	4.3
525.35999	15.9
543.36841	55.2
561.37170	5.0
566.62585	3.2
623.38898	3.0
651.38269	3.3
687.41034	17.8
705.42041	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15286	1.5
53.03937	7.5
55.01874	17.0
55.05515	14.9
57.03425	6.5
57.07061	3.8
60.08151	6.1
65.03933	3.2
67.05183	2.7
67.05508	38.4
69.03437	9.5
69.07063	19.5
71.04980	4.7
71.07374	3.8
73.02905	1.6
79.05498	27.1
81.03422	25.5
81.06593	3.3
81.07062	52.8
83.04989	12.7
83.08611	7.3
85.02923	2.8
86.09710	33.5
87.04464	2.0
87.09989	2.0
91.05484	37.5
93.07050	32.7
95.01332	2.3
95.04955	7.7
95.08609	21.7
95.49709	2.0
97.02873	7.6
97.06524	27.2
97.10167	2.4
98.98480	3.4
99.04453	2.7
104.10719	1.9
105.07034	43.1
107.04977	11.2
107.08602	16.5
109.02887	3.8
109.06496	3.7
109.10155	6.4
111.04451	2.8
117.06992	10.0
119.08583	22.4
119.80923	1.6
121.06482	2.1
121.10163	9.1
123.08069	2.7
123.11700	3.9
124.99992	23.2
125.09631	3.9
127.03926	5.7
128.06146	2.0
129.05484	2.8
129.07022	3.9
130.08607	2.6
131.08575	14.8
133.10144	22.1
135.08093	2.5
135.11717	7.9
137.09642	3.3
141.07039	1.7
143.08527	3.2
145.06482	2.1
145.10115	9.3
147.08067	1.8
147.11702	12.9
149.09589	6.2
149.13234	7.5
149.68385	2.2
151.11127	2.0
155.08554	2.5
157.10126	3.9
159.11726	10.9
161.13246	4.1
163.11101	4.5
165.09099	2.4
169.10075	3.1
171.11743	2.4
173.04532	1.9
173.13278	4.2
176.43196	1.6
177.12701	3.4
177.67209	1.6
179.14340	10.8
184.07346	100.0
185.07674	7.3
185.13202	2.9
187.11232	3.4
194.25337	1.8
195.13795	4.4
197.13324	2.2
203.14488	2.2
204.72035	1.7
215.17838	2.4
228.06708	1.7
257.18909	3.2
269.17435	4.7
275.20071	54.8
276.20496	2.3
277.21799	2.1
293.21078	5.0
339.18121	3.9
349.23737	16.7
395.20587	4.6
413.21823	18.5
447.21796	2.0
475.21219	5.5
525.35559	3.2
535.23383	3.5
538.35608	1.8
543.36853	32.9
607.42865	2.3
608.26324	33.1
609.25873	1.9
672.68854	2.0
687.41016	24.2
705.44727	13.1
706.44928	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	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17743	2.4
53.03950	13.8
55.01870	18.0
55.05514	38.0
57.03453	15.3
57.03668	2.7
57.07076	3.8
57.22781	2.6
61.02929	4.3
65.03941	5.3
67.05507	85.6
69.03123	3.0
69.03432	27.9
69.06734	3.0
69.07072	40.8
71.04999	14.5
73.02888	3.1
79.05496	64.4
81.03422	61.9
81.07056	100.0
83.04987	20.8
83.08617	14.9
84.08137	8.5
85.02909	14.8
85.06551	5.3
91.05486	57.2
93.06490	3.8
93.07048	71.7
95.04987	16.0
95.08611	40.3
97.02888	20.6
97.06530	20.8
97.10158	8.5
99.04464	6.4
99.08079	3.7
103.05437	4.9
105.06399	4.9
105.07039	55.7
107.04953	13.9
107.08604	40.7
108.32510	3.4
109.02881	11.9
109.06511	9.6
109.10152	17.6
111.04444	8.5
111.08057	10.1
115.05441	4.0
117.07001	24.4
119.08577	32.6
121.06511	10.0
121.10145	25.3
123.08054	5.8
123.11698	7.3
125.09618	5.2
127.03922	12.0
128.06160	4.2
129.05516	5.5
129.06981	15.2
130.08636	8.0
131.08580	37.3
133.06487	6.1
133.10136	27.0
135.08037	10.6
135.11707	13.3
137.09575	5.8
138.54842	2.5
141.06973	4.4
142.07765	3.3
143.08591	15.5
145.06503	8.6
145.10135	29.6
147.08047	7.9
147.11693	23.7
149.09622	16.0
149.13298	14.3
151.11124	4.7
155.08528	12.9
157.10132	17.7
159.08032	3.8
159.11703	23.1
161.09601	5.9
161.13277	6.3
163.11172	7.1
165.12769	6.5
167.08551	5.9
168.09377	3.6
169.10141	12.0
171.11694	10.1
173.04440	9.8
173.05931	3.7
173.13274	10.2
175.11180	3.1
175.14882	3.8
177.12715	6.0
179.14354	3.1
181.10168	5.9
183.11726	10.5
184.07312	5.8
185.13278	9.7
187.11331	4.8
187.14854	4.1
189.11130	4.4
193.68713	2.8
195.11769	6.0
195.13754	7.0
197.13258	7.1
199.11250	3.1
199.14806	4.0
199.18846	2.7
209.13345	3.2
211.14857	6.3
227.12769	3.2
235.16928	3.7
239.18001	3.2
247.20528	6.5
257.19022	5.8
259.20715	3.0
267.15982	5.7
269.17529	16.4
275.20056	39.7
277.21671	3.5
290.86667	3.2
293.21106	6.7
295.02356	2.7
339.23373	3.3
349.23715	16.0
413.21829	5.9
433.31232	5.4
451.32269	4.9
463.30725	5.6
471.93094	3.5
515.37158	4.6
525.35803	22.5
543.36786	54.6
551.42609	3.0
561.37677	6.1
608.26202	3.8
651.38507	4.7
687.29688	4.6
687.40759	14.6
705.41962	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	704.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01870	3.4
55.05519	11.3
57.03202	1.5
57.03444	16.7
57.07081	30.3
58.06604	19.6
59.06128	1.3
61.02925	3.3
65.03925	3.2
67.05508	47.2
69.07072	18.9
71.04984	3.7
71.08637	19.2
71.50248	1.8
71.50625	2.9
79.05496	20.6
81.06596	3.2
81.07061	58.7
83.04972	6.1
83.08620	17.1
85.02899	3.9
85.10203	12.7
89.06064	2.0
91.05484	10.8
93.07049	35.9
95.04971	3.3
95.08611	31.5
97.06545	7.8
97.10150	5.1
99.08079	2.7
105.07018	5.2
107.08605	20.2
109.10171	10.4
111.08086	3.1
111.11712	1.6
113.00008	4.2
113.09619	1.9
117.07017	4.6
119.08587	2.1
121.06480	1.7
121.10175	14.1
123.11677	4.0
131.08533	7.8
133.10115	5.9
135.11723	3.8
147.11726	1.8
149.13263	20.2
159.11665	7.9
165.31700	1.4
177.12749	5.8
184.07315	3.1
193.12415	1.4
195.13806	6.7
239.00652	1.7
239.23897	2.0
258.55515	1.6
269.17484	100.0
288.46872	2.0
313.27411	58.4
425.65372	1.5
507.40479	93.6
508.40619	2.6
575.50049	4.0
593.45514	2.1
627.30194	2.0
705.33215	3.6
705.44562	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	704.422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44577	0.8
53.03941	4.6
55.01871	1.7
55.05515	10.8
57.03442	4.6
59.05002	1.1
60.94970	0.8
61.02933	1.3
65.03955	1.0
67.05505	39.9
69.03419	3.3
69.07072	6.4
69.34334	2.8
69.34763	4.5
69.81535	0.8
71.04991	13.7
79.05492	33.2
81.03035	0.9
81.03441	8.4
81.07059	48.5
83.04986	8.1
83.08614	5.8
85.02880	1.7
85.06535	2.9
91.05482	25.6
93.07047	29.6
94.07378	1.0
95.04977	7.8
95.08607	14.2
96.55414	0.8
97.02965	4.2
97.03444	1.0
97.06544	4.4
97.10164	2.3
105.04551	0.9
105.07036	18.6
107.04960	3.5
107.08585	13.2
109.02861	1.2
109.06512	3.7
109.10149	4.1
111.08069	2.8
112.34972	0.8
115.05519	0.9
117.07024	5.9
117.80905	1.0
119.08588	9.9
121.06539	1.9
121.10162	5.7
123.08105	2.3
123.11703	5.6
127.03910	1.2
129.07021	6.3
131.08559	3.8
132.08893	1.0
133.10133	11.3
135.08046	1.9
135.11708	3.0
137.09566	1.1
141.06940	1.0
143.08546	4.7
145.10100	5.2
147.11696	14.2
149.13274	3.9
151.11191	3.3
155.08507	1.1
157.10121	1.0
159.11717	2.7
161.09625	1.6
161.13293	3.9
163.11160	1.0
165.12761	1.0
171.11705	10.9
173.04517	1.0
177.12782	1.5
183.13904	1.1
187.13373	1.4
189.12778	2.7
195.13786	1.9
197.80606	0.9
207.13853	7.8
213.12805	1.1
225.14923	1.6
251.16434	1.3
269.17566	4.6
275.20102	1.5
281.17459	11.7
292.20001	1.0
301.20081	9.2
301.50470	1.0
395.25168	0.9
403.28503	1.3
431.27930	0.9
437.05289	0.8
449.28967	27.9
450.29474	1.5
457.29343	0.9
463.30420	5.2
475.30576	100.0
476.30884	3.5
507.33087	17.5
542.35608	3.2
543.36121	2.3
619.34760	1.3
651.37634	1.6
668.38330	1.3
686.39093	1.0
704.40729	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	703.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.2
55.01870	7.3
55.05514	32.6
57.03449	20.9
57.07077	6.9
61.02923	11.5
65.03949	7.5
67.05508	100.0
69.03437	25.7
69.07082	21.9
69.85387	12.4
71.04999	10.1
71.08623	2.8
73.02914	6.5
75.78014	2.5
77.19403	2.6
79.05498	72.2
81.03426	42.3
81.07064	76.4
81.84852	2.5
83.04993	20.5
83.08627	18.2
85.02910	16.1
85.06558	4.9
91.03960	4.3
91.05487	65.2
93.07049	66.3
95.04987	23.2
95.08622	41.3
97.02905	25.9
97.06522	8.0
97.10173	17.4
98.20817	3.5
99.04461	6.2
99.08121	3.7
103.05472	3.8
103.99145	2.7
105.04520	3.3
105.07039	49.9
107.04951	9.9
107.08588	27.5
109.02897	8.8
109.06551	7.7
109.10176	17.4
110.04865	2.4
111.08109	5.4
115.05436	3.2
117.07017	21.0
119.08592	29.5
121.06540	6.0
121.10159	16.6
123.08076	7.9
123.11684	6.7
125.09655	10.1
127.03912	8.3
128.06218	6.2
129.05478	7.1
129.07014	21.6
131.08575	28.4
133.06516	5.2
133.10146	20.4
135.08125	6.7
135.11693	12.8
137.06026	3.1
139.11142	3.1
141.06998	10.0
142.07724	3.1
143.08572	21.6
145.06471	4.3
145.10123	26.1
147.08054	3.5
147.11661	18.0
149.09662	3.3
149.13290	4.0
152.84686	3.2
153.07080	3.1
154.07759	3.2
155.08583	14.3
157.06448	3.8
157.10092	15.3
159.08083	3.8
159.11711	13.6
161.09598	4.8
161.13284	8.1
163.11162	4.4
163.14923	4.3
167.08601	8.6
169.10164	12.1
171.11716	19.4
173.04459	8.6
173.13208	6.7
175.11179	3.7
177.12726	3.9
179.08638	2.7
181.10146	6.2
183.11682	7.6
184.07401	4.7
185.09650	4.1
185.13271	8.4
187.11205	4.0
187.14825	6.3
189.11217	4.1
189.12762	3.2
193.10223	4.0
195.08102	2.7
195.11665	6.6
197.13274	5.6
199.14871	7.2
201.12669	3.9
207.13805	7.7
209.13327	5.3
211.14877	7.6
213.16408	6.6
218.38203	2.6
219.17471	3.2
221.13318	5.3
223.14767	4.7
225.16522	3.6
227.12692	7.3
227.20078	5.6
228.13097	3.2
228.20378	4.3
233.13084	3.0
235.14728	3.4
245.13809	8.8
246.14087	5.1
261.22232	8.2
273.18561	7.1
275.20096	4.9
279.15915	3.0
281.17490	15.1
291.19507	3.8
312.19376	3.2
327.47653	2.7
335.25894	10.6
336.26221	7.5
337.77136	2.8
347.22037	2.8
369.24377	3.5
431.32831	3.5
443.27591	3.7
449.33908	5.3
505.35580	3.1
506.35495	6.4
523.37732	4.0
527.88513	2.7
541.39099	76.8
621.40704	4.0
649.40686	7.6
667.41260	5.5
685.42255	8.8
703.31433	4.1
703.44305	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.7
55.01871	4.8
55.05519	34.5
57.03444	14.2
57.07059	2.4
59.68027	2.3
62.32378	2.7
65.03941	6.8
67.05511	100.0
69.03432	21.4
69.07071	21.7
69.72678	2.2
70.08655	7.7
71.05000	7.3
79.05498	97.5
81.03424	45.7
81.07060	67.5
83.04998	15.5
83.08630	10.2
85.02906	17.8
85.06555	3.2
91.05487	77.3
93.07048	95.7
93.07642	4.6
95.04976	18.5
95.08611	54.6
97.02892	10.3
97.06539	6.7
97.10154	3.3
99.04450	6.8
99.08114	2.8
103.05466	3.4
105.04540	6.4
105.07037	50.3
105.07690	4.0
107.04941	12.0
107.08601	35.3
107.09290	3.5
109.02885	6.5
109.06522	6.8
109.10188	20.5
113.00024	4.3
115.05453	5.5
117.07024	25.6
119.04910	2.8
119.08599	31.5
121.06502	10.4
121.10160	20.5
123.08060	6.9
123.11719	4.5
127.03939	8.0
128.06215	5.9
129.05501	3.2
129.07007	20.8
131.04868	3.7
131.08562	24.6
133.06471	4.8
133.10129	16.9
135.11696	14.1
141.07007	5.8
142.07829	4.2
143.08583	13.3
145.06526	7.9
145.10109	17.0
147.08035	4.8
147.11690	23.1
149.13255	5.5
155.08543	4.9
157.06523	3.9
157.10144	6.7
159.08112	5.7
159.11729	8.1
161.09578	3.7
161.13257	12.1
167.08630	3.5
169.10176	6.2
171.08145	3.9
171.11691	22.7
173.04466	6.8
173.09717	2.7
173.13290	6.3
181.10135	4.9
185.13214	4.5
189.12769	8.2
195.11749	2.9
207.13770	13.8
223.14851	3.2
257.15384	3.0
259.17065	4.2
261.22226	5.9
269.15433	3.7
281.17349	14.1
287.16431	11.4
335.25842	62.8
335.60886	2.5
361.19998	2.9
407.20816	3.4
425.21710	5.8
541.38977	42.6
545.30396	2.4
591.43640	4.8
595.52289	2.6
703.44238	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	703.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.6
53.03939	3.2
55.01870	2.5
55.05268	2.0
55.05517	21.8
57.03442	2.5
57.07057	3.3
60.08154	4.3
65.03932	2.2
67.05511	30.0
69.06797	1.5
69.07076	18.5
71.04987	1.5
71.07374	3.7
71.16306	3.0
79.05501	20.4
81.03415	3.1
81.07066	32.6
83.08627	7.8
86.09711	20.6
87.10020	3.6
89.06017	2.0
91.05486	19.9
93.06560	1.9
93.07059	18.6
95.04967	3.7
95.08619	27.1
97.06527	3.1
97.10181	6.1
98.98497	2.3
99.08105	2.3
104.77291	1.6
105.07037	14.3
107.08594	11.8
109.10151	8.8
113.00024	54.5
117.07019	11.0
119.08578	15.9
121.10147	6.6
123.08045	2.1
123.11687	2.7
125.00011	13.9
125.09669	2.0
128.06210	5.3
129.07005	14.3
130.07782	2.5
131.08580	17.9
133.08618	1.7
133.10123	11.1
133.10971	1.4
135.11705	6.1
135.18507	1.5
141.07004	6.7
142.07791	4.8
143.08583	18.3
145.10107	15.7
147.11694	6.3
153.07018	2.9
154.07780	2.4
155.08563	19.4
156.09351	3.7
157.10152	14.3
159.11664	10.7
161.13326	1.9
165.07013	3.7
166.07732	3.0
167.08600	15.7
168.09370	4.5
169.02695	3.7
169.10138	23.7
171.11684	14.6
173.13252	4.2
179.08560	6.7
179.10028	1.5
180.09329	2.2
181.10126	16.6
182.10939	5.2
183.11691	19.1
184.07356	65.4
185.07686	12.9
185.13269	8.5
187.03661	2.4
187.14856	2.1
192.09193	1.8
192.55688	1.7
193.10226	7.7
194.10878	2.7
195.11705	16.2
197.13283	17.7
199.14848	5.4
201.16272	2.2
205.10210	2.8
207.11659	9.1
208.12564	2.2
209.13284	13.7
210.13997	1.9
211.14813	12.0
213.16438	4.0
219.11649	4.4
220.12399	2.0
221.13281	7.2
223.14749	9.5
225.16409	7.3
227.18007	1.9
235.14830	7.7
237.16386	9.5
239.17975	4.4
241.19531	2.1
247.14838	2.3
249.16356	2.8
251.18015	5.1
253.19580	3.8
261.16397	3.0
263.17819	3.8
265.19501	4.7
269.84586	1.7
275.17917	2.3
295.23883	1.9
307.24036	1.8
363.27100	1.6
368.83588	1.9
381.28238	2.2
407.29678	2.5
421.30997	2.2
422.31564	1.7
435.32611	2.9
447.32913	2.2
449.34344	3.6
489.40988	1.7
499.39041	3.8
517.40656	14.3
535.41541	9.3
555.42334	2.3
573.42871	5.5
591.43994	100.0
592.44391	6.8
609.45331	4.2
703.31036	4.0
703.43384	61.8
704.43695	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	703.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	13.4
55.01877	12.6
55.05518	52.1
57.03421	8.5
57.07058	8.1
59.04990	2.4
65.03924	6.4
67.05511	90.2
69.03436	39.0
69.06728	3.0
69.07073	41.5
71.00475	4.5
71.01345	2.3
71.04986	8.8
71.08621	7.6
73.02923	3.4
77.03906	1.8
79.05502	71.1
80.18093	2.0
81.02933	2.2
81.03424	77.2
81.07063	85.5
83.04994	19.0
83.08626	24.4
85.02906	15.1
85.06536	4.0
85.10174	3.1
89.06062	13.3
91.04918	2.7
91.05490	58.4
93.07053	61.0
95.04971	27.0
95.08617	36.9
97.02408	2.1
97.02904	26.3
97.06525	12.9
97.10178	25.1
99.04461	6.2
99.08048	2.8
105.04507	2.6
105.07042	44.5
107.04967	17.0
107.08606	35.1
109.02880	17.2
109.06503	8.8
109.10183	16.4
111.04447	12.5
111.08053	4.4
113.06021	2.3
115.05446	5.2
117.07031	24.2
119.04932	3.4
119.08605	29.4
121.06541	11.3
121.10139	17.3
123.04449	5.1
123.08106	5.8
123.11692	4.4
125.05982	2.3
125.09650	19.7
127.03929	14.1
128.06215	5.4
129.07016	14.1
130.07814	2.7
131.04944	3.6
131.08592	30.8
133.06476	5.4
133.08611	6.4
133.10139	20.9
133.38849	1.9
135.08093	10.1
135.11707	8.5
137.05984	3.0
137.09570	3.8
139.03854	3.1
141.06956	4.2
143.08574	13.7
145.06453	5.1
145.10106	15.2
147.08072	12.1
147.11696	14.7
149.09605	9.3
149.13252	12.9
153.06940	2.5
153.09082	2.8
155.08559	7.9
157.06554	3.8
157.10141	11.9
159.08032	6.0
159.11720	17.3
161.09604	4.9
161.13248	4.3
163.07635	2.3
163.11183	6.7
165.12791	4.5
167.08568	3.3
168.09349	2.2
169.10117	4.0
171.11705	7.8
173.04420	5.9
173.09691	3.0
173.11844	3.1
173.13278	5.8
175.11209	11.2
177.11319	4.8
177.12752	8.1
179.10661	3.0
181.10097	4.6
183.08157	3.5
183.11665	4.0
184.07343	3.3
185.09674	4.1
185.13307	4.2
187.11235	2.7
187.14876	3.8
189.11209	10.9
189.12732	4.0
193.10197	2.6
193.12238	7.4
195.11766	4.0
195.13794	10.0
197.13316	4.1
201.12717	3.8
211.13239	6.4
213.12817	3.1
223.13264	18.2
227.12747	10.0
227.17973	2.8
229.12152	2.8
229.14262	2.4
233.15231	2.4
247.13367	2.2
249.14882	2.7
255.17302	3.3
267.15976	4.6
269.17493	5.3
273.18512	19.6
275.17111	2.4
275.20084	11.1
291.19559	100.0
292.19815	2.5
297.16901	2.1
303.15948	3.6
313.21451	2.6
321.16830	5.1
331.57755	2.4
339.17902	7.4
347.22037	3.3
365.23529	5.7
367.17938	2.9
367.22385	2.5
389.64014	2.1
395.20734	9.7
435.24002	2.7
541.35315	15.7
559.36115	9.2
591.49005	2.3
629.36743	2.6
649.36969	2.9
667.38098	4.1
685.39301	9.5
703.40198	83.1
704.40552	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83589	0.1
55.05511	0.5
56.05030	0.9
57.03427	0.2
57.07066	0.3
57.55622	0.1
58.06586	1.4
60.08166	6.0
67.05514	0.7
67.49952	0.1
69.07059	0.4
70.06592	0.2
71.05003	0.1
71.07374	3.8
71.08634	0.2
71.51752	0.2
76.29929	0.1
79.05499	0.6
81.07056	0.8
83.08617	0.3
86.09708	31.8
87.10046	0.3
89.06037	0.4
91.05485	0.5
93.07051	0.7
95.08614	0.6
98.98466	3.7
104.10741	3.0
105.07022	0.2
107.08636	0.2
109.10149	0.3
113.00029	0.6
119.08553	0.2
120.59076	0.1
121.10138	0.3
125.00008	21.6
125.74168	0.1
129.07024	0.2
133.10078	0.1
143.08635	0.2
159.11749	0.2
163.25615	0.1
169.10123	0.2
183.11684	0.2
184.07343	100.0
185.07666	0.6
185.13182	0.2
197.13333	0.2
209.13168	0.2
269.17590	0.3
311.25751	0.4
341.46152	0.2
389.49445	0.1
424.21683	0.2
446.23093	0.2
496.33939	0.2
505.38504	0.5
519.40662	0.2
590.42603	0.5
591.43951	0.7
670.28973	0.6
700.64545	0.2
702.31653	3.4
702.46307	6.8
703.43695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.7
51.02381	1.8
53.03936	14.7
55.01868	7.7
55.05516	34.7
57.03438	18.0
57.07069	3.4
58.96876	1.6
61.02934	19.9
65.03944	6.8
67.05510	67.1
69.03433	36.6
69.07074	20.8
71.05010	11.2
73.02923	13.2
79.05498	68.6
79.05976	3.7
81.03424	51.5
81.07061	67.3
83.04991	20.4
83.08633	10.1
85.02919	22.8
85.06559	2.9
87.04486	2.3
87.64503	2.1
91.03969	7.6
91.05487	67.3
93.07048	65.8
95.04959	14.8
95.08613	45.8
97.02897	29.7
97.06554	6.0
97.10177	6.1
98.08707	1.9
99.04482	8.7
99.08121	2.1
101.02408	4.3
103.05480	3.2
105.04508	3.8
105.07033	55.2
107.04983	12.8
107.08595	28.8
109.02902	6.8
109.06541	7.1
109.10158	11.0
111.04419	4.1
111.08089	4.8
114.86085	1.7
115.03918	2.2
115.05482	8.6
117.07019	28.8
119.04932	2.7
119.08589	35.1
121.06514	6.8
121.10162	16.4
123.08073	8.4
123.11698	2.3
125.09643	2.9
127.03949	10.6
128.05386	1.9
128.06209	12.1
129.05519	7.7
129.07016	29.6
130.07788	2.9
131.08582	38.0
133.06516	7.2
133.10133	22.8
135.08080	5.0
135.11705	11.5
137.09622	3.9
141.07002	12.5
142.07825	5.7
143.08577	36.0
145.06512	7.6
145.10124	28.2
147.08038	5.2
147.11693	18.6
149.09666	2.8
149.13266	6.1
153.07050	5.1
154.07770	4.7
155.08575	23.2
156.09357	3.5
157.06546	3.5
157.10132	27.6
159.08047	2.6
159.11713	19.4
161.09700	3.6
161.13261	9.4
163.11263	4.5
165.07076	4.7
167.08583	16.7
168.09299	3.4
169.10123	26.7
170.10951	2.6
171.08029	4.8
171.11699	31.6
173.04442	17.7
173.09657	2.6
173.13293	11.4
175.11241	5.4
175.14835	3.1
177.12798	2.3
179.08621	6.7
180.09416	3.9
181.10110	16.6
182.10881	2.9
183.08078	2.1
183.11722	25.2
185.09601	3.4
185.13277	12.4
187.11296	3.8
187.14941	4.2
189.12811	6.5
191.14191	2.5
192.39827	1.8
193.10194	8.8
194.10880	2.8
195.11679	18.3
197.09593	4.0
197.13307	17.8
199.06136	3.1
199.11241	2.9
199.14905	4.2
201.12737	2.5
203.14308	2.2
205.10149	3.5
207.11766	13.0
207.13884	8.7
209.09644	2.8
209.13272	15.7
211.11223	2.2
211.14925	8.2
219.11699	5.3
221.13306	7.0
223.15047	10.1
225.12791	3.4
225.16440	4.6
227.14342	1.9
231.13759	2.1
233.13371	3.5
233.15515	2.0
235.14957	4.6
237.16589	4.2
239.17976	3.1
241.16098	2.0
241.19542	2.4
247.14960	2.3
251.14243	2.1
251.18042	2.6
253.19797	2.8
257.19162	2.2
259.20413	4.5
263.18170	2.0
271.20682	2.1
279.16016	2.3
281.17416	14.6
299.20065	3.5
313.21683	5.3
319.20676	3.0
321.22232	3.9
323.23798	3.4
325.21786	3.1
331.20389	2.0
333.24457	3.2
335.23761	2.2
337.21729	3.2
337.25455	2.2
339.23459	3.9
349.21735	3.7
351.23270	2.5
367.22797	5.5
403.25336	2.1
419.32977	2.4
429.31900	5.0
437.34253	2.5
447.32654	19.0
465.33734	7.7
484.34125	2.3
485.34113	2.9
521.36218	13.0
537.35333	4.4
539.37360	100.0
540.37573	4.6
551.37512	3.8
555.36896	2.3
557.38977	9.4
569.38831	2.7
581.38464	4.7
619.40289	3.4
623.39575	3.5
635.39386	3.6
647.39789	10.9
665.40143	10.7
683.41449	10.6
701.42578	80.7
702.42767	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	699.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01869	5.4
55.05510	20.1
57.03432	12.7
57.07074	30.5
67.05507	52.3
69.07085	16.3
71.05000	3.1
71.08627	18.2
73.02248	3.0
73.67365	3.1
75.22806	2.9
79.05075	4.3
79.05504	58.8
81.03411	6.2
81.07060	50.9
83.04990	8.0
83.08627	10.1
84.71228	3.0
85.10183	13.0
85.33741	2.4
88.45740	3.2
91.05477	42.1
92.05797	3.0
93.07048	52.5
95.04989	12.0
95.08607	35.2
97.06521	8.3
97.10162	7.6
105.07030	30.7
105.71503	3.0
107.04966	4.4
107.08608	18.7
109.06477	5.1
109.10161	13.2
112.31038	2.8
116.90614	3.0
117.07018	4.7
117.91444	3.2
119.08572	18.3
121.10130	7.1
123.08036	6.0
129.07014	9.9
131.08563	6.7
133.10149	8.0
135.11691	4.4
143.08612	5.4
145.10100	11.3
147.11694	29.1
159.11720	4.0
161.13260	8.0
171.11703	18.6
189.12761	8.1
207.13760	29.8
230.09691	3.1
281.17465	67.2
313.27396	49.5
367.54395	3.0
519.40533	100.0
520.41241	5.7
594.75134	3.1
597.73181	3.5
714.83435	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	699.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.05515	34.3
57.03445	18.0
57.07078	27.1
62.39956	3.0
65.93535	3.2
67.05508	82.6
68.05846	4.3
69.07072	24.1
71.04990	3.9
71.08630	26.9
71.51460	6.6
79.05067	5.2
79.05496	74.8
80.05820	5.6
81.03426	4.0
81.06591	5.2
81.07054	71.7
83.04994	19.8
83.08624	21.4
85.10159	11.0
87.34795	3.2
91.05483	53.7
92.05791	3.4
93.07050	61.8
94.07346	6.0
95.04980	15.6
95.08614	53.7
97.06562	7.3
97.10152	12.0
97.80865	3.0
99.08072	9.4
105.07035	44.8
107.04943	7.3
107.08613	22.1
109.06519	5.7
109.10160	15.2
111.08084	4.9
117.06967	9.7
119.08593	25.0
121.06498	4.1
121.10133	8.0
123.08095	5.6
123.11722	4.4
125.09622	4.3
129.06990	12.2
131.08598	8.6
132.08940	4.4
133.10121	13.0
135.11736	6.8
143.08566	9.7
145.10101	10.3
147.11713	29.4
159.11687	4.5
161.13248	8.7
167.56702	3.1
171.11685	19.8
189.11258	3.7
189.12802	7.5
207.13821	19.6
227.12871	6.3
254.82748	3.0
264.27112	4.5
273.17584	3.4
281.17487	97.2
313.27393	45.0
519.40454	100.0
519.48254	5.4
520.40906	4.0
527.29382	4.7
573.94299	4.7
587.45886	4.7
611.34338	4.4
613.34851	15.4
699.41907	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	699.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01867	7.6
55.05518	24.2
57.03435	10.3
57.07079	33.7
65.03943	5.6
67.05509	53.4
69.03418	2.2
69.07077	25.1
69.14703	26.6
71.04984	2.6
71.08645	26.9
79.05498	53.8
81.03427	7.6
81.07060	50.1
83.04981	10.9
83.08624	14.8
85.06544	3.6
85.10192	13.5
91.05484	53.7
93.07047	54.3
95.04971	9.7
95.08607	40.2
97.06546	8.9
97.10165	9.9
99.08111	2.7
105.07034	37.1
107.04957	8.4
107.08601	17.5
109.06533	6.9
109.10139	11.3
111.11705	2.8
113.00030	3.7
117.07029	6.5
119.08575	21.5
121.10176	6.3
123.08077	5.4
123.11730	4.7
128.06212	3.2
129.07008	9.9
131.08560	7.0
133.10175	10.8
135.08040	2.9
138.88638	2.4
143.08588	4.4
145.10127	6.9
147.11685	24.7
149.09653	4.3
151.61311	2.1
153.09117	2.5
161.09560	3.7
161.13272	6.2
163.11270	2.8
169.02727	3.1
171.11705	17.9
179.14378	3.6
185.64424	2.3
189.12787	9.3
207.13805	20.0
273.03964	2.5
275.20074	18.7
281.17508	47.8
282.88318	2.4
293.21423	2.7
301.25107	2.7
313.27380	50.6
359.99725	2.9
468.91473	2.6
519.40460	100.0
587.46838	38.7
621.13525	2.3
699.51031	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.9
53.03949	18.7
54.17851	2.1
55.01881	15.8
55.05516	33.0
57.03434	9.9
57.07067	2.5
59.04997	2.0
61.02911	2.3
64.13275	2.1
65.03928	7.1
67.05506	90.4
69.03432	25.6
69.07069	31.8
69.19100	18.3
71.04985	9.4
73.02921	2.4
74.76694	1.9
77.03889	3.4
79.05496	100.0
81.03419	60.9
81.06592	4.3
81.07061	81.7
83.04979	17.5
83.08618	12.7
85.02911	11.2
91.05486	98.6
93.03435	3.3
93.07047	76.0
95.04447	3.1
95.04980	29.7
95.08609	46.6
97.02905	19.7
97.06523	15.9
97.10176	8.0
98.20782	3.9
99.04458	6.2
99.08103	2.2
101.02371	2.4
102.77737	2.2
103.03926	2.9
103.05471	7.1
105.04522	7.0
105.07040	75.6
107.04958	18.2
107.08599	36.3
109.02898	15.1
109.06506	10.5
109.10169	18.6
111.04443	7.2
111.08083	4.0
115.05463	8.0
117.07024	34.8
119.08578	48.9
121.06504	9.1
121.10144	18.8
123.04414	5.4
123.08050	12.0
123.11729	3.3
125.02341	4.1
125.09623	7.4
127.03922	10.8
128.06229	13.5
129.05501	4.6
129.06992	34.1
130.07755	4.1
131.08568	37.9
133.06482	9.1
133.07442	2.5
133.10139	31.7
135.04451	2.4
135.08061	8.8
135.11696	9.5
137.05948	2.5
137.09628	5.2
141.06996	12.0
142.07790	3.1
143.08545	29.2
144.05659	2.3
145.06474	9.9
145.10124	31.3
147.08035	8.9
147.11705	26.8
149.05962	2.9
149.09616	9.7
149.13307	3.8
151.03955	2.1
151.11166	4.8
153.06978	3.4
154.07796	2.9
155.08569	16.1
157.06528	7.5
157.10133	18.2
158.07327	2.9
159.08057	5.9
159.11693	18.1
161.09650	13.6
161.13217	9.8
163.11154	5.9
165.06984	5.7
165.09195	2.2
167.08559	12.0
168.09334	4.7
169.10124	12.8
171.08076	4.4
171.11665	28.7
173.04446	9.0
173.05852	2.4
173.09595	5.0
173.13274	8.9
175.07573	2.0
175.11203	4.8
177.12764	5.0
179.08551	5.8
179.14273	4.5
181.10091	11.7
183.08072	3.3
183.11671	10.6
185.09622	4.2
185.13228	7.2
187.07487	2.9
187.11194	5.3
189.09134	3.0
189.11160	5.2
189.12791	8.0
191.08601	2.2
193.10147	6.3
195.07922	3.0
195.11711	10.6
197.09593	4.2
197.13213	4.2
199.11224	5.2
201.12802	3.5
205.10193	2.8
207.11699	6.2
207.13803	19.1
209.13268	6.8
211.11133	3.8
213.12755	4.6
215.10843	3.8
215.14346	3.1
219.17461	3.0
221.13242	3.8
223.11061	3.2
223.14842	2.4
225.12770	4.0
225.16476	2.9
227.12688	4.8
229.12321	2.2
229.19456	3.3
231.13765	5.0
235.14882	3.5
237.16336	2.0
239.17889	4.5
240.73383	2.3
245.19086	2.5
257.18979	9.3
265.69376	2.0
269.15363	4.6
273.18503	3.6
275.20105	27.9
279.15881	3.4
281.17496	20.9
287.16455	4.5
293.21060	2.0
295.20798	3.3
299.20108	2.2
337.21597	3.7
347.19803	3.4
349.23819	5.8
365.21069	6.1
377.24060	2.4
383.22244	6.4
401.23294	7.5
407.20654	2.5
419.24194	2.7
445.31079	2.9
455.27805	2.7
457.29364	7.1
475.27179	2.7
537.35962	17.2
543.79620	2.1
555.36493	8.5
565.31244	2.9
583.32275	2.8
635.39630	3.7
645.37524	4.6
653.39868	3.1
663.38348	7.9
681.39697	14.2
699.29388	3.8
699.40942	59.9
700.41534	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
53.15480	2.3
55.01868	11.4
55.05518	44.2
56.04753	2.6
57.03451	13.4
57.07064	10.6
65.03938	6.2
67.05513	99.4
68.05849	2.8
69.03419	3.8
69.07076	32.3
71.05001	6.6
71.08637	29.7
71.51737	3.5
72.27869	2.3
79.05075	3.6
79.05501	61.9
81.03416	9.3
81.06591	6.0
81.07063	100.0
83.04972	14.5
83.08620	21.3
85.06560	6.6
91.05489	64.8
93.07050	85.3
95.04980	22.4
95.08613	62.3
97.06519	15.1
97.10182	15.0
99.08091	25.6
105.04594	3.2
105.07039	44.6
107.04949	7.3
107.08602	45.2
109.06525	9.6
109.10150	22.2
111.08089	8.9
115.05468	4.8
117.07021	17.0
119.08586	28.5
121.06503	6.6
121.10164	26.1
123.08116	6.7
123.11668	4.3
125.09607	7.2
128.06186	2.7
129.07016	6.9
131.08604	19.8
133.10149	23.0
135.08058	5.7
135.11726	18.4
137.13289	3.5
139.11191	7.7
143.08574	7.1
145.10158	14.3
147.08064	3.1
147.11710	14.2
149.13280	23.0
151.11206	26.1
157.10107	8.5
159.11748	14.6
161.13290	14.4
163.11192	12.1
165.12782	4.4
171.11742	6.1
173.13263	2.8
175.11198	3.4
175.14824	3.4
177.12823	7.7
179.14326	8.6
185.13274	4.1
187.14774	2.7
189.11230	6.1
191.14378	2.9
195.11639	2.8
195.13800	14.5
199.14825	3.2
201.16199	3.0
217.15802	2.7
227.12836	15.4
241.19478	5.3
259.20508	8.8
269.17471	35.5
277.21640	36.9
290.30612	3.0
303.23416	2.8
333.24414	3.2
351.25293	37.9
367.24582	3.4
447.30984	3.5
453.33749	3.9
463.30478	35.4
521.34955	4.9
527.37048	7.2
545.38422	39.4
563.39636	5.6
698.43365	7.4
699.43176	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	699.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03932	1.4
55.01859	1.4
57.23128	0.5
57.44176	0.5
65.03938	2.4
65.04336	0.4
67.01847	0.7
67.05471	1.1
68.99438	0.7
68.99789	5.6
70.06577	0.5
70.18094	1.5
72.15188	0.4
73.46721	0.5
76.43140	0.5
77.03919	0.7
77.44614	0.6
79.05479	1.6
79.40558	0.6
80.41576	0.5
81.03429	3.7
85.02863	0.6
89.03876	1.1
91.05464	0.7
93.03415	0.8
95.04969	1.4
97.02882	0.7
99.04458	1.2
100.11259	0.5
100.58073	0.6
103.05438	0.9
104.93123	0.5
105.03389	1.4
107.04955	3.5
109.02909	2.7
111.00814	3.5
111.04449	3.6
115.05437	0.8
117.03394	1.6
119.04952	0.8
121.02875	26.8
122.03243	0.6
123.04433	76.3
124.04786	0.8
127.03922	100.0
128.04266	0.7
129.07010	0.9
131.04936	2.1
133.06442	0.7
135.04425	34.0
137.02359	3.1
137.06006	0.9
139.03906	41.7
141.06995	1.3
143.04951	0.6
145.06538	1.0
145.53545	0.5
147.04396	6.4
149.02344	4.9
149.05937	2.5
151.03922	12.2
153.01787	0.7
153.07040	0.9
155.04886	0.7
157.06516	0.6
159.04402	3.0
161.05986	2.9
163.03914	36.8
165.05476	1.6
167.03412	8.0
169.06577	1.8
171.55067	0.5
173.06007	3.5
175.03893	5.3
175.07692	0.6
177.05478	3.8
179.03374	4.4
181.05046	0.8
181.06490	0.6
183.04514	1.1
185.05972	1.6
187.03860	5.5
187.07526	0.8
189.05470	3.0
191.03403	11.4
193.05038	3.1
197.05994	3.6
201.05478	8.4
203.03375	11.9
203.07103	1.9
205.04999	2.6
206.08305	0.5
213.05573	2.3
215.03487	1.8
215.07135	1.7
217.05040	1.3
219.06625	0.7
225.05519	1.6
227.03412	1.0
229.04971	6.2
231.06682	1.7
233.04475	6.0
241.05016	1.5
243.06519	4.8
245.04480	8.4
247.06023	20.5
251.05450	0.7
253.04926	1.3
255.06635	2.3
257.04480	8.3
259.06042	7.4
261.07623	0.9
262.18893	0.5
265.05170	0.8
269.04480	6.6
271.06024	20.5
273.04883	0.7
273.07507	4.2
275.05499	14.6
279.06650	0.8
283.06064	7.8
285.07761	1.7
287.05511	26.4
289.07089	9.4
295.06256	0.7
297.07507	0.7
299.05475	3.2
301.07086	12.3
303.08597	0.6
307.06363	0.9
311.05679	0.9
315.08856	0.8
325.07126	0.8
325.11609	0.5
391.08221	3.0
393.09933	2.2
409.09232	22.7
411.10971	1.2
421.09750	1.6
427.10593	2.4
435.10999	1.2
454.81805	0.5
501.26437	0.5
501.34845	0.5
529.11420	0.7
531.13416	0.8
535.61725	0.5
541.24292	1.7
542.24524	1.4
547.12573	1.0
561.14142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.6
53.03955	6.5
55.01877	6.1
55.05272	1.9
55.05519	33.2
57.03441	13.4
57.07083	10.7
61.55391	1.4
65.03934	6.0
67.05511	100.0
69.03427	3.1
69.07074	28.1
71.04988	5.1
71.08646	12.7
71.51288	1.2
71.51665	1.4
73.06579	1.3
74.58646	1.3
77.03895	1.3
79.05499	76.6
81.03426	9.4
81.07065	95.5
82.07401	3.4
83.04984	15.1
83.08630	20.0
85.06547	5.8
85.10157	1.2
91.05489	61.5
92.05812	1.2
93.07054	73.7
95.04977	15.7
95.08614	58.7
96.08957	2.3
97.06536	11.3
97.10184	11.0
99.08121	11.8
100.11263	3.8
103.05482	1.8
105.04499	3.5
105.07043	40.9
107.04971	4.9
107.08604	40.4
109.06544	6.2
109.10162	23.5
111.08076	4.6
111.11724	1.8
113.00079	2.0
115.05463	2.3
117.07026	21.7
119.07816	2.6
119.08600	29.7
121.06503	2.5
121.10157	24.6
123.08095	2.2
123.11710	9.5
125.09658	4.0
129.05490	1.4
129.07002	10.3
130.07813	2.2
131.08594	26.2
133.10155	19.6
135.08031	4.2
135.11688	15.8
137.09651	3.8
137.13248	2.3
139.11201	3.6
141.06931	1.9
143.08574	8.2
145.10120	18.3
147.11700	16.4
149.09637	4.1
149.13287	13.6
150.47910	1.2
151.11180	4.9
155.08580	1.7
157.10138	6.3
159.11708	12.6
161.09714	1.4
161.13277	12.4
163.11243	4.9
163.14825	6.1
165.12773	2.5
167.08516	1.6
169.10228	2.0
171.11719	7.9
173.11847	2.3
173.13272	8.1
175.14871	5.3
177.12776	5.4
177.16370	2.5
179.14267	3.0
181.10120	1.6
185.13295	3.7
187.14821	4.2
189.12677	2.0
193.12314	1.7
195.13773	3.7
197.13295	2.2
199.14915	2.4
201.16367	1.9
203.17784	1.6
207.13829	1.9
209.13316	1.8
215.17979	3.1
227.12709	1.6
231.17503	1.6
241.19569	2.1
243.21094	5.6
259.20428	2.8
261.18735	1.7
261.22162	9.7
267.15967	2.4
269.17480	5.8
275.20206	4.5
277.21683	6.1
315.23032	1.7
317.24930	2.9
331.26544	2.2
333.24219	1.9
335.25931	11.4
351.25323	2.6
437.34302	2.2
475.30460	4.0
515.36609	1.5
518.38971	1.7
529.38898	14.1
586.45508	7.7
587.46576	5.2
595.47009	1.6
613.48492	9.2
698.48694	1.8
699.50836	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	698.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.4
53.03712	1.8
53.03949	9.7
55.01863	7.1
55.05272	2.8
55.05516	35.9
57.03445	12.5
57.07069	8.1
65.03931	6.4
67.05509	100.0
69.03417	2.6
69.07072	35.6
71.04991	7.5
71.08627	14.2
76.61893	1.9
79.05499	73.3
81.03413	7.4
81.07063	91.5
83.05000	15.0
83.08630	21.1
85.06531	7.1
85.10178	3.2
85.92957	2.5
91.05486	61.9
93.07050	86.6
95.04981	18.8
95.08615	54.9
95.09239	2.3
97.02910	2.0
97.06525	12.2
97.10168	8.1
99.08099	13.5
100.11334	2.1
105.04523	3.5
105.06393	3.6
105.07041	43.9
106.07308	2.4
107.08604	44.7
108.85936	2.1
109.06553	9.2
109.10159	19.9
111.08086	6.3
115.05455	3.6
117.07031	18.4
119.08582	28.3
121.06514	3.9
121.10158	26.0
121.98787	2.1
123.08051	6.4
123.11703	8.5
125.09636	6.5
129.06998	10.1
131.08582	28.4
133.10149	23.9
135.08052	5.5
135.11708	17.7
137.09642	2.5
137.13245	3.0
139.11169	7.5
141.07031	2.6
141.42389	2.2
143.08548	8.7
145.10138	17.7
147.08058	3.0
147.11688	11.6
149.09636	3.8
149.13251	17.9
151.11176	14.8
155.08632	2.3
157.10165	7.5
159.11688	9.9
161.13246	11.6
163.11191	6.3
163.14839	5.4
165.12741	4.4
171.11681	8.1
173.11708	2.6
173.13274	4.8
175.14793	4.7
177.12762	5.2
177.16454	2.6
179.14259	4.8
181.24921	2.1
184.37485	1.9
185.13315	5.7
187.14886	2.3
189.12721	2.4
195.13867	5.4
197.13219	3.3
199.14879	5.5
201.16403	2.5
207.13905	4.3
217.81721	2.5
227.12671	4.1
231.21272	2.4
241.19542	2.7
243.21017	2.9
259.20624	4.2
261.22101	3.6
264.26859	4.6
267.15921	3.5
269.17462	8.6
275.20267	2.0
277.21658	11.4
281.17474	8.1
313.27380	2.3
317.24667	4.0
335.25845	11.8
351.25168	9.1
437.34106	3.0
448.74704	2.2
463.30618	5.4
515.37097	4.7
517.38867	2.7
519.40417	5.4
529.38892	29.6
545.37811	3.3
611.46234	6.9
629.47748	4.1
698.41431	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	697.3767
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
50.62556	0.3
53.03949	0.9
55.01870	0.7
55.05510	1.6
57.03437	2.4
61.02930	4.2
67.05505	7.6
69.03429	2.4
69.07083	1.5
70.06603	0.8
71.01369	0.5
71.04999	4.1
71.51348	0.5
73.02929	3.4
77.93098	0.3
78.78873	0.4
79.05492	3.0
81.03441	2.2
81.07059	8.4
83.04990	1.1
83.08621	1.5
85.02911	5.6
85.06555	1.0
87.04473	0.6
91.03962	2.6
91.05479	3.4
93.07049	5.2
95.04979	0.8
95.08620	1.6
97.02892	4.2
97.06512	0.8
99.04445	0.8
101.02362	1.8
103.03960	0.5
105.07039	2.0
107.04974	0.5
107.08602	3.0
109.02898	1.3
109.10148	3.1
111.08046	0.6
113.10429	0.4
117.07040	0.6
119.08602	0.9
121.10151	1.7
123.04371	0.4
123.11753	0.9
127.03953	1.7
129.07034	0.6
131.08591	1.0
133.10175	1.8
135.11681	1.0
139.03899	0.4
145.10100	0.7
149.13266	2.0
151.11249	1.2
157.10170	0.5
159.11714	1.6
163.72153	0.4
173.11772	0.5
177.12801	0.5
183.13850	0.5
185.04221	0.7
187.13318	0.4
195.13931	0.5
203.05313	0.5
235.13191	1.2
243.08359	2.7
257.17572	0.9
267.15796	0.9
269.17352	0.9
291.15793	0.5
301.09253	0.5
323.18405	0.7
346.85455	0.4
383.24445	0.7
413.17880	1.1
453.21021	8.3
454.22620	0.5
485.23685	7.6
567.31256	2.1
596.32019	0.4
615.07635	0.5
625.31989	9.5
628.30853	0.5
697.37689	100.0
698.38000	5.0
708.96423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53448	0.4
53.03948	0.5
55.01872	0.6
55.05504	1.2
57.03436	1.7
61.02931	3.7
66.12931	0.3
67.05511	2.8
69.03433	2.5
69.07058	0.7
70.06596	0.4
71.01340	0.4
71.04980	0.9
73.02924	2.8
73.58676	0.3
73.99928	0.4
74.85892	0.3
75.02402	0.4
78.54984	0.3
79.05498	2.5
81.03419	6.3
81.07061	3.3
83.01398	0.4
83.04983	1.3
83.08622	2.5
85.02905	5.7
91.03954	2.3
91.05486	2.9
91.76244	0.4
93.07037	1.9
95.04964	2.5
95.08620	1.0
97.02895	3.4
97.06549	0.4
101.02386	1.7
105.07043	2.1
107.04950	0.5
107.08603	1.6
109.02879	0.8
109.06527	0.9
109.10165	0.9
111.04488	0.4
111.08083	1.1
117.07010	0.5
119.08609	2.0
121.10147	1.3
122.43739	0.4
123.08081	0.6
127.03935	1.2
129.07019	1.5
131.08583	1.5
133.06471	0.4
133.10115	1.5
145.10133	0.6
147.08073	0.5
147.11699	1.2
149.09706	0.6
157.10109	1.9
175.11220	1.6
185.04289	0.5
192.92017	0.4
193.12219	3.2
211.13335	2.4
221.11693	0.4
229.00833	0.6
243.08437	3.0
251.12624	4.2
300.91934	0.4
307.15118	1.1
469.20486	14.0
469.27112	0.8
521.68176	0.4
535.28851	0.8
697.34009	100.0
698.34308	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	697.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.83576	0.9
55.01866	1.8
55.05500	3.1
57.03420	2.6
61.02927	6.3
67.05174	1.2
67.05507	13.7
69.03439	3.7
69.07063	2.0
71.01347	0.8
71.05004	1.5
71.51450	0.8
73.02923	4.6
75.73063	0.7
79.05496	5.8
81.03419	5.0
81.07057	10.3
81.78664	0.8
83.04985	1.0
83.08619	3.0
85.02911	6.7
91.03983	4.1
91.05489	3.8
93.07044	5.8
95.04981	1.7
95.08624	4.3
97.02903	6.8
97.06535	1.4
99.04459	2.0
101.02370	2.6
105.07030	2.5
107.04946	0.9
107.08602	3.2
109.10165	8.7
110.07171	2.3
111.08125	0.8
117.07008	1.8
119.08597	2.5
121.10187	1.8
125.09669	0.8
127.03892	2.0
129.05447	1.7
131.08545	1.5
133.10112	2.9
135.11694	1.2
145.05003	1.6
149.13280	1.5
173.11681	2.5
185.04170	3.7
195.09955	2.6
195.13780	1.8
201.03773	2.1
203.05338	1.2
229.14420	1.5
235.13075	1.6
243.08430	3.5
257.19391	0.9
301.08939	3.1
307.15115	1.2
315.10480	3.4
339.14032	1.2
345.17096	0.9
363.21515	1.9
371.16687	3.9
373.11063	2.6
383.24557	1.3
385.18427	1.6
413.17883	11.3
417.26227	1.3
425.21579	2.5
429.17462	2.0
453.20972	9.6
465.80255	0.9
481.18625	4.1
483.22314	1.2
484.22842	1.7
485.20032	6.9
497.23773	1.4
499.21375	2.1
516.21753	1.2
527.25488	1.0
541.26471	4.0
553.29755	1.5
567.31427	22.8
568.31836	2.1
596.31665	6.2
597.32104	1.5
625.31970	100.0
626.32318	3.5
628.24597	3.0
628.30792	3.2
651.33667	6.9
653.34528	1.4
696.47028	1.4
697.34039	29.4
697.47687	2.3
708.79083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01877	1.2
55.05507	2.9
57.03427	2.5
57.07062	1.1
58.18870	0.8
61.02928	7.0
62.98652	1.0
67.05177	1.4
67.05509	18.1
69.03433	3.5
69.07062	2.7
71.05004	1.2
71.51406	1.2
73.02921	5.4
74.61028	0.7
79.05505	5.7
81.03433	5.8
81.07067	8.4
83.04962	1.6
83.08622	2.7
84.04504	1.6
85.02911	8.0
91.03960	5.3
91.05466	5.2
93.07062	4.7
95.04993	0.8
95.08609	3.2
97.02899	6.8
97.06551	1.9
99.04469	1.3
101.02383	2.6
105.07037	1.8
107.04964	1.0
107.08609	2.7
109.02871	1.9
109.10159	11.2
119.08575	3.1
120.27118	0.9
121.06497	1.8
121.10172	1.5
127.03903	3.1
131.08617	1.3
133.10114	1.6
135.11736	1.2
137.09602	1.0
145.10146	1.2
149.13330	1.1
159.11668	1.1
173.11771	4.5
181.04712	1.0
185.04230	3.0
195.09967	1.2
201.03685	1.3
203.05290	0.9
221.11505	1.8
229.14421	2.7
235.13040	1.3
243.08366	4.8
245.13910	1.0
251.12587	1.1
269.17416	1.4
301.09088	6.0
311.14798	1.1
315.10605	3.5
329.12180	1.2
346.35455	0.8
351.22870	0.9
369.15472	1.3
371.16730	2.1
373.10886	2.3
385.18369	2.9
389.26871	1.8
413.17874	22.2
425.21588	3.2
429.17300	1.2
443.19183	1.0
453.20880	6.0
463.26837	1.0
481.18753	2.1
484.22867	1.0
485.20068	7.3
497.23712	1.1
499.21652	2.8
509.10638	1.0
516.21979	1.0
529.11646	0.8
538.09570	1.0
541.26196	5.7
553.30005	2.1
555.28271	0.9
567.31390	20.4
568.32104	1.2
596.31415	6.8
623.33746	1.0
625.31952	100.0
626.32373	2.7
628.32281	4.3
651.33380	7.9
653.34973	1.3
697.34039	34.5
698.35321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01865	0.4
55.05501	1.1
57.03445	2.0
58.35871	0.3
61.02938	3.4
67.05515	2.3
69.03435	2.3
69.07076	0.7
70.06596	0.5
70.67023	0.4
70.67351	0.6
71.01353	0.6
71.04987	1.0
73.02927	3.5
79.05505	2.6
81.03436	4.1
81.07051	2.8
83.04983	1.3
83.08626	1.3
84.08141	0.4
85.02912	5.9
88.87801	0.4
91.03965	1.9
91.05492	4.0
93.07059	2.0
95.04989	2.0
95.08632	1.2
97.02909	3.7
97.06546	0.6
99.04458	0.8
101.02391	1.6
105.07028	2.3
107.08624	1.0
109.02902	0.5
109.10164	0.5
111.08118	0.6
115.03989	0.4
119.04950	0.4
119.08627	1.5
120.08064	0.4
121.10184	1.1
123.04491	0.7
123.08049	0.5
126.91408	0.3
127.03941	1.3
129.07043	1.2
131.08589	1.1
133.06523	0.5
133.10175	1.7
137.06012	0.4
138.36748	0.4
139.03838	0.4
147.04431	0.9
147.08038	0.4
147.11711	1.4
148.50386	0.3
149.09663	0.7
153.31410	0.3
155.28804	0.3
157.10168	0.9
163.11229	0.4
175.11258	0.8
179.07030	0.4
185.04245	0.6
193.12242	2.3
203.05211	0.4
211.13379	1.0
243.08511	1.9
250.14206	0.6
251.12604	1.0
280.58832	0.4
307.14954	0.9
322.04132	0.4
324.17957	0.3
441.42538	0.4
469.20499	10.6
482.28699	0.5
517.30127	0.9
535.30908	1.2
544.62390	0.5
644.94763	0.4
679.33862	0.5
697.34094	100.0
698.34277	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	696.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.4
55.01871	8.6
55.05272	3.3
55.05515	40.1
57.03442	14.7
57.07069	7.3
59.04976	2.5
59.41612	2.2
65.03935	6.4
67.05509	96.1
69.03426	5.6
69.07076	34.8
69.16054	5.4
69.16464	15.9
71.04986	8.4
71.08630	14.7
79.05496	84.1
81.03429	12.3
81.07063	100.0
83.04987	15.0
83.08626	21.0
85.06551	4.7
91.05485	73.7
92.05804	2.2
93.07051	84.6
95.04966	16.0
95.08618	55.7
97.06526	11.8
97.10170	5.8
99.08092	10.5
103.05475	2.0
105.04507	3.1
105.07040	60.8
107.04954	6.8
107.08595	40.0
109.06520	8.7
109.10149	23.9
111.08076	6.0
115.05442	3.4
117.07043	21.2
119.07805	3.1
119.08595	41.0
121.06535	5.8
121.10150	24.3
123.08079	6.2
123.11720	8.2
125.09628	5.4
128.06242	2.7
129.06984	10.6
131.08582	30.3
133.10118	27.5
135.08063	3.6
135.11716	18.1
137.09651	3.7
139.11143	6.1
141.06969	3.9
143.08569	7.8
145.10135	21.2
147.08058	2.3
147.11684	21.3
149.09610	9.2
149.13316	18.7
151.11198	6.3
155.08546	4.2
157.10153	7.2
159.11723	16.0
161.13287	11.7
163.11162	7.6
163.14822	3.9
165.12814	3.7
169.10199	4.6
171.11713	9.2
173.13237	6.6
175.14838	3.6
177.12762	6.9
179.14334	2.6
181.10205	2.6
181.12230	2.7
183.11658	4.2
185.13261	6.0
187.14780	3.5
189.11159	2.6
189.12802	2.4
195.13812	6.2
197.13313	3.5
199.14810	4.5
206.38019	2.0
227.12793	3.0
239.18010	2.3
243.20959	2.6
247.20728	2.2
253.14372	3.4
255.15881	5.1
257.18942	2.9
259.20728	5.2
261.22119	6.2
267.16037	2.9
269.17325	13.6
275.20029	13.1
277.21606	7.4
293.21075	29.2
317.24615	2.8
321.73010	2.1
333.24353	3.6
335.25970	12.9
349.23660	5.9
351.25183	4.7
367.24753	5.6
463.30634	3.1
515.37244	4.8
527.37250	5.9
529.38580	8.5
559.35852	2.2
561.37677	13.7
609.44922	4.7
627.45782	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05650	1.4
60.28998	1.2
60.44960	1.2
60.81081	1.2
69.07054	1.5
69.15656	5.0
69.16087	9.1
70.06590	2.7
100.11245	2.7
101.63935	1.4
122.06046	1.4
140.07141	2.4
144.15569	1.5
152.07066	2.6
156.10153	1.8
175.11975	1.9
194.08115	2.0
210.14832	2.0
225.10333	1.7
235.08528	1.7
237.10214	5.8
243.11209	1.3
249.10141	6.7
250.10991	4.9
251.11838	12.1
253.09660	6.0
263.11893	10.2
265.09692	15.5
265.12527	1.8
267.11227	5.0
277.09756	5.0
278.10464	6.7
279.07755	4.4
279.11276	19.6
280.11920	5.3
281.12823	2.4
283.10748	2.4
285.12274	2.3
289.09509	1.8
291.11319	4.1
292.11890	1.3
293.09177	6.3
293.12845	6.9
294.10001	3.4
294.13303	1.5
295.10828	5.7
295.14185	2.6
296.11472	1.7
297.12299	6.0
307.10757	6.4
308.11932	1.5
309.08975	2.3
309.12076	8.7
311.10080	2.2
311.13608	1.9
312.11060	8.8
313.11920	1.6
323.13937	7.5
324.11032	3.7
325.11816	16.0
326.12601	1.4
327.13382	46.0
335.10245	6.2
336.11008	6.5
337.11642	4.4
339.13400	98.9
340.13892	4.6
344.14056	1.5
345.14688	2.5
352.10495	2.4
353.11346	6.8
367.12891	77.4
368.13571	15.5
369.14258	5.1
376.23483	1.3
385.13904	7.4
399.15585	17.4
476.18011	3.7
508.20819	83.9
509.21240	3.9
526.22083	3.4
540.23456	100.0
541.23712	2.9
615.24304	5.1
633.25928	1.4
697.51721	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	696.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90003	1.5
53.03947	7.7
55.01862	5.6
55.05273	2.3
55.05513	30.4
56.64574	1.7
57.03436	10.8
57.07070	5.7
65.03934	5.8
67.05505	95.1
69.03429	1.8
69.07072	31.1
71.04974	5.6
71.08633	9.4
79.05024	1.9
79.05495	77.9
81.03407	6.3
81.07059	100.0
82.07401	2.6
83.04973	12.3
83.08623	18.6
85.06543	4.5
88.82482	1.4
91.04903	3.4
91.05482	77.8
93.07047	81.2
94.07361	1.8
95.04983	16.7
95.08608	53.3
96.62677	1.6
97.06528	12.0
97.10157	8.4
98.09703	3.3
98.21653	2.0
99.08098	9.0
100.11253	2.2
103.05460	3.6
105.04504	2.9
105.07033	61.8
107.04942	5.4
107.08596	37.7
109.06509	5.1
109.10155	19.7
111.08096	4.6
111.11746	1.8
115.05469	4.3
116.06211	1.4
117.07003	23.3
119.08588	36.5
121.06522	4.6
121.10147	26.5
123.08067	4.9
123.11716	5.3
125.09612	3.7
128.06233	3.7
129.07021	17.2
130.07788	2.6
131.08571	30.8
133.10132	28.5
135.08064	4.3
135.11697	16.4
137.09581	3.4
137.13293	3.2
139.11133	2.7
141.06964	2.6
142.07750	1.9
143.08569	12.2
145.10138	21.8
147.08017	2.8
147.11707	20.8
149.09599	5.4
149.13287	16.5
151.11134	3.2
155.08571	3.9
157.10120	9.2
159.07967	1.4
159.11696	19.1
161.09625	2.6
161.13225	9.8
163.11174	3.2
163.14810	3.1
165.12712	3.0
166.29872	1.4
168.09491	1.4
169.10118	4.5
171.11674	12.8
173.11908	1.8
173.13222	8.6
175.11200	3.0
175.14821	4.7
177.12703	4.0
179.14304	4.4
183.11687	3.5
185.13263	5.6
187.11017	1.7
187.14862	6.2
188.31116	1.5
189.12698	1.9
191.14197	1.8
195.11732	1.8
195.13686	1.9
197.13335	3.7
199.14799	4.4
201.16370	2.5
207.13860	2.0
209.13306	3.1
211.14792	2.6
213.16438	3.2
217.19580	1.9
241.19611	3.4
243.21077	2.7
257.18991	3.5
259.20612	8.2
261.22159	4.8
269.17480	5.9
273.21857	1.6
275.20084	8.5
277.21674	5.0
293.21103	4.4
315.23227	1.9
317.24762	1.8
333.24396	1.6
335.25787	7.3
349.23697	2.5
351.25607	1.8
471.34268	1.8
475.30594	4.0
527.37085	3.5
529.39069	5.5
573.48114	1.8
595.86560	1.5
611.46759	7.7
696.43640	3.7
700.32831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3255
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03954	0.7
55.01871	0.8
55.05521	2.3
57.03440	2.4
59.22819	0.4
61.02932	3.3
61.03591	0.4
67.05509	6.7
68.05833	1.2
69.03419	1.9
69.07061	1.7
70.06578	0.5
71.04985	1.5
73.02904	1.6
75.62817	0.4
79.05500	5.1
81.03423	5.7
81.07059	7.0
82.07400	1.2
83.04981	2.0
83.08635	2.6
85.02908	4.8
86.03243	0.6
86.09694	0.8
91.03949	1.8
91.05487	6.8
92.05830	0.5
93.07048	4.9
93.74770	0.4
94.07386	0.5
95.04534	0.4
95.04984	3.6
95.08607	3.9
97.02883	3.1
97.06525	1.0
97.10176	0.5
98.21551	0.7
99.04436	0.5
101.02376	0.5
105.07045	3.8
107.04955	1.8
107.08598	3.3
109.06535	1.2
109.10172	3.1
110.10498	0.5
111.04465	1.1
111.08096	1.0
113.06026	0.6
115.03928	0.5
117.07020	1.4
119.04948	1.7
119.08606	2.9
121.06486	0.9
121.10178	2.1
123.04424	0.7
123.11765	0.6
125.00021	1.2
127.03944	0.9
129.07091	1.0
131.08592	1.8
132.08862	0.5
133.10146	1.6
135.11671	3.6
136.12129	0.5
137.05896	0.5
145.10129	2.5
147.04428	3.4
147.11678	1.8
149.09633	1.1
149.13278	0.7
151.11151	0.5
157.10167	1.5
159.11717	0.7
163.11147	4.0
165.12787	0.6
175.11194	1.4
181.12209	0.7
184.07382	2.9
193.12187	2.5
194.12563	0.5
203.05403	0.5
211.13319	1.9
212.13655	0.5
219.10083	0.9
227.12791	2.5
243.08443	2.7
243.16086	0.6
249.10992	5.4
251.12589	2.8
265.08710	0.4
267.15961	2.0
268.16235	1.5
269.17560	0.7
273.09219	0.8
276.07962	0.5
285.17053	1.1
286.17471	0.8
287.18271	0.4
288.18771	0.5
296.62518	0.5
305.07980	0.5
305.13550	2.1
307.15170	0.6
319.09549	2.8
321.11215	0.8
351.12302	1.9
352.13190	0.7
439.26935	1.5
440.27325	2.7
448.27866	1.1
454.28781	1.3
457.81320	0.5
462.29282	1.2
465.28564	0.6
466.29108	1.1
467.18954	9.8
469.20480	9.4
480.30420	1.1
497.30658	0.5
498.31323	2.6
533.27020	0.9
603.69122	0.5
695.32379	100.0
696.32953	4.6
706.44031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3251
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03947	1.5
55.05503	2.1
57.03435	2.1
60.03028	0.5
61.02923	3.0
64.69676	0.5
67.05511	4.4
69.03422	1.8
69.07060	1.7
69.31151	0.5
70.67061	0.9
70.67391	1.0
71.05003	1.4
73.02924	2.8
74.40691	0.5
79.05495	4.6
81.03418	5.3
81.07061	5.7
83.04984	1.9
83.08615	2.3
85.02900	5.1
86.09715	0.6
87.04465	0.5
91.03957	2.2
91.04968	0.6
91.05486	4.6
91.14875	0.5
92.05814	0.9
93.07059	5.4
94.07370	0.8
95.04984	2.6
95.08597	2.5
97.02895	3.3
97.06493	1.0
97.10117	0.5
99.04453	0.7
101.02390	1.6
105.07042	2.3
107.04952	1.0
107.08598	3.1
109.02883	0.7
109.06494	0.7
109.10134	1.4
111.08092	0.8
119.04948	0.8
119.08591	3.3
121.06514	0.6
121.10159	2.1
123.08047	0.9
125.09716	0.5
127.03938	1.2
129.06999	1.6
131.08569	1.8
133.10127	2.1
135.11720	2.8
136.19901	0.5
145.10144	2.3
147.04440	1.9
147.11699	1.4
149.09644	0.7
149.13271	0.6
157.10170	1.2
161.05788	0.5
163.11188	3.6
169.24101	0.5
175.11191	1.0
181.12224	1.2
184.07312	1.6
185.04378	0.6
185.09444	0.5
187.13109	0.6
192.04158	0.5
192.05984	0.5
193.12317	1.7
194.12585	0.9
195.13809	0.5
211.13249	1.1
227.12790	2.5
243.08459	2.2
249.11031	6.9
251.12656	1.2
253.14206	0.6
257.73486	0.6
267.15964	0.9
268.16467	0.8
269.17499	1.1
270.17899	1.0
305.13614	1.7
454.29266	0.7
461.29007	0.8
462.29489	2.7
467.18829	6.7
469.20520	8.2
480.30386	1.1
498.30914	0.9
518.52325	0.6
533.28027	0.7
695.32385	100.0
696.32581	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	694.489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98378	1.9
51.18340	2.6
51.59708	2.1
53.03947	10.3
55.01863	7.5
55.05516	33.0
57.03450	12.4
58.83127	2.1
65.03935	6.3
67.05510	87.1
69.03405	2.3
69.06725	3.7
69.07075	42.6
69.17304	4.5
69.17715	19.4
71.04997	6.4
79.05499	75.4
80.05835	2.1
80.48366	2.3
81.03404	9.4
81.07062	100.0
83.04984	13.2
83.08621	13.9
85.06535	5.1
91.05486	61.8
92.89449	2.4
93.07053	71.1
95.04980	15.5
95.08608	39.4
97.06548	20.1
97.10181	6.8
98.20744	5.8
99.08097	4.9
103.05455	3.2
105.07042	46.1
107.04948	10.5
107.08610	41.6
109.06506	8.0
109.10184	14.8
111.08095	4.4
115.05447	2.7
117.07024	23.5
119.08585	36.9
121.06500	7.6
121.10152	23.9
123.08102	6.6
123.11723	7.3
125.09616	5.4
128.06253	2.6
129.07014	8.2
131.08568	26.6
133.10150	31.2
135.08060	8.6
135.11694	20.7
137.09607	4.0
141.06961	4.0
143.08566	10.2
145.10123	21.1
147.11684	19.2
149.09639	16.8
149.13269	14.7
151.11198	4.3
155.08537	4.7
156.09354	2.1
157.10126	8.6
159.11703	22.4
161.13306	5.4
163.11209	15.1
171.11676	9.2
173.13298	6.6
175.11157	2.9
177.12798	7.2
179.14346	6.9
183.11667	3.9
187.14873	3.2
189.12749	2.4
194.26836	2.3
195.11940	2.1
195.13832	8.1
197.13283	3.4
217.15887	2.6
227.12749	5.2
229.19630	3.2
239.17917	4.0
247.20667	4.1
251.16385	3.1
255.15959	17.0
257.19019	11.1
269.17517	31.7
275.20081	38.8
323.24207	2.4
327.70178	2.2
349.23770	25.6
367.25003	5.6
431.27975	2.5
449.29028	17.7
451.32220	2.9
463.30615	24.3
529.35217	5.2
543.36676	17.1
561.37659	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	694.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84802	2.5
53.03940	8.2
55.01875	10.2
55.05269	3.2
55.05518	43.9
55.24604	2.4
57.03444	13.4
57.07076	4.6
65.03963	6.2
67.05509	87.4
67.19523	2.5
69.03440	5.7
69.07076	50.6
69.91857	4.6
69.92253	6.0
71.04995	7.8
75.50857	2.2
79.05503	76.9
79.05970	4.0
81.03415	8.5
81.07063	100.0
83.05012	12.6
83.08623	23.7
85.06525	5.8
91.05492	73.0
93.07059	78.0
95.04980	20.1
95.08614	46.9
97.06532	21.8
97.10206	13.6
99.08107	3.7
103.05489	2.7
105.04547	2.7
105.07043	55.7
107.04977	12.8
107.08610	51.0
109.06521	8.7
109.10168	20.3
111.08080	9.6
115.05458	2.9
115.57635	2.3
117.07016	21.2
119.08585	37.2
121.06545	8.3
121.10150	27.7
123.08083	8.4
123.11718	5.3
125.09651	12.0
128.06197	2.5
129.07010	11.2
131.08585	33.5
133.10150	34.8
135.08049	6.9
135.11690	27.9
137.09604	6.0
138.41245	2.5
141.06998	6.2
143.08559	10.9
145.10112	27.2
147.08061	2.8
147.11694	22.0
149.09628	15.0
149.13289	15.5
151.11156	3.5
153.12779	2.8
155.08569	6.0
157.10141	9.6
159.11702	23.3
161.09628	3.1
161.13264	6.3
163.11121	13.9
169.10165	5.1
171.10207	3.6
171.11731	9.0
173.13277	10.3
175.11285	2.5
177.12779	3.2
179.14328	7.2
181.12183	3.6
182.14246	2.6
183.11748	6.3
185.09641	2.7
185.13182	2.6
187.11159	3.1
189.11278	3.7
195.13858	8.9
197.13269	6.2
199.14879	3.7
227.12755	15.4
229.14345	3.6
229.19559	5.9
239.17937	6.1
247.20613	4.4
249.16829	2.3
255.15842	14.2
257.19000	14.3
266.24893	2.7
267.15994	5.1
269.17578	27.0
275.20090	56.2
291.19415	3.3
293.21085	7.9
313.21756	2.8
321.24255	3.6
331.22684	3.4
349.23706	29.6
367.24820	6.6
448.31039	2.9
449.29050	18.1
463.30478	16.1
529.35352	6.2
543.37042	24.8
561.37750	4.0
641.43475	4.5
660.15637	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	694.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
54.52891	2.1
55.01865	9.3
55.05520	41.8
57.03429	14.5
57.07064	2.0
59.74628	1.9
65.03931	6.4
67.05511	100.0
69.03449	4.4
69.07076	48.7
71.01026	4.6
71.04996	5.9
71.08633	4.8
79.05502	82.8
81.03425	6.5
81.07067	94.5
81.92803	2.5
82.07384	2.1
83.04996	13.4
83.08620	16.2
85.06543	6.3
91.05491	82.3
93.07050	80.8
95.04991	16.6
95.08618	51.2
95.09129	1.5
97.06519	11.5
97.10175	10.2
98.09663	2.1
99.08118	3.3
103.05530	2.5
105.04497	3.8
105.07042	70.7
107.04967	6.9
107.08606	46.5
109.06512	7.9
109.10176	20.8
111.08070	7.5
115.05507	5.7
117.07029	27.4
119.08601	47.5
120.08810	2.3
121.06522	6.1
121.10164	27.0
123.08102	4.6
123.11719	6.7
125.09666	6.4
128.06229	4.5
129.07047	14.7
131.08589	33.3
133.10143	37.2
135.08105	7.0
135.11703	18.5
137.09663	5.2
141.06975	2.8
142.07808	5.0
143.08578	14.2
145.10129	28.1
147.08076	3.2
147.11714	23.4
149.09625	10.1
149.13263	12.4
151.11185	3.9
155.08574	9.4
156.09323	2.3
157.10185	13.4
159.11696	22.2
161.13272	9.3
163.11179	9.6
165.12695	2.8
169.10156	7.6
171.11714	13.3
173.11855	2.3
173.13268	9.5
175.11212	2.8
175.14897	4.0
177.12810	4.9
179.14343	2.5
181.10155	3.5
183.11662	4.6
185.13322	6.3
187.11281	2.8
187.14825	5.0
195.11720	2.8
195.13780	4.2
197.13229	3.8
199.14876	5.2
201.12840	2.3
209.13266	3.7
223.14934	2.3
229.19403	3.0
239.18074	4.0
241.19493	3.2
255.15901	4.8
257.19022	6.5
259.20679	11.4
267.15945	3.4
269.17566	7.2
272.26169	2.3
275.20117	19.9
291.19434	3.8
293.21182	16.3
333.24371	11.6
349.23862	7.6
367.24774	5.2
373.71448	2.5
401.36172	2.3
463.30417	4.0
513.35645	5.7
522.37549	2.5
527.37402	8.7
543.36395	3.6
561.38232	4.2
625.44507	4.7
718.80219	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	694.489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.3
53.03956	12.3
53.06590	1.9
55.01868	6.4
55.05519	32.1
56.05038	2.7
57.03445	11.8
57.07071	5.5
59.13518	2.1
65.03939	7.0
67.05511	100.0
69.07073	36.7
69.35709	3.5
69.36118	13.0
70.07405	2.3
71.05000	6.6
71.08637	4.6
79.05502	82.4
81.03437	10.7
81.07063	92.5
83.05002	14.1
83.08636	16.3
85.06545	5.3
91.05489	99.8
93.07050	84.3
93.88729	1.8
95.04982	20.5
95.08617	58.3
96.08901	2.7
97.06538	10.9
97.10175	7.9
98.09693	5.7
98.20651	2.2
99.08076	2.1
103.05457	5.2
105.04521	3.5
105.07043	72.4
107.04955	9.2
107.08604	43.4
109.06517	8.0
109.10159	23.3
110.09588	2.0
111.08097	6.1
115.05474	3.5
117.07035	32.9
119.08591	51.2
120.17465	1.8
121.06506	5.5
121.10159	29.7
122.80179	1.9
123.08074	6.4
123.11695	3.4
125.09663	6.0
128.06245	6.9
129.05521	2.5
129.06999	18.5
130.07799	1.9
131.08585	38.6
133.06552	3.0
133.10146	37.0
135.08025	3.1
135.11729	13.7
137.09726	2.9
141.07001	6.0
142.07820	3.8
143.08572	16.0
145.10144	28.8
146.10677	2.2
147.11702	27.4
149.09636	6.6
149.13297	11.3
151.11266	3.2
155.08495	4.8
157.10123	13.2
159.11723	20.8
161.13257	11.2
163.11253	3.6
163.14876	3.0
165.12715	2.1
167.08556	3.9
169.10129	5.6
171.11723	11.4
173.13251	11.6
175.14812	4.8
177.12811	4.2
179.14355	3.3
181.10129	5.2
183.11769	9.7
185.13315	7.9
186.17296	2.1
187.14885	3.9
189.11304	2.0
189.12831	3.3
195.11755	5.6
195.13597	2.1
197.13316	5.4
199.14890	5.2
207.13782	2.4
209.13319	2.4
211.14890	2.3
221.13429	2.1
227.12708	2.2
233.15398	2.8
235.14743	2.0
241.19571	4.8
249.16451	1.9
257.18936	6.5
259.20657	10.6
269.17606	4.0
273.18512	2.4
275.20187	9.9
281.17584	2.9
293.21106	9.4
315.23096	2.2
333.24286	5.3
335.25790	3.2
349.23895	4.8
367.25620	2.4
527.37408	5.9
609.44904	8.0
625.44385	2.4
694.45886	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	693.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01859	0.9
55.05512	4.2
57.03444	3.6
61.02917	3.0
61.16219	0.7
67.05509	9.3
68.05850	1.4
69.03429	3.2
69.07060	2.9
70.03375	1.4
70.03783	2.1
71.04997	1.7
73.02914	1.6
79.05499	8.9
80.05798	0.7
81.03424	7.4
81.07059	12.7
82.07394	1.1
83.04971	2.4
83.08611	3.9
85.02917	4.4
86.09736	0.6
91.03965	1.1
91.05484	7.3
93.07052	9.8
94.07352	0.9
95.04961	3.8
95.08608	7.7
96.05285	0.9
96.08935	0.9
97.02911	4.6
97.06532	1.4
97.10188	1.0
99.04451	1.5
101.02383	1.6
105.07047	4.8
106.07373	1.3
107.04944	2.2
107.08595	5.8
109.02898	1.2
109.06529	1.8
109.10152	1.5
111.04446	0.9
111.08051	1.2
117.07029	1.8
119.08569	3.7
120.08935	1.3
121.06475	0.9
121.10159	4.3
122.10513	0.8
123.04481	0.6
123.08064	1.4
123.11735	0.9
125.05947	0.9
125.09602	1.1
129.06990	1.0
131.08562	1.9
133.06502	0.7
133.10156	3.2
135.08044	0.8
135.11694	8.3
139.11270	0.7
145.10133	5.3
147.04425	1.7
147.11684	3.2
148.12059	1.5
149.09581	0.7
149.13272	1.2
153.12869	0.7
155.64861	0.7
157.10115	1.3
163.11185	10.3
165.12817	0.7
175.11180	1.4
181.12277	1.8
184.07306	1.0
191.10590	0.8
193.12231	3.2
194.12622	1.1
209.11667	0.7
211.13277	4.4
211.53276	0.6
212.13702	1.4
219.09993	1.2
227.12787	7.6
228.13191	0.7
243.08464	2.3
249.11024	8.8
267.15976	3.4
268.16220	1.8
269.17487	1.3
283.15341	1.0
285.16904	5.9
286.17392	3.7
301.16452	1.4
305.13678	3.6
305.16638	0.8
386.24033	0.9
460.27686	1.4
467.18924	27.2
477.28519	1.9
478.28735	4.3
495.29608	3.3
496.29974	10.5
693.30798	100.0
694.31012	5.0
701.55304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
55.01877	12.6
55.05512	36.4
57.03444	10.6
57.07083	2.6
61.02931	2.5
62.18511	1.7
65.03936	4.9
67.05508	69.8
68.05847	1.7
69.03434	13.4
69.07072	47.9
70.06591	5.6
71.05002	3.4
71.08601	1.7
71.50996	1.4
76.00047	1.6
78.72919	1.6
79.05499	61.2
81.03423	18.2
81.07062	71.5
82.03737	2.0
82.72195	1.6
83.04978	12.2
83.08627	14.0
84.04494	5.6
85.02904	3.2
85.06564	2.7
86.09669	1.9
90.66378	1.7
91.05482	56.3
92.05814	2.1
93.07049	56.4
93.07645	3.1
95.04978	15.0
95.08613	27.8
97.02907	11.9
97.06536	14.3
97.10162	15.6
98.98465	2.3
99.04444	2.9
99.13756	1.6
101.49908	1.6
103.05489	2.2
105.04523	3.2
105.07038	36.6
106.07407	2.5
107.04969	12.9
107.08597	35.8
109.02864	2.2
109.06525	6.8
109.10153	19.4
111.04477	1.7
111.08102	5.3
116.07101	4.6
117.07008	17.6
119.08588	29.2
121.06514	6.2
121.10147	16.4
123.08069	5.8
123.11702	4.4
125.00044	1.7
125.09628	11.9
129.07016	7.0
131.08585	22.7
132.08928	1.6
133.06493	5.7
133.10147	20.2
135.08076	5.9
135.11671	12.9
136.05145	1.7
137.09631	4.1
141.06973	2.7
141.96152	1.4
143.08562	8.8
145.10138	17.6
147.08047	7.8
147.11702	11.9
148.12022	2.0
149.09663	10.4
149.13292	6.7
151.11176	3.8
153.09288	2.0
153.12846	1.8
153.21907	1.5
155.08603	2.8
157.10100	6.5
159.11681	13.0
161.09666	2.8
161.13341	3.1
163.11209	9.0
165.12813	1.8
169.10182	4.2
171.11716	4.0
173.13248	3.9
175.11194	3.3
177.12756	4.1
179.14302	3.3
181.10153	1.9
183.11659	2.0
184.07370	6.7
184.12154	1.6
185.13327	2.8
187.14757	2.1
189.11246	4.4
193.12308	2.8
195.13875	3.9
205.12248	2.4
213.16586	2.3
223.13232	18.6
227.12801	8.2
227.17880	1.6
239.17863	1.9
249.14908	2.2
253.14381	5.2
255.15991	6.7
257.19022	6.0
263.20181	1.8
267.15768	2.0
269.17429	12.2
273.18530	13.0
275.20108	17.8
291.19556	100.0
292.19803	2.4
331.22852	2.0
349.23737	13.6
365.23239	25.7
529.38190	1.7
530.39026	6.7
541.35620	1.9
545.34589	10.0
559.36194	32.7
639.42310	9.6
692.40826	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	692.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01880	11.1
55.05518	35.4
56.02433	1.8
57.03450	10.6
57.07078	3.1
59.05004	2.6
61.02920	3.2
62.61744	1.6
65.03943	5.1
67.05511	68.5
67.18052	1.8
68.05830	2.1
69.03433	13.2
69.06734	3.4
69.07076	48.3
71.04988	5.8
71.51616	3.0
73.02905	2.3
79.05503	59.7
80.05820	2.5
80.47238	1.6
81.03429	15.9
81.07066	68.6
83.04978	11.6
83.08634	16.9
84.04527	3.6
85.02876	4.5
85.06571	2.1
86.09721	3.2
89.05990	3.0
91.04922	3.2
91.05491	50.2
92.65733	1.8
93.07056	51.1
93.10479	1.7
95.04967	18.3
95.08614	30.7
97.02917	11.9
97.06541	11.0
97.10180	16.2
98.98449	1.9
99.08077	2.3
103.05458	1.9
105.07045	41.5
107.04966	13.9
107.08610	36.9
109.02869	2.1
109.06511	9.4
109.10163	18.3
109.22761	1.7
110.10511	1.8
111.08073	4.1
115.05460	3.3
117.07032	21.3
119.04966	2.1
119.08595	30.7
120.08971	2.2
121.06535	7.1
121.10142	17.6
123.04533	2.1
123.08081	6.0
123.11696	4.2
125.00005	1.7
125.09645	17.0
127.03996	2.2
127.04927	2.0
128.06250	2.8
129.06995	8.5
130.07767	2.0
131.08588	25.4
133.06569	4.8
133.10149	22.3
134.07243	2.1
135.08067	6.5
135.11713	12.1
137.09610	4.8
141.07010	2.6
143.08554	9.1
145.10133	19.1
146.10429	2.2
147.08075	6.3
147.11694	14.2
149.09639	9.4
149.13306	10.9
149.87915	2.0
151.11230	3.1
157.10103	8.0
159.08089	2.7
159.11702	16.3
161.09592	3.7
161.13310	4.7
163.11197	8.3
165.09180	2.1
165.12814	2.9
167.02751	1.7
169.10214	3.0
169.12276	1.8
171.11670	5.3
173.13293	4.1
175.11176	3.4
177.12666	4.4
181.10130	2.2
183.11684	3.4
184.07390	9.0
185.13252	4.2
187.14861	2.1
189.11229	5.9
193.12273	2.8
195.13770	3.1
197.13242	1.7
199.14792	2.4
201.16479	1.9
205.12294	2.1
223.13297	14.3
227.12726	11.1
227.17979	1.9
229.19514	2.2
239.17894	3.1
245.19099	2.3
249.14796	2.7
255.16043	7.6
257.18945	4.5
267.15894	2.8
269.17520	9.9
273.18542	18.3
275.20132	18.8
289.18140	2.3
291.19565	100.0
303.22980	2.1
347.22141	2.3
349.23743	16.6
356.22623	1.9
365.23346	23.3
461.28882	2.4
530.39258	10.9
541.35095	2.8
545.34576	10.0
559.36536	23.5
563.36914	3.0
639.42273	7.4
692.40533	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62879	2.3
51.02384	2.9
53.03942	7.1
55.01864	9.9
55.05269	2.8
55.05510	34.2
55.55804	2.0
56.72549	2.0
57.03448	11.7
57.07076	4.2
65.03933	5.7
67.05508	100.0
69.03433	8.0
69.06724	3.8
69.07069	32.9
71.04984	6.9
71.08636	3.3
74.51417	2.4
75.21271	2.0
79.05498	75.9
79.05959	3.7
81.03423	15.6
81.07059	96.9
83.04972	14.8
83.08623	16.4
85.06554	8.0
91.05482	87.6
93.07050	71.8
95.04955	17.4
95.08610	50.1
97.06528	11.8
97.10180	7.0
99.04458	2.5
99.08071	3.0
103.05470	4.0
105.04514	3.3
105.07037	83.7
106.07375	2.5
107.04954	11.8
107.08598	44.5
109.06515	10.4
109.10158	48.6
111.08078	5.8
115.05453	3.7
117.07008	27.3
119.08579	48.4
119.09377	4.2
121.06517	7.1
121.10121	21.6
123.08059	8.2
123.11705	11.9
125.09644	5.3
127.03870	2.6
128.06226	5.2
129.05444	2.4
129.07005	13.2
131.08563	31.9
133.06436	4.5
133.10136	81.0
135.08008	12.5
135.11649	16.2
137.09668	6.1
139.07603	2.2
141.06996	4.5
142.07773	2.9
143.08569	10.6
145.10109	23.8
147.07967	5.2
147.11679	20.6
149.09627	6.9
149.13272	8.8
151.11195	31.8
152.11549	2.4
155.08578	3.4
157.10132	12.8
159.08092	4.4
159.11699	19.2
161.09608	11.1
161.13281	11.2
163.11198	8.3
169.10176	4.0
169.12244	4.3
171.11679	12.3
173.09608	3.0
173.13306	6.1
175.11249	4.4
175.14870	4.3
177.12776	4.2
179.10712	4.0
179.14326	4.9
181.10126	2.7
181.12260	2.9
183.11732	6.0
185.13312	5.6
189.12738	2.7
199.14790	4.1
213.16382	2.5
215.12827	2.9
229.19405	3.4
239.18028	2.7
241.19582	4.9
245.19043	4.4
253.14377	41.1
257.19095	3.6
259.20523	18.1
263.20120	3.3
269.17404	3.0
273.18533	14.1
275.20117	10.7
277.21875	2.6
291.19525	15.0
293.21017	5.8
315.23209	3.7
333.24426	14.7
335.25900	2.3
336.25986	3.2
347.76593	2.3
349.23709	4.3
365.23532	11.4
403.90524	2.7
511.33862	2.8
529.35309	6.7
530.39038	3.8
547.27826	3.1
559.35895	3.2
594.45709	5.7
623.42749	8.3
692.43817	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
54.03170	1.8
55.01870	3.1
55.05510	20.0
57.03442	17.9
59.04984	4.2
61.02922	6.0
62.21399	2.1
66.10537	1.7
67.05508	33.2
69.03439	4.7
69.07072	8.8
70.56606	3.7
70.56940	2.9
71.04980	8.5
79.05495	32.2
81.03425	93.7
81.07059	35.3
83.04994	20.2
83.08624	31.5
85.02908	31.2
87.74594	2.2
91.05485	48.8
93.07052	20.8
93.62829	1.8
95.04973	36.9
95.08617	14.0
97.02895	8.7
97.06526	8.6
97.10169	6.6
105.07042	31.1
107.04949	9.2
107.08607	12.1
109.06511	7.5
109.10164	4.1
111.04486	2.0
111.08086	14.1
113.05981	3.8
117.06995	3.1
119.08601	28.2
121.06490	3.6
121.10125	11.9
123.08047	3.9
123.11671	1.9
125.09638	2.3
127.03862	2.3
129.07025	16.9
129.38168	1.9
131.08572	16.8
133.06482	4.2
133.10146	16.1
137.09631	2.9
142.07819	5.7
145.10114	2.4
147.08049	3.8
147.11688	22.4
149.09587	10.0
150.27524	1.8
157.10146	21.1
165.12759	4.4
175.11237	22.1
193.12257	63.1
202.09615	2.0
211.13309	100.0
212.13577	2.3
233.10942	1.9
239.22028	1.8
267.15942	38.5
285.16971	85.1
286.17392	2.1
367.22800	2.2
385.23758	4.4
403.52664	2.2
433.25409	2.5
456.72455	3.0
459.27435	25.4
477.22983	2.4
477.28555	23.6
495.29556	63.5
496.29544	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	692.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30180	1.0
53.03948	2.6
55.01871	3.4
55.05515	18.8
57.03439	9.8
57.07072	3.2
59.05003	1.3
61.02929	3.5
65.03945	3.4
67.05508	75.4
69.03432	3.6
69.07070	15.3
69.71329	5.6
71.04999	15.8
73.02917	2.0
79.05498	31.2
81.03419	5.8
81.07061	100.0
83.04988	8.0
83.08618	12.9
85.02911	6.6
85.06547	6.8
87.04462	2.0
91.03935	1.6
91.05486	25.2
93.07051	46.0
95.04987	4.9
95.08617	19.1
97.02895	2.6
97.06526	8.4
97.10173	4.8
98.21429	1.7
99.08105	3.5
105.07047	11.8
107.04966	1.7
107.08597	24.5
108.14796	1.1
109.06507	2.9
109.10164	22.7
109.51865	1.4
109.52657	1.2
111.08083	4.9
113.05977	1.7
115.08503	1.0
117.07005	8.0
117.15247	1.2
119.08560	4.0
121.06514	1.6
121.10149	14.1
123.08056	1.2
123.11693	9.1
125.09646	4.3
129.06975	1.8
131.08583	8.2
133.10133	17.2
135.08051	1.7
135.11659	7.1
139.11140	1.1
147.11719	3.0
149.09612	1.0
149.13261	21.4
149.24976	1.1
151.11186	4.3
153.12688	1.7
155.10645	1.5
159.11702	8.7
163.11191	2.6
173.11768	5.0
177.12788	4.6
181.12260	1.6
183.13818	2.0
187.13309	2.6
193.12242	1.6
195.13814	11.4
199.13318	2.5
209.11713	2.6
213.14885	1.2
227.12869	2.1
229.14348	15.5
257.17548	1.6
267.15866	2.5
269.17493	34.9
283.15427	1.7
301.16470	5.3
301.20148	6.5
411.27469	3.7
423.27383	14.2
437.29013	36.6
451.30594	5.8
463.30573	89.1
464.30884	3.7
495.34103	22.0
513.30756	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	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01860	6.5
55.05270	2.2
55.05515	34.5
57.03435	20.6
57.07071	3.2
59.04988	3.4
61.02926	8.1
63.81793	1.3
65.03923	3.8
67.05506	100.0
68.05830	1.3
69.03429	6.1
69.07073	17.9
71.01365	3.1
71.04989	5.6
71.08627	1.5
73.02913	5.0
79.05495	40.4
81.03429	11.2
81.07056	78.9
83.04980	8.0
83.08624	21.1
85.02909	16.1
85.06523	4.4
87.04464	5.5
91.03954	4.6
91.05491	26.3
93.07047	48.8
95.04968	9.5
95.08603	22.8
97.02899	8.2
97.06552	10.0
97.10188	12.1
99.04424	1.6
99.08141	1.5
103.03948	1.8
105.07043	13.1
107.04955	4.3
107.08600	25.6
109.06505	2.5
109.10160	51.3
111.04490	1.5
111.08078	5.2
116.04691	1.5
117.01760	1.3
117.07013	7.5
119.08561	11.6
121.06545	1.6
121.10147	14.4
123.08097	2.1
123.11683	5.6
125.09617	12.2
126.94662	1.4
129.05466	5.7
129.07036	1.9
131.08569	8.5
133.10138	14.2
135.08128	2.1
135.11679	14.6
143.10704	3.6
145.10139	5.6
147.11647	2.3
149.09679	1.9
149.13290	13.5
151.11215	2.2
153.12772	2.9
155.10709	6.1
157.08675	2.3
157.10025	1.7
159.11674	8.8
163.11198	5.8
165.12679	2.0
173.11777	12.9
175.11147	1.7
177.12770	4.6
181.12250	2.2
182.31514	1.6
191.10783	3.8
192.69186	1.3
193.12241	2.9
195.13821	20.2
199.13307	7.2
209.11682	4.8
211.13379	2.2
211.17964	1.4
213.14825	1.8
227.12828	6.0
229.14355	46.5
239.16466	2.6
257.13852	5.0
263.88007	1.5
267.15863	8.5
269.17487	68.5
283.15561	2.6
285.17197	1.9
301.16501	14.9
393.26297	2.5
411.27194	7.0
423.27457	38.3
459.27338	1.5
474.81808	1.5
477.28418	3.2
495.22302	3.3
495.29529	64.9
496.29800	1.8
513.30591	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
54.34856	1.4
55.01864	6.4
55.05515	38.2
57.03435	19.0
57.07072	2.7
59.04995	6.0
61.02933	7.8
65.03938	3.3
67.05511	100.0
69.03426	3.7
69.07071	18.5
69.34220	2.0
69.34633	9.6
71.01355	1.3
71.05011	6.3
73.02922	7.0
79.05069	2.4
79.05503	39.1
81.03426	13.4
81.07066	70.2
82.24174	1.6
83.04984	10.3
83.08630	21.3
85.02908	16.0
85.06539	6.8
87.04475	5.2
91.03947	2.8
91.05489	28.7
93.07046	39.4
95.04993	6.6
95.08620	22.4
97.02903	5.4
97.06528	10.0
97.10179	14.9
103.03970	1.8
105.07034	12.0
107.04958	3.9
107.08609	27.8
109.06523	2.1
109.10169	48.7
111.04435	2.3
111.08096	7.3
117.07024	7.1
119.08579	10.3
121.06493	3.1
121.10158	11.8
123.08114	1.8
123.11729	3.3
125.09650	11.1
125.66032	1.4
127.03903	1.8
129.05490	4.2
131.08582	8.1
133.10130	10.0
135.11729	9.2
137.09604	1.5
143.10616	1.8
145.10118	4.7
147.11688	4.7
149.09622	2.5
149.13248	10.9
153.12755	3.0
155.10689	6.0
159.11740	8.5
163.11215	6.5
165.12758	2.6
173.09555	1.2
173.11765	12.0
177.12753	3.2
181.12312	2.7
191.10690	3.3
193.12250	3.6
195.13850	15.0
199.13316	4.7
209.11766	6.7
211.13211	2.2
227.12727	6.5
229.14384	45.3
239.16446	4.3
267.16013	7.1
269.17502	50.6
283.15408	5.2
301.16483	14.4
323.18597	1.3
411.27225	4.6
423.27469	24.9
431.27823	1.5
474.39276	1.6
477.28540	1.6
495.29593	48.3
496.29697	2.8
513.30688	20.1
527.13116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01864	6.0
55.05268	2.4
55.05515	32.5
57.03435	18.3
57.07084	1.5
59.04990	3.9
61.02935	6.7
65.03938	2.2
67.05511	100.0
69.03419	3.8
69.07080	18.6
69.23260	13.3
71.01361	1.9
71.05003	10.0
72.76830	1.4
73.02914	4.6
79.05070	2.7
79.05504	42.6
79.59991	1.2
81.03439	11.2
81.07067	87.6
83.04990	10.4
83.08627	20.0
83.47762	1.2
85.02922	13.3
85.06553	6.3
87.04475	3.0
91.03947	2.2
91.05492	30.2
92.51688	1.4
93.07051	46.9
95.04958	5.7
95.08611	26.2
97.02895	8.0
97.06539	11.8
97.10189	11.7
99.08129	2.4
103.22868	1.3
105.04525	1.4
105.07054	15.4
107.04993	2.9
107.08607	31.5
109.06516	4.4
109.10171	44.0
111.04437	2.2
111.08096	6.9
117.07017	8.4
119.08575	9.0
121.06516	2.5
121.10159	14.1
123.08092	2.1
123.11752	7.8
125.09658	14.9
127.04005	2.0
129.05482	3.4
131.08562	9.8
133.06447	1.6
133.10149	19.5
135.08090	2.2
135.11713	9.1
137.09657	1.6
143.10635	2.0
145.10133	4.0
147.11731	4.3
149.09610	2.9
149.13271	17.3
151.11185	2.7
155.10722	5.4
157.10138	1.9
159.11751	8.6
163.11197	9.0
165.12817	2.0
173.11745	9.6
177.12706	6.9
181.12234	2.7
193.12195	3.3
195.12059	2.2
195.13808	18.3
199.13345	5.5
209.11758	4.3
211.13139	1.9
213.14853	3.1
227.12787	4.9
229.14352	41.3
259.39163	1.5
267.15985	6.5
269.17502	58.5
283.15405	3.5
301.16476	14.4
301.20038	3.7
334.70749	1.7
357.24390	2.1
393.26282	2.0
411.27301	5.1
423.27463	32.8
431.27930	1.6
433.35016	1.5
437.29193	15.0
451.30484	2.7
463.30682	32.3
477.28543	2.3
483.97107	1.6
495.28766	27.1
513.30597	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	692.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01863	0.4
58.52473	0.1
64.33355	0.1
65.03930	0.9
65.61073	0.1
66.04722	0.2
67.05499	0.4
75.04472	0.6
77.03947	0.4
78.04711	1.9
79.05492	1.6
81.03423	0.2
81.07060	0.2
85.02895	0.4
89.03924	0.5
89.06053	0.2
91.05480	3.9
93.03410	2.2
93.07056	2.1
95.04977	1.4
96.48045	0.1
97.06516	0.6
103.05470	2.7
104.77056	0.1
105.04520	0.3
105.07037	3.2
106.04174	5.8
107.04953	3.2
108.05740	0.3
109.06515	0.5
111.04441	0.1
115.05463	0.3
117.03373	0.3
117.07048	0.1
118.04156	1.0
119.04942	0.8
120.05697	0.3
121.06505	8.8
122.03631	0.2
122.07285	0.2
123.04421	4.2
123.08056	0.3
124.05228	1.5
125.05988	1.1
127.03944	0.2
131.04945	1.6
131.05923	0.2
132.05710	0.2
133.06494	3.1
134.03636	1.0
135.04436	1.1
135.08061	0.6
137.05971	1.7
138.06740	0.4
139.03923	0.3
139.07526	0.5
145.02844	0.5
146.03668	0.2
147.04378	0.2
148.05132	0.7
149.05983	12.4
150.06752	1.6
151.03929	0.9
151.07538	3.4
152.04684	1.3
152.08311	0.4
153.05478	0.3
153.09099	1.9
159.04460	0.5
161.05977	1.9
163.03928	1.7
163.07550	0.8
165.05482	0.4
165.09117	2.4
166.06242	1.1
167.07034	100.0
168.07549	1.1
174.06738	0.2
175.07524	0.3
177.05469	5.9
177.09132	0.6
178.06210	0.3
179.07028	1.5
179.10669	0.3
180.07811	0.2
181.08594	12.4
183.48325	0.1
191.07005	1.2
193.08606	12.4
194.09036	0.2
195.06517	0.6
195.10182	0.6
203.07014	0.2
205.08691	0.2
206.75949	0.1
207.06544	0.2
209.08089	14.2
210.08739	0.6
211.09653	53.1
212.10248	1.3
223.09596	0.8
246.52209	0.1
255.12283	0.7
266.84821	0.1
270.13397	0.1
371.14999	0.3
373.16504	0.4
389.15924	0.3
403.17401	0.2
422.19434	0.4
440.80457	0.2
488.85352	0.1
640.90991	0.2
692.32397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03932	0.9
55.01870	0.7
55.60274	0.2
56.34224	0.2
65.03937	0.7
65.70938	0.3
65.91139	0.3
66.04704	0.4
67.05496	0.5
75.04494	0.7
78.04717	2.1
79.05506	1.7
85.02892	0.5
86.24934	0.2
89.03922	0.6
91.05483	3.3
93.03393	1.9
93.07046	2.1
95.04982	1.1
97.06553	0.7
103.05468	3.1
105.04488	0.4
105.07037	3.1
106.04178	5.1
107.04962	3.1
109.06524	0.5
110.62511	0.3
117.03416	0.4
117.07021	0.4
118.04169	0.6
119.04955	0.7
120.05738	0.2
121.06510	8.1
123.04424	4.2
123.08073	0.5
124.05219	1.6
125.06010	1.3
131.04939	1.4
133.06497	3.1
134.03621	1.0
135.04410	1.0
135.08066	0.5
137.05981	1.8
138.06714	0.5
139.07529	0.4
145.02859	0.4
147.04436	0.4
148.05194	0.8
149.05983	13.5
150.06805	1.4
151.03886	0.8
151.07529	3.2
152.04680	0.9
152.08282	0.3
153.09111	1.7
159.04395	0.3
161.05972	1.7
163.03926	1.0
163.07541	0.9
165.09117	1.5
166.06238	1.1
167.07040	100.0
168.07388	1.3
177.05479	5.6
177.09074	0.7
178.47691	0.3
179.07033	1.4
179.10657	0.3
180.07915	0.5
181.08595	12.9
191.07082	1.6
193.08617	12.5
195.06522	0.7
195.10175	0.4
205.08525	0.4
209.08093	13.5
210.08739	0.4
211.09659	52.8
212.10263	1.1
223.09550	0.6
255.12300	0.3
276.89420	0.3
391.16989	0.3
411.20688	0.3
419.22345	0.3
493.22824	0.3
665.90662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51495	2.1
53.03951	13.1
55.01869	5.5
55.05519	33.4
57.03436	13.7
57.07078	5.1
63.93114	2.1
65.03928	4.1
67.05511	93.9
69.03430	18.6
69.07071	26.5
71.01333	2.5
71.04987	8.1
73.02920	2.8
77.03944	2.5
79.05502	65.4
81.03423	42.3
81.07065	100.0
83.04984	26.9
83.08621	16.1
85.02900	12.7
85.06540	4.0
91.03892	2.1
91.05485	49.5
93.06487	4.1
93.07051	66.8
95.04974	14.6
95.08624	55.6
96.56014	2.0
97.02879	10.6
97.06528	10.4
97.10169	4.2
99.04443	3.5
105.04574	2.6
105.07042	34.4
107.04923	5.2
107.08611	40.6
109.02888	6.2
109.06506	6.1
109.10163	23.5
111.04435	6.0
111.08064	5.3
115.05436	3.6
117.07016	13.7
119.08582	27.1
121.06501	3.9
121.10157	31.6
123.04324	2.5
123.08054	4.2
123.11716	13.0
125.00000	2.1
125.09665	2.2
127.03904	5.1
128.06229	2.3
129.05455	7.6
129.07021	10.7
131.08591	27.0
133.06491	3.6
133.10144	22.9
135.08038	4.7
135.11679	16.6
137.13245	3.6
137.86163	2.2
141.06969	2.8
142.07805	2.6
143.08557	6.7
145.06578	2.7
145.10187	17.3
147.08078	2.1
147.11678	22.0
149.09557	4.0
149.13286	17.3
155.08546	5.1
157.10132	9.1
159.11685	18.8
161.13261	7.9
163.11186	6.1
163.14798	2.1
165.12822	3.2
169.10117	4.3
171.11676	6.9
173.13289	8.4
175.11208	3.0
175.14825	3.5
177.12741	5.0
181.10129	3.3
183.11691	5.3
184.07304	4.7
185.13295	6.0
187.14838	2.4
193.10179	2.9
195.12198	2.2
195.13791	12.8
197.13313	2.3
199.14882	4.5
200.57831	2.2
201.16200	1.8
203.10666	2.3
211.14720	3.2
213.14723	2.4
227.12718	3.8
261.22064	6.2
267.15897	8.4
269.17441	23.1
277.21478	2.8
299.46033	2.3
301.21594	3.4
317.24777	2.4
319.22705	2.4
327.23080	2.5
335.25830	22.9
337.27255	3.2
339.17960	3.1
345.24191	3.7
369.24097	5.4
379.01620	2.4
387.25455	4.9
413.21704	3.3
443.27725	3.9
461.28839	2.7
479.30118	2.6
511.37531	2.7
519.36804	10.7
529.38910	40.3
530.39374	3.4
547.39948	2.5
616.66907	2.2
655.42078	3.5
673.43378	12.3
674.44025	2.6
691.44305	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	691.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	13.4
55.01864	5.5
55.05276	2.5
55.05514	35.0
57.03191	1.8
57.03431	13.6
57.07074	5.1
59.04953	2.9
60.40595	1.8
60.83831	1.6
61.02926	5.7
65.03934	5.6
67.05511	86.7
69.03435	29.3
69.07075	29.7
70.19718	1.8
71.01359	1.9
71.05004	10.0
71.51757	3.1
73.02925	3.2
73.90222	1.9
77.03905	2.2
79.05498	60.8
81.03423	65.9
81.07062	100.0
83.04982	26.7
83.08630	16.9
85.02911	12.0
85.06530	5.4
85.58129	2.1
86.09711	4.9
91.05492	54.0
93.06484	4.0
93.07050	65.5
93.07638	3.8
94.07377	2.6
95.04992	11.6
95.08616	58.0
97.02896	20.4
97.06519	9.5
97.10159	4.4
98.98444	4.0
99.04459	6.2
99.08086	3.9
101.02374	2.1
103.03909	2.2
105.04523	2.3
105.07037	42.1
107.04944	5.8
107.08598	35.1
108.08797	2.0
109.02871	7.5
109.06527	4.9
109.10162	22.4
111.04443	9.3
111.08100	5.3
115.05483	1.8
117.07028	22.0
119.07796	3.0
119.08591	32.0
121.06555	5.2
121.10151	23.0
123.04459	2.4
123.08086	3.7
123.11690	7.5
125.00024	2.2
127.03939	10.9
128.06230	3.0
129.05501	11.7
129.07010	11.9
131.04964	2.2
131.08586	27.2
133.06499	5.5
133.10133	21.0
135.08063	4.7
135.11703	17.4
137.09537	3.3
137.13287	2.5
141.06987	2.9
143.08577	12.6
143.43283	2.3
145.10124	17.5
147.08023	3.5
147.11694	21.1
149.09624	4.2
149.13286	15.3
151.11214	2.6
155.08539	6.4
157.10139	11.8
159.11682	16.1
161.09666	2.2
161.13249	7.0
163.11240	3.5
163.14807	2.4
165.12761	4.5
167.08646	2.5
169.10147	7.9
171.11665	7.5
173.04376	4.2
173.09656	3.8
173.13260	9.1
175.11201	3.5
175.14839	3.9
177.12737	4.9
181.10121	3.0
183.11659	6.9
184.07304	11.9
185.13297	4.6
187.14894	4.8
189.16454	2.0
195.11774	5.2
195.13829	8.0
197.13179	4.2
199.14874	4.1
201.16367	2.1
203.02542	2.1
209.13400	2.6
211.13187	2.8
213.16399	2.6
215.14447	3.1
221.13228	2.3
235.14781	2.7
243.21187	3.4
257.15082	2.5
259.20685	2.6
260.75983	2.2
261.22226	5.2
263.23837	2.5
267.15955	7.6
269.17499	12.7
277.21545	3.4
285.17004	2.8
297.22070	2.4
301.21579	3.7
315.23007	2.7
333.24371	2.2
335.25861	21.5
337.27408	8.2
339.17947	2.7
349.24231	2.3
369.24161	4.4
411.20117	3.4
413.21649	4.7
437.34036	4.8
455.35309	4.7
461.29205	2.7
473.35492	2.7
511.38242	3.5
527.36700	4.9
529.38861	74.8
530.39337	3.1
547.39813	8.7
637.40717	3.7
655.41742	5.5
673.42841	11.4
691.44067	32.0
718.74640	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	691.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.0
55.01861	9.4
55.05511	28.9
57.03432	15.8
57.07056	2.4
61.02922	5.3
65.03927	4.5
67.05507	82.6
69.03429	26.2
69.07066	26.1
71.01326	3.3
71.04996	10.6
73.02896	6.6
74.42302	2.1
79.05495	57.8
81.03423	62.9
81.07059	100.0
82.07372	2.9
83.04982	21.5
83.08618	16.7
85.02910	11.5
85.06534	5.6
91.05489	51.7
93.06489	3.3
93.07050	62.8
95.04974	12.8
95.08612	52.9
97.02898	21.7
97.06540	11.5
97.10154	4.9
99.04449	6.2
103.05500	2.3
105.07030	42.4
106.07401	2.3
107.04939	4.2
107.08602	36.2
109.02850	10.6
109.06509	8.0
109.10159	19.1
111.04435	6.9
111.08086	5.0
115.05479	4.6
117.07032	24.7
119.08566	33.9
121.06491	3.3
121.10149	25.4
123.04411	3.0
123.08070	5.1
123.11705	12.4
125.09615	3.6
127.03934	11.7
128.06197	4.3
129.05476	8.3
129.07001	9.7
131.08568	32.0
133.10144	23.9
135.08057	5.7
135.11717	14.1
137.09621	3.0
141.06952	3.2
142.07722	3.6
143.08537	16.1
145.06453	3.6
145.10121	17.1
145.72470	2.5
147.08025	4.8
147.11685	21.4
149.09595	5.0
149.13254	12.5
155.08574	7.6
157.06512	3.0
157.10086	10.7
159.08076	2.6
159.11682	16.0
161.09636	2.1
161.13264	7.9
163.11137	3.3
163.14807	2.8
165.12762	3.9
167.08521	3.0
169.10092	6.9
171.08055	2.5
171.11684	9.2
173.04428	7.5
173.13274	8.4
175.11153	3.7
175.14815	4.3
177.12761	6.1
181.10094	4.6
183.11678	4.2
185.13271	6.4
187.14813	4.8
189.12694	2.9
195.11832	4.4
195.13808	9.0
197.13170	3.9
199.14864	3.9
209.05141	2.0
211.14851	3.1
213.16414	3.3
215.14290	2.4
223.14980	2.7
235.13347	2.8
257.15335	2.1
261.22192	5.2
267.15945	6.2
269.17532	14.0
275.20026	2.6
285.22144	2.3
291.23303	2.4
303.23041	2.7
325.02319	2.3
335.25909	14.6
337.27313	5.3
339.17950	2.4
345.24319	2.7
369.24103	8.6
377.78113	2.4
387.25049	3.4
405.26413	2.4
413.21811	5.3
437.34183	6.2
455.34982	5.0
473.36447	3.5
479.29773	4.4
502.49249	2.2
503.36963	5.9
527.36823	3.6
529.39075	53.8
530.39044	3.6
547.39624	5.9
563.37195	2.3
637.40912	2.8
655.41876	4.9
673.43097	10.5
691.44177	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	691.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
54.76202	0.4
55.05516	2.3
57.03439	0.7
57.07082	4.2
64.12371	0.4
65.43668	0.4
67.05515	5.6
69.07066	2.2
71.08643	2.3
77.37503	0.5
78.01376	0.4
79.05505	6.2
81.07056	5.2
83.04981	0.9
83.08637	1.6
84.08141	0.9
85.10187	1.5
91.05495	4.4
93.07043	4.7
95.04980	1.4
95.08620	5.1
97.10184	0.7
98.98457	1.0
105.07029	3.2
107.08602	1.9
109.10176	1.9
114.26836	0.5
117.07035	1.3
119.08592	2.8
121.10172	0.9
123.11785	0.5
129.07030	1.5
130.08670	1.0
131.08591	1.0
133.10153	1.7
143.08554	0.9
145.10147	1.9
147.11681	2.5
155.01094	0.6
155.08609	0.5
157.10130	0.6
159.11746	1.1
161.13272	1.6
171.11726	1.9
173.13280	0.8
183.11847	0.5
184.07378	0.6
189.12854	0.9
197.10728	0.6
207.13918	1.8
209.10835	0.5
210.11601	1.1
211.08684	0.5
221.10748	0.9
223.08847	0.6
223.12346	1.3
224.13139	0.6
225.10321	1.0
225.13863	2.4
226.14551	0.9
237.13889	1.7
238.14661	0.7
239.15462	0.7
239.23830	0.5
241.19637	0.8
249.13899	0.9
251.08237	1.8
257.19064	0.9
259.20618	1.9
275.15372	0.6
314.13058	0.8
315.23248	0.5
335.25925	0.8
337.27521	0.7
340.14542	0.6
387.17853	0.5
389.17960	0.6
402.15176	0.5
403.15237	0.9
405.21030	0.8
412.16714	0.6
417.16965	2.9
418.17676	2.2
419.22861	0.9
431.18774	2.4
432.19489	2.8
433.20206	4.0
445.16537	1.6
447.21951	10.0
448.22458	1.3
455.18509	0.6
460.18851	1.0
461.19205	1.1
474.20581	1.0
475.21326	24.5
476.21783	4.6
487.21869	0.6
489.22906	1.5
503.20450	3.6
504.21445	0.6
507.23965	0.9
519.24091	1.0
519.40515	17.3
520.40906	0.5
521.21155	0.6
534.26190	0.9
535.23444	16.1
536.23718	0.7
547.23553	2.3
549.25098	2.1
551.26648	0.6
562.25781	5.0
563.27026	3.4
590.25354	3.4
593.45636	3.1
607.25165	0.6
622.27893	100.0
623.28070	4.6
691.34167	3.8
691.44427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.03445	0.6
64.13533	0.3
67.05504	2.1
69.03422	0.4
69.07066	0.7
70.17902	1.4
79.05496	1.3
81.03413	1.5
81.07057	2.0
83.04985	0.6
83.08639	0.7
91.05479	1.3
93.07059	1.2
95.04980	0.8
95.08624	0.6
97.06574	0.5
97.10205	0.5
105.07040	1.4
105.29474	0.3
107.04961	0.4
107.08624	1.0
109.10136	0.9
117.07036	0.4
119.08584	0.9
121.06538	0.3
121.10159	0.8
124.04852	0.3
131.08585	0.6
133.10132	0.7
135.11687	0.4
139.03880	0.4
145.10004	0.4
147.11699	0.6
149.02400	0.4
157.10121	0.4
161.32147	0.4
193.12286	0.7
211.13232	0.7
219.52113	0.3
267.16019	0.8
285.17084	1.0
295.11356	0.4
400.15549	1.4
413.16452	0.6
414.17218	0.5
415.13483	0.5
421.18976	0.5
427.18143	0.8
428.14679	0.8
429.15845	1.1
430.16589	2.6
431.17429	1.0
441.19653	0.7
442.16495	1.3
443.17093	2.5
444.18048	1.3
455.17816	0.9
456.13815	0.9
457.19269	3.3
458.19916	1.7
459.20212	1.4
459.26486	0.4
461.87335	0.4
467.17508	1.0
469.19492	0.5
470.11749	1.6
471.20956	0.7
473.18790	0.5
481.19589	0.5
483.13223	1.5
484.13416	4.4
485.14236	1.1
485.19388	0.6
486.11707	0.5
487.19580	0.8
494.16229	0.5
494.28528	0.6
495.29742	0.8
497.14929	2.8
497.19882	0.5
498.15405	3.4
499.15979	2.9
511.15985	2.6
512.16901	4.9
513.17786	8.9
514.18689	3.6
522.19196	0.4
523.16101	3.3
525.17712	2.7
526.18640	1.2
527.19421	2.6
529.17010	0.7
535.16248	0.4
539.15887	1.1
544.20068	0.7
545.23846	1.2
555.19513	1.2
569.21252	0.5
571.18695	1.0
573.23804	2.1
585.19904	0.6
599.21442	1.2
600.22321	3.2
601.22986	8.8
602.21185	1.3
614.24329	0.6
615.24817	0.4
617.23218	0.7
632.24597	1.2
659.23535	1.2
660.24371	0.9
673.24719	0.5
676.24207	1.0
691.26141	100.0
692.26447	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	690.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01875	1.7
55.05520	17.8
55.74730	0.9
57.03437	11.1
57.07082	5.1
59.05003	4.1
59.41582	0.8
61.02920	3.9
65.03939	2.3
67.05511	74.2
68.05814	1.3
69.03415	3.7
69.07075	19.5
71.04993	2.4
71.08617	2.4
79.05501	9.5
81.03431	6.7
81.07063	25.2
82.03784	1.4
82.07339	1.2
83.04966	3.1
83.08626	19.0
85.02918	5.0
85.06533	2.6
85.10178	1.5
91.03938	1.2
91.05482	9.6
92.05818	1.3
93.07050	12.7
93.22258	0.8
94.07387	1.0
95.04978	3.9
95.08615	19.8
97.02883	2.3
97.06531	3.3
97.09705	0.8
97.10178	7.7
105.07010	4.0
106.07351	1.6
107.08586	7.2
108.08909	1.0
109.02890	1.1
109.10165	58.7
111.04450	1.3
111.08095	3.6
111.11724	1.3
117.07040	2.1
119.08596	7.3
120.08890	1.2
121.10151	7.9
123.08052	0.9
123.11691	1.8
125.09682	1.6
129.06946	1.5
131.08571	1.7
133.10075	1.8
134.38815	1.0
135.11728	4.0
136.11868	0.9
137.09631	2.4
147.11696	2.2
149.13255	2.0
153.12781	0.9
155.10675	7.3
159.11749	1.2
161.13104	0.9
163.14798	1.3
173.11739	17.1
184.07338	4.6
193.12299	2.4
194.12669	1.6
211.13329	3.5
212.13855	1.1
229.14360	100.0
230.14690	1.2
265.25296	1.8
292.21936	1.0
339.28967	71.1
340.29156	1.4
388.25922	1.0
493.38910	58.5
494.39243	2.3
511.89102	0.8
558.70923	1.1
672.41595	1.7
690.42865	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	690.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04773	0.8
53.03935	2.6
55.01870	2.2
55.05515	8.8
57.03244	0.7
57.03445	6.5
61.02937	0.9
64.81638	0.7
65.03932	1.0
67.05507	17.5
67.34621	0.7
69.03432	2.4
69.07070	6.4
70.62128	1.5
71.04996	2.8
73.02926	1.3
79.05498	21.9
81.03421	24.2
81.07063	20.5
83.04981	7.3
83.08627	12.9
85.02911	10.7
85.06545	1.3
87.04474	0.9
91.05493	17.6
93.07048	26.0
95.04977	15.8
95.08614	24.6
96.72332	0.8
97.02857	3.7
97.06544	3.6
97.10174	1.7
99.04453	3.2
99.08098	0.8
105.04567	0.7
105.07031	12.4
107.04964	7.7
107.08599	22.3
109.06528	4.4
109.10170	3.6
111.04458	2.6
111.08079	4.7
112.30489	0.6
113.06020	2.3
117.07021	5.5
119.08585	14.2
121.06529	3.4
121.10155	11.8
123.08060	1.1
123.11710	0.7
125.06023	2.3
125.09691	1.0
127.07570	0.7
129.07004	5.1
130.07770	1.0
131.08557	4.1
133.06445	0.7
133.10132	7.8
135.08078	2.6
135.11700	32.5
135.12732	1.6
137.09599	0.8
139.07538	1.0
139.79677	0.8
142.07831	1.3
145.10135	19.4
147.08076	0.7
147.11711	5.9
149.09618	3.0
151.11197	2.5
153.12764	0.8
157.10152	6.2
163.11192	41.4
164.11554	0.8
165.12787	2.0
175.11182	6.3
181.12244	6.9
193.12263	18.1
209.11740	1.8
211.13295	20.0
211.15286	1.1
227.12788	50.1
256.17566	0.7
267.15933	22.5
283.15408	43.1
285.16977	33.4
286.17267	0.9
475.26974	23.9
476.27539	0.9
493.28009	100.0
494.28415	3.7
540.02551	0.8
586.28351	0.9
642.43799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26026	1.0
53.03944	3.0
55.01879	3.4
55.05508	12.3
57.03440	11.6
65.03946	1.5
67.05508	23.4
69.03433	2.9
69.07067	5.9
70.63470	2.7
71.04996	3.9
73.02933	2.0
78.71816	1.0
79.05502	30.8
81.03426	33.7
81.07063	26.6
83.04984	9.9
83.08630	18.9
85.02914	14.6
85.06551	1.6
91.05490	22.3
93.07053	35.8
93.07640	1.9
95.04974	20.8
95.08614	32.3
97.02890	5.5
97.06549	5.4
97.10178	2.7
99.04481	2.8
103.05510	1.1
105.07034	17.4
107.04974	9.2
107.08601	23.7
109.06524	3.7
109.10168	2.9
111.04462	3.3
111.08084	6.3
113.06020	2.6
115.05513	1.3
117.07018	8.0
119.08591	18.9
119.09383	1.8
121.06508	3.7
121.10156	14.1
123.08131	1.9
123.11718	1.1
125.06019	2.6
125.09635	1.5
127.12846	0.8
129.07016	6.8
130.07820	1.4
131.08588	6.4
131.09372	1.0
133.06497	2.0
133.10130	8.1
135.08109	1.9
135.11707	44.3
136.12015	0.9
139.07552	2.1
142.07774	1.2
145.10133	27.2
147.08051	1.8
147.11708	10.1
149.09636	3.1
157.10158	8.2
163.11195	56.7
165.12814	1.6
175.11168	9.8
181.12234	10.7
193.12256	27.6
194.80203	1.0
209.11784	1.8
211.13315	36.8
212.13422	1.0
227.12798	70.6
228.13344	1.2
234.71046	1.1
267.15927	27.9
283.15411	63.5
285.16986	55.5
285.20206	1.8
465.46820	1.0
475.26993	31.5
476.27219	1.0
493.28000	100.0
494.28223	4.0
665.41205	1.1
690.31830	1.8
709.98120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54545	1.2
55.05511	7.5
56.32222	1.0
70.06583	1.8
71.05006	8.0
79.05495	2.3
81.07044	3.9
82.06590	1.2
83.08633	1.9
85.02905	10.2
91.05495	1.3
95.04952	1.2
95.08634	1.2
100.11261	2.5
105.07011	1.4
111.04494	1.4
121.06528	1.2
123.04434	49.1
123.08059	1.3
125.87621	1.2
129.05489	2.0
131.04971	1.1
137.05995	2.7
139.03877	5.3
151.03889	2.0
151.07526	1.3
153.05498	1.4
161.05984	1.8
163.03917	3.2
163.07472	1.9
165.01823	12.1
165.05492	1.9
167.06995	1.7
170.10509	1.3
179.03448	1.9
179.11070	1.6
181.05017	1.9
183.02907	4.7
189.09094	2.4
207.10143	4.3
209.16479	1.9
220.15012	3.2
229.08383	2.0
229.15508	7.7
233.08060	12.5
243.06468	1.5
249.07666	4.8
249.14616	1.7
271.05969	4.8
279.19949	1.7
287.71243	1.5
299.05585	2.9
311.12845	2.7
317.06726	6.1
324.22815	2.5
329.13794	3.4
333.23633	5.8
333.73618	2.8
339.12131	9.0
342.23907	17.1
342.74060	3.0
351.24417	100.0
351.74509	24.6
357.13345	2.1
358.19650	2.0
359.14905	4.5
367.11740	11.2
371.14871	2.7
385.12842	52.8
386.12918	1.4
457.30316	1.7
475.31509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	2.1
53.03949	13.1
55.01857	6.7
55.05514	30.1
57.03439	9.2
57.07072	4.7
61.02916	13.3
65.03935	6.0
67.05508	58.3
69.03439	22.2
69.07066	21.7
71.05000	10.3
73.02930	9.0
79.05498	45.4
80.53416	1.6
81.03422	53.0
81.07063	76.5
83.04987	18.2
83.08633	13.0
85.02895	15.9
85.06523	5.7
91.03937	5.6
91.05488	54.5
93.06479	3.5
93.07049	50.6
95.04966	11.5
95.08066	2.6
95.08614	36.4
97.02907	27.2
97.06535	8.6
97.10133	4.8
99.04444	7.2
99.08073	2.6
101.02415	2.3
103.05366	2.0
104.06293	1.9
105.07035	49.0
107.04928	5.1
107.08598	28.7
109.02880	9.7
109.06499	4.6
109.10146	13.4
111.04420	4.9
111.08065	4.8
115.05445	3.3
117.07027	22.2
119.08595	33.9
121.06487	4.5
121.10160	19.6
123.08101	3.3
123.11713	8.3
127.03904	12.0
128.06209	6.5
129.05463	6.6
129.07014	16.8
131.08568	36.4
133.10144	21.5
135.08089	2.0
135.11697	12.1
141.06978	7.9
142.07764	6.1
143.08572	22.0
145.06453	3.2
145.10141	30.7
147.08029	3.8
147.11705	25.3
149.09534	3.3
149.13293	8.5
154.07744	2.0
155.08571	12.9
156.09308	2.6
157.10147	19.5
159.08118	2.3
159.11679	19.0
161.09636	4.0
161.13269	11.5
163.11171	2.8
165.06908	2.1
165.12746	5.4
167.08511	7.1
169.10124	19.1
171.08037	3.0
171.11676	20.7
173.04494	10.6
173.09607	2.8
173.11951	2.1
173.13290	15.2
175.11192	4.1
175.14842	3.0
175.22729	1.7
177.12750	3.9
177.21046	1.7
179.08527	2.5
181.10092	8.7
183.11678	15.8
185.09795	2.3
185.13203	9.2
187.14807	5.0
193.10153	2.9
193.12190	2.9
195.11679	9.7
195.13560	3.5
197.13309	12.1
199.14772	4.9
201.16173	1.9
207.11697	3.4
209.13222	4.9
210.13785	2.3
211.14847	5.0
213.16438	4.1
221.13266	4.5
223.14877	5.6
225.16347	2.3
231.20999	2.9
235.14885	3.6
241.19525	6.9
252.17746	2.3
259.20554	9.0
261.22125	5.0
267.15900	7.0
267.21667	2.1
269.17477	8.1
275.19836	2.3
283.20618	2.9
285.16995	3.6
301.21567	4.1
309.22092	2.5
315.23312	2.9
333.24356	8.6
335.25812	6.3
339.18030	3.2
341.24921	2.3
351.23215	5.0
367.22531	5.0
369.24222	3.5
407.33643	2.0
413.21539	3.9
417.31445	4.7
435.32651	14.6
453.33798	9.6
471.34238	2.2
501.36069	2.1
509.36035	6.4
525.35052	4.8
527.37329	100.0
528.37567	5.4
539.37091	2.5
543.35889	2.2
545.38336	7.3
551.37720	3.0
569.38098	2.8
611.38806	2.4
619.61096	2.0
635.39172	4.8
639.23926	2.9
653.40363	12.1
671.41425	14.1
689.42584	41.2
690.42444	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
53.33290	2.9
55.01870	5.1
55.05518	19.5
57.03435	10.6
57.07063	3.4
61.02934	13.4
65.03941	5.7
67.05176	4.7
67.05505	55.9
69.03427	25.3
69.06714	3.7
69.07072	25.0
71.01363	3.0
71.04989	7.5
73.02908	5.7
78.23637	2.7
79.05498	43.9
81.03423	52.5
81.07059	55.2
83.05002	13.9
83.08623	10.4
85.02912	14.9
85.06560	4.1
86.03240	2.3
86.09719	8.0
89.31408	2.4
90.80068	2.8
91.05484	39.4
93.07047	45.9
95.04975	10.4
95.08621	35.4
96.63031	3.0
97.02879	21.1
97.06518	6.6
97.10164	4.2
99.04471	4.5
105.07043	47.1
107.04956	3.7
107.08586	24.3
109.02889	9.4
109.10150	14.3
109.57820	2.5
111.08105	3.0
112.66448	3.0
115.05470	2.8
117.07028	20.4
119.08588	30.1
121.06536	4.7
121.10131	13.7
123.08074	5.3
123.11697	4.2
125.00007	5.4
125.09589	5.3
125.87903	2.8
127.03940	9.5
128.06258	7.6
129.05499	8.5
129.07004	20.5
131.08588	27.5
133.10141	18.5
135.11688	7.5
141.06992	4.2
143.08569	27.2
145.10133	25.2
147.11676	19.7
149.13263	5.7
155.08531	13.9
157.10121	17.2
159.11723	16.8
161.13228	7.1
165.12817	4.2
167.08562	6.0
169.10124	12.0
171.11670	17.6
173.04478	11.7
173.13310	9.4
175.14912	3.5
181.10144	9.9
183.11696	14.6
184.07361	21.3
185.13274	11.7
195.11745	8.8
197.13271	7.8
199.06076	3.0
199.14894	6.7
209.13284	6.0
211.14862	6.4
223.14709	3.9
243.21088	3.5
259.20615	5.7
261.22205	3.9
301.21527	4.5
317.24854	2.9
333.24197	4.8
335.25903	5.7
360.26358	2.7
426.56516	3.0
435.32648	12.1
453.33569	6.7
454.48004	2.8
471.34442	6.2
509.36456	3.3
517.38721	3.9
527.37329	100.0
528.37897	3.5
529.39087	7.3
537.34796	2.5
545.38452	10.4
635.38617	5.0
653.40179	4.0
671.41467	13.1
689.42719	46.4
690.42651	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	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.4
53.03952	14.4
55.01869	5.6
55.05511	29.4
57.03434	11.9
57.07066	2.7
61.02933	12.0
67.05505	67.5
69.03432	28.7
69.07076	24.3
71.04995	10.2
73.02914	7.1
79.05497	48.8
79.05917	4.1
81.02935	2.7
81.03421	61.9
81.07059	68.5
81.96618	2.3
83.04978	16.8
83.08638	13.5
85.02926	11.2
85.06544	5.6
87.04472	2.3
91.03972	5.5
91.05485	53.4
93.07050	46.1
95.04961	10.8
95.08615	38.1
97.02900	27.6
97.06548	7.8
97.10184	4.7
99.04463	6.4
103.05538	3.2
105.07036	41.2
107.04971	5.2
107.08606	27.4
109.02885	8.9
109.06533	7.5
109.10151	13.7
111.08119	2.9
112.63088	2.2
115.05454	3.6
117.07020	22.1
119.08589	36.4
121.06530	4.4
121.10177	20.7
123.08102	4.2
123.11715	5.8
125.09620	3.3
127.03939	10.6
127.70466	2.4
128.06256	6.1
129.05475	10.3
129.07007	22.6
131.08560	35.7
133.10149	21.0
135.11697	14.3
137.09679	2.5
141.07005	7.5
143.08563	20.9
145.10123	26.5
147.08052	4.4
147.11687	22.7
149.13239	10.0
155.08554	14.5
157.10138	21.2
159.08099	2.8
159.11719	24.3
161.09641	3.3
161.13283	9.1
163.11157	3.1
165.12802	7.0
167.08571	8.2
169.10158	14.5
171.08118	3.3
171.11673	13.8
173.04492	18.1
173.13252	12.2
175.11110	3.0
175.14728	3.7
177.12724	3.9
179.08624	3.9
181.10091	11.0
183.11687	13.4
185.13206	14.2
187.14848	6.1
189.12704	4.2
193.10136	5.8
195.11772	8.0
195.13867	5.3
197.13280	9.4
199.14845	8.9
207.11702	3.5
209.13277	5.3
211.14853	6.1
213.12814	3.7
221.13295	4.0
223.14845	4.3
225.16327	3.4
229.19560	2.7
237.16370	2.7
241.19627	5.3
251.18018	2.8
259.20609	8.7
261.22241	4.3
267.15811	12.2
269.17407	4.6
271.20605	2.9
281.19080	2.1
283.20551	3.7
301.21582	2.8
309.22162	2.8
311.19943	2.5
323.23752	3.5
333.24173	4.1
335.25955	5.7
339.23285	3.1
413.21793	4.2
417.31305	6.3
435.32724	15.6
453.33582	5.0
469.32156	2.4
471.34860	5.7
509.36081	9.2
515.36462	2.7
518.89209	2.4
525.34833	3.7
527.37360	100.0
528.37830	5.5
529.38672	3.0
538.14722	2.7
545.38184	8.0
569.38342	4.1
635.39307	7.6
653.40674	8.0
671.41528	13.0
689.42554	48.7
690.42578	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.6
52.22703	2.3
53.03950	12.3
55.01863	5.9
55.05514	26.1
57.03443	14.7
57.07079	3.6
61.02926	10.5
65.03925	2.5
67.05183	3.9
67.05507	58.0
69.03437	26.3
69.07068	19.9
71.01340	2.1
71.05000	11.1
73.02900	6.7
79.05070	3.7
79.05495	54.7
81.03422	61.0
81.06602	4.2
81.07062	81.5
82.84367	2.2
83.04978	16.5
83.08628	13.9
85.02910	18.7
85.06535	5.4
85.16880	2.7
91.03961	3.3
91.05484	52.7
93.06484	3.5
93.07045	52.2
95.04955	9.2
95.08057	3.7
95.08612	45.5
96.16783	2.2
97.02377	2.8
97.02900	27.9
97.06535	6.1
97.10156	4.7
99.04443	7.4
105.04475	3.4
105.07034	47.8
105.25175	2.0
107.04965	4.0
107.08607	29.0
109.02860	6.5
109.06500	5.8
109.10149	12.5
111.08075	4.7
114.96811	2.4
115.05444	5.8
117.07028	28.2
119.08566	29.4
121.06503	2.4
121.10133	18.1
123.08086	3.3
123.11680	7.2
125.09688	3.3
127.03933	13.2
128.06242	6.1
129.05495	4.8
129.06996	22.2
131.08582	34.1
133.06412	2.6
133.10138	25.9
135.08058	2.6
135.11687	16.4
137.09633	3.1
141.06976	9.5
142.07751	3.6
143.08568	24.7
145.06429	3.0
145.10120	30.8
147.08081	2.5
147.11703	24.8
149.09639	6.0
149.13246	10.6
155.08569	17.6
156.55698	2.3
157.10143	21.2
159.11713	20.8
161.13261	11.4
163.14868	3.1
165.12737	6.8
167.08522	5.5
168.09311	2.3
169.10147	12.5
171.11736	19.1
173.04468	12.6
173.09593	2.5
173.11986	2.5
173.13266	13.7
175.14848	3.9
177.12756	2.8
181.10118	6.3
183.11755	12.0
185.13249	14.1
187.11162	2.7
187.14827	6.9
193.10139	4.5
195.11679	7.3
195.13863	2.9
197.13268	12.3
199.11398	2.6
199.14847	8.2
201.16350	3.0
205.10036	2.8
207.11729	3.2
209.13275	6.2
211.14853	3.0
219.11609	2.9
221.13290	3.8
223.14816	4.4
225.13040	2.7
225.16449	2.4
229.02866	2.9
237.16553	3.3
239.14200	3.0
241.19566	4.5
259.20575	11.8
261.22046	5.4
267.15900	12.6
269.17404	6.5
271.20615	2.9
275.20181	3.7
285.16916	3.2
301.21548	3.4
311.23450	3.6
313.21658	3.1
315.23032	3.0
333.24454	3.9
335.25775	6.0
349.21530	3.2
351.22974	3.6
367.22406	2.8
369.24011	2.9
413.21829	3.2
417.31210	3.9
435.32816	14.7
453.33539	6.2
471.34576	3.7
509.35992	8.6
517.38983	3.4
525.35382	4.6
527.37360	100.0
528.37701	6.7
543.35950	3.2
545.38654	10.8
569.38831	2.5
593.38959	2.8
597.38251	2.8
632.20795	2.4
635.38721	7.1
643.18030	2.5
653.40149	8.6
671.41370	14.7
689.42468	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.3
53.03950	7.4
54.49209	2.4
54.61496	2.4
55.01872	6.8
55.05517	30.9
55.86657	2.4
57.03447	11.3
57.06619	2.2
57.07074	6.6
65.03925	3.1
67.05509	66.4
69.03432	8.0
69.07074	27.7
71.04996	4.3
71.05959	3.9
71.08615	4.0
79.05492	38.8
81.03416	18.0
81.06006	2.7
81.07063	60.9
82.07340	2.5
83.04969	7.8
83.08607	18.9
85.02901	4.9
85.06563	2.7
87.04497	2.9
89.06037	2.2
91.05483	37.8
93.07050	43.9
95.01469	2.1
95.04969	7.3
95.08618	38.2
97.02910	7.3
97.06537	6.7
97.10178	6.1
98.98479	43.0
99.08116	3.9
105.07034	31.5
107.04974	4.9
107.08595	21.5
109.02938	2.9
109.10168	20.7
111.08107	2.9
115.05451	3.2
117.07031	16.0
119.08582	24.1
121.06502	2.8
121.10163	17.1
123.08060	3.0
123.11702	4.8
125.09659	3.3
127.03922	3.1
128.06230	5.4
129.07022	18.3
131.08557	23.1
133.10133	21.3
135.11705	12.0
137.09558	2.2
141.07014	6.9
142.07788	4.5
143.08583	22.5
145.10138	21.2
147.11728	12.8
149.13263	6.0
151.11139	2.6
153.12750	2.3
154.07820	3.8
155.01086	4.5
155.08565	23.3
156.09407	2.5
157.10144	20.6
159.11688	12.4
161.13289	5.7
163.11176	2.3
165.07014	3.6
165.12802	2.8
167.08557	11.8
168.09334	4.9
169.10141	25.6
171.11688	16.2
173.02089	2.9
173.09627	2.5
173.13246	6.2
175.14940	4.5
177.12885	2.7
179.08563	5.4
179.14340	16.8
180.09462	3.1
181.10114	19.6
182.10992	4.5
183.11723	27.3
185.13286	10.9
187.14856	5.1
193.10136	6.8
194.10939	4.4
195.11749	17.1
195.13409	3.2
197.09787	2.6
197.13281	20.7
199.14833	9.8
201.16536	3.0
205.10172	4.0
207.11745	9.0
209.13278	14.0
211.14815	11.6
213.16389	3.7
215.52675	2.1
219.11826	2.7
221.13290	9.3
223.14886	12.0
225.16457	7.5
227.17989	3.2
229.14401	4.0
230.14909	2.8
233.13135	2.7
235.14888	5.5
237.16449	4.6
239.18109	6.7
241.19688	3.0
251.17976	3.9
253.19489	4.7
259.20581	3.7
263.18231	2.3
265.19458	4.2
277.21719	9.3
279.20941	5.4
291.19687	2.7
319.61859	2.3
363.27115	2.3
393.27640	2.8
395.20697	2.9
407.29184	2.9
409.30942	3.5
424.82565	2.7
435.32907	3.0
449.34302	3.2
492.37604	5.7
517.40222	17.3
523.37024	2.3
527.37292	8.8
535.41913	12.9
566.16577	2.5
573.42993	7.2
591.44067	90.0
592.44690	4.0
609.44958	8.4
671.40967	7.0
689.41876	100.0
690.42438	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	689.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.45936	0.4
55.05512	2.0
57.03433	1.6
61.02927	3.9
64.35857	0.4
67.05235	0.4
67.05508	4.8
67.13393	0.4
69.03429	3.1
69.07065	1.2
69.96013	0.4
71.04979	0.5
72.98626	0.5
73.02923	2.7
75.95168	0.4
78.37444	0.4
79.05492	7.5
81.03423	3.0
81.07059	4.6
83.04973	1.3
83.08611	0.8
85.02900	3.2
91.03966	2.2
91.05489	5.7
93.07043	5.6
95.04981	2.4
95.08613	3.0
97.02887	3.6
97.06535	0.8
99.04456	0.9
99.08072	0.5
101.02393	1.3
103.72244	0.4
105.07041	4.3
107.04974	0.8
107.08593	1.8
109.02872	0.7
109.06543	0.8
109.10165	0.7
111.08121	0.4
117.07004	0.6
119.08562	2.4
121.10186	1.1
123.08067	0.4
127.03909	1.0
129.07022	1.8
131.08600	0.8
133.10133	1.8
135.11729	0.5
143.08582	1.4
145.10141	0.9
147.07993	0.8
147.11665	3.2
159.11700	0.6
161.13164	0.9
161.40939	0.4
163.11171	0.6
171.11699	2.4
185.98349	0.4
203.05342	0.6
207.13751	0.7
221.76862	0.4
230.66986	0.5
243.08453	1.3
247.13104	1.8
281.17532	0.5
303.15723	0.9
465.20969	14.4
481.19958	0.6
606.40039	0.4
689.35052	100.0
690.35455	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	689.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05515	10.8
57.07069	4.2
58.81788	1.2
64.12987	1.3
67.05513	11.5
69.07067	9.7
71.08630	3.1
71.51369	2.0
79.05499	10.1
81.03407	1.9
81.07066	13.9
83.04991	4.2
83.08632	7.3
89.06033	2.2
91.05491	8.2
93.07027	6.4
95.04975	3.0
95.08093	1.7
95.08629	9.7
95.19487	1.2
97.06518	1.7
97.10177	4.8
105.07043	6.1
107.08595	3.2
109.10153	2.6
111.11706	2.1
116.07161	1.9
119.08592	4.1
120.37743	1.2
121.10176	2.3
129.06950	1.8
133.10176	2.5
135.11754	1.4
145.10127	1.6
147.11688	2.8
154.81363	1.3
171.11710	1.5
207.13898	2.5
237.22154	2.8
248.16908	1.5
311.25906	1.7
403.19443	2.3
415.19559	1.9
417.21036	3.1
429.16678	2.7
430.17593	1.7
431.18417	4.0
434.33755	1.3
442.17551	2.8
444.19687	2.5
445.20020	6.3
446.21368	3.4
455.18747	1.6
456.19403	2.5
457.20700	3.8
458.20963	2.2
459.22382	1.7
470.21002	1.5
471.22235	2.3
473.19653	3.3
474.20502	2.8
475.21875	2.1
481.20032	2.4
499.21890	1.9
505.21948	1.7
513.23126	1.4
515.28357	3.2
517.38934	44.9
533.25354	2.3
561.24603	3.2
592.26697	9.8
601.31952	5.0
620.25946	14.5
621.26721	2.1
629.31201	5.0
633.27350	1.6
661.33862	8.2
689.33362	100.0
690.33734	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	689.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.06583	0.5
57.07074	0.4
62.83369	0.4
67.05511	1.2
68.79421	0.4
69.07085	0.9
72.47002	0.5
73.48252	0.6
76.02464	0.5
79.05511	0.8
80.04989	0.5
81.07056	0.9
85.07631	0.6
89.06065	0.7
91.27407	0.4
93.07066	0.9
95.08610	0.6
103.97718	0.5
108.08089	0.6
109.10103	0.7
131.08575	0.8
138.29329	0.5
196.09966	0.7
209.10846	0.5
210.11584	0.6
221.10738	0.8
223.12250	0.8
228.31290	0.5
239.11928	1.2
251.12001	0.9
265.13483	0.6
271.12036	0.6
275.11902	0.7
317.16614	0.6
389.17966	0.6
402.18396	0.8
403.19409	1.5
413.17856	0.9
415.19647	0.8
416.20532	0.6
417.17020	1.7
417.21368	1.3
419.22598	1.7
427.19751	1.1
428.20135	1.0
429.21112	1.7
430.17929	0.9
431.18332	3.2
441.21582	0.6
443.18579	1.1
445.20209	10.1
446.20990	2.3
447.21753	0.9
455.18967	1.6
456.19626	0.6
457.20053	1.5
459.22162	0.8
460.22537	1.3
469.19901	0.9
471.21558	1.4
473.19977	1.8
474.20355	1.4
475.21649	0.8
483.21985	0.6
484.22961	0.7
485.23563	1.8
499.25446	1.0
500.24088	0.6
505.22421	1.5
513.24677	0.6
515.27979	1.7
517.22626	0.9
517.38873	0.7
527.24078	0.5
529.26917	0.8
532.25189	0.6
533.25934	4.2
543.27563	1.0
549.24591	0.5
557.25726	1.4
560.24243	0.7
561.25256	2.9
573.28455	0.8
577.24493	1.4
592.26990	1.3
601.31958	5.5
603.73145	0.5
617.28223	0.6
629.31213	6.5
661.33600	3.4
689.33386	100.0
690.33856	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	689.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.7
51.02392	0.9
53.03937	1.8
55.01871	1.3
55.05519	1.4
57.03423	3.0
59.77229	0.6
61.03495	0.6
67.05524	1.6
68.05016	1.0
68.99809	1.7
70.06594	1.9
70.98976	0.6
71.05003	17.2
72.08151	0.7
74.48856	0.6
79.05510	2.5
81.07062	7.7
83.04974	1.6
85.02911	16.1
86.07526	0.6
87.04505	0.7
89.84297	0.6
91.05493	1.3
95.04957	1.9
95.08614	3.5
96.03899	1.4
96.04496	16.4
97.02929	0.8
105.03425	1.1
105.07075	1.2
107.04999	0.9
107.08584	1.1
111.04452	1.2
112.46980	0.6
113.07165	2.1
114.05563	1.6
119.08640	0.8
121.06504	1.1
123.04439	98.9
123.08043	1.4
123.86399	0.6
129.05487	2.9
131.04843	0.7
131.08650	0.8
133.02876	0.8
133.10214	0.8
135.04454	1.9
137.02350	2.0
137.06006	3.1
139.03905	12.3
142.05013	18.6
145.06476	0.9
147.04501	0.8
149.02345	1.0
149.06029	1.7
149.39369	0.6
151.03918	2.4
153.01845	1.1
153.05534	0.7
159.07668	29.3
161.02370	1.3
161.05994	2.1
163.03886	6.2
163.07504	3.7
165.01855	25.7
165.05530	1.8
167.03543	0.7
167.07037	1.6
173.05942	1.0
175.03940	1.4
175.07581	0.9
175.11974	1.6
177.01880	2.3
177.05527	2.0
179.03409	2.7
181.05020	0.9
183.02905	7.7
187.03947	1.6
189.05510	1.9
189.09122	0.8
191.03424	2.3
191.07089	0.8
193.08618	0.7
195.02972	1.1
201.09117	1.1
203.03435	1.0
205.08659	1.0
207.10201	9.2
209.08315	1.0
215.07083	1.0
223.07567	0.7
225.05493	1.1
229.04922	1.3
231.06616	3.0
233.08101	23.6
243.06630	2.1
245.04463	2.1
247.06174	0.8
249.07596	9.9
251.09126	1.6
255.06487	0.9
257.04468	2.1
257.08072	0.9
269.08264	1.8
271.05997	6.5
283.06085	1.0
285.04483	0.8
297.07687	1.2
299.05524	5.2
311.12778	6.1
317.06613	11.1
325.07193	0.8
339.12296	16.9
367.11761	18.4
367.16150	1.4
385.12860	100.0
386.13132	2.3
687.45166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05502	1.6
57.03434	0.4
57.07063	1.5
67.05504	2.0
69.07064	1.8
70.09582	0.4
71.08627	0.9
71.51829	0.4
79.05502	2.6
81.03386	0.5
81.07063	2.5
83.04996	0.6
83.08615	1.3
85.10172	0.6
88.92258	0.4
89.06040	0.8
91.05464	1.2
93.07053	1.3
95.04980	0.8
95.08611	1.5
97.10162	0.9
98.21519	0.4
99.08061	0.4
105.07047	1.2
107.08580	0.9
109.10221	0.5
120.08137	0.5
167.23459	0.4
207.09099	0.5
207.13875	0.5
210.11522	0.5
211.12233	0.4
223.12379	0.5
237.10176	0.5
311.29321	0.4
388.16882	0.4
389.17511	0.8
390.18658	0.5
399.15656	0.5
400.17068	0.6
401.17899	1.7
402.18484	1.4
403.19373	2.2
404.19958	0.7
405.20901	1.7
413.18118	0.8
414.18738	0.8
415.19662	2.4
416.20059	1.3
417.16098	0.7
417.21411	3.7
418.21655	1.4
419.22363	1.5
427.19351	1.3
428.15656	0.6
429.17032	1.8
429.21194	1.4
430.17960	1.6
430.22891	0.5
431.18152	3.7
441.16461	2.2
442.17487	1.1
443.18597	1.9
443.23300	0.9
444.18988	2.3
445.20120	7.3
446.20984	4.1
447.21942	1.2
452.16830	0.5
453.16901	0.6
455.18484	2.7
456.19626	1.8
457.19855	2.9
458.21204	1.5
459.22113	1.2
463.21231	0.9
467.18292	0.6
469.20480	1.1
470.21136	0.5
471.22321	2.7
472.22394	0.8
473.19128	2.8
474.20465	1.9
475.21463	1.2
481.20239	1.4
482.21051	0.5
485.24008	2.2
487.21069	0.8
489.22974	1.2
495.21817	0.8
496.22372	0.5
499.25195	1.3
501.26810	0.5
505.22574	1.6
513.22333	1.0
514.27100	1.3
515.28131	1.9
517.22363	1.2
517.38922	6.1
527.37134	0.7
529.26025	0.9
531.24121	1.8
532.24567	1.3
533.25122	1.5
542.26843	1.0
543.26971	1.0
545.24994	0.6
555.25653	0.4
557.25775	1.2
559.26813	1.6
561.25214	4.2
569.25134	0.7
571.25049	0.8
577.24457	1.2
583.27374	1.5
585.26123	0.6
587.26910	1.0
588.24445	0.5
591.26172	1.9
592.26666	9.5
601.32043	3.8
605.25995	0.6
617.27716	0.5
620.26294	18.8
621.26318	0.9
629.31378	5.6
631.30011	0.6
660.32568	0.6
661.33789	7.7
671.32074	1.8
689.33313	100.0
690.33771	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	688.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05273	1.3
55.05513	16.4
57.03440	12.4
57.07066	3.2
59.04987	3.6
61.02935	4.5
65.03941	3.1
67.05508	100.0
68.05823	1.0
69.03414	2.6
69.06733	1.3
69.07075	16.8
69.22506	6.1
69.22910	2.4
69.91313	0.8
71.04985	3.2
71.08617	2.1
73.02919	1.6
79.05501	12.0
81.03421	1.3
81.07061	41.9
83.04951	1.6
83.08628	14.3
85.02903	5.2
85.06525	2.6
85.10227	0.9
91.03947	1.6
91.05478	12.3
93.07044	12.2
94.53433	1.0
95.04993	1.4
95.08613	30.4
96.53883	0.9
97.02901	2.1
97.06528	2.8
97.10179	4.9
98.21553	2.1
104.08849	1.1
104.55152	1.1
105.06995	5.8
107.08591	9.4
109.06502	1.0
109.10162	77.0
110.10445	1.0
111.08095	4.3
119.08580	8.2
121.10151	5.1
123.08026	1.1
123.11742	5.6
129.07010	1.2
131.08504	1.1
133.10139	5.4
135.11646	2.6
137.09650	3.0
137.13263	1.8
137.69405	1.0
147.11711	2.3
149.13289	1.5
151.11119	1.5
155.10646	6.7
161.13245	2.6
173.11743	17.8
175.14789	1.4
184.07365	4.2
200.80678	1.1
211.13348	1.4
227.12794	2.1
229.14363	87.1
230.14830	1.1
245.22672	2.6
263.23773	4.5
284.07388	0.9
319.26196	1.2
337.27383	78.6
338.27670	1.9
368.56293	1.0
491.37347	75.9
492.37570	3.6
526.41650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34919	1.7
53.03949	1.5
53.63126	1.3
55.05274	1.7
55.05517	16.9
56.45674	1.2
57.03436	14.5
57.07075	3.2
59.05005	2.6
61.02916	4.4
65.03930	2.6
67.05508	98.7
68.86427	1.7
69.03424	2.6
69.07073	18.0
71.04998	4.2
71.08639	1.3
71.50667	2.1
73.02921	1.9
76.05091	1.2
79.05494	13.2
81.07062	38.7
83.08622	13.1
85.02888	4.8
85.06551	2.8
86.09718	5.0
91.03978	2.5
91.05486	10.4
93.07048	12.2
94.18409	1.3
95.08610	28.3
97.02894	3.1
97.06544	1.9
97.10170	2.9
99.08124	1.3
105.07055	6.7
107.08588	5.7
109.10164	76.7
111.08092	3.3
111.09808	1.7
119.08584	6.9
121.10170	5.2
123.11710	4.1
125.00034	2.5
133.08606	1.6
133.10136	3.7
135.11668	2.2
137.09615	3.8
137.13287	1.8
147.11754	2.2
155.10608	6.6
158.37453	1.5
161.13261	1.9
173.11755	18.8
175.14803	2.2
184.07338	14.1
227.12689	3.0
229.14371	100.0
245.22691	2.0
263.23679	4.5
278.69113	1.5
294.77866	1.4
337.27377	64.9
338.93460	1.4
444.86020	1.4
491.37369	53.1
688.47699	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	688.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20738	2.7
53.03951	13.8
55.01873	4.7
55.05510	29.1
57.03450	14.6
61.02914	4.1
61.17848	2.9
65.03922	3.8
67.05187	3.8
67.05512	62.4
69.03427	3.8
69.07069	20.2
71.04990	7.1
73.06561	3.2
79.05497	88.2
81.03425	69.9
81.07059	65.3
83.04978	21.3
83.08625	27.1
85.02918	17.8
91.05484	80.0
93.07053	78.8
95.04387	4.6
95.04975	44.0
95.08604	29.1
97.02866	5.5
97.06523	7.8
97.10150	5.9
105.04537	4.1
105.07045	53.0
107.04950	9.9
107.08604	27.6
109.06516	12.5
109.10159	8.6
111.08073	8.7
112.17749	2.7
117.07011	14.3
119.08592	38.8
121.06470	6.0
121.10138	10.8
123.08070	8.4
125.09639	4.0
128.06244	3.0
129.07031	30.0
130.94057	2.5
131.08574	10.3
133.06485	4.2
133.10126	17.4
135.11646	3.9
138.93874	2.8
143.08542	6.5
145.10124	10.7
147.08000	5.8
147.11699	47.9
149.09659	6.4
157.10118	11.5
161.00731	2.8
161.09702	3.6
161.13249	9.2
165.12787	5.8
171.11697	25.6
175.11212	9.3
179.33127	2.9
189.12718	6.8
193.12273	30.9
207.13794	33.8
211.13300	41.2
225.14935	4.0
246.34354	3.0
249.14760	3.9
267.15897	35.9
281.17493	100.0
285.16959	31.5
387.82343	3.1
473.28995	90.1
491.30118	97.6
492.29865	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	688.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01854	2.4
55.05515	7.7
56.35552	0.7
57.03445	3.8
57.07051	0.7
61.02901	1.2
65.03906	1.2
67.05505	12.1
69.03405	2.1
69.07066	5.0
69.47509	1.2
69.47916	3.8
69.94301	0.6
71.04965	2.5
72.08139	0.7
73.02895	2.4
76.94697	0.7
79.05495	21.4
81.03391	3.1
81.07056	15.8
82.29821	0.7
83.04946	2.6
83.08625	7.4
85.02880	1.3
91.05490	7.7
93.07049	33.3
95.04459	0.6
95.04981	6.7
95.08612	33.1
97.02912	4.8
97.06501	3.0
97.10144	0.9
99.04458	3.8
103.05411	1.5
105.07031	6.6
107.04963	9.2
107.08602	28.8
109.02785	1.0
109.06500	1.7
109.10127	2.2
111.04408	2.0
111.08096	1.8
113.05934	0.9
117.07024	9.0
119.07839	0.8
119.08591	10.8
121.06521	4.7
121.09324	1.1
121.10146	13.1
125.05978	3.2
130.07733	1.5
131.08530	1.3
133.10101	3.0
135.08023	2.3
135.11699	53.5
136.12080	0.7
137.34285	0.7
139.07520	1.7
143.08588	0.7
145.06416	1.0
145.10129	28.0
153.12645	0.8
163.11189	72.0
164.11446	1.2
173.09608	1.4
181.12234	13.9
182.49983	0.6
209.11809	2.0
227.12790	79.7
228.13152	1.4
242.81499	0.7
283.15408	91.5
284.15732	1.6
375.63388	0.8
424.53345	0.7
491.26428	100.0
492.26724	2.4
585.28931	1.0
688.34985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07526	1.3
53.03934	4.9
53.84682	1.2
55.01869	3.7
55.05515	14.3
57.03444	7.0
65.03940	1.8
67.05504	38.5
69.03416	4.4
69.07075	12.7
71.04997	3.7
71.51397	1.7
73.03615	1.4
73.14221	1.3
76.25128	1.4
79.05499	45.7
81.03430	9.6
81.07060	60.2
82.07394	2.1
83.04988	10.3
83.08626	8.2
85.02893	3.2
85.06532	4.3
91.05483	43.3
93.07051	40.4
95.04985	12.7
95.08612	20.3
97.02873	2.4
97.06560	6.7
97.10179	5.1
99.08101	2.8
105.07035	35.7
107.04946	4.6
107.08601	15.7
109.02803	1.6
109.06539	6.7
109.10159	5.1
111.08080	2.2
113.06024	1.2
117.07022	6.4
119.08588	25.4
120.08902	2.6
121.06557	2.1
121.10136	9.0
123.08092	7.3
123.11703	11.1
125.09602	2.3
127.03871	1.6
127.07511	1.8
128.06206	2.2
129.07034	11.5
131.08580	5.9
133.10107	8.9
135.11668	2.3
137.05966	6.2
137.09660	1.6
143.08572	4.8
145.10138	5.4
147.11697	52.2
149.09570	1.5
149.13281	1.6
155.08517	1.8
157.10126	2.1
159.11635	2.3
161.09612	2.0
161.13255	5.7
163.11172	1.7
165.12756	10.6
171.11688	13.8
189.12752	6.3
207.13824	21.5
242.76817	1.5
267.15918	32.9
281.17493	54.3
285.16959	29.1
337.61212	1.5
441.27496	1.7
459.27225	3.9
473.27991	1.5
477.28427	3.6
491.30072	100.0
492.30136	4.7
526.35638	4.4
557.59558	1.6
670.39441	1.9
688.41278	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.1
53.03947	10.2
55.01876	15.9
55.05278	1.5
55.05520	23.9
56.58574	1.2
57.03433	5.1
57.07086	2.1
65.03934	5.4
67.05511	67.9
69.03434	10.6
69.07076	41.1
71.01373	1.2
71.04994	8.5
71.08620	2.7
77.03915	1.5
79.05500	50.5
81.03426	44.9
81.07064	89.1
83.04985	14.7
83.08627	13.0
85.02903	5.0
85.06536	2.7
91.05489	72.3
93.07051	49.7
93.38820	1.4
94.07411	1.4
95.01337	12.4
95.04987	13.3
95.08614	44.2
97.02898	10.5
97.06544	30.3
97.10188	3.7
98.21555	2.2
99.04451	2.2
99.08121	3.1
100.81235	1.1
103.05483	4.3
105.04562	2.1
105.07040	89.4
107.04961	21.7
107.08606	29.9
108.08965	1.6
109.02889	4.9
109.06528	5.1
109.10168	12.9
110.10486	1.9
110.35255	1.2
111.04454	5.8
111.08109	5.6
115.05457	3.3
117.07027	23.2
119.08594	45.2
121.06494	6.3
121.10141	14.4
123.04443	3.5
123.08078	3.8
123.11721	4.3
125.09694	2.1
127.03918	3.3
128.06253	1.8
129.07005	4.8
130.07826	1.5
131.04997	1.6
131.08583	34.4
133.06496	3.3
133.10138	50.6
134.10490	1.8
135.08087	3.3
135.11713	11.5
137.09630	3.9
141.06989	3.2
142.07687	1.6
143.08586	6.6
145.06496	3.3
145.10133	20.5
147.08057	2.2
147.11687	23.6
149.09666	7.8
149.13264	12.0
151.07588	1.9
151.11223	2.4
155.08598	5.1
157.10162	3.9
159.08015	2.7
159.11711	16.7
161.09653	1.8
161.13300	7.4
163.11217	5.1
165.05496	1.3
165.09143	3.8
165.12727	3.0
169.10176	4.1
171.11633	5.7
173.11795	1.3
173.13283	5.1
177.12846	8.4
179.14311	18.0
183.06551	1.3
183.11714	3.5
185.13297	2.5
187.11241	4.0
187.14896	2.3
189.12805	1.5
193.12294	1.4
195.11977	1.2
195.13812	5.1
197.13361	3.0
201.12802	1.9
205.12263	1.7
207.13791	1.6
211.14897	1.6
219.13843	2.0
229.14372	4.4
229.19664	1.4
230.14812	1.5
233.15369	1.9
239.18001	3.8
241.14381	2.2
247.20592	2.8
257.19000	7.5
267.16116	1.6
269.17557	1.7
275.20084	100.0
276.11484	1.3
276.20453	2.3
285.14856	2.0
292.58237	1.2
293.21182	6.2
311.85062	1.1
321.17038	1.9
331.22665	1.5
335.25970	2.2
336.26297	2.6
339.18008	9.4
349.23813	10.8
395.20557	11.7
490.36743	1.7
525.35730	1.8
539.26300	1.4
543.37018	9.0
627.28528	1.4
655.27533	2.4
669.38959	1.9
687.30444	5.2
687.40967	52.8
688.41333	2.3
713.55188	1.4
717.34418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	16.1
53.63647	1.9
55.01878	10.3
55.05515	32.8
57.03442	10.1
57.07070	5.5
65.03938	6.9
65.47263	2.1
66.39281	2.3
67.05511	74.8
69.03435	20.8
69.07075	34.5
71.04978	12.0
77.03927	2.9
79.05499	71.3
81.03422	58.1
81.07063	100.0
83.04984	19.2
83.08625	18.2
84.28343	1.9
85.02904	10.8
85.06548	5.7
91.05486	71.8
93.07050	68.9
95.04980	17.5
95.08612	41.8
97.02898	16.2
97.06535	20.0
97.10172	7.1
99.04453	6.8
99.08070	3.1
103.05489	2.7
105.07037	64.3
107.04942	15.7
107.08604	43.7
107.25841	1.9
109.02866	10.9
109.06557	11.9
109.10153	13.3
111.04456	9.2
111.08096	6.6
113.06050	2.9
115.05473	5.0
117.07028	36.1
119.05017	2.8
119.08593	40.3
121.06511	9.2
121.10147	21.0
121.16007	2.0
123.04468	2.3
123.08092	5.9
123.11739	4.7
125.09631	6.8
127.03931	10.3
128.06247	6.5
129.07021	16.0
130.07838	2.1
131.04950	2.4
131.08580	31.6
133.06509	6.0
133.10156	30.6
135.08070	7.0
135.11722	13.7
137.06070	2.1
137.09610	2.8
141.07022	6.1
142.07832	4.5
143.08559	16.5
145.03566	2.2
145.06497	5.3
145.10129	27.8
147.08066	5.8
147.11699	24.2
149.05968	2.1
149.09642	15.7
149.13283	12.2
151.11247	3.6
154.07797	3.5
155.08595	7.4
156.09357	2.3
157.10121	12.7
159.08109	4.6
159.11722	22.7
161.09616	4.7
161.13283	4.8
163.11166	9.4
165.12825	4.5
167.08594	5.4
169.10129	10.3
171.08105	2.9
171.11684	11.5
173.04498	6.5
173.09575	4.7
173.13318	8.8
175.11246	4.3
177.12807	6.1
179.14317	4.0
181.10245	4.3
181.72180	2.3
183.08080	2.5
183.11688	8.9
185.09679	2.8
185.13313	5.5
187.11192	4.8
193.10167	4.6
195.11909	3.2
195.13850	8.3
197.13274	6.2
199.11241	3.4
201.12793	3.2
207.11777	3.3
211.11348	2.1
213.12849	3.0
221.13387	2.0
222.36455	2.0
223.14922	2.2
231.13911	2.4
239.18016	4.6
257.19083	14.3
267.15921	3.3
269.17599	8.6
273.14758	2.9
273.18445	2.5
275.20084	42.5
293.21152	4.8
299.20059	2.9
303.16110	3.4
321.17294	2.0
331.22873	2.3
335.19641	2.0
337.21487	3.0
339.18112	6.0
349.23767	6.8
365.21283	3.0
367.22833	2.0
377.19785	3.2
395.20868	6.8
401.23578	3.1
419.24722	3.2
433.31171	3.7
475.26761	2.2
507.34625	2.5
525.35956	14.2
543.36859	8.9
633.37610	2.4
651.39099	5.1
669.39972	11.0
687.41095	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77221	1.7
53.03949	17.3
55.01879	15.6
55.05516	27.0
57.03435	9.3
57.07064	2.7
61.02919	1.8
62.57761	1.6
65.03947	5.8
67.05510	77.2
69.03431	19.8
69.07073	40.1
69.38649	14.2
70.72849	1.7
71.01330	2.4
71.04984	9.0
73.02921	2.5
77.03908	1.7
79.05499	68.7
81.03424	55.2
81.07060	100.0
83.04982	15.9
83.08629	15.1
85.02896	8.5
85.06541	4.1
90.07366	1.8
91.05486	79.7
93.07047	63.5
95.01334	7.4
95.04984	17.9
95.08613	42.8
97.02882	16.0
97.06542	24.0
97.10181	6.8
99.04456	6.4
99.08086	4.1
103.05449	4.7
105.04578	2.0
105.07037	77.6
107.04971	18.6
107.08595	30.9
109.02888	7.3
109.06533	9.4
109.10165	13.7
111.04429	5.9
111.08080	6.2
115.05490	4.6
117.07014	25.7
119.04944	1.7
119.08586	43.1
119.09372	3.2
121.06503	6.2
121.10142	17.4
121.82419	1.6
123.04432	3.5
123.08099	5.5
123.11710	5.9
125.09641	2.7
125.72915	1.7
127.03905	8.4
128.06252	3.2
129.05533	2.2
129.07031	11.5
130.07761	2.2
131.04945	2.1
131.08568	33.9
133.06494	5.0
133.10138	44.2
135.08064	7.7
135.11754	10.5
137.09619	2.8
141.07014	6.7
142.07797	2.6
143.08571	11.2
145.06494	5.2
145.10132	26.9
147.08069	4.6
147.11722	20.7
149.09610	11.4
149.13274	15.5
151.11212	4.4
154.07803	2.0
155.08575	8.0
157.10168	11.1
159.08092	2.9
159.11716	22.6
161.09633	4.1
161.13271	6.6
163.11238	5.5
165.12738	3.4
167.08568	2.6
169.10167	7.1
171.08093	2.1
171.11681	12.3
173.04509	4.7
173.09630	2.6
173.11893	1.8
173.13292	7.8
175.11198	3.9
177.12737	8.6
177.55479	1.7
179.08653	1.8
179.10776	2.2
179.14305	16.0
181.10158	3.1
183.11691	8.8
185.09673	3.6
185.13301	6.1
187.11212	2.6
187.14897	2.3
189.12784	3.5
195.11743	4.1
195.13858	7.7
197.13246	6.0
201.12653	2.4
204.09421	1.9
207.13652	2.0
209.13272	2.6
211.14882	3.3
213.12784	2.6
219.13916	2.5
219.17467	2.3
221.13342	2.2
229.19592	2.1
233.13304	2.5
239.18045	5.0
247.20648	3.0
257.19025	10.5
267.15930	2.8
269.17612	6.7
275.20087	85.3
293.21149	5.6
303.16031	2.0
321.17191	3.2
331.22876	2.8
339.18008	8.7
341.21103	1.8
349.23685	9.6
355.22867	2.2
365.21133	2.6
383.22195	4.9
395.20673	12.4
419.24426	2.2
451.31985	2.9
525.35852	10.3
543.36609	11.9
651.38977	6.5
669.39893	8.0
687.40997	74.7
688.40936	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	687.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.9
51.02366	2.0
53.00297	1.6
53.03946	15.8
54.96984	1.7
55.01874	15.1
55.05513	32.4
57.03432	8.3
61.79293	1.9
65.03927	6.6
67.05506	86.9
69.03427	24.5
69.07069	44.6
69.91785	5.1
69.92194	4.6
70.55630	1.8
71.01357	2.1
71.04994	10.5
71.08643	2.3
77.03926	2.3
79.05022	1.8
79.05495	72.5
81.03421	61.1
81.07057	100.0
83.04974	16.8
83.08621	15.4
85.02897	9.2
85.06536	5.1
86.46204	1.7
91.05483	82.0
93.07044	67.2
95.01333	6.2
95.04967	14.2
95.08607	48.4
97.02901	16.8
97.06532	21.9
97.10167	8.3
99.04469	6.2
99.08110	2.0
103.05445	4.1
105.04517	2.6
105.07034	77.0
107.04967	20.6
107.08598	39.8
109.02879	12.2
109.06541	9.0
109.10145	14.2
111.04438	6.8
111.08090	6.0
115.05465	5.9
117.07023	30.2
119.08588	48.8
121.06512	7.6
121.10145	18.5
123.04431	3.3
123.08064	5.7
123.11715	6.1
125.06078	1.8
125.09649	5.9
127.03930	12.1
128.06175	4.8
129.07002	15.8
129.92967	2.1
131.04907	3.6
131.08580	37.0
133.06509	4.9
133.10132	42.9
135.08047	7.2
135.11699	12.3
137.09653	3.4
141.07019	5.0
142.07787	2.9
143.08577	12.9
145.06503	5.9
145.10135	29.1
147.08101	3.5
147.11685	21.9
149.06000	2.3
149.09618	12.3
149.13225	12.8
153.07037	2.1
154.07756	2.3
155.08562	9.1
157.06584	2.3
157.10156	7.9
159.08066	5.0
159.11678	23.2
161.09720	2.4
161.13335	9.2
163.11215	7.1
165.09157	2.4
165.12761	4.5
167.08624	3.1
169.10146	5.6
171.08043	3.6
171.11687	10.2
173.04515	7.3
173.09608	3.6
173.13269	9.7
175.11252	2.8
177.12767	7.6
179.08575	1.8
179.14310	14.5
181.10152	3.9
183.06590	3.1
183.11748	8.2
185.09683	2.4
185.13255	4.3
187.11206	4.8
187.14926	3.2
189.11171	2.9
189.12730	3.5
191.14273	2.2
193.10124	2.2
195.11774	4.8
195.13858	9.1
197.13306	5.3
203.80687	2.2
207.11824	2.5
207.13832	1.9
209.13318	4.4
211.15018	3.7
219.17540	4.4
221.13306	3.0
233.15445	2.2
239.17986	2.6
247.20567	3.2
257.15366	1.9
257.19034	9.8
259.20639	2.9
267.15765	2.0
269.17526	7.6
275.16995	4.0
275.20068	81.0
287.16501	2.7
293.21094	4.3
303.16013	3.3
310.75153	2.0
331.22629	3.7
337.21506	2.5
339.17807	8.7
349.23636	9.7
383.22192	2.1
395.20615	8.8
419.24408	3.6
451.32077	2.7
525.35901	12.4
543.36896	10.3
651.38739	2.4
669.39807	6.7
687.40924	66.4
688.41034	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	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
53.58950	1.8
53.78094	1.3
55.01878	4.7
55.05508	6.5
57.03438	2.5
57.07068	2.3
61.98874	1.6
67.05505	21.9
69.03437	2.6
69.07077	6.9
69.30930	14.2
71.05021	2.0
71.08631	1.7
76.07352	1.5
79.05492	14.4
81.03432	7.3
81.07062	20.2
83.04966	3.5
83.08622	4.9
85.02918	2.5
85.10242	1.7
90.88423	1.4
91.05488	15.6
93.07048	14.3
95.04993	3.0
95.08590	8.3
97.02885	1.9
97.06551	6.7
98.20815	3.8
105.07063	9.1
107.04971	3.1
107.08609	8.4
109.10177	6.7
111.08060	1.7
117.07021	4.6
119.08604	6.6
121.06509	2.5
121.10138	2.7
123.11703	1.8
125.09643	2.2
127.03944	1.9
129.07016	3.3
131.08594	5.3
133.10162	5.6
135.08101	2.5
135.11818	2.5
143.08601	2.0
145.10178	3.7
147.11725	4.9
149.09653	4.5
149.13336	1.6
159.11740	4.3
161.13414	2.0
169.10219	3.2
171.11731	2.8
173.13217	3.1
223.12437	3.2
225.13841	2.1
227.12804	1.8
229.14325	4.8
237.13872	3.7
238.14685	3.1
247.12485	1.8
262.13638	1.9
275.20032	8.1
276.14935	2.0
297.07126	1.6
318.16150	3.2
329.19049	1.8
350.16818	1.8
351.16238	2.8
352.17215	1.7
353.18127	3.8
365.18027	4.6
366.18750	3.7
367.19370	4.4
379.15417	2.4
379.19589	3.8
381.17191	4.6
381.21222	3.4
382.17822	2.4
391.19247	4.2
393.21323	2.8
395.19000	2.8
396.19730	3.5
397.20663	4.2
403.19205	2.1
405.17206	4.0
409.20239	6.2
410.21030	7.3
411.21881	10.4
419.18878	2.1
420.19525	3.7
421.20544	3.3
422.20953	6.2
423.21796	4.4
425.23651	3.6
433.20782	2.2
434.21710	1.6
437.23618	6.4
439.21390	2.9
447.22055	3.4
448.18930	19.4
449.19443	1.9
451.21460	2.5
453.23004	6.4
465.23477	2.9
468.25589	11.7
469.26468	3.9
475.17307	3.1
476.18600	2.9
479.24786	2.4
480.21201	19.4
481.21625	7.3
483.23669	2.8
493.18192	3.2
496.24902	9.0
497.25928	12.4
498.26315	20.9
507.24835	3.4
508.21252	4.4
509.21860	2.8
511.27786	1.8
512.27301	2.7
523.25464	2.1
524.24451	7.0
525.25287	9.8
525.36456	2.2
526.25439	2.7
534.22919	4.7
535.23657	2.5
539.26953	8.7
540.27435	11.5
552.24078	4.3
553.24249	3.4
563.22961	5.6
566.25452	2.6
567.25916	12.9
580.23065	3.7
581.24139	2.1
584.26202	11.6
585.27039	13.6
594.24646	22.7
595.25464	3.7
599.28546	7.3
609.26660	3.1
612.25775	32.6
613.26752	9.6
627.28113	45.9
628.28845	2.2
637.26672	7.5
655.27594	58.1
656.28186	2.8
687.30298	100.0
687.41119	11.4
688.30438	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49299	0.8
53.03944	1.3
53.83413	0.7
55.01881	1.5
55.05516	12.2
57.03446	15.2
57.07078	2.3
59.05005	3.8
59.69762	0.9
61.02937	5.1
65.03942	3.0
67.05512	100.0
68.05856	1.3
69.03430	1.5
69.07077	8.2
71.04993	3.7
71.32256	0.8
79.05498	17.7
81.03403	0.8
81.07065	39.0
83.04991	1.0
83.08620	7.6
85.02912	3.6
85.06554	3.2
91.03951	1.4
91.05489	13.4
93.07053	21.6
95.04979	1.7
95.08616	26.2
97.02897	2.6
97.10158	1.2
98.21546	1.7
99.08064	1.3
105.07054	7.1
107.08609	15.3
109.10170	76.1
111.08074	4.1
115.63629	0.9
117.06983	3.9
119.08598	11.2
121.10162	11.0
123.08094	0.8
123.11715	3.6
125.09632	2.3
131.08557	5.3
133.10149	5.3
135.11722	7.5
137.09612	3.3
137.13297	1.3
145.10178	4.0
145.71815	0.9
147.11714	3.1
149.13316	4.8
151.11244	1.1
155.10689	9.9
157.10094	1.3
159.11714	3.5
161.13278	2.4
163.14847	2.9
173.11797	20.5
173.13274	3.4
177.16400	1.0
187.14870	1.2
189.11185	1.1
201.16501	1.1
227.12782	5.5
229.14374	95.6
229.53716	1.2
230.14790	1.3
233.22458	1.1
243.21172	4.3
261.19434	1.4
261.22168	18.1
317.24777	3.4
335.25842	66.7
336.26208	1.8
379.30243	1.1
397.31183	1.0
466.96762	1.0
471.34717	1.3
489.35837	37.5
490.35889	1.0
507.36923	2.6
686.46552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70348	1.0
53.03944	3.2
55.01867	1.8
55.05518	8.2
57.03435	2.6
57.07080	2.0
65.03937	1.4
65.97676	1.3
67.05509	19.8
69.03422	4.4
69.07079	9.3
71.04977	2.7
71.50986	1.6
73.94102	1.2
79.05498	16.5
81.03423	14.2
81.07063	22.9
83.04986	3.8
83.08633	2.8
85.02900	2.0
85.06565	1.3
91.05491	18.2
93.07045	17.2
95.04976	4.9
95.08607	12.3
97.02898	4.0
97.06540	5.3
97.10171	1.1
105.07037	16.6
107.04951	4.4
107.08623	9.9
108.08117	1.3
109.02895	2.7
109.06538	3.6
109.10161	4.3
111.04429	2.6
111.08075	2.2
117.07008	5.3
119.08580	10.2
120.04469	1.1
121.06476	1.7
121.10130	3.9
123.08116	1.7
125.09628	1.9
127.03963	1.7
128.06258	1.4
129.06996	4.0
131.08575	7.8
133.10118	9.2
135.08110	2.0
135.11714	4.1
137.09596	2.2
140.44063	1.1
141.06982	3.2
143.08578	3.6
145.06445	2.9
145.10139	8.0
147.08067	1.4
147.11699	6.2
149.09634	1.5
149.13271	3.7
151.82179	1.3
155.08630	1.7
157.10092	3.2
159.11707	5.0
161.13252	1.9
163.11197	2.9
167.08530	1.4
169.10109	2.6
171.11580	1.5
173.04442	1.4
173.13243	1.8
177.12717	1.6
179.14342	1.6
183.11717	1.6
195.09331	1.3
195.11632	1.1
197.10707	1.3
197.13246	1.6
199.08694	1.8
204.33070	1.3
205.12276	1.3
208.09827	2.7
209.10745	6.5
210.11484	3.5
211.08722	1.7
211.12280	2.4
211.14841	1.2
213.06596	1.6
213.10324	1.3
222.11391	2.1
223.08804	1.3
223.12215	5.9
224.13094	4.1
225.13928	3.7
227.08255	1.9
232.09799	1.8
236.13007	1.6
237.10172	3.9
237.13914	15.4
238.14653	8.1
239.15401	3.9
241.09850	2.4
247.20590	1.3
250.10878	1.5
251.08084	1.4
253.13377	3.3
255.11440	1.7
257.19077	2.9
265.13400	11.5
266.14154	4.3
267.15100	3.3
269.17554	1.6
273.12219	2.1
275.20050	12.1
286.29922	1.2
287.14597	1.2
297.12546	1.8
309.16022	2.3
311.13773	1.2
315.13538	2.8
323.20139	1.3
325.15549	8.0
327.17099	4.0
328.18002	1.4
340.14142	1.8
349.23822	2.1
362.17636	1.1
388.20187	3.1
395.19589	2.1
400.16101	1.9
402.21927	1.5
407.18695	1.8
419.18765	1.7
437.19666	1.9
490.23117	1.8
491.24161	1.7
497.25577	1.9
505.22354	1.9
507.24155	1.9
509.22168	1.8
521.25342	2.8
525.25110	6.9
525.36023	1.8
535.23462	2.1
539.26318	2.0
543.36615	1.6
549.24670	2.0
553.24268	3.4
567.25830	2.8
568.26587	2.4
595.25323	4.2
609.27344	14.8
623.24390	2.5
627.28278	36.4
637.26392	6.3
651.38599	1.7
655.27655	100.0
656.27386	4.3
658.01147	1.4
687.29730	4.6
687.40741	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	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.05512	13.7
57.03436	14.6
57.07070	1.9
59.04992	4.2
61.02911	4.1
65.03919	2.4
67.05505	100.0
68.05840	1.0
69.03404	2.1
69.07063	8.3
69.30720	4.5
69.31140	3.3
70.20554	0.9
71.04974	3.7
73.02881	1.1
79.05494	24.5
81.03377	1.6
81.07060	40.0
83.04951	1.1
83.08624	8.9
85.02898	3.9
85.06531	2.2
91.03947	1.6
91.05485	15.2
93.07047	28.4
95.04977	1.6
95.08612	24.6
97.02855	2.9
97.06554	1.8
97.10143	2.6
105.07046	9.9
107.08592	15.4
109.10159	69.9
111.08080	4.4
117.07003	3.7
119.08591	12.2
121.10143	11.9
123.11687	3.0
131.08545	6.7
133.10130	6.0
135.11737	7.4
137.09581	3.9
137.13240	1.8
141.31694	0.9
145.10153	4.8
145.97440	0.9
147.11661	4.8
149.13251	5.3
155.10677	8.1
159.11662	3.0
161.13222	2.1
163.14810	3.3
173.11719	18.1
173.13248	3.4
175.14830	1.0
185.13261	1.2
227.12756	3.1
229.14357	84.2
230.14861	1.2
243.21165	5.8
261.22156	18.6
299.23880	1.2
299.94272	0.9
317.24664	2.9
335.25803	77.9
336.26227	1.7
379.29797	1.2
471.34421	1.0
489.35754	56.8
490.36249	1.4
507.36615	3.0
535.03076	1.0
687.30072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01864	1.1
55.05514	11.5
57.03450	5.4
65.03937	1.3
67.05509	26.7
69.03437	2.3
69.07063	6.5
69.64261	4.7
71.04984	2.6
74.87904	0.8
79.05500	39.7
81.03410	4.8
81.07058	22.4
83.04982	6.9
83.08619	6.0
85.06503	1.4
91.05482	22.0
93.07048	40.9
95.04983	9.9
95.08611	25.2
95.48714	1.0
96.53603	0.9
97.06532	3.8
97.10186	1.5
98.20759	1.7
99.04439	2.3
103.05455	1.2
105.07040	18.0
106.52409	0.9
107.04961	6.2
107.08604	20.8
109.06523	4.2
109.10170	3.6
111.04441	1.5
111.08061	1.0
117.07015	7.0
118.07468	0.9
119.08585	12.8
121.06495	3.5
121.10148	7.8
123.08082	2.0
125.06055	1.1
129.07062	5.7
130.07773	1.1
131.08559	1.9
133.10165	4.9
135.08034	2.1
135.11700	29.6
139.07553	1.3
143.08572	3.8
145.10130	18.3
147.08049	1.4
147.11697	12.6
159.11725	1.2
161.09605	1.5
161.13275	3.4
163.11186	36.1
171.11682	9.7
173.09732	1.1
181.12263	5.4
189.12791	3.5
203.10825	1.2
207.13791	9.3
209.11699	1.2
227.12788	36.7
267.15781	1.1
281.17490	62.9
282.17850	1.4
283.15411	30.0
442.73599	1.1
489.28510	100.0
490.28616	3.0
583.36005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.9
57.03416	2.4
57.06832	2.9
57.07081	38.4
67.05505	36.6
69.07074	13.0
69.59885	10.9
70.27474	1.9
71.08638	29.1
73.04755	2.8
79.05496	40.4
79.05923	4.1
81.07060	45.9
83.08635	12.4
85.10204	15.8
87.00208	2.0
91.05466	15.6
93.07056	32.9
94.09311	1.9
95.05032	2.2
95.08617	43.4
97.06549	2.5
97.10160	3.4
99.08104	2.1
105.07044	14.5
106.07409	2.4
106.33147	2.1
107.08580	21.2
109.10181	14.3
113.00009	20.0
117.07002	5.3
119.08587	11.2
121.10178	15.1
123.11722	5.7
124.21484	2.1
131.08580	11.2
133.10123	9.1
135.11703	11.3
145.10110	8.0
147.11707	5.4
149.13292	6.0
159.11714	6.5
161.13278	7.0
163.14746	4.2
169.02625	12.7
173.13263	7.0
180.82996	2.1
183.65756	2.2
233.22794	3.5
239.23799	7.6
243.21051	8.6
261.22116	23.5
282.49139	2.2
286.36694	2.3
299.23770	2.4
313.27448	21.0
314.27899	3.3
315.27832	2.6
317.24759	32.0
383.11868	2.7
491.74905	2.1
563.07379	2.4
573.48718	100.0
574.48523	2.8
587.46130	2.4
616.78619	2.4
685.54279	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	685.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17226	0.7
66.14829	0.6
67.05511	1.6
68.99768	1.9
70.82693	1.5
81.23765	0.6
90.91427	0.7
91.05466	1.1
93.03392	0.8
95.04984	2.4
110.07198	0.8
111.04444	2.2
119.04979	4.5
123.04436	54.4
127.03936	1.3
135.04424	1.5
137.05952	0.9
139.03909	100.0
143.04913	2.3
147.04419	19.2
151.03923	3.0
161.05972	7.0
163.03929	2.3
165.05490	13.4
169.04945	1.7
177.05516	2.4
179.07059	2.6
181.04996	0.8
184.04781	0.6
189.05516	1.9
194.26358	0.6
197.76683	0.6
207.06551	5.8
212.09781	0.8
255.93709	0.8
273.07608	2.8
291.08643	40.1
508.15457	0.9
546.02216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.2
57.03440	3.1
57.07080	33.2
60.27872	1.8
65.03926	2.1
67.05181	2.4
67.05506	34.3
69.07072	13.7
69.81364	8.1
71.08633	21.9
71.60307	1.9
73.66724	1.7
75.78169	1.7
79.05086	1.8
79.05502	25.5
81.06597	2.2
81.07059	39.1
83.08620	14.0
85.10188	12.2
91.05465	16.1
93.07040	31.4
95.08609	39.9
97.10148	6.5
105.07037	14.1
107.08595	19.4
109.10162	14.8
113.00002	17.9
117.06967	4.3
119.08597	12.5
121.10135	13.0
123.11700	4.2
131.08583	11.9
133.10074	9.4
135.11711	10.6
137.13225	2.6
145.10117	6.5
147.11725	8.5
149.13243	7.1
159.11678	4.7
161.13237	5.0
163.14841	3.7
169.02620	12.4
173.13283	4.6
175.14781	2.5
201.16519	2.1
239.23651	2.5
243.20985	7.1
246.55635	1.7
261.22141	19.0
277.21930	1.7
313.27496	18.3
314.27512	2.6
315.28091	2.3
317.24768	28.1
380.23260	2.1
413.91846	1.9
420.44516	1.9
499.45276	2.8
573.48712	100.0
574.48712	5.0
587.46021	2.5
685.52753	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	684.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33780	1.6
53.03936	5.4
55.01851	1.4
55.05513	11.5
57.03432	4.6
65.03938	1.8
65.97662	1.8
67.05506	29.2
69.07063	5.2
69.58160	1.4
70.01736	3.3
70.02126	3.7
79.05493	40.6
81.03408	4.7
81.07054	23.1
83.04992	7.7
83.08595	5.8
84.43276	1.4
85.06530	2.4
87.30300	1.6
91.05479	32.5
93.06480	2.9
93.07046	44.5
95.04984	9.5
95.08610	16.6
97.06516	3.5
97.10144	2.6
105.04478	1.8
105.07032	25.0
107.04971	3.3
107.08585	9.6
109.06532	3.2
109.10152	2.8
117.07012	6.5
119.08578	14.6
121.10138	2.7
123.08060	3.1
129.07016	13.6
131.08586	2.8
133.10115	6.7
135.11684	2.2
143.08572	6.4
145.10110	6.8
147.08072	2.5
147.11682	22.6
161.09674	4.2
161.13258	7.3
171.11703	17.9
189.12744	7.0
200.89493	2.2
207.13826	24.8
218.59485	1.4
263.16461	1.9
281.17471	53.2
329.14542	1.6
469.30161	1.7
487.30548	100.0
488.31281	3.7
522.87646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03945	4.8
53.30866	1.2
55.01871	1.7
55.05515	11.5
57.03426	3.9
65.03940	1.9
67.05180	1.9
67.05508	27.1
68.14210	0.9
69.03411	1.2
69.07070	6.8
77.03950	1.2
79.05497	47.4
81.03412	3.6
81.07060	25.1
83.04990	9.8
83.08607	4.1
85.02903	1.9
85.06558	2.2
91.05488	33.2
93.07046	44.4
95.04973	11.3
95.08608	18.0
95.34453	1.1
97.02901	1.4
97.06542	2.8
97.10175	2.2
99.08148	1.4
105.04517	1.3
105.07032	28.2
107.04966	3.9
107.08595	12.2
109.06521	3.6
109.10135	2.9
117.07019	7.0
119.08592	14.5
121.06514	2.7
121.10148	2.0
123.08078	4.7
124.81185	1.0
128.06209	1.5
129.07008	11.1
131.08615	2.0
133.10124	7.2
135.11754	1.3
143.08591	6.4
145.10110	6.7
147.08104	1.8
147.11693	24.9
159.11742	1.3
161.09576	2.5
161.13255	5.9
171.11679	17.5
189.12801	9.6
207.13818	21.2
225.14954	1.9
248.07159	1.2
263.16385	1.6
281.17487	51.0
469.29889	2.1
487.30585	100.0
488.30734	3.7
706.40900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4484
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
52.58891	0.5
53.03939	1.7
55.01865	0.8
55.05512	3.5
57.03426	1.3
57.06883	0.4
57.07083	5.5
67.05511	9.0
69.03428	2.0
69.07056	3.3
69.45847	2.6
69.46257	1.0
71.04998	3.9
71.08646	3.3
79.05508	4.6
81.03434	5.1
81.07059	12.0
83.05000	1.5
83.08630	2.7
85.02923	0.9
85.06533	0.6
85.10192	1.5
87.37898	0.5
91.05473	5.3
93.07044	4.9
95.04972	1.3
95.08623	5.1
95.92144	0.5
97.02917	1.3
97.06537	1.1
97.10175	0.8
99.04444	0.6
99.08109	1.3
105.07043	4.0
107.08591	2.9
107.09238	0.5
109.02874	1.3
109.10166	2.4
113.00035	0.7
117.07059	1.6
118.08083	0.5
119.08594	1.9
121.10133	1.5
123.08167	0.7
123.11705	1.8
127.03925	1.7
129.07011	0.8
131.08594	1.3
133.10133	2.4
135.11664	0.9
141.09280	0.7
145.06516	0.6
145.10136	1.3
147.11658	1.2
149.13274	1.4
151.11189	0.9
155.08641	0.7
159.11728	1.5
163.11203	0.5
163.41661	0.5
169.02541	0.6
171.11642	0.6
173.04514	1.5
177.12785	0.5
183.13878	0.8
187.13338	1.2
195.13959	0.8
239.23788	1.0
259.20493	1.0
272.07751	0.6
289.83688	0.5
313.27444	2.1
315.19464	1.1
317.20883	6.0
327.29117	0.7
331.18945	0.9
333.20337	3.1
339.18015	0.9
373.23380	2.9
389.23056	3.7
539.42688	0.7
571.47168	2.1
597.37531	1.0
683.45026	100.0
684.45270	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	683.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.9
53.03943	2.9
55.01874	3.1
55.05513	13.2
57.03438	3.1
57.07077	6.7
65.03935	2.8
67.05508	38.1
69.07073	13.1
70.69213	2.5
71.04998	2.0
71.08640	7.4
77.03923	0.9
79.05071	1.6
79.05499	23.9
81.07061	38.2
81.61469	0.9
83.04981	1.9
83.08636	5.5
85.06559	2.4
85.10233	0.9
91.05488	18.5
91.06019	1.5
93.07049	29.5
95.04963	3.5
95.08611	27.2
97.06557	4.1
97.10186	2.2
99.08073	4.2
105.04558	1.1
105.07033	13.2
107.04959	1.4
107.08606	18.5
107.09315	1.6
109.06524	14.6
109.10155	9.8
111.08091	2.0
115.05512	1.0
117.07006	5.9
119.08595	13.6
121.06556	1.7
121.08176	1.1
121.10159	10.1
122.07344	2.0
123.08070	24.5
123.11737	3.1
125.09685	1.4
128.67577	0.9
129.07028	2.1
131.08568	7.4
133.06528	1.2
133.10149	9.6
135.08064	22.9
135.11678	6.4
137.09669	1.0
137.13258	1.6
143.08585	2.4
145.10132	11.5
147.08102	1.8
147.11674	7.0
149.09608	5.7
149.13313	4.7
151.14835	1.1
151.18774	0.9
157.10168	4.0
159.11697	5.8
161.09639	4.8
161.13252	5.6
163.11227	2.3
163.14828	2.6
165.12724	1.4
167.14346	2.6
169.02599	1.2
169.10214	1.0
171.11736	2.7
173.13298	2.8
175.11215	2.2
175.14922	2.6
177.12720	7.5
177.16454	1.9
179.14320	74.2
183.11812	1.0
185.13307	1.9
187.14893	2.6
189.12869	1.1
191.14377	3.4
193.15919	2.6
195.11691	1.7
197.13458	1.0
200.91441	1.1
201.16534	1.1
203.14322	1.4
205.15894	13.1
231.17552	1.2
233.19055	1.5
241.19585	2.4
243.21042	1.3
249.22263	1.9
257.19418	1.0
259.20541	6.3
261.22244	3.1
263.20114	1.1
273.18631	1.7
275.20123	3.5
277.21658	2.0
289.21960	0.9
303.26935	2.7
313.27487	2.6
315.23138	1.4
329.24789	19.3
329.28592	1.5
331.26337	46.6
333.24197	2.1
333.27814	14.9
335.25784	6.2
337.27402	2.9
347.26013	1.4
349.27313	1.1
350.52414	0.8
403.28467	1.9
405.30145	5.8
407.31702	3.7
425.34174	1.4
503.37442	2.0
517.38806	4.9
571.47150	3.9
585.45502	2.5
646.99640	1.0
665.51721	3.2
683.52472	100.0
684.53326	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	682.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.1
53.03946	8.4
55.01876	5.8
55.05516	32.7
57.03439	11.0
57.07074	8.4
65.03935	3.5
67.05510	92.5
69.07070	25.4
71.05012	5.9
71.08643	15.0
79.05498	68.0
81.03426	4.6
81.07063	100.0
83.04993	8.4
83.08622	24.4
85.06548	6.7
90.36240	2.6
91.05492	54.4
92.70479	3.2
93.07054	72.4
95.04955	8.3
95.08611	59.7
97.06535	6.2
97.10177	10.2
98.20785	9.7
99.08128	7.7
105.07037	41.8
107.08606	32.7
108.22305	3.9
109.06516	3.7
109.10162	30.5
111.08114	7.9
111.11725	3.7
113.00081	4.6
113.21790	3.1
115.05486	3.0
117.07007	15.5
119.08597	46.1
120.08908	6.2
121.10167	23.0
123.11729	7.1
125.09608	7.1
129.06993	9.2
131.08586	33.6
133.10136	17.6
135.08081	4.4
135.11700	20.2
137.13252	4.5
141.06917	4.0
143.08566	6.4
145.10129	22.1
147.11739	14.9
149.13226	18.3
155.08540	4.7
157.10153	8.0
159.11723	14.0
161.13261	11.3
161.68150	3.0
163.11176	5.0
163.14865	4.8
169.10144	4.3
171.11714	6.9
173.11850	5.3
173.13319	11.8
175.14799	5.8
177.12743	4.3
179.14407	4.7
183.11690	4.9
187.14867	6.2
189.16420	4.6
191.88066	3.8
197.13283	3.0
199.15001	3.1
201.16335	4.8
211.15012	3.2
227.12830	5.2
229.14510	10.2
243.21165	7.7
259.20532	6.2
261.22113	11.0
269.17532	5.8
277.21686	6.1
287.23856	3.6
309.92786	4.0
335.25696	18.7
351.25278	3.9
443.67834	3.5
529.39069	17.4
613.48199	16.2
656.88757	3.4
682.51050	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	683.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	4.4
51.65588	2.2
53.03945	17.2
55.01877	14.4
55.05271	3.0
55.05513	39.7
57.03442	12.4
57.07071	5.6
57.43631	2.1
57.48040	2.3
65.03931	9.0
66.22761	2.6
67.05508	89.8
69.03437	30.2
69.06727	3.0
69.07069	27.9
70.59054	8.2
71.01382	2.9
71.04991	5.2
73.02912	3.4
75.97863	2.4
76.82462	2.3
77.03928	5.9
77.98773	2.3
79.05499	87.5
81.02988	3.5
81.03423	37.8
81.06588	4.2
81.07063	79.9
83.04972	17.2
83.08617	15.8
85.02906	15.4
85.06533	7.1
85.10156	2.4
88.07641	2.8
91.05487	100.0
93.06483	4.7
93.07049	85.7
95.04976	31.4
95.08613	52.4
97.02882	6.4
97.06526	13.1
97.10155	10.3
99.04459	8.2
99.08067	2.8
103.05440	4.3
105.07040	70.9
107.04960	19.2
107.08598	34.0
109.02880	8.9
109.06522	11.5
109.10152	14.4
111.04449	4.0
111.08080	3.8
115.05443	9.0
116.06217	3.0
117.07027	41.4
119.04960	3.0
119.08585	46.5
121.06497	9.9
121.10147	14.7
123.08067	7.8
123.11676	2.8
125.09617	3.4
127.03908	7.0
128.06232	17.7
129.05511	4.1
129.07011	44.5
131.04945	3.7
131.08566	36.5
133.06494	7.4
133.10121	30.9
135.08043	11.2
135.11684	9.5
137.05984	3.2
137.63773	2.5
141.06975	20.5
142.07809	12.5
143.08588	41.0
145.06480	12.4
145.10139	31.2
147.08061	9.7
147.11694	29.8
149.06023	2.9
149.09610	4.2
149.13231	3.6
151.07558	2.7
153.06981	6.9
154.07785	6.3
155.08549	26.2
156.09343	3.3
157.06558	4.2
157.10132	25.7
159.08046	13.2
159.11690	21.5
161.09656	7.3
161.13257	13.5
163.07523	3.4
163.11168	3.0
165.07027	11.0
165.09183	2.6
166.07784	5.3
167.08612	19.8
168.09334	5.4
169.06456	6.4
169.10118	31.3
171.08090	7.2
171.11694	31.0
173.09685	8.9
173.13261	11.1
175.11217	4.1
175.14815	2.8
178.07753	5.1
179.08536	10.1
180.09286	3.5
181.06523	4.0
181.10127	19.4
183.08066	9.0
183.11674	19.8
185.09631	6.7
185.13206	11.9
187.11165	6.7
189.12782	7.9
189.72585	2.4
190.07848	3.5
191.08554	3.7
192.09404	3.2
193.10120	12.0
194.10852	4.5
195.08063	4.4
195.11717	18.8
197.09604	6.0
197.13338	18.9
197.14941	3.8
199.11081	6.2
199.14856	6.0
201.12811	3.2
203.08633	3.4
205.10188	7.4
207.11707	14.8
207.13849	14.8
209.09653	6.5
209.13234	11.2
211.11244	4.8
211.14819	7.7
213.12784	3.0
217.10126	4.8
218.10945	2.8
219.11757	7.2
221.09763	3.8
221.13242	10.5
223.11290	5.2
223.14925	6.5
225.12706	4.1
231.11726	3.2
233.13187	6.8
235.14905	4.3
237.12714	4.9
239.14337	4.0
239.17883	4.1
241.12126	2.7
245.13187	3.2
247.14867	2.9
249.12625	3.6
249.16489	3.3
251.14371	3.7
257.18839	5.6
259.20554	4.7
267.17502	2.5
279.16071	3.8
281.17441	15.7
295.20618	3.1
299.20053	5.3
307.20493	3.8
311.20084	3.4
313.27292	4.0
315.23035	4.5
321.22357	4.3
325.21509	6.9
339.23254	6.0
349.21643	16.8
351.22845	4.6
367.22748	26.5
379.59180	2.4
385.23642	12.9
389.24634	2.8
399.25287	2.5
403.24835	3.8
423.25342	3.4
441.26324	6.6
447.32462	2.6
459.27353	7.2
476.73666	2.4
488.64923	2.5
524.22394	2.4
527.34320	4.6
533.86829	2.7
537.35675	4.7
539.37115	3.5
545.36084	4.7
551.37036	2.9
555.34851	5.5
563.37140	3.1
569.37683	2.9
573.36237	5.3
581.37860	3.2
584.24396	2.9
593.38208	8.0
601.38269	4.1
605.37921	5.7
619.39838	9.0
623.38593	6.0
629.38007	11.0
637.40704	6.5
647.39569	28.4
665.40735	31.2
683.41589	67.9
684.41388	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	681.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03942	4.6
55.01871	2.8
55.05517	16.4
57.03437	4.9
57.07079	10.2
64.52840	1.2
65.03945	2.9
65.90720	1.2
67.05508	38.4
68.05232	1.5
69.03431	3.5
69.07074	19.2
70.75914	3.3
71.05005	2.5
71.08623	9.1
79.05500	38.2
81.03437	3.6
81.07063	38.7
83.05003	2.1
83.08624	8.0
85.06549	3.9
85.10190	1.8
91.05489	42.1
93.03160	1.2
93.07051	34.6
95.04972	4.7
95.08612	36.2
97.06561	5.4
97.10194	4.4
99.08101	5.2
103.05432	1.6
105.07040	38.4
107.04950	1.4
107.08601	26.4
109.06525	20.0
109.10159	10.6
111.08046	2.9
113.00026	3.4
115.05480	2.8
116.06190	1.4
117.07019	13.2
119.08587	28.5
121.06516	1.6
121.10149	15.6
123.08076	30.5
123.11700	2.6
125.09685	1.3
128.06238	2.2
129.07034	7.3
131.08591	16.7
133.06528	2.5
133.10152	19.2
135.08064	29.6
135.11681	8.5
137.09644	2.8
137.13217	1.3
141.07022	2.0
142.07803	2.7
143.08575	9.0
144.09380	1.8
145.10130	19.2
147.08000	1.8
147.11700	11.1
149.09654	5.2
149.13298	5.4
151.11148	1.6
157.10120	10.3
159.11705	11.1
161.09665	5.5
161.13277	7.6
163.11177	1.7
163.14799	1.9
165.12762	1.9
167.14336	3.6
169.02635	1.7
169.10191	4.7
171.11748	5.8
173.13327	7.5
175.11292	2.6
175.14868	3.1
177.12732	8.2
179.14323	100.0
183.11748	4.8
185.13297	2.8
187.11322	1.6
187.14865	2.3
189.12830	2.5
191.14365	4.1
193.15932	3.2
197.13268	3.0
199.14937	2.3
203.14394	3.0
203.35027	1.5
205.15884	15.2
207.17525	5.5
209.13394	1.6
213.16444	1.6
215.17949	1.5
221.19063	1.8
229.19528	1.8
231.17526	1.5
239.18044	4.5
247.20569	8.5
257.19003	10.7
259.20703	6.0
263.20087	3.7
275.20148	3.2
277.21744	3.4
289.21579	1.7
293.67599	1.3
299.72589	1.2
301.25391	1.3
303.26935	2.4
313.21695	4.4
313.27560	3.9
329.24759	19.0
331.22726	2.8
331.26328	56.1
333.24246	5.2
333.28000	21.2
335.26056	1.6
349.27585	1.5
403.28363	2.4
405.29962	6.5
407.31726	3.8
473.32864	3.7
501.35815	1.8
515.37653	8.2
519.40594	2.0
569.37982	2.1
569.45660	3.9
597.67615	1.3
612.43756	1.7
663.50079	3.3
681.50916	96.8
682.51483	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	682.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	16.6
54.05766	3.0
55.01869	8.8
55.03897	3.6
55.05514	41.4
57.03446	21.9
57.07081	58.9
58.07398	8.0
65.03943	5.4
65.56836	3.5
67.05509	100.0
68.05826	8.3
69.03437	30.2
69.07070	32.5
70.07401	4.2
71.04977	9.7
71.08636	37.8
71.51566	4.0
71.51979	4.1
79.05497	86.9
80.05819	14.3
81.03426	47.8
81.07061	94.9
82.03777	9.1
82.07391	13.1
83.04987	24.8
83.08626	26.7
84.08991	4.0
85.02904	17.9
85.10180	19.6
91.05489	87.5
92.05813	9.3
93.06480	6.3
93.07047	83.9
93.07628	4.9
94.07383	11.7
95.04967	20.4
95.08610	73.2
96.08947	12.8
97.02890	12.3
97.06532	9.9
97.10173	12.1
99.04475	5.1
105.07037	64.7
106.07364	7.7
106.72420	3.3
107.04954	11.6
107.08594	25.4
107.12774	3.6
108.08926	5.9
109.02834	5.6
109.06522	6.8
109.10156	26.8
110.10458	4.1
111.04472	5.2
115.05453	6.6
117.07024	25.5
117.07724	4.8
118.07368	11.3
119.08586	34.4
121.06532	7.0
121.10170	15.5
123.08055	6.1
123.11675	7.1
124.08495	4.5
127.03902	8.2
128.06206	4.7
129.05527	9.1
129.07037	30.6
130.07378	6.4
131.08586	34.3
132.08868	5.1
133.06500	7.8
133.10156	18.0
135.08055	7.4
135.11691	7.0
143.08562	16.3
144.08984	6.5
145.06520	7.0
145.10143	23.2
146.10406	3.9
147.08064	6.1
147.11720	33.4
148.08418	3.7
148.12064	6.3
149.13303	7.5
155.08537	8.9
157.10242	6.0
159.08035	5.8
159.11726	12.3
161.09570	5.3
161.13275	12.8
169.10098	7.9
171.08087	5.0
171.11684	15.1
172.12073	7.2
173.04558	8.3
173.13284	5.9
175.14758	4.5
177.12833	5.2
182.10533	3.9
185.13419	5.2
189.12782	11.0
207.13809	16.8
208.14203	7.7
223.14838	4.2
239.23781	4.1
240.24026	4.7
241.15793	4.0
249.25858	3.9
259.16870	4.5
269.15121	6.0
269.17749	4.6
270.15665	5.3
281.17551	11.1
282.17868	13.1
287.16376	12.8
288.16776	12.9
313.27362	55.1
314.27716	47.8
335.25803	14.7
361.20480	4.1
400.06332	4.6
425.21579	4.6
426.22501	5.3
519.40430	13.0
520.40759	54.6
529.39001	32.7
534.41937	5.0
600.42798	9.5
611.46228	12.2
664.42804	13.4
682.43842	51.6
683.43921	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	681.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40380	1.2
53.03942	3.2
53.20411	1.2
55.01883	3.4
55.05516	32.1
57.03433	4.5
57.07081	14.2
58.06598	1.4
65.03955	1.3
67.05510	23.4
69.07075	37.1
69.16805	9.6
69.17223	3.2
71.08637	10.7
79.05502	21.9
81.03416	1.9
81.07066	30.1
83.08624	26.2
84.63120	1.4
85.10211	3.9
91.05492	30.6
93.07053	23.2
95.04999	2.3
95.08611	20.0
96.82555	1.3
97.06554	2.7
97.10175	17.6
105.07041	33.4
107.08598	13.5
109.10171	9.5
111.08111	1.4
111.11737	3.4
113.00029	43.1
113.54268	1.2
115.05462	2.0
117.07042	13.3
119.08589	34.7
121.10145	12.9
123.08077	1.4
123.11684	2.4
125.13213	1.5
128.06209	1.5
128.51997	1.2
129.07013	9.6
130.07867	1.5
131.08575	25.6
133.10135	26.1
135.11694	9.3
141.06984	2.2
142.07840	1.7
143.08531	7.8
145.10133	20.0
147.11696	18.1
149.13254	5.2
155.08556	3.0
156.13969	1.3
157.10132	11.2
159.11726	17.8
161.09541	1.6
161.13261	19.5
163.14868	2.7
169.02635	17.2
169.10132	2.3
171.11728	9.9
173.13257	12.9
175.14792	9.6
183.11697	2.1
185.13322	6.5
187.03679	4.4
187.14893	2.8
189.12733	2.0
195.11664	1.4
197.13272	2.8
199.14771	5.9
201.16411	1.5
213.16417	2.3
215.17934	6.0
217.19437	6.6
229.19519	2.2
231.21136	4.8
237.22130	2.7
239.17986	8.0
241.19513	33.7
243.21072	2.1
257.19034	14.6
259.20593	31.0
273.18381	1.5
275.20169	1.9
276.07300	1.4
295.20663	1.8
311.25842	49.3
312.25925	1.3
313.21777	15.0
313.27332	14.3
315.23227	13.5
316.82635	1.4
331.22717	3.4
333.24265	8.6
354.57159	1.3
365.26935	1.8
395.71912	1.2
427.22552	3.7
445.23553	2.6
569.45721	100.0
570.45831	4.3
588.11951	1.3
681.50940	5.1
712.12769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97356	0.5
67.53802	0.5
69.07053	1.0
69.30025	1.0
69.30431	3.4
81.80997	0.5
94.06567	4.4
95.04955	0.6
97.06548	1.1
110.06054	1.2
112.07619	0.6
116.04986	0.8
120.67583	0.5
122.05202	0.8
122.06038	10.6
123.04427	0.5
124.07591	1.0
124.08494	0.5
136.07570	0.7
138.05424	0.7
140.07065	9.7
141.07880	0.5
144.04376	1.2
146.05995	5.3
149.07083	0.7
150.05479	1.1
152.07059	1.8
158.09645	1.0
160.07605	2.0
160.09993	0.7
162.09109	0.6
170.09676	0.8
172.03952	8.6
172.07594	0.6
173.04707	0.9
173.10733	0.6
174.05524	3.7
174.09084	0.6
175.08694	1.0
175.12305	0.6
184.07648	0.6
186.09142	5.2
187.08701	1.2
188.09390	1.3
189.10252	1.0
190.04941	0.6
196.07613	0.7
198.09183	1.1
200.07083	0.6
200.10710	1.7
201.10216	1.5
202.11024	3.1
203.11792	7.0
204.06558	14.1
206.08112	5.2
213.10185	1.6
214.08656	11.5
215.08153	3.9
216.08687	0.7
217.09760	1.0
217.13376	0.6
227.11821	1.6
228.10201	3.8
229.09708	2.6
230.10483	1.6
231.11273	5.0
241.09659	2.4
242.08121	2.3
243.11382	1.3
245.09221	2.2
245.12866	0.7
247.10838	0.9
255.11284	5.8
256.09760	3.5
257.09042	0.6
257.13013	1.5
258.09940	0.7
259.10794	78.2
260.11203	1.3
271.10718	1.7
273.12311	7.4
275.10229	0.6
283.10776	3.1
285.12320	1.2
287.10315	1.2
301.11850	64.0
302.12231	0.9
306.34235	0.5
313.11844	6.5
319.12903	100.0
320.13318	1.5
331.12891	0.7
335.12427	1.6
337.13956	19.5
339.09387	0.5
345.14386	3.8
452.93057	0.5
468.17432	0.5
505.18478	1.7
508.17288	1.1
523.19586	1.2
645.25482	0.8
663.26617	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	680.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
53.86378	5.8
55.01878	7.5
55.05513	36.6
57.03440	11.5
57.07066	8.9
61.72016	6.7
61.77303	5.9
66.30357	5.0
67.05508	83.3
67.57781	5.7
69.07060	24.6
71.08640	28.4
71.51580	10.5
74.09716	5.5
79.05493	79.3
81.03423	14.8
81.07057	100.0
81.66995	5.5
83.04999	14.4
83.08617	22.4
85.08022	5.9
91.05476	55.5
93.07043	88.8
95.04974	15.7
95.08615	67.3
97.06551	11.3
97.10155	10.4
99.08096	21.6
100.11253	8.7
101.22305	6.7
105.07056	34.3
107.04963	7.2
107.08614	53.2
109.06563	5.7
109.10149	27.7
112.10395	5.0
113.09604	7.0
117.07043	14.5
119.08578	30.4
121.10136	37.8
125.02280	6.2
129.06960	8.2
130.29634	5.8
131.08575	19.7
133.10121	28.0
135.08022	6.8
135.11691	34.7
143.08640	10.5
145.10118	13.2
147.11682	13.4
149.13266	11.9
151.11121	11.3
157.10178	8.7
159.11690	14.4
161.13281	14.2
163.11249	7.8
169.02872	6.4
175.14854	8.8
179.14343	68.0
185.13322	8.0
187.14804	6.0
206.90115	6.0
248.87317	6.1
264.14963	6.5
277.21744	32.2
335.25861	25.2
337.27460	8.2
351.25314	26.9
411.00458	6.2
545.38306	13.8
611.46503	25.8
680.50952	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	680.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
53.86378	5.8
55.01878	7.5
55.05513	36.6
57.03440	11.5
57.07066	8.9
61.72016	6.7
61.77303	5.9
66.30357	5.0
67.05508	83.3
67.57781	5.7
69.07060	24.6
71.08640	28.4
71.51580	10.5
74.09716	5.5
79.05493	79.3
81.03423	14.8
81.07057	100.0
81.66995	5.5
83.04999	14.4
83.08617	22.4
85.08022	5.9
91.05476	55.5
93.07043	88.8
95.04974	15.7
95.08615	67.3
97.06551	11.3
97.10155	10.4
99.08096	21.6
100.11253	8.7
101.22305	6.7
105.07056	34.3
107.04963	7.2
107.08614	53.2
109.06563	5.7
109.10149	27.7
112.10395	5.0
113.09604	7.0
117.07043	14.5
119.08578	30.4
121.10136	37.8
125.02280	6.2
129.06960	8.2
130.29634	5.8
131.08575	19.7
133.10121	28.0
135.08022	6.8
135.11691	34.7
143.08640	10.5
145.10118	13.2
147.11682	13.4
149.13266	11.9
151.11121	11.3
157.10178	8.7
159.11690	14.4
161.13281	14.2
163.11249	7.8
169.02872	6.4
175.14854	8.8
179.14343	68.0
185.13322	8.0
187.14804	6.0
206.90115	6.0
248.87317	6.1
264.14963	6.5
277.21744	32.2
335.25861	25.2
337.27460	8.2
351.25314	26.9
411.00458	6.2
545.38306	13.8
611.46503	25.8
680.50952	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	680.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
54.54107	4.0
55.05520	27.3
57.03423	12.5
57.07065	10.7
58.59401	4.1
58.98888	4.1
62.03412	3.6
63.70310	3.7
67.05176	6.1
67.05507	80.0
69.07074	21.9
70.46112	7.6
70.46516	7.3
71.08632	44.5
71.62252	4.5
79.05498	76.0
81.03413	16.1
81.06590	7.2
81.07058	100.0
83.04967	15.5
83.08640	22.6
85.06560	6.7
90.24689	4.0
91.05486	53.7
93.06494	6.4
93.07043	87.1
95.04945	13.3
95.08615	50.7
97.06537	10.7
97.10138	11.0
99.08079	36.3
105.07037	34.0
107.04935	8.1
107.08601	46.5
109.10139	15.1
110.44145	4.1
111.08061	5.4
117.06985	10.8
119.08592	26.9
121.06506	5.1
121.10135	36.3
125.09629	6.2
131.08548	17.4
133.10118	23.9
135.08038	5.0
135.11684	35.5
137.09605	5.0
143.08531	7.4
145.10117	9.8
147.11688	11.0
149.09514	4.8
149.13246	12.4
151.11223	20.4
157.10114	5.0
159.11671	6.5
161.13240	15.3
163.11137	14.6
166.69241	4.4
171.11617	5.8
173.13216	4.7
177.12740	8.1
179.14305	80.5
194.98494	3.9
195.13838	8.2
213.14888	4.2
223.83000	4.1
227.12688	5.9
235.16983	6.0
251.16324	5.4
259.20587	8.2
269.17508	24.5
277.21643	87.8
292.52078	5.2
293.21295	20.2
335.25797	5.7
351.25314	58.0
367.24686	7.0
545.38263	83.3
546.38702	4.8
606.42786	5.1
627.46362	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.6
54.12181	5.2
55.05513	42.4
57.03440	14.2
61.66236	5.4
65.94823	4.1
67.05178	8.8
67.05505	100.0
69.06746	5.2
69.07066	37.4
69.27910	17.5
69.28333	23.6
79.05495	71.2
81.07056	78.1
83.04962	10.1
83.08611	20.9
91.05482	54.1
93.07047	79.1
95.04951	12.4
95.08603	57.8
97.06545	7.0
97.10140	8.2
105.04579	5.6
105.07034	56.1
107.04938	4.5
107.08586	54.8
107.18291	4.4
109.10169	33.3
109.60619	4.6
111.08080	5.8
114.90461	5.0
115.00378	4.7
117.07014	16.5
119.08593	45.5
121.10145	26.1
123.08054	6.9
123.11703	8.4
129.06987	8.6
131.08546	22.3
133.10123	25.7
135.08096	6.6
135.11716	18.0
143.08588	11.2
144.81995	4.9
145.10107	34.3
147.11673	19.1
149.13272	12.5
157.10147	9.5
159.11678	15.3
161.13202	10.7
171.11742	6.6
173.13268	9.4
175.14870	8.1
195.11626	5.0
197.72557	5.0
229.14423	17.3
241.19667	6.0
247.67471	5.3
259.20642	16.9
261.22195	8.1
269.17493	20.2
275.20151	8.3
333.24225	15.6
335.25851	43.7
349.23535	10.2
369.26468	5.3
489.35577	15.4
527.37317	28.2
529.38898	16.0
609.45007	10.7
627.46667	11.4
662.03986	5.8
681.43036	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	680.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.05512	41.2
57.03427	14.9
57.07065	6.6
65.03946	5.1
67.05178	7.5
67.05509	95.0
69.03443	4.4
69.07059	32.2
69.31752	20.3
69.32178	18.3
71.08640	7.4
79.05498	84.2
81.03408	5.2
81.07063	100.0
83.04945	5.5
83.08615	18.3
91.05487	82.6
93.07048	80.1
95.04980	8.7
95.08617	70.1
97.06554	7.4
97.10158	14.0
99.08105	7.0
105.07036	61.3
107.08593	47.1
107.96667	4.2
109.06538	5.1
109.10165	30.7
115.05476	4.9
115.10638	4.3
117.07032	32.9
119.08586	45.7
121.10167	29.4
128.06183	4.8
129.06999	21.5
131.08572	45.2
133.10124	31.3
133.20163	4.4
135.11691	17.2
143.08575	17.0
145.10168	23.3
147.11673	22.2
149.13248	19.0
151.11208	5.0
155.08546	6.9
157.10185	19.4
159.11667	21.4
161.13260	13.7
163.11137	5.0
163.14764	5.3
169.10095	11.3
171.11641	15.7
173.13219	10.9
173.99840	5.6
175.14838	4.8
185.13234	7.3
187.14841	5.2
199.14848	6.7
211.14734	5.0
213.16397	8.5
215.17918	5.6
225.16321	4.7
241.19580	10.9
259.20593	13.7
261.22232	6.7
279.93909	4.1
293.21097	20.2
294.52505	4.3
306.58206	4.1
317.25037	5.7
335.25793	14.2
519.42072	4.7
527.37451	6.8
611.46735	24.3
627.46204	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	678.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20218	3.0
51.54608	3.4
53.03941	7.5
55.01879	5.8
55.05513	37.1
57.03442	14.6
57.07070	8.8
67.05511	83.9
69.03414	5.1
69.07077	40.5
69.32429	28.1
70.06574	5.0
71.04991	8.3
71.08641	37.0
71.13226	2.7
76.10825	3.2
79.05501	63.3
81.03416	16.2
81.07061	100.0
83.04967	11.1
83.08631	18.9
85.06545	4.1
85.10193	5.1
86.09727	4.3
91.05485	55.8
93.07052	76.9
95.04955	13.1
95.08610	56.2
97.06518	12.5
97.10162	10.2
99.08094	23.8
105.04559	3.4
105.07045	48.4
107.04951	10.4
107.08599	42.5
109.06524	7.2
109.10168	24.8
111.08120	4.2
116.06286	4.0
116.07101	8.6
117.07027	14.9
119.08591	23.6
121.06520	5.6
121.10174	28.0
123.08055	5.7
123.11706	10.0
124.97224	3.1
125.09631	4.8
129.06979	7.5
131.08580	19.2
133.10176	30.6
134.94321	3.1
135.11693	28.5
137.09576	5.0
143.08553	7.6
145.10097	18.0
147.11719	18.1
149.09648	4.7
149.13246	13.6
151.11221	9.2
155.08588	4.3
157.10173	5.2
159.11713	12.3
161.13260	17.3
163.11131	9.2
167.06259	2.9
171.11615	4.6
173.13319	7.6
175.11142	4.6
177.12770	7.8
179.14331	70.8
182.97427	3.2
184.07288	21.5
187.14880	5.7
203.68484	3.3
207.13931	3.4
213.19612	3.0
231.21370	3.1
241.19481	5.0
243.15898	9.2
259.20575	12.6
275.19980	18.7
277.21649	45.9
293.21112	62.6
298.51868	2.7
313.27408	11.5
333.24353	7.6
335.25806	4.2
349.23825	4.3
351.25497	21.3
367.24869	9.7
412.00183	3.2
481.38852	10.8
543.36633	5.9
545.38458	7.6
575.25653	3.2
603.25867	3.5
609.45471	15.1
635.28253	9.0
636.62939	3.0
643.35498	4.6
643.45721	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77743	3.6
53.03949	7.6
55.01875	9.7
55.05518	31.6
56.60984	3.8
57.03437	14.3
57.07076	9.4
57.85358	3.7
59.80310	3.4
60.08154	4.3
67.05513	100.0
69.07078	29.5
69.17565	8.0
69.17971	27.7
71.05002	7.0
71.08636	13.0
79.05065	6.5
79.05499	76.9
81.03423	10.9
81.07064	90.9
83.04994	9.7
83.08621	18.3
84.12586	3.5
85.06523	4.7
86.09727	17.0
91.05493	78.8
93.06486	5.2
93.07059	87.2
95.04974	16.4
95.08616	58.5
97.06562	18.3
97.10166	5.1
98.98472	5.9
99.08099	10.5
105.07047	74.3
105.07755	2.7
107.04942	7.9
107.08601	52.1
109.06524	11.2
109.10178	39.8
111.08108	4.5
115.07565	4.7
117.07025	15.3
119.08605	43.0
121.06492	5.7
121.10168	29.0
123.08083	10.6
123.11717	12.4
125.00024	9.7
125.09626	4.4
127.55225	3.8
129.07018	11.0
131.08580	31.3
133.10161	50.1
135.08095	5.1
135.11713	22.9
137.09645	6.7
141.07077	3.6
143.08583	11.6
145.10223	20.1
147.08028	5.5
147.11754	21.5
149.13264	12.6
151.11177	16.4
156.09355	4.4
157.10168	5.3
159.11705	15.6
161.09694	5.8
161.13315	17.3
163.11174	8.0
163.14839	7.3
171.11688	11.7
173.13280	11.5
175.11241	4.2
175.14903	5.5
177.12692	3.9
179.14322	10.5
183.11700	4.4
184.07349	53.9
185.13232	10.7
187.14990	4.9
196.62726	3.5
211.14957	4.0
231.20955	3.4
241.19612	6.8
243.21089	8.0
253.14359	29.9
259.20551	17.5
261.22229	8.7
273.18524	4.4
275.20090	16.3
277.21606	11.9
293.21234	21.8
315.23352	4.3
333.24289	22.6
335.25778	20.1
337.27182	4.0
347.21866	4.8
351.25418	7.7
365.23248	6.3
367.24872	12.9
506.39291	7.7
513.35779	5.2
531.36725	5.2
611.46893	22.6
625.44501	14.7
643.45355	14.1
678.46313	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	678.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49096	6.0
55.05510	76.0
57.03441	18.2
67.05511	98.0
69.03402	8.2
69.07068	27.3
71.04965	8.7
79.05492	100.0
81.03398	13.3
81.07053	76.0
83.04967	12.4
83.08620	47.3
91.05482	74.2
93.07042	79.9
95.08614	46.7
97.10168	43.7
105.07034	80.7
107.08588	77.6
109.10144	30.6
117.07014	23.7
118.03592	6.1
119.08582	58.3
121.10150	21.4
123.11704	18.2
125.09618	44.5
128.06158	6.5
129.06998	26.0
131.08553	28.9
132.25928	5.9
133.10144	45.2
135.08086	6.6
135.11710	18.3
143.08559	23.2
145.10165	34.5
147.11732	37.0
149.09668	7.9
149.13330	8.7
153.07021	6.9
155.08534	12.7
157.10121	22.2
159.11688	25.4
161.13249	16.4
167.08572	7.4
169.10152	21.4
171.11702	26.1
173.13301	15.5
175.14848	11.2
183.11676	17.4
185.13307	17.1
187.13274	13.5
187.14777	7.4
189.11209	22.4
195.11757	11.7
197.13234	9.2
199.14813	13.6
201.16360	8.5
211.14862	7.7
213.16394	9.8
225.16411	9.5
227.12770	61.5
229.19531	7.9
237.16528	7.3
239.18073	6.9
241.19524	8.2
243.15825	10.2
257.19022	7.4
259.20560	26.7
260.60553	6.9
275.19968	12.6
333.24387	14.7
349.23868	10.3
358.21109	8.9
363.26666	9.2
365.28265	18.0
503.33533	10.2
515.38495	12.5
533.39685	9.6
607.43335	49.9
625.36218	7.2
625.44788	87.4
706.79822	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	678.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	14.6
55.05505	33.9
57.03443	14.9
67.05508	100.0
69.07063	18.5
73.59883	8.2
79.05489	71.5
81.07053	75.5
83.04981	8.4
83.08620	16.3
91.05482	75.5
93.07037	75.7
95.08616	59.7
97.06555	13.9
105.07014	81.9
107.08591	41.0
109.06533	10.3
109.10143	18.1
115.05412	9.9
117.07017	25.2
119.08585	56.6
121.10139	22.1
129.07025	22.5
131.08569	43.3
131.39487	7.9
133.10152	39.4
135.11700	20.4
143.08572	18.9
145.10080	38.8
147.11693	28.6
149.13261	17.0
155.08553	13.4
157.10147	20.2
159.11710	21.0
161.13232	18.0
169.10112	14.9
171.11682	14.7
173.13199	15.9
183.11742	12.5
184.07344	17.6
199.14830	11.2
255.15881	11.9
259.20456	31.6
275.20197	13.3
333.24258	24.3
513.35590	10.5
515.37775	12.4
527.37225	19.8
529.24231	8.5
607.43604	14.7
625.45099	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	678.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20218	3.0
51.54608	3.4
53.03941	7.5
55.01879	5.8
55.05513	37.1
57.03442	14.6
57.07070	8.8
67.05511	83.9
69.03414	5.1
69.07077	40.5
69.32429	28.1
70.06574	5.0
71.04991	8.3
71.08641	37.0
71.13226	2.7
76.10825	3.2
79.05501	63.3
81.03416	16.2
81.07061	100.0
83.04967	11.1
83.08631	18.9
85.06545	4.1
85.10193	5.1
86.09727	4.3
91.05485	55.8
93.07052	76.9
95.04955	13.1
95.08610	56.2
97.06518	12.5
97.10162	10.2
99.08094	23.8
105.04559	3.4
105.07045	48.4
107.04951	10.4
107.08599	42.5
109.06524	7.2
109.10168	24.8
111.08120	4.2
116.06286	4.0
116.07101	8.6
117.07027	14.9
119.08591	23.6
121.06520	5.6
121.10174	28.0
123.08055	5.7
123.11706	10.0
124.97224	3.1
125.09631	4.8
129.06979	7.5
131.08580	19.2
133.10176	30.6
134.94321	3.1
135.11693	28.5
137.09576	5.0
143.08553	7.6
145.10097	18.0
147.11719	18.1
149.09648	4.7
149.13246	13.6
151.11221	9.2
155.08588	4.3
157.10173	5.2
159.11713	12.3
161.13260	17.3
163.11131	9.2
167.06259	2.9
171.11615	4.6
173.13319	7.6
175.11142	4.6
177.12770	7.8
179.14331	70.8
182.97427	3.2
184.07288	21.5
187.14880	5.7
203.68484	3.3
207.13931	3.4
213.19612	3.0
231.21370	3.1
241.19481	5.0
243.15898	9.2
259.20575	12.6
275.19980	18.7
277.21649	45.9
293.21112	62.6
298.51868	2.7
313.27408	11.5
333.24353	7.6
335.25806	4.2
349.23825	4.3
351.25497	21.3
367.24869	9.7
412.00183	3.2
481.38852	10.8
543.36633	5.9
545.38458	7.6
575.25653	3.2
603.25867	3.5
609.45471	15.1
635.28253	9.0
636.62939	3.0
643.35498	4.6
643.45721	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
53.59410	0.9
55.01863	1.3
55.05523	1.3
57.03434	3.7
58.98040	0.9
66.19680	0.9
67.05501	1.4
68.99807	1.5
71.05003	19.0
71.42740	2.3
73.02915	0.9
79.05486	2.5
81.07060	8.8
84.04522	2.2
85.02433	1.9
85.02911	20.7
91.05497	1.6
95.04974	2.2
95.08617	4.2
103.05488	0.9
105.04486	1.3
105.07039	2.7
119.04919	1.9
121.06541	1.7
123.04440	100.0
123.08068	2.0
127.03919	1.5
129.05487	5.0
133.02858	1.1
133.06519	1.3
135.04433	2.9
137.02330	2.0
137.05975	1.2
139.03917	13.9
147.04424	3.5
149.06015	1.2
151.03932	8.0
153.01817	0.9
161.02362	1.3
161.06009	3.4
163.03918	6.3
163.07582	2.8
165.01855	27.3
165.05502	6.5
165.06688	0.9
165.09106	2.5
168.48877	1.1
177.01862	2.1
177.05515	3.2
179.03413	3.2
183.02870	7.8
185.05835	1.0
187.03928	1.3
189.05446	2.1
191.03413	3.8
193.08615	3.6
203.03532	1.2
205.08636	1.6
207.02873	1.2
207.10126	9.4
209.08141	2.1
211.09731	5.3
215.06996	1.5
219.10138	8.3
225.05510	1.1
231.06584	4.2
233.08122	24.3
243.06578	3.1
249.07599	10.2
257.04062	1.3
258.05151	1.1
269.08237	1.4
271.06049	5.6
273.07568	4.2
287.09128	1.3
289.07462	0.9
290.28168	1.0
299.05536	3.6
299.08966	1.7
311.12750	5.4
317.06595	11.2
339.12329	19.1
347.18808	0.9
367.07169	1.4
367.11786	24.6
368.12445	1.1
371.14899	4.0
385.12863	92.5
386.13144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01876	11.4
55.05515	34.1
57.03437	10.2
66.82206	3.7
67.05181	6.8
67.05508	83.4
69.03448	6.7
69.07078	35.0
69.07434	5.5
70.46053	12.2
71.04964	7.2
71.08624	12.9
78.42136	3.5
79.05070	5.9
79.05494	76.5
81.03413	11.6
81.07059	100.0
83.04981	15.0
83.08620	18.9
83.77075	3.9
85.02944	4.1
85.10179	4.8
86.09708	14.0
91.05489	69.2
93.07049	97.6
95.04958	11.8
95.08607	54.2
97.06532	9.9
97.10180	11.0
98.98461	5.7
99.08106	10.6
99.74026	4.0
105.07037	51.4
107.04967	12.1
107.08598	60.3
109.06522	7.7
109.10169	27.4
111.08112	5.8
114.58590	4.0
115.05412	4.4
117.07041	24.4
119.08585	39.5
121.10162	28.8
123.11729	6.7
124.99996	13.7
125.09644	6.4
127.11119	3.9
129.07013	12.6
131.08569	26.7
133.10130	30.2
135.08070	5.0
135.11681	30.7
137.09628	5.5
143.08560	7.7
145.10175	27.7
147.08173	5.4
147.11711	22.7
149.09615	6.7
149.13251	16.2
151.11217	8.9
155.08609	4.6
157.10106	6.5
159.11728	19.7
161.13246	9.8
162.52704	4.0
163.11223	7.9
171.11694	12.9
173.13206	10.6
179.14296	35.3
184.07350	56.4
195.11763	4.4
215.14304	5.6
229.14307	5.0
241.19534	6.3
255.16064	5.0
259.20547	9.2
269.17487	11.6
275.19980	19.3
277.21750	30.5
293.21130	7.6
333.24408	6.2
335.26071	10.4
343.13013	4.3
349.23749	16.7
351.25330	17.8
527.36853	5.0
531.36896	7.6
543.36719	8.8
545.38702	31.4
625.44220	14.2
678.47577	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	678.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.7
55.01847	5.9
55.05510	52.9
56.40358	5.7
57.03437	14.5
66.99018	5.8
67.05508	97.8
69.07073	44.8
69.91858	15.2
69.92249	13.2
72.91846	5.7
79.05135	7.4
79.05505	77.5
81.07063	96.6
83.04961	11.9
83.08616	24.1
86.09717	10.7
91.05484	100.0
93.07059	88.5
95.04985	16.9
95.08611	63.0
97.06546	8.4
97.10182	8.5
105.07043	84.9
107.08596	71.9
109.06503	10.4
109.10175	31.6
109.26261	7.1
111.08121	6.2
117.07003	36.9
119.08579	64.3
121.10187	31.3
122.52091	6.0
123.08050	9.5
125.09621	7.6
129.07005	24.2
131.08577	50.1
133.10135	43.6
135.11708	15.7
137.83058	7.2
141.06876	8.8
142.81096	6.4
143.08609	28.6
145.10115	42.5
147.11737	36.4
149.12064	7.0
149.13277	17.8
155.08562	10.1
157.10149	27.0
159.11716	25.5
161.13275	20.8
169.10156	12.4
171.11740	23.1
173.13281	14.5
181.10146	9.8
183.11757	11.2
184.07379	19.2
185.13258	19.8
197.13248	8.9
199.14839	10.0
225.16583	9.2
251.17867	6.6
259.20584	22.6
291.19724	7.5
293.21210	12.1
315.23053	8.3
333.24258	16.9
609.45013	25.8
625.44904	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	678.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03936	1.4
55.01876	1.4
55.05502	1.4
57.03433	2.6
57.51971	0.5
65.03967	0.8
67.05505	2.0
68.99797	3.1
69.07054	0.9
71.01343	0.6
71.04999	13.5
71.05380	1.2
76.02218	1.1
77.03895	0.8
79.05483	2.1
81.03392	0.9
81.07060	9.7
83.04973	0.9
84.04495	2.8
85.02909	14.3
91.05469	2.3
93.03378	0.7
93.07065	1.2
95.04959	1.6
95.08606	2.9
105.03354	1.3
105.07017	0.7
107.04973	1.3
109.02890	1.7
109.10142	1.2
111.04470	0.6
117.06988	0.7
119.04941	5.5
121.06495	1.6
123.04433	100.0
123.08072	2.1
124.04774	2.9
125.02332	0.8
127.03940	0.7
129.05495	3.1
130.05008	1.7
131.08577	1.0
133.06468	0.7
135.04456	2.8
135.08003	0.7
137.02367	2.2
137.05988	1.3
139.03908	10.0
140.04369	0.6
141.01842	0.8
145.10118	0.7
147.03242	1.1
147.04416	18.4
147.06497	0.8
147.07607	1.4
149.02336	0.8
149.05974	1.9
149.09662	0.7
151.03908	74.9
152.04205	0.7
159.04378	0.8
161.02322	0.8
161.06050	2.8
163.03934	5.5
163.07588	2.4
163.99649	0.6
165.01837	19.1
165.05479	12.9
165.06850	0.7
165.09128	1.3
166.02133	0.8
167.07082	1.4
173.34586	0.7
175.03900	0.8
175.07555	1.2
177.01892	1.8
177.05458	5.5
177.09100	1.3
179.03404	2.3
179.04828	0.9
179.06964	0.6
181.04945	1.0
183.02882	5.2
187.03876	1.3
189.05533	1.9
191.03383	2.3
191.07082	0.8
193.04950	0.7
193.08615	0.8
195.02925	1.0
195.10220	1.4
197.05937	0.8
201.09172	1.8
205.08691	0.8
207.06560	1.6
207.10167	7.4
209.08060	0.6
211.09650	1.1
215.07030	1.6
219.10168	81.5
220.10492	1.4
229.08521	1.1
231.06564	2.0
231.10011	0.7
233.08066	19.0
234.08519	1.0
239.06859	0.7
243.06540	1.6
249.07616	5.5
249.11339	1.0
251.09171	1.2
251.28838	0.6
253.21860	0.6
257.04523	1.6
269.08188	0.8
271.05988	3.9
297.07416	1.0
299.05502	3.9
303.08670	1.8
308.09091	1.6
311.09326	1.0
311.12720	3.5
312.12784	0.6
317.06543	8.0
339.12283	12.2
339.16260	1.0
340.12482	1.0
343.08035	0.7
353.14276	0.7
361.97458	0.6
367.11768	15.0
368.12225	1.4
371.14908	49.9
372.15436	1.2
385.12823	74.0
386.13187	8.4
435.57681	0.6
476.38385	0.7
654.92358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62695	1.1
52.55933	0.9
55.01874	2.0
55.05503	2.4
56.15731	0.9
57.03431	3.3
67.05489	2.9
68.99789	2.4
69.03422	1.9
70.64603	2.9
71.04997	17.1
77.05768	0.9
79.05476	3.0
81.03407	1.8
81.07055	10.2
82.07214	1.0
83.04988	0.9
84.04482	3.6
85.02440	1.3
85.02908	17.8
86.09695	1.4
91.05472	2.2
93.03380	1.3
95.04926	1.6
95.08590	4.0
96.01562	0.9
97.02908	0.9
97.06522	1.3
99.03731	0.9
105.03391	1.6
107.08560	1.4
111.04440	2.1
117.06985	1.2
119.04955	1.4
119.08547	1.2
121.06518	1.4
123.04436	93.5
123.08027	1.4
124.04765	3.0
124.69955	0.9
127.03912	2.2
127.23456	0.9
129.05486	2.5
130.05000	1.8
135.04440	2.4
137.02357	1.4
137.05937	1.6
139.03923	11.1
141.48148	1.0
143.53810	1.1
147.04398	1.1
147.07674	2.3
148.06140	2.1
151.03888	3.0
161.02368	1.5
161.05989	2.7
163.03931	5.9
163.07564	2.3
165.01845	27.2
165.05524	2.9
166.02271	1.0
167.07057	3.0
175.03880	2.2
177.01808	2.6
177.05484	1.2
179.03397	3.0
183.02890	6.9
187.03949	1.8
191.03387	2.4
191.07045	1.4
197.05954	1.4
201.08861	1.0
203.03415	1.5
205.08511	1.0
207.02959	2.0
207.10197	10.5
209.08052	1.1
211.09604	1.8
215.06981	1.3
225.05336	1.6
225.08965	1.0
229.08447	1.2
231.06436	2.7
233.08090	23.4
240.07776	1.1
243.06409	2.0
249.07558	11.5
251.06992	1.1
255.06467	1.8
257.04297	1.3
269.08179	1.8
271.06174	5.6
299.05450	6.2
311.12741	5.1
317.06558	11.1
327.12024	1.3
339.12314	21.4
340.12613	1.4
359.14825	8.7
367.07098	1.5
367.11765	28.3
368.12003	1.7
385.12839	100.0
386.13242	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	677.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01881	0.7
55.05510	2.3
56.83552	0.3
57.03436	1.7
61.02930	3.0
66.53876	0.4
66.96064	0.4
67.05508	6.3
69.03434	2.0
69.07072	1.6
71.04964	0.6
73.02930	2.5
79.05490	5.2
81.03416	2.4
81.07057	7.2
82.07366	0.6
83.04995	1.0
83.08627	1.2
85.02910	2.9
85.06578	0.4
87.04505	0.5
91.03963	1.5
91.05495	3.4
91.18035	0.5
92.05826	0.4
93.07044	6.2
95.04984	2.1
95.08611	2.8
97.02886	3.0
97.06525	1.0
97.10165	0.7
98.21565	0.7
99.04464	0.9
101.02378	1.3
105.07030	3.6
107.04965	0.6
107.08604	2.7
109.02903	0.4
109.06503	0.9
109.10162	1.0
117.07024	1.1
119.08606	1.8
121.06492	0.8
121.10138	1.5
123.08079	0.6
124.32647	0.4
127.03933	1.1
129.07036	0.7
131.08571	0.9
133.10135	1.6
135.11742	0.6
143.08553	0.5
147.11688	0.9
149.13293	1.7
159.11708	1.1
161.13300	0.4
171.11710	1.3
177.12772	0.6
195.13695	0.4
235.13116	1.1
243.08473	1.8
247.13103	0.8
269.17883	0.4
453.20972	7.2
465.20999	6.5
466.21191	0.5
480.81949	0.4
659.45007	0.5
677.35071	100.0
678.35297	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	678.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03950	1.2
53.80609	0.5
55.01882	1.4
55.05506	0.8
57.03434	1.7
60.24116	0.6
66.42757	0.5
67.05496	1.6
68.99796	2.3
69.03439	0.6
70.06593	1.1
70.67519	1.6
71.04995	11.2
71.16389	0.6
71.68549	0.5
75.04458	0.5
76.02210	1.9
77.03928	0.9
79.05500	3.6
81.03445	1.2
81.07056	7.0
82.80262	0.6
83.04937	0.7
84.04497	3.1
85.02910	11.3
91.05480	2.2
93.07025	1.1
95.04961	1.8
95.08607	4.3
105.03397	1.2
105.06981	0.7
107.04977	0.9
107.08604	0.7
109.02869	2.3
109.10150	1.7
111.04437	0.7
111.05592	0.6
117.06971	0.6
119.04943	6.4
121.06512	1.5
123.04430	88.8
123.08035	1.5
124.04747	2.9
125.02361	0.8
127.03951	1.0
129.05487	1.7
130.05016	2.6
130.06873	0.9
133.02823	0.7
135.04433	2.5
137.02362	1.5
137.05968	2.1
139.03900	7.5
145.10135	0.7
147.04408	22.6
147.07651	2.1
149.05939	3.1
151.03905	91.4
152.04213	0.7
161.02484	0.7
161.05995	3.1
163.03889	5.6
163.07489	2.7
164.45551	0.5
165.01836	17.9
165.05487	13.0
166.02165	0.7
167.07053	1.1
175.03868	1.0
177.01799	1.4
177.05492	7.8
177.09065	1.3
179.03378	1.4
179.06970	1.0
180.89684	0.6
181.04967	1.0
183.02876	3.7
189.05461	1.9
191.03372	2.2
191.07065	0.8
191.10666	0.5
193.04941	0.8
195.02898	1.0
201.09019	1.5
203.03363	0.7
205.08621	0.8
207.06519	1.5
207.10152	7.3
209.08084	0.7
211.09508	0.6
215.07130	0.9
219.10164	100.0
220.10445	2.0
231.06560	2.4
231.10092	1.0
233.04410	0.7
233.08061	13.9
234.08360	1.9
243.06557	1.8
249.07605	6.8
249.11284	1.6
255.06535	0.7
257.07925	1.0
258.05139	1.1
269.07996	0.9
271.06012	4.0
297.07480	0.9
299.05569	2.9
303.08582	2.2
303.67343	0.7
308.08984	1.5
310.76398	0.6
311.12814	4.0
317.06543	7.4
318.06735	0.8
325.06918	0.7
339.12280	11.8
340.12564	1.4
343.07941	0.6
353.14120	0.7
367.11816	11.8
368.12000	2.0
371.14902	60.7
372.15137	1.7
385.12802	55.0
386.13162	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	677.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03931	1.2
55.01870	5.1
55.05511	1.9
57.03439	1.1
65.03920	1.5
67.05489	2.7
68.99791	2.9
70.63586	2.6
73.27379	1.0
79.05492	2.1
81.03414	2.3
81.07057	1.2
83.39227	1.1
91.05471	2.5
93.03407	1.2
93.06997	1.1
95.04951	3.1
97.06522	2.1
100.48308	1.0
105.07036	1.4
107.04933	4.0
109.02825	1.1
109.06509	1.2
111.00792	1.9
111.04424	4.1
117.03403	1.6
119.04855	1.3
123.04430	49.3
125.05947	1.3
127.03927	17.1
129.07001	1.1
131.04890	1.9
133.06482	1.2
135.04427	54.3
136.04855	1.2
137.06004	3.4
139.03908	100.0
140.04225	3.4
143.05864	1.1
145.06500	1.0
147.04417	7.8
149.05946	2.7
151.03896	10.3
152.07094	1.1
153.01848	2.5
159.04422	2.1
161.06012	3.1
163.03909	60.7
164.04225	2.2
165.04184	1.5
165.05493	20.7
165.09184	1.7
173.06032	1.7
175.03857	4.2
175.07497	1.3
177.05479	4.7
179.03415	8.4
179.07063	2.1
181.08595	38.3
185.06026	2.4
187.03937	4.6
187.07581	1.7
189.05461	3.0
189.09099	1.0
191.03358	2.8
193.04976	2.6
193.08607	2.8
197.05978	2.8
200.04990	1.0
201.05447	3.3
203.03380	5.3
205.05032	2.2
205.08713	1.2
206.09117	1.0
207.10156	8.0
211.07410	1.2
213.05508	5.1
215.03487	2.3
215.06996	1.7
217.04968	2.7
217.08592	1.9
219.10092	1.7
221.08060	1.5
225.11206	16.6
226.06319	0.9
227.07085	2.0
229.04976	6.1
229.08527	1.2
235.02443	1.6
237.05510	2.1
237.11195	1.5
241.04965	5.0
243.06345	1.8
243.10300	1.5
245.04500	5.1
245.11752	2.6
247.05974	3.2
251.07045	1.1
253.04832	1.2
255.06441	5.4
255.96890	1.0
257.04413	3.5
258.04700	1.4
259.06021	7.3
265.05029	1.9
265.10751	1.5
269.04465	7.6
269.07187	1.2
270.05167	1.8
271.06012	10.9
271.09552	2.7
273.07504	2.8
275.05487	1.2
281.04443	2.0
283.06033	19.9
283.09351	1.5
287.05536	3.1
287.08749	1.1
289.07040	4.2
291.08597	1.4
295.05969	1.3
297.07657	2.2
297.11206	2.1
299.05463	11.0
299.09109	2.9
301.07034	16.7
301.10666	8.2
309.07523	1.4
311.05380	3.7
311.09113	10.5
311.12622	1.4
313.06985	5.2
313.10660	7.4
323.08990	2.3
325.06958	3.0
325.10678	13.6
327.08673	8.0
327.12070	2.2
337.10675	4.1
337.14334	1.1
339.12289	1.2
341.10123	6.6
341.13846	1.6
343.11774	39.3
345.13336	11.9
351.12424	2.4
353.10147	2.1
355.11777	23.2
367.11804	12.7
369.13385	18.7
373.12860	9.1
379.11462	1.5
385.12805	3.0
387.14371	18.9
397.12900	1.2
409.09167	1.2
411.10571	5.1
421.09152	2.8
447.10507	1.7
453.03238	1.0
463.13876	17.1
475.13586	3.0
481.15048	3.2
489.15579	13.2
507.16541	19.5
525.17517	5.6
588.36676	1.2
597.16846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01867	5.1
55.05517	5.8
57.03430	2.2
67.01885	1.0
67.05506	3.9
68.66122	0.9
68.99792	3.0
71.05003	1.4
76.22099	0.9
79.05515	2.3
79.92699	0.9
81.03421	1.2
81.07098	1.2
86.22378	1.0
89.03918	1.7
91.05482	1.5
93.07026	1.1
93.62146	0.9
95.04959	3.1
95.08615	1.4
97.02920	1.5
97.06546	3.4
98.21516	2.4
103.05508	1.6
105.07029	2.4
107.04965	4.2
109.02826	1.2
109.10102	1.3
111.00822	1.1
111.04437	2.4
119.04935	1.3
121.02821	1.3
123.04437	35.4
123.08057	1.7
127.03928	44.1
128.04262	1.2
131.04961	2.6
135.04434	51.2
137.05978	3.1
139.03911	100.0
139.11203	1.2
140.04234	2.1
141.09154	1.1
144.05687	0.9
147.04401	6.0
148.05145	1.1
149.06006	4.3
149.66063	1.1
151.03941	5.2
153.05515	1.6
159.04434	3.4
161.05998	3.8
163.03917	68.5
163.07547	1.6
164.04375	2.2
165.05499	19.0
165.09129	1.9
167.03352	0.9
171.07993	1.3
173.05995	2.6
175.03909	3.1
175.07545	1.6
177.05508	6.3
179.03413	13.8
179.07028	2.6
181.08606	74.1
185.05956	1.9
187.03857	6.9
187.07597	1.6
189.05453	2.6
191.03461	3.1
191.07062	1.1
193.08531	1.6
197.06126	1.8
201.05402	4.5
203.03357	2.3
203.07071	2.5
205.04974	4.6
205.08598	1.3
207.10152	12.7
213.05563	4.7
215.03415	1.5
215.07104	2.2
217.05069	1.1
219.10208	2.4
221.08096	3.8
225.11227	41.0
227.07031	1.8
229.05034	4.4
237.05534	2.0
241.04933	2.0
243.06529	3.6
245.04460	1.8
247.06036	3.5
247.09616	1.2
255.06573	3.6
255.10228	1.9
257.04413	2.3
259.06024	2.5
259.09671	1.0
265.04962	1.1
265.10794	4.6
269.04437	2.9
269.11600	1.1
270.05191	1.5
271.05978	7.0
273.07571	3.5
276.05707	1.3
283.06079	16.7
283.09189	1.8
284.06680	1.2
287.05658	1.2
289.07074	12.5
290.07617	1.1
291.08774	1.2
297.08191	1.1
297.11221	4.5
299.05557	3.5
299.09103	2.4
301.07217	10.7
301.10477	1.6
309.07571	1.2
311.05893	1.1
311.08960	4.8
315.08682	1.4
315.12131	1.3
323.12775	1.6
325.07367	1.7
325.10794	17.2
327.08716	16.5
327.12241	1.8
341.10223	2.1
343.11780	70.9
344.12091	1.2
345.13385	3.0
351.12271	3.2
355.11780	4.3
367.12079	1.8
369.13394	23.8
370.13568	1.4
373.12973	3.5
385.12704	1.4
387.14429	51.3
388.14804	1.8
411.10376	2.7
450.90475	1.1
463.13693	2.9
489.15164	1.7
507.16437	7.5
569.37463	1.0
669.15588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.4
55.01871	10.2
55.05511	49.7
57.03446	9.5
57.07066	7.8
63.56149	5.2
65.03932	7.8
67.05506	90.3
69.03419	11.6
69.07068	49.3
69.23093	47.4
71.04979	7.0
72.29205	4.5
76.30263	4.4
77.03918	5.3
78.31060	5.1
79.05502	65.6
81.03414	7.5
81.07059	86.7
83.04962	10.8
83.08617	21.2
83.62986	4.9
86.09702	11.3
91.05486	73.5
93.07043	66.8
95.04955	15.7
95.08597	41.3
97.02856	9.5
97.06535	23.5
97.10154	18.0
97.77747	5.0
105.07037	75.7
107.04955	12.7
107.08610	43.4
109.06481	8.2
109.10160	20.7
117.07001	25.8
119.08598	54.3
121.06524	6.1
121.10190	26.2
125.09619	21.0
125.79232	4.7
129.06993	11.9
131.08580	31.1
133.06450	5.5
133.10147	45.0
135.11693	18.7
143.08537	15.6
145.10152	32.5
147.08072	6.3
147.11745	31.4
149.09644	7.8
149.13260	9.9
157.10162	9.0
159.11707	15.3
161.13263	23.0
169.10088	7.7
171.11749	14.1
173.13307	9.3
175.14873	9.0
175.63498	5.3
179.14285	8.9
183.11693	8.2
184.07341	27.9
185.13184	5.6
186.86867	5.0
187.11197	5.0
189.11232	6.8
197.12993	5.3
219.17686	7.1
221.52110	5.2
223.13286	12.7
227.12772	9.7
241.19566	9.2
249.14969	5.3
249.56819	5.4
257.18991	6.9
259.20633	31.7
269.17383	6.6
273.18527	9.9
275.20065	46.4
276.54138	5.0
291.19571	100.0
293.21252	6.6
299.23740	5.8
333.24139	34.1
349.23837	19.1
365.23132	21.9
525.35876	7.9
529.35065	11.0
543.36865	25.4
623.43286	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	676.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39435	2.4
53.03939	9.4
55.01868	6.6
55.05513	35.4
57.03423	9.8
57.07076	5.8
65.03920	5.8
67.05508	100.0
69.03448	5.6
69.07072	30.6
71.04989	5.7
71.07334	2.8
79.05495	72.0
81.03416	9.9
81.07060	84.8
83.04978	12.7
83.08605	15.4
85.06542	6.4
88.65517	2.4
91.05484	99.1
93.07051	71.1
95.04958	13.7
95.08614	40.7
97.06539	10.2
97.10165	7.8
98.98441	5.1
100.27016	2.4
103.05457	3.1
105.07036	87.1
107.04953	6.4
107.08598	49.1
109.06522	7.1
109.10159	53.3
109.24040	2.4
111.08021	3.6
117.07025	25.7
119.08588	60.8
120.08883	2.7
121.06490	5.6
121.10143	22.7
123.08041	8.5
123.11692	10.0
125.09640	4.1
128.06178	5.7
129.06982	14.4
131.08562	26.3
133.06525	4.7
133.10138	73.8
135.08087	5.9
135.11749	14.0
136.06213	3.2
143.08521	11.5
145.10124	26.0
147.11661	31.1
149.09616	9.0
149.13246	7.0
151.11201	22.8
155.08556	3.3
156.09274	3.1
157.10118	11.6
159.11678	15.6
161.09558	5.8
161.13229	13.1
169.10147	6.9
169.12170	5.8
171.11708	10.5
173.11850	3.6
173.13216	11.7
175.11183	6.2
175.14784	8.0
177.12639	3.3
181.10147	3.2
183.11722	4.2
184.07361	13.3
185.13277	10.7
187.14894	4.7
193.12140	3.7
199.13138	2.9
199.14841	3.8
213.16391	3.2
229.14323	14.4
234.98398	2.9
239.18080	3.2
241.19485	14.4
253.14378	41.3
259.20609	35.5
260.20978	3.5
263.19983	3.2
273.18475	9.1
273.87384	2.4
274.25870	3.1
275.20026	7.9
287.20279	3.4
291.19385	8.2
315.23145	6.4
325.27545	14.2
333.24216	32.1
349.24014	2.8
353.24954	3.4
365.23251	11.2
408.27042	2.8
437.29962	4.1
479.37344	10.6
504.37125	4.3
511.34351	3.5
529.35028	10.9
531.37872	4.0
543.36627	3.5
605.41046	3.8
623.43158	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	676.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01870	7.7
55.05518	26.4
55.08740	3.1
55.95240	3.0
57.03432	12.0
57.07066	7.0
65.03981	4.1
67.05511	75.0
68.77744	3.1
69.03412	4.8
69.07064	23.2
71.05000	9.5
79.05500	65.4
81.03402	8.2
81.07069	76.0
83.04984	14.4
83.08633	16.0
85.06528	5.3
91.05489	100.0
93.07052	58.4
95.04958	13.4
95.08618	43.7
97.06512	7.8
97.10146	3.5
105.07044	89.9
107.04955	5.4
107.08611	51.6
109.06544	8.6
109.10166	47.1
111.08097	6.4
115.05413	4.7
117.07020	25.4
119.08597	41.6
121.06532	6.9
121.10155	19.7
123.08122	5.7
123.11742	6.0
127.07574	3.8
128.06268	5.5
129.07025	15.5
131.08588	30.8
133.06505	4.4
133.10147	67.9
135.08049	5.9
135.11690	16.7
136.06189	10.7
142.07771	3.8
143.08568	11.0
145.10143	18.1
147.11711	26.9
149.09689	4.3
151.11183	26.7
157.10167	9.3
159.11710	19.3
161.09540	5.2
161.13307	18.7
161.45793	3.5
169.10149	10.9
169.12282	6.7
171.11742	13.3
173.13235	12.4
175.14778	5.8
179.14265	3.5
185.13298	8.5
197.13332	7.0
199.14949	5.4
207.11852	4.4
212.24635	4.2
241.19547	8.3
253.14339	61.8
257.19101	6.3
259.20529	38.6
273.18457	12.6
275.20163	3.9
277.21643	4.0
289.86020	3.6
291.19464	15.3
315.23193	5.9
333.24350	35.4
339.28815	3.5
353.71628	3.9
365.23282	13.0
437.30399	3.9
511.34024	8.2
529.35327	5.6
531.38751	3.5
609.44623	9.2
623.42816	16.2
661.06702	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	676.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01873	5.9
55.05516	34.5
57.03429	6.6
67.05511	49.2
69.03452	8.5
69.07070	30.9
69.28123	26.3
69.28529	8.4
72.95190	3.7
79.05502	46.8
81.03430	6.0
81.07061	44.8
83.05013	5.3
83.08626	14.9
86.09704	5.6
91.05486	46.5
93.07057	43.4
95.04983	6.7
95.08609	32.7
97.02884	5.3
97.10164	16.9
105.07034	38.9
107.04974	6.6
107.08592	27.5
107.40721	3.9
109.10200	16.5
111.08106	4.6
117.07019	19.7
119.08597	37.6
121.10176	18.1
123.08094	4.4
125.09644	9.6
129.06978	11.5
131.08574	20.1
133.10147	26.3
135.08051	6.1
135.11693	14.8
141.07030	4.2
143.08575	12.5
145.10133	15.3
147.11702	26.6
149.06317	3.9
149.09592	5.3
149.13231	10.3
157.10126	8.2
159.11719	14.6
161.13275	12.2
169.10062	5.6
171.11752	9.6
173.13301	8.5
175.14812	7.2
184.07376	13.1
185.13232	8.4
189.11244	6.0
189.12729	5.3
197.13194	5.3
199.14819	5.5
211.81017	3.9
223.13295	22.2
227.12756	11.4
241.19537	14.7
259.20596	27.6
273.18478	8.4
275.20120	4.5
291.19547	100.0
315.23309	7.8
333.24304	27.8
365.23273	16.3
379.30157	5.5
529.36200	4.0
543.36932	4.3
623.42773	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	676.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.05516	16.7
55.16197	1.4
55.61542	1.5
57.03442	15.2
57.07069	1.4
61.02917	3.0
62.08095	1.4
65.03931	2.1
67.05508	46.6
69.03429	4.0
69.07073	14.0
69.69570	9.6
71.04997	3.2
73.09319	1.4
79.05492	35.4
79.05916	3.1
81.03423	47.8
81.07062	51.1
83.04996	11.7
83.08617	24.5
83.25022	1.5
85.02909	18.8
85.06548	3.1
91.05481	31.8
93.07048	38.6
95.04971	17.7
95.08612	14.7
97.02911	3.7
97.06522	7.4
97.10161	2.8
99.08089	3.7
105.07036	16.8
107.04953	4.4
107.08595	20.5
109.06522	5.7
109.10172	3.7
111.08083	8.0
115.05504	2.0
117.07027	7.1
119.08583	14.0
121.06480	3.0
121.10148	17.2
121.28171	1.6
123.08099	2.7
123.11748	2.6
125.09689	1.7
129.07002	8.6
131.08574	13.0
133.10121	11.1
135.11755	4.2
137.09595	2.1
142.07828	2.0
145.10112	2.0
147.08148	2.2
147.11725	11.5
149.09587	2.6
149.13277	18.7
157.08984	1.7
157.10106	9.8
159.11674	9.6
165.12801	1.7
172.08823	1.9
175.11195	9.4
177.12801	4.2
193.12256	29.3
195.13893	7.1
211.13313	35.6
211.15309	2.4
267.15948	22.5
267.66345	1.4
269.17468	50.7
270.18143	1.5
285.16928	29.0
347.27283	1.7
424.27350	1.6
435.27515	1.8
461.29037	52.2
462.29483	3.1
470.15662	2.3
471.16141	2.0
472.16833	4.1
479.30090	79.1
480.30487	2.3
481.14600	2.8
482.15915	3.0
483.16080	3.0
484.17020	3.2
486.18668	4.8
495.16940	2.3
496.17017	10.2
497.17828	5.1
498.18646	10.5
499.19595	3.3
504.07104	1.7
556.19220	9.9
560.21088	1.8
618.22784	2.7
644.23608	3.8
645.24719	2.6
661.24127	2.1
676.26898	100.0
677.26764	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	676.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01880	1.3
55.05318	0.6
55.05516	7.5
57.03195	0.7
57.03444	7.5
57.07085	1.2
61.02916	2.2
65.03938	1.6
67.05510	36.2
69.03436	1.5
69.06732	1.3
69.07076	15.6
69.19080	7.5
71.04996	4.1
73.02932	1.0
79.05495	21.0
81.03432	3.4
81.07063	68.3
82.07367	1.4
83.04979	5.7
83.08624	9.6
85.02917	1.8
85.06541	4.5
91.03938	0.8
91.05486	18.7
92.05833	1.2
93.07052	31.3
95.04994	5.6
95.08611	16.0
96.08946	0.8
97.02901	1.8
97.06537	6.5
97.10184	1.3
98.21553	1.3
99.08094	2.9
105.01802	0.9
105.07040	20.1
107.04921	1.0
107.08601	19.5
109.06522	3.9
109.10170	3.4
111.04429	0.9
111.08092	4.7
113.06046	1.6
113.19903	0.8
117.07050	4.5
119.08590	14.5
121.06535	1.3
121.10147	18.8
123.08080	2.7
123.11713	12.4
125.09644	1.0
127.07595	1.4
129.07045	1.3
131.08569	5.3
133.10158	4.6
135.08014	1.7
135.11708	4.4
137.09663	1.1
137.13251	1.1
139.11192	0.8
141.09125	0.7
145.10127	1.2
147.08110	0.9
147.11685	31.5
149.09621	1.0
149.13268	16.9
151.11209	0.8
153.99203	0.7
157.10124	1.2
159.11696	5.4
165.12753	9.8
175.11232	1.7
177.12799	3.0
183.13876	1.0
193.12294	1.4
195.13803	7.6
211.13367	0.9
213.14911	2.1
229.14442	2.5
267.12988	1.4
267.15927	40.1
269.17493	59.5
273.18515	1.1
285.16989	28.2
291.19489	1.9
292.19910	1.0
461.29083	2.4
464.87372	0.9
470.15518	1.3
479.30087	100.0
480.30533	2.6
483.16531	2.1
484.17093	2.5
494.27231	0.9
497.18304	2.0
498.18729	5.2
512.66272	0.8
644.24780	1.4
676.26776	15.4
676.36737	1.0
677.26868	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	676.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.9
53.03954	2.7
55.01884	2.0
55.05515	12.7
57.03440	12.3
57.07069	1.0
59.05010	1.1
61.02934	1.7
64.74845	0.8
65.03941	1.7
65.15599	0.9
67.05508	40.6
69.03433	3.3
69.07074	13.5
69.15313	1.2
69.15714	9.1
71.05008	4.3
73.02897	1.4
79.05499	32.3
81.02937	1.2
81.03424	36.8
81.07065	52.1
83.04988	11.9
83.08625	22.2
85.02435	1.1
85.02918	14.0
85.06544	3.8
91.03965	1.1
91.05487	26.1
93.07053	40.2
93.07645	1.9
95.04970	17.5
95.05564	1.1
95.08609	15.7
97.00368	0.8
97.02921	2.3
97.06528	8.3
97.10180	2.7
99.08118	2.9
105.04522	1.1
105.07033	13.7
107.04975	3.5
107.08596	19.3
109.06538	4.0
109.10155	4.4
111.04463	2.3
111.08089	8.0
113.06046	1.0
115.05462	1.0
117.07010	4.9
118.22299	1.0
119.08608	12.0
121.06535	2.4
121.10152	15.5
121.11034	1.2
123.08059	1.6
123.11713	2.0
125.09696	1.3
127.03875	1.0
129.06998	6.7
131.08591	11.7
133.06528	2.3
133.10138	10.3
135.08032	1.6
135.11703	4.4
137.09604	1.2
139.11150	1.4
142.07791	1.9
145.10138	2.4
147.08063	2.1
147.11702	9.7
149.09605	4.4
149.13264	19.0
157.10100	8.1
159.11688	6.4
165.12776	2.6
175.11166	9.2
176.02600	0.8
177.12813	3.6
184.07460	0.9
185.13499	1.0
193.12256	24.2
195.13791	6.3
211.13289	25.2
265.21497	0.9
267.15927	19.3
267.18610	1.4
269.17502	67.6
270.17780	1.4
277.13327	0.9
285.16977	16.5
359.25800	1.1
370.93256	0.9
410.28876	1.0
433.29568	3.6
435.28189	1.2
443.28177	1.5
451.30566	1.2
455.17389	1.1
461.29013	43.2
468.14264	1.3
469.14828	2.3
470.15308	6.3
471.15524	1.1
479.30075	100.0
480.30466	4.0
482.15967	2.9
483.16010	8.4
484.16830	7.1
485.17422	1.1
496.17355	1.2
497.18137	8.8
498.18512	28.7
499.18832	3.1
500.19870	1.1
511.19394	1.1
512.20129	3.9
513.20953	1.3
529.17133	1.6
542.17676	0.9
556.19208	1.6
557.19733	2.0
558.20654	1.6
644.24585	4.0
645.25385	6.2
658.25427	5.5
676.26886	74.0
677.27179	7.1
677.37476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01868	6.1
55.05513	15.8
57.03433	5.4
61.02924	6.4
67.05511	33.7
68.05824	3.2
68.99786	3.6
69.03436	6.1
69.07071	22.4
71.04990	5.4
71.37014	2.3
71.51190	3.7
79.05502	30.8
81.03409	8.9
81.07068	60.1
81.33766	2.3
83.04982	8.7
83.08619	9.0
85.02901	6.5
86.09727	3.2
91.05495	28.2
93.07056	19.9
95.04974	9.0
95.08626	23.3
97.02894	5.6
97.06538	37.5
97.10165	6.3
98.06877	9.7
99.08049	3.5
100.46654	2.6
105.07047	27.0
107.04947	4.9
107.08606	18.9
109.02867	5.2
109.06532	4.2
109.10143	6.9
111.00821	2.7
111.04392	2.8
111.08075	3.2
112.60516	2.7
115.05435	3.1
117.07014	10.5
119.04932	4.9
119.08566	22.0
121.06506	8.3
121.10143	12.1
123.04435	44.5
123.11739	9.6
124.04756	10.1
125.09618	7.7
127.03920	29.3
128.04234	4.7
128.06187	2.6
129.07021	9.4
131.08572	12.7
133.10173	12.7
135.04393	9.6
135.08000	4.7
135.11685	3.7
137.05945	2.7
139.03917	29.4
140.04309	4.2
141.06955	3.3
143.08569	8.5
145.06567	2.6
145.10144	8.9
147.04399	7.9
147.08098	4.7
147.11696	28.9
149.09608	2.5
151.03893	10.6
152.04329	2.7
155.08508	5.1
157.10121	6.0
159.11707	2.7
161.05962	3.3
163.03889	25.1
164.04292	7.8
165.05475	6.5
165.12755	8.6
166.05870	2.8
167.03395	6.6
167.07059	4.3
171.08147	2.5
173.03650	2.7
175.11330	3.5
177.12807	2.8
184.07397	7.0
189.11133	3.5
191.03439	7.3
192.03775	3.6
195.13644	2.8
197.13304	2.7
199.11134	3.1
201.05511	4.9
201.09096	12.0
202.05968	2.8
202.09433	3.6
204.03694	3.1
219.10173	8.6
220.10350	4.1
221.13318	2.7
227.12730	3.9
229.05035	4.1
233.04474	5.0
241.08623	4.7
242.08922	3.4
245.04507	5.2
247.05934	2.5
257.04474	9.5
258.04803	7.1
259.09637	7.5
267.15842	16.0
269.17422	5.5
271.05951	8.0
272.06281	3.4
275.05554	10.2
276.05716	7.0
287.05475	7.1
288.06113	5.9
289.06750	4.7
291.08649	5.3
292.08948	4.0
301.06873	2.9
304.08783	3.9
316.13751	3.0
323.58072	3.1
325.21970	3.4
327.16028	3.4
343.11749	6.6
344.12073	4.6
351.23105	8.1
367.11719	3.5
368.12161	5.2
369.24243	11.4
387.25360	8.7
405.26385	7.6
409.09149	4.7
410.09567	7.5
417.26324	4.6
443.28024	34.0
461.29047	100.0
462.29324	3.1
479.30130	74.6
480.30148	2.8
488.14224	5.5
505.15121	3.7
506.15213	6.7
507.16119	3.1
508.17490	2.8
586.29303	4.9
676.30640	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	675.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28217	1.3
51.02369	2.1
53.03943	6.1
54.73671	1.2
55.01868	7.9
55.05515	38.7
57.03446	14.9
57.07100	6.5
57.07333	1.9
59.04993	4.0
65.03936	5.9
67.05508	100.0
69.03421	5.3
69.07072	22.4
69.65810	7.0
71.05001	6.3
71.08624	2.7
73.02922	2.5
75.28314	1.5
77.03938	2.0
79.05015	1.3
79.05496	56.4
81.03426	14.4
81.07062	62.8
82.07375	1.6
83.04990	10.6
83.08628	15.6
83.51453	1.2
85.02889	7.6
85.06526	5.5
86.09726	6.6
87.04473	2.3
91.05485	71.9
93.07050	56.2
95.04982	9.8
95.08616	36.2
97.02888	3.3
97.06538	8.6
97.10183	15.3
98.21509	1.6
99.08093	3.2
103.05453	2.7
105.04504	2.1
105.07034	59.9
107.04948	4.5
107.07877	1.9
107.08608	34.4
109.06526	7.5
109.10162	50.8
111.04408	2.1
111.08083	5.1
113.05988	1.4
115.05452	2.6
117.07024	17.6
119.08588	52.8
121.06481	3.1
121.10154	24.2
123.08087	3.9
123.11716	3.3
125.00023	3.3
125.09647	13.7
128.06229	3.9
129.05472	4.6
129.07014	14.7
130.07741	1.4
131.08572	26.8
133.06522	2.3
133.10144	36.2
135.08032	5.3
135.11696	20.2
137.09613	4.6
141.06996	3.3
142.07829	3.6
143.08546	12.3
144.09335	2.1
145.10136	23.2
147.08080	2.2
147.10536	1.7
147.11700	33.1
149.09642	3.8
149.13251	9.0
151.11182	2.7
153.12776	1.9
155.08560	5.3
155.10709	3.3
157.10139	12.7
159.08086	1.7
159.11696	19.1
161.09642	2.8
161.13274	21.8
163.11154	7.6
163.14873	2.4
169.10118	5.4
171.07974	1.9
171.10254	2.3
171.11655	14.0
173.09682	2.2
173.11739	14.1
173.13263	11.2
175.11200	2.6
175.14838	9.3
177.12715	3.0
179.14339	2.4
181.10068	2.4
181.12254	2.2
183.11678	2.9
184.07330	17.2
184.08806	2.1
185.07765	2.9
185.13271	10.9
187.11165	1.6
187.14853	5.6
193.12238	2.3
195.11760	3.4
197.13245	2.5
199.13260	5.5
199.14847	5.9
203.14244	2.0
208.50395	1.5
209.11687	2.0
211.14963	1.6
213.16327	3.5
215.18057	1.7
217.14212	1.9
227.12740	3.3
229.14363	26.9
229.19513	1.4
231.21085	4.0
241.19536	21.6
243.21147	2.2
245.19121	1.5
249.69174	1.5
257.19019	1.7
259.20590	46.9
260.21094	1.8
261.22263	1.8
267.15891	2.2
273.18491	1.8
275.20102	9.4
277.21695	3.5
291.19418	4.7
293.21109	2.4
297.22293	1.8
301.16403	3.9
305.20737	1.7
313.21777	2.2
315.23090	5.3
325.21671	1.4
333.24283	25.8
339.26807	2.9
349.23825	3.2
351.25513	1.5
399.23914	4.6
408.82138	1.5
487.34323	1.6
505.34744	1.9
513.36078	3.0
559.36328	1.7
585.41235	6.2
657.43073	1.8
675.43939	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	675.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03955	7.4
55.01876	7.0
55.05512	40.3
57.03445	17.6
57.07068	5.5
59.04983	3.2
65.03941	5.6
67.05506	100.0
69.03421	5.2
69.07066	25.2
71.01352	1.4
71.04981	7.1
71.08614	3.0
73.02914	2.4
73.10120	1.3
73.37827	1.1
77.03922	1.6
79.05493	64.9
80.06266	1.8
81.03419	14.5
81.07059	62.9
83.04994	9.6
83.08624	15.1
85.02911	8.1
85.06528	4.8
86.09704	7.3
87.04458	4.4
87.10027	1.4
88.30012	1.3
90.96457	1.3
91.05480	71.6
93.07047	61.9
95.04983	10.7
95.08611	38.7
97.02904	2.0
97.06528	9.9
97.10164	15.3
99.08092	4.9
103.03976	1.3
103.05479	2.2
105.04500	2.4
105.07034	62.8
107.04938	4.5
107.08598	37.6
109.06547	6.9
109.10156	55.1
111.04454	2.4
111.08081	4.9
113.05994	1.4
115.05462	3.9
117.07017	24.3
119.08586	58.5
121.06502	4.2
121.10144	27.7
123.08060	4.1
123.11682	3.5
124.99981	7.1
125.09631	13.2
128.06206	4.4
129.05481	5.8
129.07014	15.9
130.07802	1.7
131.08575	30.4
133.10132	41.7
135.08075	3.0
135.11676	19.1
137.09592	6.3
141.06992	2.0
142.07758	2.3
143.08575	12.8
143.10709	1.5
145.06459	1.8
145.10127	30.0
147.08047	3.8
147.11693	37.4
149.09647	5.3
149.13242	9.6
151.11212	2.4
153.12752	2.1
155.08517	5.2
155.10680	5.9
156.09372	2.0
157.08864	2.4
157.10127	11.8
159.11699	20.5
161.09628	3.0
161.13261	29.4
163.11217	10.2
163.14832	3.6
165.12791	2.0
167.08531	1.5
169.10120	5.0
171.11690	14.8
173.09499	1.5
173.11748	15.3
173.13260	13.3
175.11209	4.4
175.14793	10.4
177.12770	2.8
179.14317	3.5
183.11690	4.9
184.07352	23.4
185.07657	4.3
185.13251	12.1
187.11150	2.1
187.14777	6.1
189.11218	1.7
189.12744	2.5
189.16423	1.4
193.12227	1.5
195.11743	2.7
197.13281	1.8
199.13301	6.0
199.14818	7.1
201.16396	3.1
209.11749	3.1
211.14908	2.6
213.16425	4.0
215.17973	1.6
227.12784	4.3
229.14310	32.8
229.19414	2.1
231.21143	7.3
239.18074	1.5
241.19511	25.5
257.19067	3.7
259.20584	49.9
261.22119	1.3
267.15848	1.6
272.84201	1.5
273.18527	2.1
275.20047	9.5
277.21613	5.7
287.20074	1.6
291.19479	4.2
293.21027	2.3
301.16302	3.1
305.21152	1.8
313.21732	1.7
315.23090	6.5
325.21472	1.6
333.20447	1.8
333.24252	28.8
339.26944	3.5
349.23633	2.6
351.25186	1.9
361.23932	1.6
365.23431	1.6
367.24435	1.5
372.03906	1.4
388.80045	1.6
399.23694	6.9
413.30731	2.3
437.28839	1.3
487.34045	4.5
505.35797	1.9
585.41772	8.2
657.43011	2.6
675.43964	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	675.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01867	3.3
55.05516	13.6
57.07082	5.5
61.02929	13.1
65.03945	2.1
66.23708	1.0
67.05509	25.8
68.05843	0.9
69.03437	9.2
69.07072	12.2
71.01329	1.3
71.04980	3.1
71.08625	3.8
71.21317	1.0
71.50969	1.7
73.02924	7.5
79.05502	19.3
81.03420	14.5
81.07056	25.7
83.04975	3.7
83.08611	6.2
85.02908	10.3
85.06523	1.1
85.10183	2.0
87.04472	1.5
89.06036	15.2
90.06384	1.3
91.03974	6.0
91.05482	18.6
93.07048	19.8
95.04975	5.2
95.08614	17.8
97.02892	12.7
97.06525	3.9
97.10159	3.7
99.04481	2.9
99.08083	1.3
101.02377	2.1
105.07031	18.2
105.07689	1.4
107.04960	2.4
107.08604	11.8
109.02898	1.6
109.06538	3.5
109.10169	7.4
111.04440	1.4
113.06032	1.5
115.05466	1.9
117.07017	9.6
119.08578	15.0
121.06550	2.8
121.10134	7.4
123.08129	1.6
123.11720	2.1
125.09626	2.1
127.03934	3.3
128.06247	3.2
129.05498	1.4
129.07013	11.0
131.08559	15.4
133.08601	5.4
133.10133	11.5
134.08917	1.6
135.08084	2.8
135.11722	5.1
137.09669	1.3
141.07007	5.5
141.68295	1.1
142.07799	2.8
143.08560	13.1
144.09247	1.3
145.06432	1.4
145.10144	12.7
147.08023	1.5
147.11693	6.2
149.09625	2.9
149.13264	1.9
151.11195	1.5
155.08568	10.0
157.10124	11.6
159.08087	1.8
159.11707	7.9
161.13214	1.6
163.11226	1.4
167.08554	2.6
168.09296	1.3
169.10115	9.0
171.11691	12.4
173.04462	3.4
173.13278	4.7
177.11287	1.9
177.12732	1.1
179.08577	1.6
180.09184	1.1
181.10120	7.0
181.12238	1.9
183.11711	10.0
185.13268	7.0
187.14784	1.2
193.10172	2.5
195.11691	6.0
195.79919	1.1
197.13281	7.7
199.11311	1.0
199.14842	3.8
199.20598	1.2
205.10173	1.1
207.11736	3.0
209.13235	4.0
211.14821	3.4
213.12866	1.3
213.16432	2.5
221.13315	2.1
223.14796	2.2
225.12898	1.1
225.16374	1.8
229.14156	1.4
233.13248	1.4
235.14763	1.4
239.18060	1.3
243.23355	1.2
243.72379	1.1
257.19098	1.2
267.17627	1.2
273.18512	2.5
275.20111	3.1
291.19611	4.0
295.20566	1.0
313.21518	1.8
325.21472	1.4
362.38116	1.2
365.23459	1.2
403.29825	2.0
404.19028	1.1
421.31067	7.9
439.32047	2.1
495.34790	5.4
511.33841	2.6
513.35785	100.0
514.36102	4.0
525.35431	1.5
531.36804	2.0
537.36041	1.9
551.51331	1.0
555.36218	2.1
621.37415	2.2
639.40082	3.0
657.40918	5.6
675.40704	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83258	0.5
62.04072	0.5
67.05510	0.6
71.50943	0.8
78.31962	0.7
81.07050	0.9
88.45193	0.6
93.07033	0.6
95.08625	0.7
110.88762	0.5
113.47330	0.5
120.36744	0.6
125.00289	0.5
209.10808	0.7
211.12317	0.7
223.12439	1.2
224.13150	0.8
237.13974	0.7
251.64473	0.6
261.13763	0.5
389.18164	0.6
403.19440	0.8
416.19879	0.7
417.21115	1.2
427.19446	1.2
428.19965	1.2
429.20886	0.7
431.18887	2.2
433.24069	2.4
442.21643	0.8
443.23071	0.8
444.19427	1.9
445.20013	4.0
446.21176	1.1
456.19589	1.7
457.24283	1.1
458.21265	0.7
459.21817	16.1
460.22629	3.8
461.23508	2.0
469.20340	1.1
470.20883	1.1
471.21814	0.6
473.23410	0.9
483.21472	0.7
484.22766	1.0
485.23590	1.9
487.25247	0.8
499.25131	4.7
500.25861	1.3
501.26883	1.3
510.21692	0.6
513.26599	0.9
515.27850	0.7
519.24011	2.2
528.29175	1.0
529.29938	1.0
531.23901	1.3
546.26196	0.7
547.27045	11.2
557.25189	1.3
559.26782	1.0
563.26617	0.7
571.27362	1.3
572.27557	0.6
573.28241	0.8
587.30151	5.1
591.25781	1.2
606.28577	3.6
615.33282	8.0
646.31140	1.4
675.35449	100.0
676.35797	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	675.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	11.7
55.01865	10.8
55.05503	27.7
57.03433	15.7
59.42334	6.6
61.02923	18.6
67.05512	63.0
69.03427	13.5
69.07068	27.6
70.94467	7.0
71.04986	5.6
73.02930	15.1
73.52029	6.2
79.05497	75.1
81.03424	29.6
81.07061	83.7
83.04990	11.1
83.08604	13.4
85.02909	38.8
85.06541	6.7
91.03956	16.0
91.05493	78.3
93.07051	99.9
95.04961	24.4
95.08632	43.5
97.02904	15.1
97.06546	18.4
97.10139	9.2
99.04463	10.2
105.07024	63.1
107.04961	14.9
107.08599	45.4
109.10155	24.3
111.04449	7.4
117.07002	13.7
118.02590	7.9
119.08598	51.8
121.10139	35.0
123.04472	11.2
123.11714	12.3
125.09635	9.7
127.03954	8.8
129.07021	9.3
131.08557	27.5
133.06445	6.6
133.10149	44.8
135.11687	25.6
139.03934	12.6
143.08636	10.2
145.10143	24.9
147.11703	39.7
149.13283	22.4
151.03967	6.2
153.01872	10.1
157.10110	21.5
159.11711	18.9
161.13263	21.1
163.06029	7.0
165.05531	6.4
167.07076	7.2
169.10094	7.3
171.11642	13.7
173.13283	6.7
175.14856	14.8
183.11620	7.2
185.13229	9.8
187.14874	8.4
189.11104	7.8
227.12787	6.6
229.14215	11.3
231.21216	6.8
241.19466	22.3
259.20648	62.8
267.15897	22.6
268.16333	11.9
277.21609	12.8
285.17032	17.6
286.17349	9.2
329.53107	6.5
333.24280	11.2
351.25314	100.0
441.26370	12.7
459.27206	9.9
460.27753	13.1
477.28625	19.4
478.28711	32.1
495.29395	18.1
602.98737	7.5
675.22400	9.3
675.34088	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	675.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11255	0.7
69.54563	4.7
81.07074	1.0
95.08649	0.7
122.05875	0.8
131.24957	0.6
224.13075	0.9
348.25122	1.0
417.20947	1.9
429.21030	1.4
431.18829	2.5
433.24002	3.1
441.20959	1.0
443.22644	1.4
444.19821	2.2
445.11057	0.8
445.19943	4.3
455.18478	1.2
456.19144	1.2
457.24274	1.0
459.21777	14.9
460.22714	3.3
461.23294	1.7
462.41837	0.9
469.20313	1.2
471.21561	1.3
473.23523	1.5
484.22989	1.1
485.23550	2.5
487.21027	0.9
499.24936	4.5
513.26813	1.6
515.28442	1.4
515.37598	0.8
519.23944	2.8
529.29901	0.9
531.24078	1.7
547.27100	11.6
559.25751	0.8
571.26855	1.3
573.29047	1.2
583.30621	0.8
587.29932	3.6
591.26215	1.4
601.31226	0.9
606.28070	3.5
615.33405	7.8
631.29034	0.9
675.35443	100.0
676.35968	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	0.3
60.73152	0.3
67.05451	0.9
69.71944	1.6
79.05457	0.8
81.03379	0.4
81.07066	1.3
85.02869	0.3
91.05466	0.6
93.07000	0.5
95.08559	0.5
101.83530	0.3
105.07007	0.5
107.08492	0.3
119.08533	0.3
121.10087	0.4
131.08516	0.4
181.05081	0.4
207.94312	0.3
211.13177	0.3
226.53465	0.3
253.60913	0.3
269.17291	0.4
273.78946	0.3
291.19333	0.3
294.51193	0.3
328.57080	0.3
429.15497	0.4
440.15198	0.3
445.18677	0.3
451.13760	0.3
453.15485	1.1
454.17108	1.2
455.13156	0.7
456.14105	0.6
467.13461	1.3
468.13892	2.5
469.14862	9.1
470.15753	1.7
471.17020	0.8
479.30060	0.7
481.14767	2.6
482.15872	12.4
483.16684	13.2
484.17581	2.4
485.18607	0.4
495.16946	1.6
496.17551	6.7
497.18259	45.9
498.18887	5.3
499.19611	0.9
510.19061	2.4
511.19827	5.9
512.20612	1.4
515.19519	1.1
523.16107	0.5
527.15845	0.4
528.16321	2.5
529.17218	0.5
538.20062	1.0
539.20435	0.4
541.17401	0.8
542.17950	3.0
555.18457	2.3
556.19580	3.8
557.20245	2.9
569.20282	0.9
571.21729	0.3
573.21936	0.3
611.21295	0.4
616.21820	1.2
628.21814	0.6
629.22314	0.9
630.23218	0.7
643.14008	0.6
643.23999	6.8
644.14630	0.6
644.24817	8.2
645.25122	1.3
657.25604	7.8
660.24188	0.4
675.26636	100.0
676.26880	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	675.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01855	1.4
56.71230	1.4
61.02955	1.1
65.03934	1.3
68.99821	1.6
69.03430	1.7
70.06605	1.3
70.19304	4.2
75.66176	1.1
85.02911	6.9
93.03392	1.5
95.04964	4.0
97.02887	2.4
104.87521	1.1
107.04942	1.5
109.02837	1.4
111.04446	3.4
117.89966	1.3
123.04420	10.1
127.05932	1.1
135.04437	4.8
139.03905	100.0
140.04559	1.3
147.04437	2.4
149.05978	1.9
151.03897	19.6
153.05473	1.5
155.07018	3.9
163.03918	20.5
175.03925	4.3
177.05505	5.4
179.03459	1.4
179.07013	3.0
181.04961	27.5
183.06560	5.8
191.07106	1.1
201.05547	1.8
205.04962	12.1
207.06589	2.6
217.04982	2.4
225.07668	2.8
229.04988	2.9
235.06009	3.2
247.06084	3.6
265.07074	3.7
283.08112	11.4
301.09344	3.0
305.10318	3.1
329.10355	1.5
333.09714	18.7
345.09741	2.4
351.10754	14.0
357.09726	2.9
375.10785	4.8
393.11905	2.3
399.11169	2.1
417.11780	1.6
441.11755	1.7
477.14175	1.9
495.14752	1.4
677.18781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.7
65.03931	3.5
67.05486	2.2
68.99802	8.2
69.99966	1.2
70.17749	4.8
77.03971	1.1
79.05502	2.6
81.07072	1.4
83.05000	1.9
91.05484	3.2
91.89156	1.2
93.03394	2.1
95.04976	2.9
97.06559	2.3
103.05502	2.8
105.07022	1.9
107.04964	3.3
108.83784	1.2
109.02872	3.0
111.00819	5.1
111.04462	7.4
115.05448	3.4
117.07023	3.6
119.04961	3.6
121.02873	2.2
123.04436	52.0
127.03928	45.9
128.06235	2.8
129.06999	3.3
131.04935	4.8
131.08562	1.2
133.06497	3.1
135.04419	31.5
137.02344	2.4
137.06017	3.4
139.03912	100.0
141.06987	1.9
143.08560	4.8
145.06508	4.5
145.10095	1.8
147.04407	10.5
149.02361	4.6
149.06004	9.5
151.03920	27.5
151.05101	1.9
152.06194	1.4
153.01820	9.9
153.05473	4.0
153.06992	3.1
153.43196	1.2
155.03407	3.3
155.04774	1.9
155.08609	2.0
157.06502	4.0
157.10284	1.4
159.08182	1.8
160.05225	8.1
161.05998	24.6
163.03923	36.3
165.01859	1.7
165.05504	8.6
165.06818	1.8
167.03429	10.7
167.08615	2.2
169.06477	1.6
171.08064	3.7
173.05946	4.1
173.09631	4.5
175.03871	8.8
175.07570	12.6
176.04677	3.0
177.05502	9.4
177.09109	2.4
179.03410	12.4
181.05040	2.9
181.06512	2.8
183.08022	2.1
185.06056	2.8
185.09711	3.2
187.03908	4.1
187.07576	5.5
189.05602	6.2
189.07399	1.7
189.09140	22.9
191.03400	19.8
191.07101	3.0
191.10623	5.7
193.04974	4.7
195.08093	2.2
197.06000	3.0
198.06726	1.8
199.07507	3.5
200.04733	2.0
201.05518	7.7
201.09128	9.9
203.03421	11.5
203.07028	2.8
203.10696	2.2
205.04962	3.6
205.08582	6.8
213.05527	3.1
213.09109	8.4
215.03447	2.9
215.07069	4.3
215.10776	1.5
217.04985	2.9
217.08560	13.0
219.10201	14.5
223.07631	1.4
225.05569	2.0
227.07001	1.9
227.10693	1.7
229.04974	14.5
229.08669	3.6
231.06490	2.3
231.10190	3.0
233.04500	9.9
237.05515	1.5
237.09030	1.4
241.04927	2.1
241.08618	7.3
243.06642	3.6
243.10236	1.5
245.04494	7.1
247.06029	19.5
255.06551	2.5
255.10162	2.0
257.04495	24.5
257.07214	2.1
257.08206	1.1
259.06015	6.1
259.09647	3.8
265.08655	1.7
269.04453	2.2
271.06009	18.6
275.05481	21.3
279.06592	1.3
279.10498	1.2
282.05200	1.6
283.06104	11.3
283.09335	2.3
285.07590	2.1
287.05493	24.6
289.07071	11.0
291.08713	8.7
295.06030	4.9
299.05515	8.8
301.07138	15.0
303.08914	1.6
311.05539	2.1
311.09100	1.3
321.11081	2.6
323.09106	2.3
325.07230	2.3
325.10654	10.2
339.12338	5.7
341.10217	2.1
343.11862	8.7
349.10785	4.9
351.12341	1.6
355.11633	1.8
361.10599	2.6
367.11807	21.2
379.11792	11.4
385.13043	3.6
397.12878	12.7
409.09210	25.9
427.10330	9.1
451.10162	1.6
487.13763	3.3
505.14752	6.8
523.15894	1.7
531.16248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51111	1.1
51.02399	1.6
53.03959	1.3
55.01865	5.4
55.57802	1.1
57.21567	1.0
65.03932	2.0
67.05496	1.7
68.99792	9.3
69.03417	2.4
69.07056	1.5
69.26952	1.2
70.06596	20.6
71.04993	1.3
71.06913	2.0
71.50075	1.2
71.51340	1.3
71.84199	1.3
79.05483	2.7
81.03426	2.1
82.42474	1.2
83.01362	1.4
83.04983	2.1
85.02904	2.2
91.05478	6.2
93.03390	1.8
95.04973	5.2
97.06491	2.8
103.05455	2.5
105.07019	3.4
107.04942	3.1
108.08103	1.5
109.02866	2.0
111.00815	5.9
111.04443	8.4
115.05461	3.7
117.07003	3.3
119.04939	6.4
119.08555	2.1
121.02879	3.6
123.04428	61.1
124.04785	1.9
125.02337	2.5
127.03918	30.4
128.06206	4.0
128.60097	1.1
129.07001	6.0
130.04971	1.4
131.04916	5.1
131.08560	3.1
133.06487	5.4
135.04427	19.1
136.04828	1.7
137.02325	2.3
137.05937	5.0
137.81029	1.2
139.03902	100.0
141.07062	1.6
143.04898	1.8
143.08554	5.4
144.05655	2.1
145.06479	2.8
145.10095	3.0
147.04411	19.8
149.02348	4.2
149.05980	11.9
149.59962	1.1
151.03906	20.2
151.07535	2.1
152.06229	1.6
153.01833	12.4
153.05452	4.0
153.07018	2.5
155.03391	4.3
155.08580	2.8
157.06522	5.9
157.10074	2.9
159.04417	2.2
159.08041	3.0
160.05197	11.4
161.05989	28.3
163.03911	30.3
163.07442	1.7
165.01772	2.5
165.05495	15.8
166.05736	1.4
167.03400	14.7
167.08542	4.3
169.05069	1.6
169.06502	1.5
171.08015	4.2
173.05956	5.4
173.09602	5.2
174.06766	2.9
175.03935	7.3
175.07552	15.8
176.04718	3.6
177.05475	33.7
177.09123	3.3
178.05772	6.3
179.03369	13.0
179.07031	3.2
181.04980	2.9
181.06473	1.9
183.07947	2.4
184.05190	2.4
185.06026	3.0
185.09642	4.6
187.03830	2.9
187.07559	4.8
189.05513	8.4
189.09117	22.1
191.03392	20.5
191.07043	3.6
191.10684	6.3
193.04976	7.5
195.08113	6.1
197.05952	3.8
199.07582	4.9
201.05437	4.6
201.09137	16.7
202.06274	1.3
203.03409	13.7
203.06970	2.5
203.10622	2.7
205.04970	4.3
205.08528	6.6
207.06517	2.1
209.09698	2.3
211.07515	1.7
212.08170	1.4
213.05513	4.1
213.09093	12.4
215.03401	3.6
215.07066	4.4
217.04990	4.8
217.08546	13.4
219.10133	19.8
223.07626	2.2
223.09593	1.7
226.06207	1.7
227.07138	1.6
227.10648	1.8
229.04947	10.4
229.08618	4.1
231.06662	2.0
231.10167	3.4
233.04340	7.1
234.11317	1.8
237.09142	1.5
241.08534	12.9
245.04459	5.4
247.05920	2.9
255.06816	2.0
255.10094	4.2
257.04446	20.1
258.04996	2.3
259.06006	4.0
259.09641	4.6
264.07944	1.3
265.08691	1.8
269.04462	3.2
271.06052	6.5
273.07675	1.5
275.05469	23.2
279.06693	1.5
282.05127	2.2
283.05988	2.9
283.09631	3.6
285.07486	1.7
287.05508	25.0
288.05875	2.3
289.07043	6.4
291.08618	12.6
295.06064	8.4
295.09250	2.1
299.05542	10.8
299.08762	2.0
301.07062	9.2
303.08722	2.3
311.05463	1.5
311.08871	1.5
313.07300	1.4
321.11249	3.0
323.09207	4.7
325.07092	2.0
325.10654	15.4
329.10168	4.9
330.10703	1.9
331.09723	1.8
333.11047	2.6
337.10681	1.5
339.12479	6.6
341.10260	1.7
343.11813	12.9
349.10748	7.3
351.12137	3.5
355.11789	3.0
361.10635	4.5
367.11734	19.1
368.12064	1.6
379.11823	13.0
385.12805	5.5
386.16193	6.3
387.16385	7.7
397.12720	14.6
409.09140	15.9
427.10376	5.9
449.90546	1.5
487.13864	5.5
505.14972	8.0
523.16382	1.8
675.22821	10.8
675.34497	1.8
676.23328	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	674.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01868	1.9
55.05518	7.6
56.97153	0.6
57.03438	5.5
57.07077	0.8
61.02933	0.9
65.03941	0.8
67.05509	20.8
69.03432	0.9
69.07076	7.5
70.10872	0.6
71.04991	2.5
71.51945	0.8
73.02919	0.7
79.05498	17.8
81.03424	2.5
81.07063	28.8
82.07386	1.1
83.04971	4.1
83.08625	9.4
85.02903	1.6
85.06522	1.3
91.05485	8.9
93.07052	29.4
95.04974	3.9
95.08616	22.5
97.02892	2.3
97.06531	4.7
97.10184	1.6
99.04465	1.8
99.08115	0.8
102.98233	0.7
105.04538	0.6
105.07025	5.7
105.14467	0.6
106.07352	0.9
107.04980	4.2
107.07877	1.1
107.08604	22.4
108.08838	0.7
109.06520	1.7
109.10143	2.8
111.04424	0.9
111.08101	2.7
113.06041	0.6
117.07021	5.1
119.08596	6.3
121.06502	3.8
121.10151	11.8
123.08073	0.7
123.11741	1.0
125.06022	1.0
130.07788	0.9
131.08539	3.5
133.10150	4.3
135.08051	1.6
135.11702	25.6
135.12726	1.4
139.07533	1.6
145.10120	12.5
145.11162	1.1
149.09689	1.0
149.13263	9.7
153.12772	0.9
159.11722	2.6
163.11186	31.2
165.12749	1.0
177.12781	1.5
181.12219	4.3
195.13795	3.4
227.12794	38.0
234.56226	0.6
267.16061	1.7
269.17490	42.9
270.17935	1.5
283.15408	32.3
284.16040	0.7
327.05396	0.6
459.27600	0.7
463.30496	1.9
469.15366	1.4
477.28513	100.0
478.29089	3.3
480.30249	1.0
481.14920	1.1
482.15845	1.5
483.16547	1.0
497.18277	5.3
643.23932	1.1
657.23969	0.7
674.22650	0.6
675.26727	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	674.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03947	0.9
55.01881	1.1
55.05520	1.1
57.03433	0.8
61.02949	0.2
62.02866	0.2
65.03941	1.0
66.04728	0.3
67.05513	1.7
69.03432	0.4
69.07072	0.3
70.03740	0.9
71.04982	0.3
71.32325	0.2
75.04481	0.3
76.05660	0.2
77.03933	0.3
78.04710	2.2
79.05505	3.4
79.15662	0.2
81.03430	2.4
81.07059	2.1
83.04993	0.4
83.08631	0.9
85.02917	1.3
89.03886	0.3
91.05494	4.7
93.03439	1.3
93.07051	2.0
95.04978	1.8
95.08617	0.8
96.05705	0.2
97.02878	0.2
97.06551	1.1
97.10187	0.4
98.20881	0.3
103.05473	2.6
105.03399	0.5
105.04511	0.3
105.07042	9.6
106.04173	4.1
107.04971	3.2
107.08593	0.9
108.52093	0.2
109.02945	0.2
109.06521	0.8
109.10198	0.3
111.04461	0.4
111.08096	0.4
115.05466	2.0
117.03404	0.4
117.07027	0.6
118.04174	2.1
119.04940	0.8
119.08572	0.6
121.06522	5.2
121.10148	0.6
123.04440	3.7
123.08090	0.3
124.05233	2.5
125.06026	1.3
125.09695	0.4
129.06996	0.5
131.04932	1.4
131.05832	0.3
131.08572	0.5
133.06505	12.3
134.03615	1.2
135.04443	1.1
135.08061	0.5
135.11670	0.3
136.05167	0.2
137.05991	1.0
139.07523	0.7
143.04971	0.4
143.06050	0.6
143.08527	0.3
145.06543	0.3
145.10081	0.3
147.04527	0.3
147.11743	0.3
148.05199	0.6
149.05998	6.9
149.13275	0.3
150.06804	1.3
151.03906	0.8
151.07550	1.6
152.04681	1.5
153.05392	0.2
153.09122	1.7
157.10104	0.3
161.06000	18.7
163.03973	1.2
163.07494	0.7
163.11145	0.7
165.09128	2.0
166.06245	0.3
167.07051	100.0
168.07390	0.9
175.07600	0.3
175.11162	0.5
177.05492	5.0
177.09134	0.8
179.07039	1.1
181.05008	0.2
181.08594	2.7
191.07021	1.3
193.08624	35.6
193.12286	0.9
194.09270	0.8
195.06514	0.7
195.10222	0.5
198.27411	0.2
209.08115	8.6
210.08942	0.4
211.09676	10.4
237.11153	0.3
267.15952	2.0
269.17606	0.4
283.15350	0.6
285.16910	0.4
367.22571	0.4
389.15967	0.4
459.27490	1.7
472.51895	0.2
477.28491	3.7
495.29279	0.3
605.11530	0.2
674.33057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.3
53.03941	0.7
55.01866	0.8
55.05510	0.6
57.03441	0.4
61.02896	0.2
65.03940	0.7
67.05502	1.1
69.07082	0.3
75.04464	0.5
77.03925	0.3
78.04726	1.9
79.05074	0.3
79.05501	2.9
81.03431	0.7
81.07057	1.6
83.04979	0.5
83.08617	0.6
85.02913	0.9
89.03922	0.4
91.05484	3.5
93.03421	1.9
93.07046	2.0
95.04981	1.4
95.08575	0.3
97.02891	0.2
97.06538	0.7
97.10186	0.2
103.05464	2.8
105.03407	0.3
105.04514	0.3
105.07041	9.9
106.04186	4.7
107.04961	3.4
107.08601	0.5
109.02905	0.3
109.06519	0.6
111.04454	0.4
115.05468	1.4
117.03400	0.3
117.06994	0.4
118.04163	2.6
119.04959	0.7
119.08606	0.4
120.05738	0.3
121.06516	5.2
121.10167	0.4
122.07281	0.3
123.04438	4.3
123.08044	0.4
124.05215	2.1
125.06001	1.0
125.09626	0.2
131.04907	1.6
132.05743	0.3
133.06506	10.6
133.10081	0.4
134.03651	1.1
134.07234	0.2
135.04419	1.4
135.08032	0.8
135.11714	0.6
137.05986	0.9
138.06769	0.3
139.07542	0.5
143.06027	0.5
145.02873	0.3
145.06488	0.3
145.10115	0.3
147.04436	0.5
148.05199	0.6
149.05986	7.2
150.06801	1.3
151.03920	0.7
151.07541	1.2
152.04698	1.1
153.09116	1.4
159.04503	0.5
161.06001	19.7
163.03928	1.5
163.07591	0.9
163.11113	0.4
165.05502	0.2
165.09103	2.1
166.06114	0.2
167.07053	100.0
168.07439	0.7
176.04642	0.2
177.05487	4.7
177.09148	0.8
178.06259	0.3
179.07021	1.4
181.08582	3.2
191.07083	1.1
193.08627	35.9
194.09265	1.0
195.06590	0.5
195.10202	0.6
207.06540	0.3
209.08107	9.5
210.08813	0.7
211.09682	10.1
258.36166	0.2
267.16058	0.3
269.17471	0.6
270.13437	0.2
283.15417	0.7
301.04306	0.2
459.27515	0.6
477.28574	3.2
495.29620	0.5
527.28235	0.4
609.12799	0.2
659.86298	0.2
668.32397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
53.03940	3.5
54.74016	0.8
55.01874	11.5
55.05519	13.2
57.03442	20.3
57.07068	1.9
57.36780	0.7
65.03938	6.0
67.05510	59.9
68.05833	0.8
68.74641	0.8
69.03418	3.1
69.07072	11.8
70.12695	1.9
70.13086	2.2
71.04978	3.6
79.05502	38.3
81.03426	8.5
81.07065	37.3
83.04979	5.4
83.08631	6.4
85.06554	14.5
91.04908	1.5
91.05489	40.9
93.07052	30.8
95.04979	72.2
95.08616	19.0
97.02885	1.3
97.06543	9.1
97.10170	3.9
99.04482	1.2
99.08109	1.2
103.05458	3.5
105.04548	1.7
105.07041	26.8
107.04966	17.1
107.08601	22.5
109.02892	1.1
109.06528	63.4
109.10160	8.0
111.04440	1.4
111.08113	4.4
113.06011	39.0
113.06798	1.9
115.05437	2.2
116.06229	1.2
117.07027	16.9
119.04922	1.8
119.08595	17.2
121.06525	9.2
121.10143	7.2
123.04416	1.7
123.08066	5.9
123.11665	1.3
125.09615	2.6
128.06230	4.7
129.07027	10.1
130.07805	1.9
131.04948	1.3
131.08580	24.2
133.06528	4.4
133.10156	9.8
135.08064	48.0
135.11708	11.0
137.05946	2.0
137.09579	1.1
141.07002	2.5
142.07785	2.1
143.08578	13.2
145.06509	2.6
145.10129	13.5
147.08069	8.6
147.11678	5.9
149.09653	8.3
149.13263	3.7
151.11205	1.1
155.08536	2.2
156.09290	0.8
157.06500	0.9
157.10161	8.3
159.08076	4.7
159.11699	8.1
161.09641	11.0
161.13268	2.7
163.11148	4.8
165.09146	2.0
169.10150	4.3
171.11716	6.8
173.09621	1.4
173.13196	4.4
175.11215	4.5
177.12772	4.5
179.14212	1.0
183.11707	3.0
184.07356	1.6
185.09619	2.1
185.13278	3.4
187.11205	3.0
187.14873	1.1
189.11316	1.0
189.12799	1.4
191.07158	0.8
193.12207	1.1
195.11752	1.6
195.13858	2.3
197.13333	1.3
199.11241	1.5
199.14828	4.5
201.12798	2.1
205.12180	1.2
217.15900	17.0
219.13632	1.8
227.12773	1.0
227.17978	2.9
233.15317	1.4
237.16385	2.5
245.18997	3.0
255.17595	5.1
257.19067	1.1
273.18527	42.9
274.18796	1.3
275.20078	5.5
279.16046	1.5
289.18109	1.6
290.18719	0.9
291.19565	100.0
292.19876	1.9
307.18912	1.2
329.21130	2.0
347.22220	12.7
348.72018	0.8
349.23544	2.4
365.23267	13.7
476.30927	1.5
619.40179	2.4
637.40741	5.1
655.41968	7.9
673.42603	2.0
674.34460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	1.1
55.04248	0.6
57.03458	0.4
61.68451	0.3
65.03949	0.3
68.99793	0.9
69.89550	0.4
69.96850	1.1
70.06596	100.0
73.29137	0.4
81.03411	0.6
81.07056	0.5
89.03913	0.5
91.05476	0.8
93.03423	0.6
95.04961	0.9
98.20816	0.4
103.05485	0.6
105.03380	0.4
107.04943	1.7
109.02856	0.4
109.06567	0.8
109.76292	0.5
111.04459	0.5
117.03399	0.4
119.04965	1.4
122.54749	0.4
123.04441	9.0
131.04913	0.5
133.25401	0.4
135.04425	21.8
137.05995	6.2
139.03908	6.5
147.04378	2.5
151.03896	2.0
153.05505	1.5
159.04480	0.8
161.06036	1.2
162.00478	0.4
163.03915	27.0
164.04672	0.6
165.05493	15.9
169.06421	0.4
173.06055	0.9
175.03926	1.1
177.05510	2.5
179.03426	0.4
187.03902	4.4
189.05472	0.8
197.06001	0.4
201.05566	1.1
203.03375	0.9
205.04990	2.2
207.06522	0.5
211.07552	0.8
213.05531	0.5
215.07011	0.6
227.07239	0.5
229.04959	2.5
239.07100	0.8
241.05190	0.5
243.06625	0.9
253.08949	0.4
255.06685	0.6
257.08084	0.4
259.06082	1.3
267.06522	1.1
269.08023	0.5
271.06018	4.6
273.07776	0.7
281.08206	0.7
283.06006	2.6
285.07584	8.9
291.08835	0.6
295.06067	3.3
297.07690	1.6
299.09195	0.5
301.07071	2.5
307.06174	0.5
309.07556	1.7
313.07144	4.1
315.08694	1.7
325.07117	3.7
327.08630	5.4
384.14371	2.1
411.10739	1.5
435.10828	0.8
447.10880	3.5
447.61023	0.4
453.11682	1.2
465.11850	5.5
605.16571	1.4
617.16602	5.8
618.16571	0.6
674.22363	23.4
675.22614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18944	0.3
53.03963	0.3
54.03466	1.3
54.63164	0.3
55.01881	0.5
58.06590	0.7
60.09816	0.3
65.03933	0.5
68.99806	0.9
69.03435	0.5
70.06596	100.0
71.06948	0.6
71.08681	0.8
79.05511	0.5
81.03435	0.8
81.07064	0.4
89.03907	0.5
91.05495	0.8
93.03423	1.0
95.04981	0.5
97.02922	0.4
103.05469	0.5
105.07046	1.0
107.04945	2.1
109.02967	0.4
109.06515	0.4
111.04450	2.5
115.05487	0.4
117.03358	0.5
119.04958	1.3
123.04433	8.3
131.04987	0.4
133.06502	0.9
135.04427	21.3
137.02370	0.6
137.05994	3.7
138.09154	0.6
139.03906	5.6
139.04890	0.4
147.04411	1.7
149.06033	1.4
151.03979	0.6
153.05557	1.0
159.04478	0.6
161.06006	2.4
163.03911	20.2
164.04712	0.8
165.05487	10.2
165.06883	0.6
173.05952	0.5
175.03984	0.4
176.07166	0.9
177.05481	9.7
179.08565	0.7
180.41167	0.3
183.08040	0.4
187.03902	1.6
187.07617	0.4
188.07133	0.5
189.05473	5.4
198.90274	0.3
200.07289	0.3
201.05556	0.7
205.05080	0.9
207.08064	0.5
211.07597	0.5
217.05060	1.3
229.05087	0.7
235.07628	0.4
253.08781	0.4
253.63658	0.3
259.06097	0.4
269.08212	1.3
281.08115	0.5
283.06125	0.6
285.07629	0.5
287.09296	0.9
291.08856	0.7
295.06299	0.4
297.07669	2.0
299.09192	3.6
301.07376	0.4
309.07495	1.7
313.07181	0.7
315.08612	2.8
325.07062	0.6
327.08640	9.9
327.12503	0.5
333.09894	0.4
338.10312	1.8
366.13611	0.5
384.14432	39.7
385.14886	1.1
412.37164	0.3
423.51694	0.4
435.11176	0.7
453.11954	1.3
605.16876	0.8
617.17328	0.9
674.22406	8.3
675.23102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.2
55.01875	28.0
55.05515	36.8
57.03439	24.5
57.07055	1.8
57.53622	1.9
59.75909	1.8
60.21850	1.3
61.56789	1.7
65.03935	6.8
67.05508	100.0
68.05849	1.7
69.03438	8.5
69.07070	32.4
71.01345	2.7
71.04994	7.0
71.08633	1.8
73.02921	1.9
77.03918	2.1
79.05497	83.0
80.06279	2.1
81.03427	16.9
81.07063	84.2
83.04985	19.2
83.08611	10.9
85.02911	2.4
85.06554	8.5
91.05484	84.2
92.05831	2.0
93.07046	63.2
95.01323	2.0
95.04971	63.5
95.08611	48.6
95.09068	1.1
96.05754	3.1
97.02898	6.9
97.06528	23.0
97.10163	11.4
98.20760	2.9
99.04487	2.6
99.08106	2.7
103.05441	3.3
104.06252	2.0
105.04555	2.8
105.07037	67.3
107.04958	57.5
107.08599	48.5
108.05742	2.2
109.02843	2.4
109.06519	42.6
109.10162	24.1
111.04443	7.8
111.08099	7.6
111.22731	1.8
113.06019	13.7
115.05453	8.4
117.07027	35.2
118.07363	1.9
119.04967	8.0
119.07799	3.6
119.08589	42.9
121.06495	15.4
121.10143	18.1
122.07269	13.0
123.04409	4.3
123.08075	12.3
123.11685	4.8
125.05977	4.0
125.09604	10.1
128.06245	9.1
129.07008	16.4
130.07785	2.6
131.08566	35.8
133.06493	16.7
133.10124	31.7
133.11090	2.2
135.08052	33.3
135.11678	14.5
137.06017	2.1
137.09651	9.1
139.07602	1.7
141.06995	6.1
143.08568	17.3
145.06473	10.0
145.10136	28.2
147.08054	23.0
147.11693	18.7
149.05937	1.9
149.09616	21.6
149.13271	6.1
151.11255	5.1
153.06982	1.7
153.09085	2.1
155.08551	6.0
157.10153	11.8
159.08047	5.2
159.11693	15.9
161.09653	16.7
161.13274	7.1
162.10406	2.6
163.07526	3.8
163.11176	15.1
165.09125	5.6
167.08609	3.0
169.10153	7.5
171.08037	2.7
171.11635	8.5
173.09634	5.1
173.13316	8.3
175.11180	5.6
175.14912	3.0
177.12735	6.6
179.14388	3.4
181.10106	2.1
183.11722	5.7
185.13306	7.3
187.11209	7.5
187.14786	4.5
189.11229	3.2
189.12758	4.1
191.14384	1.9
192.21599	1.7
195.11775	1.9
195.13844	4.0
197.13249	3.8
199.14888	4.3
201.12723	1.8
203.14362	2.8
205.12224	3.1
207.13820	3.1
217.15956	4.9
223.13326	5.0
225.12759	1.8
227.12820	7.9
233.15338	10.1
243.13869	2.3
245.19086	3.1
247.20563	2.8
257.19116	8.2
261.14957	1.8
267.16046	2.2
271.16812	4.1
273.18536	26.8
275.20093	44.9
279.16034	5.7
289.17990	7.0
290.18881	10.0
291.19562	67.4
292.20004	2.1
307.19061	3.6
309.20557	2.7
310.21765	1.8
347.22153	4.6
349.23749	25.3
363.21713	2.4
365.23218	13.9
381.22751	10.9
581.38226	4.1
609.37463	7.1
621.41321	2.9
627.38861	3.0
637.40515	6.2
655.42206	19.4
673.42645	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	673.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.7
53.03934	8.1
55.01873	7.2
55.05272	2.4
55.05514	31.8
57.03425	8.9
57.07074	2.5
57.38509	1.8
57.57874	2.3
59.04987	2.3
61.47781	1.7
65.03919	6.2
67.05509	95.9
69.03097	3.1
69.03436	53.5
69.07074	28.3
71.04996	5.3
71.66264	1.9
79.05018	2.0
79.05495	79.9
81.03420	31.1
81.07059	100.0
83.04977	12.7
83.08619	17.1
85.02888	6.1
85.06535	4.5
91.05485	68.6
93.07044	85.9
95.04977	21.1
95.08614	50.8
97.02891	7.7
97.06528	12.7
97.10158	2.1
98.20687	3.0
99.04445	3.8
99.08112	2.9
105.07034	49.5
107.04948	7.9
107.08596	45.6
109.02871	5.4
109.06526	7.5
109.10149	18.4
111.04432	7.7
111.08064	4.9
115.05462	4.3
117.07020	30.7
119.04977	2.6
119.08588	34.1
121.06490	9.2
121.10144	32.3
123.04428	3.4
123.08079	6.2
123.11683	9.4
125.09640	3.7
127.03912	5.5
128.06186	3.2
129.05522	3.2
129.07001	15.7
129.79984	2.0
130.07724	2.2
131.08578	33.8
133.06491	8.0
133.10124	28.6
135.04431	1.8
135.08041	5.1
135.11711	19.4
137.09618	4.9
137.13245	1.9
139.11160	1.9
141.06987	3.9
143.08546	11.1
145.05359	1.8
145.06473	5.7
145.10141	21.9
147.08008	5.0
147.11685	16.1
149.06021	2.4
149.09604	5.3
149.13269	19.6
151.07585	3.9
151.11226	2.6
154.07767	2.3
155.08539	8.1
157.06523	2.5
157.10139	12.6
159.08020	4.5
159.11676	22.5
161.09686	4.2
161.13234	7.5
163.11159	5.4
165.06993	3.5
167.08432	3.6
169.10126	7.2
171.07982	4.5
171.11690	8.5
173.09656	2.7
173.13257	7.5
175.11203	5.3
175.14859	3.4
177.12729	8.4
181.10190	4.0
183.11705	4.8
185.09666	4.4
185.13237	4.7
187.11183	2.9
187.14890	3.0
189.12723	2.8
191.10680	2.7
195.11810	4.4
195.13792	16.2
197.09496	3.4
197.13240	6.4
199.11191	3.3
199.14751	4.6
209.13318	2.4
215.14394	2.8
221.15269	2.2
227.14348	2.0
233.15393	3.2
243.13731	2.2
247.17020	2.3
259.20584	4.9
269.17474	18.7
277.21567	4.2
289.21384	2.5
301.21503	8.5
303.23248	3.2
315.23087	2.0
319.22699	2.3
327.23181	4.6
329.21329	2.2
335.25772	3.1
339.18179	3.9
341.24860	5.0
351.23215	7.6
353.24765	2.4
369.24216	15.8
387.25275	9.2
395.20654	3.5
405.26376	2.6
420.01276	2.1
443.27945	5.5
461.28906	10.4
519.29791	2.4
529.38617	2.7
587.40131	2.9
637.40472	9.0
655.41919	9.4
673.31482	4.1
673.43085	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	673.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50705	2.0
53.03942	5.2
55.01886	3.3
55.05517	21.5
57.03431	7.3
57.07055	3.6
65.03944	4.0
67.05509	56.5
69.03423	9.9
69.07072	16.6
70.06596	2.7
71.04994	14.2
73.95821	2.1
79.05497	30.6
81.03432	22.0
81.07063	100.0
83.04978	18.5
83.08623	11.1
85.02917	5.0
85.06538	7.3
91.05486	30.0
93.07052	26.0
95.04963	7.8
95.08601	17.1
97.02909	5.3
97.06548	10.3
97.10168	4.2
99.04475	3.2
99.08097	4.9
105.07046	30.5
107.04977	5.5
107.08604	19.3
109.02869	4.6
109.06521	9.9
109.10154	12.0
111.04474	4.5
111.08071	3.2
117.07021	7.5
119.08588	20.3
121.06494	4.7
121.10148	16.7
123.08068	2.9
123.11711	22.0
125.09629	2.2
127.03893	4.6
129.05515	4.7
129.06992	3.7
131.08569	7.4
133.10117	14.7
135.08052	4.3
135.11737	3.7
137.13188	2.5
145.10158	5.6
147.11705	36.4
149.02328	3.4
149.09612	2.7
149.13289	8.1
151.11223	3.7
157.10178	3.0
159.11700	4.2
161.09729	2.6
163.11186	6.0
165.12756	13.3
171.11708	2.3
173.04504	8.7
173.05887	2.2
173.13318	2.5
177.12709	3.1
181.15334	2.3
183.13852	4.8
187.13298	7.5
193.12234	3.0
195.13799	3.5
205.54443	2.0
211.13242	2.6
225.14810	3.2
229.14333	5.3
267.15973	33.9
269.17438	7.4
273.18481	4.4
281.08560	2.6
285.17038	18.6
291.19659	6.6
378.64685	2.2
413.21860	2.5
445.24261	8.7
453.28683	25.3
467.29858	6.5
477.28638	3.4
479.30124	41.0
511.32590	8.3
623.34845	3.7
655.35992	10.9
673.42664	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	672.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01859	2.2
55.05515	11.3
57.03447	5.8
57.07079	39.1
61.02934	15.2
65.03934	1.5
67.05508	32.3
68.05836	2.6
69.03419	5.9
69.07073	11.5
71.04993	2.7
71.08635	29.4
73.02908	5.6
75.04462	2.3
78.18336	1.0
79.05502	14.2
80.05834	1.4
81.03429	8.1
81.06593	1.9
81.07060	35.2
82.07390	3.5
83.04990	3.1
83.08621	14.3
85.02911	19.2
85.06537	2.0
85.10187	17.0
86.72575	1.0
91.03960	12.3
91.05485	13.6
92.05827	2.0
93.07059	11.6
94.07382	2.2
95.04990	5.6
95.08614	29.3
96.08955	1.8
97.02892	9.5
97.06522	4.6
97.10174	7.2
98.20743	3.2
99.04436	1.3
99.08046	1.2
99.11728	1.7
103.03912	1.2
103.07558	1.4
105.07043	12.3
106.07346	2.5
107.04951	3.7
107.08582	6.2
108.08939	1.9
109.02897	1.7
109.06529	2.8
109.10167	17.9
110.10519	1.2
111.04425	1.8
111.08064	1.6
111.11737	1.3
113.06000	1.5
117.06998	3.3
118.07398	1.5
119.08614	6.9
120.08920	2.2
121.06482	2.7
121.10114	3.8
123.11723	6.5
125.09654	1.2
127.03909	5.9
128.06267	1.2
129.07008	3.4
130.07323	1.4
131.08572	6.3
132.08913	1.6
133.06389	1.3
133.10124	4.5
134.10474	1.6
135.08031	1.2
135.11678	3.0
137.13202	1.4
141.06984	1.6
143.08511	2.8
145.04965	7.6
145.06512	1.6
145.10115	4.8
146.10403	1.6
147.11674	3.6
149.13177	1.4
155.08531	2.9
157.10139	2.1
159.11705	3.4
163.06023	10.1
163.11185	2.5
165.16362	1.4
167.08521	1.5
169.10133	2.4
170.10564	1.4
171.11647	1.4
173.13272	1.2
175.11143	1.6
183.11667	2.5
184.12177	1.2
185.13263	1.5
208.12061	1.2
222.68425	1.1
239.23730	23.9
257.24744	3.9
263.25140	1.5
273.18338	2.2
275.20151	1.4
291.19650	1.8
313.27383	100.0
314.27652	2.1
331.28433	32.9
428.09436	1.2
636.39276	3.2
654.40619	4.7
672.32397	2.3
672.41919	11.6
673.39606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3411
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
55.01871	1.4
55.05505	2.1
57.03431	2.0
59.05001	0.9
61.02934	4.0
67.05508	10.8
69.03430	3.8
69.07066	1.8
71.04996	1.4
71.51245	0.7
73.02939	3.0
79.05482	4.8
81.03423	7.2
81.07059	6.4
82.07363	0.6
83.04998	1.2
83.08624	1.7
85.02914	4.9
86.65713	0.6
87.04469	0.8
91.03957	2.7
91.05489	5.5
93.07041	4.3
95.04977	3.5
95.08609	2.2
97.02899	4.8
97.06543	2.1
97.10215	0.9
99.04484	1.6
101.02410	1.4
105.07060	2.5
107.04972	1.3
107.08604	2.1
109.02905	1.9
109.10172	7.3
111.08053	0.7
117.07031	1.0
119.08609	3.5
121.06524	1.5
121.10159	1.9
123.04414	3.0
125.09637	1.2
127.03961	1.8
129.07048	0.9
131.08591	1.9
133.06587	1.3
133.10138	2.4
135.11696	1.1
137.09654	0.8
139.03897	1.0
145.04967	1.0
147.04485	1.2
147.11714	1.7
149.06007	0.8
149.09639	2.6
151.03897	1.2
153.01797	0.9
157.10194	1.2
161.06010	1.3
163.11261	1.1
167.07030	6.1
173.04555	0.7
173.11818	1.9
175.11273	1.3
181.05040	1.1
181.12334	0.8
193.08635	2.6
193.12311	2.6
195.09964	0.9
197.72800	0.7
211.13380	1.8
219.10243	1.9
229.14363	2.1
243.08543	1.6
245.04533	2.0
267.15973	2.1
283.15231	3.1
287.05554	2.6
413.17868	9.9
425.08746	1.2
477.28568	1.1
493.28302	0.7
501.23059	9.2
532.11566	0.8
536.08582	0.7
673.34100	100.0
674.34247	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	672.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.05512	8.9
57.03444	7.2
57.07090	1.1
59.05004	1.4
61.02918	1.1
64.05750	0.8
65.03940	1.1
67.05508	33.2
69.07072	9.4
70.06029	2.5
70.06419	1.6
71.04983	2.8
78.76325	0.9
79.05500	33.7
81.03416	2.9
81.07063	36.3
83.04995	6.0
83.08627	5.5
85.02910	1.0
85.06522	2.0
91.04911	1.1
91.05485	25.2
93.07050	41.0
95.04017	1.1
95.04967	6.5
95.08067	1.1
95.08623	13.8
97.02904	1.1
97.06563	5.0
97.07085	1.0
97.10184	2.0
99.08097	1.4
104.44648	0.8
105.04533	1.3
105.07040	15.1
107.04973	2.0
107.08601	15.6
109.06537	3.0
109.10161	2.6
111.08085	3.0
117.07014	5.6
119.08611	10.2
121.06525	2.4
121.10170	6.9
123.08047	1.6
125.09657	1.3
128.06291	0.9
129.07024	6.1
131.08597	4.4
133.06473	0.9
133.10144	5.9
135.11708	4.0
143.08563	3.1
145.10114	4.6
147.08032	1.2
147.11684	12.7
149.13269	10.2
159.11711	5.2
161.09601	1.6
161.13295	4.1
163.11154	1.3
171.11678	10.9
177.12749	1.7
189.12810	3.5
195.13805	2.9
207.13794	9.4
225.14983	1.3
269.17508	27.5
281.17505	23.0
301.32230	1.0
475.30591	100.0
476.30893	2.4
619.34863	1.6
684.06451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.2
55.01861	8.9
55.05517	31.9
57.03453	12.7
57.07080	3.0
65.03935	7.3
67.05507	81.2
69.03434	22.5
69.07076	24.3
71.04995	7.8
77.03909	1.9
79.05497	68.5
81.03423	25.7
81.07062	100.0
83.04987	13.9
83.08627	18.3
85.02906	8.2
85.06541	7.8
91.05483	74.0
93.07044	60.4
93.56204	1.9
95.04974	22.2
95.08613	40.9
97.02903	6.8
97.06534	8.6
97.10173	4.2
99.04459	4.5
103.05466	2.3
105.04518	2.6
105.07038	49.5
107.04983	17.1
107.08601	36.8
109.02888	6.8
109.06547	9.6
109.10159	11.5
111.04459	7.7
111.08093	6.4
113.52340	1.9
115.05447	9.9
116.46606	2.4
117.07014	30.7
119.04929	2.5
119.08591	34.0
119.35539	2.0
121.06492	10.2
121.10144	19.5
123.08112	5.4
123.11729	9.0
125.09636	3.9
127.03906	3.7
128.06248	7.3
129.07013	25.7
130.07805	2.1
131.04927	2.5
131.08577	37.0
133.06508	6.8
133.10130	27.9
135.08075	10.1
135.11694	14.0
135.86433	2.1
137.09686	3.0
139.45653	2.0
141.06987	10.9
142.07829	3.4
143.08574	25.4
145.06508	8.8
145.10129	26.0
145.11151	2.4
147.08072	7.4
147.11687	23.1
149.09613	8.5
149.13286	14.8
153.07057	4.3
154.07838	2.3
155.08545	17.7
157.06519	4.6
157.10136	18.9
159.08087	5.5
159.11707	24.1
161.06029	2.8
161.09668	8.4
161.13298	7.6
163.11218	6.9
165.07002	5.7
165.12762	7.7
167.08598	8.5
168.09425	2.9
169.06558	3.1
169.10118	13.6
171.08101	5.0
171.11734	12.7
173.09663	7.1
173.13321	9.1
175.11224	4.1
175.14906	2.6
177.08969	1.9
177.12804	6.8
179.08577	6.4
180.09277	2.0
181.10124	11.5
183.08084	5.6
183.11702	12.9
185.09650	6.5
185.13287	6.6
187.11237	7.2
187.14893	3.6
191.08482	2.3
191.10629	2.4
193.10089	4.9
193.12393	2.3
195.07980	2.6
195.11739	7.6
195.13864	8.9
197.09639	6.3
197.13272	9.8
199.11180	6.6
199.14919	4.4
201.12753	4.7
203.14288	2.1
205.10265	2.5
207.11783	6.6
209.09689	1.9
209.13322	8.4
211.11198	3.9
211.14893	4.0
213.12810	5.5
215.14299	2.3
221.13242	5.1
223.11235	3.4
223.14830	4.3
225.12766	3.7
227.14378	2.7
231.14040	2.3
233.15445	2.5
235.14944	3.6
237.16513	2.4
237.92204	2.0
239.14334	2.5
251.14334	3.1
257.19083	4.7
259.20599	3.4
266.69455	1.8
267.15967	4.9
269.15280	1.7
269.17542	13.4
271.20721	2.0
273.18661	3.3
275.20294	4.4
283.20883	2.2
285.16806	2.7
287.20114	2.3
295.20801	3.4
297.21851	2.9
299.20270	4.3
301.21689	3.5
305.17935	2.6
313.21735	3.4
315.23154	2.4
321.22171	4.2
323.23450	2.3
325.21457	3.8
337.21597	4.3
339.23062	4.4
343.22623	3.5
349.21820	7.7
351.23264	7.5
355.22806	2.7
367.22577	14.7
369.24438	6.4
385.23767	7.6
403.24619	3.6
441.26575	4.9
443.27933	2.1
459.27634	4.6
525.33948	2.0
527.37524	4.0
569.37885	2.4
593.39221	2.9
607.40137	2.6
611.39606	3.4
617.38495	5.7
623.39569	5.6
635.39349	24.9
653.40753	36.5
671.41522	69.0
672.40790	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	671.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62919	1.9
53.03946	10.7
55.01870	12.8
55.05273	2.6
55.05515	35.8
57.03437	11.7
57.07082	4.2
65.03936	7.2
67.05508	88.7
68.05841	2.5
69.03145	2.1
69.03437	23.3
69.07073	25.4
69.32416	21.4
71.04989	8.0
73.02887	2.8
79.05496	67.7
80.22244	1.9
81.03421	34.7
81.07059	100.0
83.04968	12.1
83.08617	16.3
85.02892	8.0
85.06549	3.8
91.05485	76.5
93.07048	67.4
93.07633	3.4
95.04973	23.0
95.08606	43.6
95.28648	2.1
97.02891	10.4
97.06554	11.2
97.10200	5.4
99.04456	5.8
99.08077	3.6
101.05908	2.3
103.05454	3.1
105.04493	3.9
105.07042	61.6
107.04326	3.0
107.04966	16.8
107.08593	40.1
109.02887	7.7
109.06536	11.0
109.10159	14.8
111.04449	5.5
111.08081	3.7
115.05461	6.8
117.07023	37.3
119.04954	1.9
119.08586	38.5
121.06499	10.2
121.10149	25.5
122.20482	2.3
123.04438	4.2
123.08064	5.4
123.11710	9.5
125.09701	3.3
127.03911	5.5
128.06242	11.3
129.07013	24.3
130.07773	3.9
131.04950	4.1
131.08577	51.1
133.06480	6.1
133.10130	32.7
135.08060	9.7
135.11681	12.1
137.05965	3.8
137.09645	3.3
141.06995	12.1
142.07771	5.7
143.08565	24.6
145.06509	7.0
145.10129	32.1
147.08029	5.4
147.11697	24.6
149.09645	6.2
149.13281	14.1
151.11232	3.5
153.07007	4.1
154.07791	3.1
155.08569	19.9
156.09328	2.1
157.06520	4.5
157.10117	22.1
159.08044	6.5
159.11699	23.1
161.09674	6.1
161.13234	5.5
163.11197	3.8
165.07045	4.7
165.12796	5.8
166.07797	3.1
167.08626	13.7
168.09377	2.8
169.10150	19.5
171.08093	5.1
171.11713	20.0
173.09650	7.9
173.13234	11.6
175.11176	3.6
175.14925	2.9
177.12799	4.5
179.08586	8.1
180.09239	3.6
181.06540	3.2
181.10138	12.4
183.08110	5.5
183.11720	16.8
185.09642	6.4
185.13286	7.9
187.11211	8.7
187.14864	6.2
193.10123	6.7
195.08110	4.2
195.11714	10.2
195.13579	4.2
197.09624	6.9
197.13293	9.8
199.11218	4.4
199.14809	7.4
201.12759	5.1
205.10156	5.0
207.11708	8.0
209.09622	4.3
209.13268	9.4
211.11212	4.3
211.14886	6.3
213.12733	4.5
217.10167	2.4
219.11766	5.9
221.09593	3.4
221.13283	6.5
223.11237	4.4
223.14856	6.9
225.12956	3.3
225.16447	3.7
229.12131	3.6
233.13281	3.2
237.16391	5.4
239.14285	4.5
241.19667	2.5
253.15887	3.1
257.19144	4.1
259.20508	5.5
267.15823	5.7
269.17386	13.8
271.20621	4.8
273.22073	3.3
275.20248	4.0
283.20667	3.0
287.20233	4.2
297.22150	3.2
299.20090	2.8
309.22083	3.3
313.21457	5.2
315.23285	3.6
325.21591	5.4
339.23193	6.5
349.21545	10.2
351.19067	3.2
351.23318	7.0
367.22723	14.9
380.07037	2.8
385.23590	5.5
441.26678	4.2
459.27130	5.6
525.34137	2.5
527.37280	5.2
531.34509	3.1
561.36090	3.4
593.38568	3.2
607.39758	3.5
611.39838	3.1
617.38470	6.0
623.39069	7.2
635.39545	28.5
653.40479	29.9
671.41467	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.6
52.17849	1.7
53.03951	10.4
55.01869	7.2
55.05516	30.6
57.03436	13.7
57.07078	3.7
62.78820	2.0
65.03931	6.5
67.05510	76.1
69.03435	29.9
69.07069	24.9
69.27543	8.5
69.27973	11.4
71.04977	7.9
77.03930	3.2
79.05494	67.0
81.03418	30.4
81.07061	100.0
83.04982	12.6
83.08616	14.2
85.02898	7.3
85.06566	6.1
91.05489	79.5
93.07052	65.4
95.04977	20.6
95.08611	42.9
97.02892	6.0
97.06544	10.1
97.10176	5.0
98.21516	4.6
99.04459	5.9
99.08118	2.6
100.21149	2.1
103.05470	2.9
105.07034	58.7
107.04967	20.9
107.08588	41.0
109.02890	5.5
109.06528	7.7
109.10166	13.5
111.04452	6.5
111.08099	5.0
115.05477	8.2
117.07035	31.0
119.08587	34.6
121.06537	11.7
121.10139	19.0
123.04411	3.1
123.08118	5.6
123.11700	9.9
127.03929	4.9
128.06250	10.8
129.05537	2.5
129.07025	25.1
130.07709	2.1
131.04846	3.3
131.08575	38.1
133.06523	10.4
133.10146	27.8
135.08061	10.1
135.11697	12.2
137.09615	3.9
141.06972	11.1
142.07797	7.9
143.08565	26.7
145.06528	9.1
145.10129	29.9
147.08055	5.9
147.11702	26.4
149.09662	6.9
149.13289	15.2
153.07024	5.4
154.07777	4.3
155.08568	22.5
156.09386	4.8
157.06543	5.3
157.10138	21.3
158.07390	2.2
158.53308	2.1
159.08073	6.5
159.11690	22.6
161.09715	2.9
161.13293	7.2
163.11255	5.2
163.14816	2.3
165.07007	6.1
165.12756	4.5
167.08595	8.7
168.09322	2.8
169.10110	19.7
171.08075	6.8
171.11696	15.8
173.09639	6.3
173.13277	12.9
175.11258	4.7
175.14914	3.4
177.12811	6.8
179.08636	6.4
180.09380	3.0
181.06500	2.3
181.10120	12.1
183.08110	7.4
183.11708	17.3
185.09648	7.3
185.13292	11.9
187.11169	5.2
187.14833	4.0
189.12860	3.0
191.14313	2.8
192.09422	2.2
193.10182	8.2
194.10941	2.4
195.08128	4.2
195.11757	13.3
195.13863	10.9
197.09657	7.2
197.13245	12.9
199.11205	5.7
199.14879	7.1
207.11761	6.1
209.09691	5.0
209.13310	5.5
211.11311	4.0
211.14845	5.0
213.12781	4.6
215.14412	3.7
219.11720	3.2
221.13359	8.3
223.11256	3.0
223.14891	7.4
225.12856	4.6
225.16391	2.8
227.14337	2.8
231.11891	2.5
235.14879	3.5
237.12766	5.2
237.16695	2.8
241.19646	3.6
243.13829	3.7
255.17546	2.7
257.19080	4.8
259.20584	3.7
267.15909	6.1
269.17438	16.2
271.20609	4.2
275.20267	4.1
283.20554	3.1
285.16824	2.3
295.20673	3.4
297.22018	2.5
299.20230	4.6
301.21802	4.8
313.21994	3.5
321.22110	5.1
325.21658	5.8
337.21689	2.9
339.23413	6.7
349.21686	10.1
351.23312	7.4
365.20776	2.4
367.22675	14.4
369.24255	5.3
385.19427	2.1
385.23575	10.3
403.24786	2.8
441.26398	6.2
459.27478	4.4
501.34131	2.5
527.24298	2.2
527.37323	4.4
543.35522	3.8
593.38513	3.0
607.39594	2.4
611.39758	3.3
617.38940	4.4
623.39490	8.7
635.39532	21.2
653.40527	26.6
671.41620	67.9
672.41742	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	671.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96127	1.6
51.02393	2.9
53.03946	10.9
55.01869	7.2
55.05516	32.0
57.03444	10.3
57.07083	4.4
58.53724	1.8
58.63188	2.1
63.82714	1.7
65.03945	9.3
67.05508	78.5
69.03434	26.2
69.07069	26.9
71.01368	2.2
71.04990	8.9
77.03913	2.3
77.54663	1.9
79.05502	71.8
81.03423	32.3
81.07063	100.0
83.04994	14.4
83.08628	15.9
83.27749	2.1
85.02913	7.5
85.06532	4.6
86.31015	1.8
87.04465	2.0
91.05486	76.0
93.07053	75.9
94.38538	1.7
95.04960	19.8
95.08617	42.1
97.02901	6.3
97.06515	10.1
97.10176	4.3
99.04478	4.6
99.08080	2.4
99.63192	1.7
103.05462	3.4
105.04527	4.1
105.07044	64.5
107.04955	19.1
107.08600	40.1
109.02886	7.8
109.06545	8.6
109.10168	12.8
111.04444	5.0
111.08096	4.6
113.09621	2.1
115.05458	6.1
117.07024	33.2
119.08592	43.9
120.66725	1.8
121.06506	12.7
121.10149	19.6
123.08082	6.9
123.11723	8.4
125.09653	3.1
127.03912	4.4
128.06226	9.1
129.05580	2.5
129.07008	28.5
130.07790	3.3
131.04903	2.2
131.08575	42.5
133.06511	7.2
133.10147	29.0
135.08081	9.6
135.11717	13.7
137.06026	3.7
137.09615	3.7
141.07018	11.8
142.07788	9.3
143.08574	29.2
144.09409	2.3
145.06511	11.3
145.10143	27.4
147.08081	6.3
147.11691	25.4
149.05983	2.2
149.09656	5.7
149.13277	15.4
151.07481	1.8
151.11162	3.8
153.07030	5.3
154.07802	4.0
155.08563	20.7
156.09373	2.5
157.06471	4.5
157.10173	21.7
158.07329	2.2
159.08086	7.2
159.11691	23.7
161.09683	5.2
161.13292	6.3
163.11186	3.3
165.07024	7.4
165.12843	5.2
166.07869	4.0
167.08560	14.5
168.09390	2.2
169.10149	19.9
171.08078	7.4
171.11681	21.6
173.06007	2.4
173.09653	6.3
173.13271	10.2
175.11263	4.5
175.14899	4.4
177.12767	6.4
179.08588	9.5
179.14363	3.0
180.37621	2.2
181.10141	15.4
183.08080	3.9
183.11693	17.0
185.09685	7.6
185.13255	12.1
187.11153	4.7
187.14882	4.0
189.12752	2.3
191.08430	2.2
193.10170	11.0
194.11038	2.2
195.08069	3.2
195.11754	13.2
195.13852	9.7
197.09676	5.4
197.13330	11.3
199.11182	5.1
199.14882	6.8
201.12772	4.3
201.16510	2.3
205.10158	2.6
207.11743	8.0
209.09668	3.0
209.13281	7.2
211.11221	5.0
211.14894	5.9
213.12741	5.8
213.16466	2.9
215.14427	2.8
219.11694	3.7
219.13754	2.4
221.13370	5.1
223.11217	3.2
223.14888	4.5
225.12737	4.4
225.16357	3.1
227.14383	4.7
229.12245	3.2
229.63150	2.3
231.13840	2.6
231.17688	2.1
233.13391	3.4
233.15564	2.1
235.17078	2.1
237.12758	2.4
239.14314	2.9
241.19643	2.2
249.12827	2.2
251.14502	2.1
257.19073	4.4
259.20679	7.2
267.16019	6.3
269.17493	18.4
271.20581	3.2
275.20053	3.6
281.19098	1.8
283.16983	2.1
285.17044	4.1
287.20276	3.0
295.20551	2.9
295.86115	1.8
299.20099	5.8
301.21783	3.7
307.20386	2.7
311.20261	2.6
313.21844	4.4
321.22180	3.8
325.21609	6.2
337.21671	3.4
339.18356	2.4
339.23251	7.7
343.22726	3.0
349.21603	9.1
351.23209	8.6
357.24365	2.6
367.22665	13.9
369.24490	4.5
385.23846	7.3
403.24838	2.4
441.26376	6.7
459.27588	7.8
525.35327	4.1
527.37079	3.0
533.35822	2.2
543.34570	2.2
561.35504	2.2
579.37256	3.7
581.37939	2.4
593.38538	2.4
607.39923	3.7
617.38147	3.3
623.39508	4.1
635.39520	22.0
653.40594	30.1
671.41602	64.8
672.41656	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	671.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03182	3.8
53.03938	11.9
55.01868	13.2
55.05519	47.9
57.03427	10.9
63.12281	4.2
67.05505	65.7
69.03432	23.9
69.07067	14.8
69.17243	8.2
69.17641	35.3
70.06609	4.9
71.05003	19.0
79.05494	50.9
81.03427	87.2
81.07069	61.3
83.04989	29.7
83.08630	28.5
84.08142	4.1
85.02906	14.3
91.05488	50.9
93.07047	35.8
95.04974	32.4
95.08604	29.9
97.02899	20.0
97.06533	13.5
97.10168	34.7
99.04501	4.8
105.07032	26.3
107.04962	23.2
107.08588	29.7
109.02874	5.2
109.06535	13.0
109.10144	17.0
111.04422	10.2
111.08079	9.3
117.07038	12.1
118.80698	4.2
119.05041	4.7
119.08599	31.0
121.06511	14.9
121.10142	19.2
123.04442	11.8
123.08115	9.2
123.11700	6.8
125.09653	29.6
127.03927	9.0
128.06203	5.6
129.05417	7.2
129.07001	16.5
131.04893	6.3
131.08630	20.3
131.09442	4.0
133.06483	6.5
133.10135	19.1
135.04396	7.5
135.08060	13.2
135.11720	6.1
137.09650	6.7
139.03888	5.3
143.08571	6.8
145.06470	11.6
145.10127	15.5
147.04361	6.7
147.08025	7.8
147.11674	15.2
149.09598	9.4
150.63937	3.6
151.11217	5.0
153.09106	5.2
155.08517	7.6
157.10175	17.6
159.08092	4.3
159.11661	6.9
161.09673	4.1
163.11201	15.4
164.22049	4.7
165.12801	4.9
169.06340	4.7
173.04384	5.7
173.11754	4.4
175.11224	12.3
189.11179	10.5
193.12245	25.4
211.13359	11.3
217.12289	3.9
219.13841	6.0
225.12914	6.2
227.12794	18.1
233.15335	11.3
249.14865	7.9
255.13857	7.5
259.13315	5.6
267.15942	32.1
273.14801	11.0
283.15475	6.3
297.63907	4.2
298.08005	4.1
339.23337	6.5
349.21658	7.1
367.22900	29.3
385.23843	34.4
403.24768	18.7
441.26083	8.1
459.27393	100.0
477.28439	80.6
484.94373	4.0
491.29816	15.1
509.31042	11.5
621.32281	11.0
653.33838	6.6
671.35950	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	671.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01865	0.8
55.05504	1.8
57.03429	1.7
57.07084	1.1
67.05505	5.0
69.07063	2.3
71.50832	1.4
79.05491	4.2
81.03438	1.4
81.07055	5.4
83.05011	1.2
83.08614	1.1
91.05472	4.0
93.07052	4.3
95.04958	1.3
95.08621	3.3
97.10148	1.2
99.04487	0.9
105.07050	3.3
107.04952	1.0
107.08614	3.1
109.06573	0.8
109.10178	1.7
117.07045	1.3
119.08608	2.1
121.10137	1.1
129.07010	1.2
131.08618	1.2
133.10143	1.5
135.08040	0.9
135.11746	1.0
143.61215	0.8
145.10057	1.6
157.10170	0.9
158.06128	0.8
173.13380	0.9
205.18501	0.8
207.17471	1.2
207.75638	0.7
213.06607	0.8
214.66521	0.8
223.12318	0.9
233.10608	0.9
234.58722	0.7
237.10237	1.4
239.11961	1.3
239.71805	1.0
243.11368	2.2
249.10327	1.0
249.14116	0.9
261.13916	0.9
273.22073	0.9
274.94754	0.8
302.13016	0.9
303.14340	0.9
307.14282	1.1
318.12341	0.8
321.16196	0.8
333.14801	1.1
335.26065	2.0
351.16550	0.8
352.16736	0.8
353.18176	0.9
362.16046	1.0
365.17926	1.3
367.19382	1.0
377.17798	1.1
378.14594	0.9
381.17136	1.7
389.17932	0.9
393.16895	1.1
395.18744	2.3
396.19702	0.9
397.17569	1.1
407.18567	1.2
408.19934	0.9
409.20218	2.2
410.21158	1.3
417.16940	1.1
419.18442	1.3
421.20438	1.3
422.21259	1.3
423.18054	1.6
424.18842	1.1
431.18927	1.6
432.19821	0.8
433.20575	1.5
435.17618	1.1
436.18878	1.5
437.19910	3.4
438.20529	3.0
439.21747	1.5
445.20255	2.1
447.22067	2.5
448.18820	1.0
449.19534	2.1
450.20609	2.4
451.21509	2.7
453.22968	8.6
454.23251	1.0
460.22964	2.2
461.23914	1.1
462.20654	1.4
463.21304	1.6
464.22284	1.4
466.20551	0.8
467.24808	1.4
468.17746	1.2
469.25711	1.6
473.23956	0.9
474.24747	1.9
475.21396	3.2
476.22418	1.5
477.23157	2.1
478.20544	1.6
479.20459	1.5
481.22485	1.1
482.23187	1.1
483.23868	1.0
491.21109	3.2
492.21600	1.5
493.22556	1.7
495.24454	1.4
497.25528	3.7
502.23486	2.9
507.20090	1.4
508.24088	0.9
509.22025	1.2
512.27979	4.4
521.21881	1.3
522.22266	5.5
523.22900	1.5
524.24304	4.8
525.24854	4.3
529.22412	1.2
530.23151	0.9
533.25146	2.5
535.23798	1.5
536.23816	1.4
537.23566	0.9
538.25708	2.0
539.26495	1.8
540.27252	9.7
545.25470	1.9
551.22394	8.0
552.23840	3.4
561.25006	1.6
563.26276	2.8
565.24298	1.4
567.25922	2.2
579.23553	1.2
584.26648	0.9
589.24365	7.7
595.26563	1.3
607.25610	2.0
609.27142	1.8
611.24915	23.5
612.25671	1.6
621.26678	1.5
627.28046	7.2
639.24927	21.3
653.29944	2.2
671.30780	100.0
672.30829	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	670.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.7
53.03955	0.9
53.14125	0.3
55.01877	0.9
55.05505	1.0
63.92742	0.3
65.03947	0.5
67.05499	1.5
68.99788	1.5
69.03416	0.6
69.07074	0.6
69.29565	3.3
70.06592	0.8
71.05000	0.4
72.08160	0.5
77.03912	0.4
79.05484	2.0
81.03425	0.8
81.07063	2.9
82.04314	0.4
84.04509	1.0
90.12203	0.4
91.05482	1.4
91.17899	0.3
93.07027	1.3
95.04959	1.4
95.08609	1.1
96.04476	0.6
97.02905	0.9
98.21500	0.8
103.05459	0.4
105.03374	0.9
105.07018	1.1
107.04941	0.8
107.08598	0.9
109.02884	2.2
109.10140	1.6
114.78825	0.4
119.04919	0.8
119.08603	0.5
121.02872	0.6
121.06499	1.0
121.10123	0.4
123.04432	34.8
123.08048	0.7
124.04780	0.9
125.02387	0.9
127.03935	0.8
130.05040	0.5
134.31773	0.4
135.04410	1.7
137.05992	1.1
139.03906	1.2
145.10109	0.5
147.04433	2.9
148.06100	0.5
149.05977	2.1
149.09618	0.8
151.03905	86.6
152.04263	2.7
153.01843	3.5
159.07988	0.6
161.05992	1.7
163.03905	9.1
163.07581	0.5
164.04303	0.5
165.05493	2.8
176.04642	0.5
177.05473	5.2
177.09061	3.2
189.05452	2.0
195.10223	0.7
201.09085	1.3
203.10686	1.4
218.08537	0.4
219.10162	100.0
220.10504	5.3
231.10143	2.9
264.74362	0.4
353.13870	3.5
354.14240	0.4
371.14883	0.7
605.04791	0.4
640.22424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05507	1.5
57.03437	0.6
57.07064	1.1
66.67561	0.4
67.05508	4.3
69.03432	0.7
69.07069	1.4
70.46292	0.9
70.46655	0.5
71.08626	0.7
78.83115	0.3
79.05494	3.3
81.03414	1.1
81.07060	4.3
83.04985	1.4
83.08619	1.3
91.05479	1.6
93.07047	3.9
95.04996	0.4
95.08611	3.8
97.06532	0.4
97.10162	0.6
105.07040	2.5
107.08587	2.0
109.10180	1.5
119.08591	1.6
121.10176	1.1
129.05504	0.8
131.08615	0.4
133.10150	1.3
134.90182	0.3
135.11681	0.6
139.03641	0.4
145.10112	0.6
147.11737	0.7
159.11682	0.7
173.13412	0.4
175.14961	0.4
226.19226	0.4
259.20767	0.5
299.19711	0.4
301.21487	0.6
311.50348	0.4
313.27460	0.7
317.20880	2.6
319.22418	2.0
333.24454	0.4
373.23587	3.1
375.25003	2.1
412.82623	0.4
507.40176	0.6
582.27972	0.5
599.39569	0.6
637.26508	0.6
669.47058	100.0
670.47406	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	669.419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01863	0.8
55.05500	1.8
57.03427	1.5
57.07077	4.0
61.02933	4.3
67.05181	0.6
67.05511	8.0
69.03430	2.8
69.07069	1.3
71.04980	0.9
71.08640	2.5
71.43015	0.8
73.02920	3.1
79.05491	1.5
81.03434	2.1
81.07059	3.6
83.04990	1.3
83.08622	1.6
84.04504	1.4
85.02911	5.4
85.06518	0.4
85.10174	1.2
91.03957	3.1
91.05479	1.6
93.07070	1.4
95.04983	0.6
95.08620	3.2
97.02900	3.8
97.06509	0.6
97.10163	0.6
99.04465	0.8
101.02394	1.6
103.03910	0.7
105.07039	1.2
107.08609	1.1
107.30819	0.4
109.02872	1.0
109.10168	7.7
113.89268	0.4
115.03950	0.4
117.07039	0.5
119.08588	1.6
121.10144	0.9
123.11676	0.5
125.09656	0.4
127.03938	1.5
129.05502	0.8
129.07021	0.4
131.08578	0.8
133.10170	0.6
135.11714	0.4
137.09634	0.5
155.10672	0.7
157.10115	0.5
173.11784	1.9
173.13144	0.5
182.28186	0.4
183.11839	0.5
185.04248	0.6
195.10059	0.5
203.05150	0.6
227.12775	0.5
229.14384	1.2
239.23805	0.5
243.08464	1.6
313.27350	2.2
413.17844	9.9
497.24109	0.4
497.30914	4.8
507.40588	0.4
530.41992	0.5
552.68585	0.4
651.45648	0.5
669.41840	100.0
670.42230	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	669.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.4
55.01868	6.2
55.05517	24.2
57.03431	6.0
57.07074	3.4
65.03915	3.3
65.92575	1.9
67.05509	77.7
69.03432	12.6
69.07076	13.2
71.04989	20.0
76.46639	2.2
79.05493	67.1
81.03419	42.4
81.07056	100.0
83.04977	21.1
83.08615	10.5
85.02902	7.4
85.06555	5.3
87.80727	1.9
91.05486	63.5
93.07046	58.2
95.04971	21.2
95.08611	30.1
97.02879	9.2
97.06536	8.6
97.10148	6.2
99.04469	4.5
103.05471	3.1
105.07036	43.4
107.04940	9.2
107.08599	26.3
109.02892	5.5
109.06499	4.7
109.10143	8.7
111.04435	5.5
111.08077	4.4
115.05376	3.0
117.07016	9.7
119.08595	21.5
121.06427	2.6
121.10159	10.4
123.08088	3.3
123.11737	11.4
125.56811	2.1
127.03896	5.0
129.05482	4.6
129.07004	14.7
131.08588	10.1
133.06512	4.0
133.10139	26.2
135.07974	1.9
135.11717	3.6
141.07045	2.9
143.08571	7.0
145.06451	2.3
145.10133	13.9
147.11682	31.9
149.09625	2.0
149.13261	7.2
151.11237	3.4
155.08551	3.6
157.10068	4.7
159.11707	7.1
161.09622	5.3
161.13254	8.8
167.08615	2.7
171.11684	18.8
173.04446	8.8
173.05826	2.3
177.12726	4.4
183.13774	2.6
187.13272	3.9
189.12804	7.2
195.13875	4.2
199.04247	2.3
207.13829	22.7
225.14928	5.9
243.15889	2.4
281.17493	30.9
285.17126	2.0
301.20123	2.5
339.18088	4.6
413.21552	3.1
445.24039	8.8
449.29007	47.7
463.30585	6.3
475.30569	96.2
476.31070	4.2
507.32904	8.7
552.15436	2.3
619.34662	8.5
651.37524	19.7
669.39844	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	669.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	2.1
53.03944	8.7
55.01880	5.7
55.05517	24.1
56.47117	1.8
57.03452	9.0
57.79963	1.6
59.05024	2.1
65.03944	5.5
66.13295	1.7
67.05511	74.1
69.03431	9.4
69.07081	15.9
70.01036	8.7
71.05003	15.4
77.03944	2.0
79.05500	64.1
81.03429	34.6
81.07064	100.0
83.04999	18.2
83.08612	12.3
85.02880	3.9
85.06544	6.1
91.05486	57.6
93.07052	56.6
95.04979	17.1
95.08611	29.4
95.09164	2.0
97.02886	8.5
97.06532	7.7
97.10158	3.2
99.04470	5.1
99.08122	2.4
105.07047	36.4
107.04961	8.2
107.08600	20.3
109.02888	6.9
109.06504	7.6
109.10183	8.8
111.04430	2.2
111.08092	3.8
117.07028	13.3
119.08588	23.0
121.06525	3.9
121.10155	8.4
123.08095	5.5
123.11720	9.8
125.09593	2.1
127.03917	6.0
128.06245	3.0
129.05522	4.2
129.06993	16.6
131.08580	12.5
133.10144	19.8
135.08020	2.1
135.11720	4.4
137.09656	2.0
142.07883	1.7
143.08585	8.1
145.06494	2.6
145.10143	12.9
147.08086	4.1
147.11696	25.1
149.09602	2.6
149.13251	7.6
151.11197	7.2
157.10146	6.8
159.08028	2.0
159.11734	7.2
161.09663	4.0
161.13306	6.1
163.11220	2.0
165.12801	2.4
167.08571	2.2
169.10124	3.9
171.11690	17.8
173.04529	10.4
173.05850	2.8
173.13229	2.7
175.11119	2.0
177.12790	3.3
179.08722	2.3
183.11644	1.9
187.13254	2.8
189.12772	5.1
195.11659	1.9
195.13837	2.7
207.13799	16.7
209.13469	1.9
211.11221	2.5
217.16089	2.3
225.14919	2.9
235.76398	1.9
243.15962	1.9
249.12653	2.0
269.17484	3.6
275.20117	4.0
281.17484	37.7
281.20349	3.0
295.19131	1.8
330.40756	2.2
339.18054	4.1
445.24280	5.4
449.29056	52.1
463.30502	5.0
475.30594	78.7
475.37463	3.8
476.30923	2.5
507.33337	7.1
619.34576	11.3
651.37622	18.8
669.40088	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.292
Annotation	Agrimol G
Peak:m/z	Relative Intensity
53.03973	0.7
53.36789	0.7
55.05500	2.4
57.07067	2.3
64.46086	0.8
67.05508	4.6
69.03440	1.0
69.07072	1.8
70.75555	1.9
71.05008	0.7
71.08644	1.4
79.05497	2.5
80.15996	0.6
81.03418	1.9
81.07070	4.7
83.04982	2.4
83.08615	0.9
91.05480	2.5
93.07030	3.1
95.04954	0.8
95.08627	3.5
97.10134	0.8
105.07043	1.1
107.08629	1.6
109.10161	1.3
111.04469	0.8
117.07034	0.9
117.72798	0.6
119.08621	1.4
121.10138	1.0
123.11739	0.9
127.03941	0.8
129.05490	1.0
131.08585	0.8
133.10143	1.6
135.11722	0.9
144.08163	0.7
145.10127	0.8
147.11700	0.8
159.11723	0.7
177.12784	0.8
193.82835	0.6
223.12384	1.4
224.13144	0.9
225.13942	2.2
237.13873	1.1
239.15501	0.9
251.11929	0.6
260.13110	0.7
261.13754	0.6
265.13455	1.3
267.14880	1.3
274.14410	0.6
275.15683	1.4
275.32306	0.9
303.14856	0.8
313.27423	2.3
363.16110	0.8
375.15497	0.7
377.17828	0.8
379.19443	1.1
390.18900	0.8
391.19366	1.0
392.20297	0.9
393.20767	1.9
396.51273	0.6
405.16843	1.2
407.22449	2.9
413.21667	1.0
419.18991	1.5
420.19348	1.7
421.20111	5.5
433.20502	2.1
434.17130	1.2
435.21909	7.3
436.22684	5.3
447.17578	1.1
448.18567	1.5
449.23624	7.4
450.24200	2.3
457.16269	0.7
461.19778	2.8
462.20361	1.1
463.20731	14.8
467.37738	0.8
473.23590	1.8
475.21356	2.9
476.22034	4.3
479.25031	1.2
490.23486	1.9
491.20081	1.4
491.25998	1.1
495.23627	7.8
507.24402	3.9
507.40482	2.0
519.23975	0.7
521.25592	2.6
522.26416	3.0
523.27136	27.9
524.27515	1.0
531.24628	1.7
532.24457	1.2
533.25720	1.2
535.23456	2.4
549.25299	3.6
550.25708	6.1
551.26239	1.1
553.24390	0.8
563.22736	0.7
564.27722	1.5
565.27917	1.1
567.25543	1.6
577.24469	3.8
578.25342	1.1
581.27472	1.9
582.28442	34.1
591.26093	3.3
605.24182	3.6
609.27112	21.6
610.28021	1.9
619.25244	0.9
637.26611	20.7
651.28308	4.5
669.29224	100.0
670.29633	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	668.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
53.16437	1.2
55.01871	1.8
55.05513	24.0
57.03446	6.7
57.07084	11.0
63.66438	1.4
65.03948	3.3
67.05507	48.5
69.07072	37.2
71.04984	4.1
71.08633	8.7
71.51604	2.5
73.89238	1.1
75.34898	1.2
79.05070	2.3
79.05498	32.8
81.03378	2.3
81.07059	50.7
83.04971	7.3
83.08159	1.5
83.08620	22.4
83.11295	1.2
85.06523	4.3
85.10167	2.5
91.05485	19.2
93.06485	2.5
93.07042	39.1
95.04950	7.3
95.08613	32.8
97.06544	7.7
97.10165	13.3
98.98410	1.2
99.08112	2.9
103.33679	1.4
105.07035	10.5
107.08586	17.3
109.06500	2.0
109.10152	14.1
111.08070	4.3
111.11747	2.5
111.56887	1.4
113.09676	1.3
115.74017	1.3
117.07021	8.2
119.08594	6.5
121.06498	1.9
121.10137	14.2
123.11742	3.1
125.09621	1.7
129.07007	1.8
131.08597	7.3
133.10103	8.1
135.11688	11.5
143.08545	1.7
145.10138	3.2
145.40253	1.3
147.11667	5.1
149.13240	12.5
151.11174	5.6
157.10100	2.1
159.11693	5.9
161.13286	3.1
162.97395	1.3
163.11235	1.8
163.14835	1.3
168.51982	1.5
177.12732	2.3
179.14252	1.8
195.13802	5.2
227.12738	2.8
247.24246	1.6
251.16454	1.7
259.20605	4.7
265.25281	3.3
269.17468	11.5
277.21689	7.1
313.27267	3.2
339.28949	41.6
342.25058	1.7
342.29532	1.4
351.25333	8.3
369.25992	1.3
507.40152	5.1
533.42029	100.0
534.42242	3.6
571.47156	4.2
590.80481	1.6
615.49628	6.0
657.54431	1.4
659.11377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01886	1.8
55.05508	8.2
55.16743	0.9
57.03442	13.0
59.05000	2.4
61.02926	1.8
65.03934	2.1
67.05508	76.3
68.05859	1.2
69.03431	2.3
69.07073	2.8
71.04992	3.1
73.02907	1.1
79.05499	7.9
80.26936	0.9
81.03423	57.0
81.07055	14.2
83.04991	3.0
83.08618	17.1
85.02911	2.2
85.06551	2.9
91.05486	16.3
93.07058	8.8
95.04977	18.6
95.08605	6.8
97.02943	1.9
97.10186	2.4
98.21010	5.9
105.07027	7.9
107.04967	4.2
107.08614	4.7
109.06492	1.2
109.10162	77.5
111.04446	2.6
111.08100	7.1
115.05470	1.2
117.07021	2.2
119.08588	14.9
121.06515	2.8
121.10149	3.6
123.04392	1.2
123.08135	1.8
125.09633	1.7
129.07036	6.1
131.08586	4.3
133.10126	3.8
137.09644	4.9
145.10104	1.7
147.08060	2.1
147.11646	5.3
149.09608	4.1
155.10675	10.2
157.10158	6.9
165.12715	1.6
173.11740	18.6
175.11194	8.0
193.12260	20.9
193.13898	1.8
196.35858	1.0
205.12187	1.2
211.13333	2.1
229.14362	96.8
229.44505	1.4
230.14629	1.1
231.13657	1.0
249.14796	1.8
267.15930	96.0
268.16293	1.7
329.21161	3.5
347.22180	2.1
403.24905	10.7
411.95358	1.1
421.25882	100.0
422.26245	3.4
463.26862	2.1
471.25797	1.6
505.36420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96712	2.3
53.03944	14.6
55.01887	5.3
55.05513	23.7
57.03437	7.8
57.07078	49.3
59.04986	3.0
59.47430	2.2
65.03950	3.2
65.43369	2.4
67.05509	57.6
69.03435	25.2
69.07073	19.5
71.05005	9.4
71.08629	38.5
71.51487	4.6
79.05502	32.7
81.03422	100.0
81.07059	62.9
83.04999	18.0
83.08632	25.3
85.02908	14.3
85.06588	3.8
85.10181	19.8
89.06107	2.1
91.05488	35.0
93.07045	24.3
95.04967	29.4
95.08609	44.5
97.02895	26.5
97.06548	8.1
97.10185	11.9
99.04475	5.7
99.08115	4.2
105.07038	31.4
107.04956	13.1
107.08611	12.5
109.02892	22.0
109.06560	6.9
109.10168	21.5
111.04467	13.6
111.08123	8.4
117.07022	9.1
119.04973	2.3
119.08589	21.2
121.06503	5.4
121.10155	13.2
123.04433	3.2
123.08063	3.5
123.11711	9.5
125.09637	5.0
127.03951	21.4
128.06265	3.2
129.06992	11.4
131.04973	2.9
131.08557	18.1
133.06531	3.9
133.10147	14.7
135.08015	2.9
135.11707	4.7
140.93719	2.2
141.07036	2.4
143.08563	5.3
145.06453	4.8
145.10175	8.8
147.08072	3.8
147.11670	20.1
149.09630	6.8
157.10101	11.6
159.11717	5.9
161.09592	3.1
163.11261	6.7
165.12814	7.5
171.11749	3.9
173.04546	2.9
175.11156	14.0
184.07347	2.7
189.11276	3.7
191.10765	5.2
193.12230	38.3
211.13306	49.5
227.12740	5.5
229.14458	4.6
235.13338	4.0
239.23723	10.0
255.13847	4.6
259.13403	3.5
267.15942	22.0
273.14880	3.3
275.20175	4.3
298.87451	2.7
301.14410	5.8
313.27426	41.2
319.15372	3.7
337.16522	9.8
341.27078	2.4
355.17590	9.9
361.20471	2.5
383.28152	4.9
393.19336	3.5
411.20114	15.2
505.39044	8.3
523.40186	17.6
547.40472	3.4
667.44196	97.2
668.44507	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	667.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00912	1.3
53.03947	10.1
55.01867	4.9
55.05513	20.1
56.59652	1.2
57.03436	7.6
57.07079	43.2
59.05004	1.3
64.07849	1.2
65.03931	3.0
67.05508	43.0
69.03438	18.4
69.07069	13.9
71.04999	9.8
71.08632	31.2
79.05498	25.2
81.03420	100.0
81.07055	44.5
83.01406	1.5
83.04989	15.7
83.08617	23.2
85.02906	13.1
85.06554	2.0
85.10178	14.9
87.16956	1.3
91.05486	31.2
93.07042	19.0
95.04963	19.0
95.08606	38.1
97.02895	26.0
97.06548	4.5
97.10168	10.3
99.04449	7.2
99.08097	2.9
99.11715	1.5
102.13470	1.4
105.07024	18.3
107.04954	10.0
107.08598	9.1
109.02885	18.3
109.06544	5.4
109.10159	14.5
111.04447	12.9
111.08093	6.7
113.06001	1.6
115.05459	2.5
117.07023	5.4
119.08591	17.0
121.06561	2.4
121.10141	10.1
123.04443	1.7
123.08119	3.2
123.11738	6.2
125.09636	3.0
127.03922	18.8
127.07543	1.9
128.06215	2.1
129.05484	1.6
129.06998	9.2
131.04851	1.9
131.08585	10.1
133.06476	2.8
133.10138	8.9
135.07094	1.4
135.08084	2.3
135.11720	4.1
137.06020	1.5
137.13260	2.8
139.52019	1.3
141.07031	1.7
143.08577	3.6
145.06487	2.4
145.10132	6.2
147.08104	3.7
147.11676	17.4
147.12642	1.6
149.05975	1.4
149.09645	4.7
151.11131	1.4
151.14886	2.0
153.12782	2.0
155.08571	1.6
157.10155	8.9
159.08150	1.3
161.06007	1.9
161.11996	1.4
163.11244	5.2
165.12737	8.2
171.08121	1.5
171.11815	3.3
173.09560	1.6
175.11182	12.1
181.10239	1.5
181.12178	3.0
184.07440	4.0
191.10732	2.9
193.12250	33.6
211.13292	47.5
211.15282	3.0
227.12796	4.6
229.14282	2.5
235.13329	2.6
239.23692	8.4
241.12337	1.5
247.13281	1.7
249.14882	3.3
255.13899	3.1
257.24817	2.0
259.13541	1.9
267.15958	17.3
273.14941	3.0
285.17130	2.9
301.14386	2.6
313.27365	34.1
319.15591	1.9
323.32526	1.7
337.16522	8.2
341.27087	1.8
355.17667	8.3
383.27930	4.1
395.94290	1.4
411.20132	12.9
505.38824	5.6
523.39941	11.8
534.08191	1.5
585.41425	1.8
631.41754	1.5
649.43799	2.8
667.44171	80.1
668.44507	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	667.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
68.05028	0.7
69.07069	1.7
70.06602	0.8
71.50887	1.0
71.51285	0.7
84.08107	0.7
92.07420	0.6
94.06591	1.9
95.04958	0.9
100.92963	0.7
106.06563	2.3
108.08096	1.2
109.10143	0.8
118.23708	0.6
122.06033	7.1
126.56176	0.7
136.07587	11.8
138.05530	1.3
140.07060	12.4
144.04471	1.2
146.06004	3.5
146.09608	1.4
148.07549	5.3
152.07083	1.7
154.05023	0.8
162.05562	0.7
164.07079	26.0
164.08415	1.5
166.08636	19.4
166.09961	1.3
172.03951	3.0
172.07634	0.6
174.05466	3.7
176.07053	6.2
190.05020	2.4
204.06606	4.3
206.08105	1.6
209.10893	0.7
210.11517	1.7
211.12289	1.3
218.08069	1.1
221.10651	1.3
222.11420	1.3
223.12254	2.4
224.13046	1.5
225.13657	1.0
227.11838	1.8
235.08620	2.2
235.12291	2.6
237.10210	6.2
237.13889	3.4
238.11002	5.2
239.11809	7.5
243.11342	0.9
247.12428	1.0
248.09457	3.1
249.10231	6.9
250.10974	5.5
251.11803	14.5
252.12610	1.4
253.13272	3.6
261.12372	1.9
262.11145	1.6
263.11807	21.4
264.08890	1.2
264.12531	3.9
265.09778	6.8
265.13373	36.1
266.13962	1.7
267.11349	2.3
267.14664	0.8
268.12079	1.3
269.12817	2.1
271.14487	2.0
277.09756	7.7
278.10403	3.0
279.11279	48.2
280.11938	2.5
281.12915	2.3
282.13522	1.1
283.10968	1.0
283.14520	2.0
284.11151	0.8
285.12393	1.6
287.13855	6.0
291.11243	9.4
292.12012	1.8
293.12897	8.1
294.13647	1.4
295.10849	6.1
295.14011	1.4
296.11548	2.0
297.12338	19.8
298.13095	2.5
305.14978	1.9
309.12354	54.6
310.13110	22.7
311.13898	29.0
312.14624	5.8
313.11832	5.6
313.15509	3.3
319.10794	8.5
321.12320	3.1
322.82312	0.7
323.10373	1.1
323.15997	1.5
324.10980	0.9
325.11749	1.5
331.12991	1.5
337.11823	100.0
338.12619	28.5
338.15866	0.5
339.13397	24.1
353.42084	0.8
357.14694	0.8
358.15421	1.0
369.14468	23.2
370.15353	4.3
371.15887	5.5
385.13409	0.7
386.14621	1.0
398.15250	1.2
399.15778	1.1
400.16531	1.7
401.13489	3.9
414.18051	1.0
416.15967	1.2
417.17032	1.3
434.16821	1.3
440.16086	0.9
450.20212	2.0
452.21848	53.5
453.22003	1.5
458.17493	3.8
459.17612	0.9
476.18295	4.5
477.80310	0.8
478.19748	46.0
479.19824	1.6
480.21832	1.6
494.19241	5.1
495.19971	1.0
496.20743	6.4
510.22394	34.9
575.24927	1.4
591.27808	1.7
599.24866	4.8
617.26068	11.2
635.27179	33.5
635.37787	1.6
636.27441	1.5
667.29303	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	667.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.2
55.61898	2.0
57.03426	3.1
57.07081	5.5
67.05511	12.0
69.03435	3.4
69.07075	5.8
71.08643	4.3
79.05128	1.9
79.05490	10.9
81.03445	7.5
81.07055	14.3
83.04980	2.7
83.08626	5.7
85.02926	4.5
85.10246	2.4
87.46332	2.0
91.05496	7.7
93.07051	8.6
94.95990	2.0
95.04995	9.1
95.08610	10.3
97.02892	2.8
97.10188	6.8
100.59962	1.9
105.07046	6.9
107.04977	3.6
107.08617	5.5
109.10188	3.7
117.07043	2.7
119.08606	4.0
121.10143	4.6
123.04474	3.6
125.09666	7.7
127.03938	3.0
127.16933	2.0
131.08627	3.7
133.10188	2.4
135.11737	2.0
145.10187	2.9
147.11702	2.9
189.11240	2.3
193.12109	2.8
227.12828	4.6
235.13446	6.0
249.10272	2.3
313.14642	2.1
313.27536	9.0
354.16098	2.7
358.95856	2.2
377.17673	2.6
385.14560	2.2
388.17178	3.2
389.17892	6.1
390.18567	4.2
391.19318	9.0
403.19321	3.2
405.20892	9.8
406.21741	3.9
410.18942	2.8
419.22458	5.3
428.16205	2.5
431.19180	2.4
432.63147	2.2
433.20566	7.3
435.18051	3.0
447.22055	2.6
449.19925	5.8
450.20740	2.4
461.20068	6.6
463.21570	6.8
465.22971	12.0
473.20169	2.8
479.20770	4.4
487.21738	3.5
489.20175	2.5
493.22260	39.1
501.19464	6.5
505.18027	3.0
507.24722	2.9
515.20996	7.3
516.21826	4.3
517.22516	2.6
521.25677	12.4
533.22229	5.8
537.25653	3.8
547.23932	5.3
548.24408	2.7
551.26831	11.1
565.24463	23.6
575.22949	11.5
576.23877	2.8
579.26099	20.6
580.26843	100.0
607.25531	54.0
635.25006	30.4
639.28455	7.9
649.26740	12.1
667.27783	75.6
667.45142	20.3
668.28131	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	665.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49813	1.5
51.02386	2.8
53.03950	10.7
55.01877	13.4
55.05515	31.1
57.03448	11.1
57.07079	2.3
58.73667	1.6
59.05002	2.7
61.02921	1.8
63.55044	1.8
65.03942	3.7
67.05510	100.0
69.03435	24.7
69.07068	19.0
71.05000	8.2
71.51733	1.7
73.02927	2.0
79.05502	42.0
81.03425	53.4
81.07063	51.7
83.04990	16.9
83.08620	16.0
85.02908	11.3
85.06548	3.5
91.05484	40.4
93.07051	36.2
93.58707	1.8
95.04985	15.9
95.08613	26.7
95.56698	1.6
97.02888	12.8
97.06538	12.6
97.10176	8.8
99.04459	7.2
105.04526	2.0
105.06399	2.7
105.07045	34.3
107.04968	11.5
107.08599	25.8
109.02898	9.7
109.06522	7.9
109.10165	65.2
111.04436	13.4
111.08076	6.9
115.05469	1.7
117.07028	14.9
119.08594	27.2
121.06516	6.5
121.10139	13.6
123.04430	2.3
123.08096	6.2
123.11703	4.2
125.09637	9.7
127.03917	12.5
129.05489	5.9
129.06995	6.7
131.08586	19.8
133.06500	3.2
133.10127	19.8
135.08086	8.3
135.11739	8.2
137.06018	1.8
137.09628	10.2
142.07788	2.6
143.08562	7.9
145.06503	2.6
145.10126	14.6
147.08037	5.1
147.11661	12.0
149.09637	13.4
149.13199	4.3
151.11211	3.0
153.09039	1.9
155.08548	5.0
155.10658	5.6
157.10175	6.3
159.11673	10.0
161.09618	4.6
161.13226	3.9
163.11229	8.8
165.07124	1.8
165.12770	2.2
169.10167	5.7
171.10301	2.1
171.11676	5.8
173.04428	3.9
173.11754	15.7
173.13277	5.5
175.11218	5.1
177.12770	3.6
181.10141	2.1
183.11723	2.1
185.09773	2.6
185.13298	3.8
187.11195	4.7
189.11195	8.0
189.12740	2.4
197.13298	2.8
205.12270	2.5
227.12839	7.2
229.12328	3.2
229.14340	22.3
229.19548	4.2
239.17979	3.9
247.20714	2.9
257.19034	12.8
273.18582	2.3
275.20087	52.4
279.15878	2.0
293.21008	9.5
299.14941	5.2
337.16748	2.2
349.23788	18.9
355.17728	4.5
373.18713	14.1
373.23050	3.1
383.22202	2.5
401.23242	2.8
503.33856	23.3
521.34601	4.6
629.37000	2.2
647.37793	16.8
665.39001	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	8.8
54.08547	1.8
55.01875	12.8
55.05516	29.5
57.03440	9.0
57.07059	2.4
59.05005	4.5
65.03944	4.5
67.05509	100.0
69.03433	25.6
69.07071	20.2
71.04991	7.3
71.52230	2.1
73.02889	2.1
79.05499	36.1
81.03423	47.0
81.07062	52.2
82.58715	1.8
83.04979	17.7
83.08617	13.3
85.02922	8.7
85.06539	4.8
87.84956	1.8
91.05485	41.3
91.06027	3.3
93.06480	2.9
93.07051	35.8
95.04967	10.8
95.08616	32.3
97.02917	13.7
97.06548	14.2
97.10159	12.4
99.04475	5.1
99.08050	1.7
103.05394	2.9
105.07032	31.0
107.04955	12.2
107.08607	24.6
107.42302	1.5
109.02892	10.8
109.06521	9.2
109.10161	51.3
111.04436	7.0
111.08087	4.6
115.05410	1.8
117.07034	17.6
119.08594	30.7
121.06534	3.9
121.10168	13.2
123.08102	5.4
123.11732	5.0
125.09633	11.6
127.03908	13.4
128.06206	2.5
129.05498	5.3
129.07031	8.3
131.04900	1.9
131.08572	20.1
133.06468	3.8
133.10144	18.1
135.08052	6.7
135.11702	6.4
137.09631	5.3
141.06956	2.3
143.08566	6.4
145.06458	3.6
145.10141	12.7
147.08073	3.6
147.11707	13.0
149.09624	14.7
149.13229	4.0
151.07558	2.3
151.11226	2.4
153.09032	1.9
155.08572	4.4
155.10684	6.1
157.10156	6.3
159.08052	2.4
159.11710	12.5
161.09666	3.3
161.13297	4.4
163.11217	8.6
165.05302	1.7
165.09093	2.5
165.12723	3.3
169.10234	2.0
171.10226	1.8
171.11607	3.8
173.04478	6.0
173.11739	9.9
173.13298	6.6
175.11188	2.0
175.14813	2.3
176.05666	1.5
177.12732	2.1
178.70708	1.8
183.11742	2.8
185.13280	2.9
187.11140	2.4
187.14868	3.3
189.11218	7.5
189.12846	2.0
195.11760	2.3
197.13268	3.8
205.12161	2.1
209.13300	2.1
227.12814	7.5
229.14374	24.2
229.19435	3.2
233.15431	2.1
239.18013	5.0
245.13701	2.2
247.20616	3.7
257.18994	11.1
269.18640	1.6
273.18600	3.1
275.20074	46.4
281.14047	2.2
287.20120	1.8
293.21127	4.7
299.14957	4.7
299.20187	3.7
313.21487	2.2
331.22479	2.1
341.20972	2.3
349.23770	15.8
355.17560	3.2
373.18533	11.2
485.32443	3.8
503.33728	28.0
521.34235	2.3
567.31091	2.8
629.36719	3.0
647.37946	14.8
665.39160	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01864	2.0
55.05515	6.4
57.03434	2.5
57.07077	0.8
58.48938	0.6
59.04999	0.9
59.83408	0.5
61.02935	3.3
64.42754	0.6
65.03934	1.1
67.05508	24.1
69.03439	5.9
69.06767	0.7
69.07075	6.5
71.01350	1.1
71.04996	1.8
71.51255	0.7
72.26273	0.6
73.02923	2.0
79.05502	11.0
81.03425	11.8
81.07063	17.8
83.04993	4.1
83.08636	4.1
85.02905	5.1
85.06563	1.0
91.03951	2.3
91.05482	9.5
93.06485	1.0
93.07053	12.8
95.04965	3.7
95.08617	7.7
97.02896	5.5
97.06539	3.8
97.10171	3.1
99.04457	1.9
101.02385	1.4
105.07037	9.7
107.04977	2.9
107.08613	6.1
109.02885	3.1
109.06526	2.5
109.10169	12.6
111.04472	1.6
111.08072	1.4
117.07038	2.8
119.08591	6.7
121.06525	1.6
121.10149	5.1
123.08097	1.6
123.11736	1.2
125.09653	2.2
127.03949	3.1
129.05489	0.8
129.07013	1.5
131.08591	5.1
133.06424	0.9
133.10153	5.5
135.08070	1.9
135.11736	1.8
137.09625	1.4
143.08620	1.3
145.10155	3.6
147.11726	2.7
149.09615	3.2
149.13271	4.8
151.11185	1.1
155.08542	1.2
155.10707	0.7
157.10184	1.7
159.11720	3.3
161.09636	0.7
161.13249	1.1
163.11197	1.8
169.10199	0.9
171.11703	1.2
173.04468	1.3
173.11758	3.1
173.13275	2.0
177.12801	0.9
183.11906	0.6
185.04292	0.8
189.11241	1.5
194.60625	0.6
195.13940	0.7
227.12775	1.9
229.14333	4.1
229.19641	0.6
235.13159	1.9
243.08511	1.8
245.13800	0.6
247.20583	1.0
257.18988	1.9
259.20554	0.8
275.20096	10.9
291.15686	0.9
293.21082	2.0
299.15015	1.4
345.67770	0.6
349.23721	4.2
355.17599	2.1
373.18716	2.5
453.20966	12.9
493.27377	0.7
503.33698	5.9
521.34912	0.8
629.36664	0.9
647.37909	4.1
665.35071	100.0
666.35242	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	665.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01875	0.8
55.05503	1.4
57.03438	1.5
58.41545	0.4
61.02932	3.6
67.05509	6.2
69.03432	2.7
69.07076	1.2
69.23364	0.8
69.23769	3.6
71.04990	0.9
73.02921	3.3
79.05499	4.0
79.73209	0.4
81.03423	2.7
81.07067	5.7
83.04976	1.4
83.08623	1.8
85.02903	3.5
85.06541	0.5
91.03949	1.9
91.05497	3.8
93.07043	5.4
95.04965	1.0
95.08638	2.5
97.02896	4.3
97.06552	1.3
97.10215	0.6
99.04471	0.6
101.02388	1.3
103.03981	0.4
105.07047	1.5
107.08608	2.5
109.02856	1.0
109.10168	1.7
110.45235	0.4
111.04437	0.6
111.08133	0.9
117.07037	1.5
119.08599	0.9
121.06551	0.6
121.10163	1.8
123.08051	0.6
126.68538	0.4
127.03932	1.4
130.75900	0.4
131.08583	1.6
133.10164	1.9
135.08131	0.6
135.11681	0.9
135.20360	0.4
143.08565	0.5
145.10220	0.6
147.11685	0.8
149.13271	1.8
159.11737	1.8
182.39207	0.4
189.12784	0.5
195.13773	1.0
207.13721	0.5
229.14413	0.7
235.13116	1.5
243.08487	2.4
269.17581	1.6
275.20142	0.7
291.15887	0.9
453.20990	15.7
503.29004	0.6
647.37085	0.6
665.35126	100.0
666.35413	5.1
670.97882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01872	0.6
55.05524	2.4
57.03429	1.9
58.55835	0.4
61.02930	3.7
65.03938	0.9
67.05512	9.6
69.03447	3.7
69.07061	2.1
71.05001	1.1
73.02935	2.7
74.95094	0.6
75.84991	0.5
79.05508	4.8
81.03430	3.7
81.07068	6.9
83.04984	1.2
83.08632	2.3
85.02919	3.8
91.03981	2.4
91.05491	3.9
93.07069	4.7
95.04974	2.0
95.08636	3.3
97.02897	3.6
97.06547	1.3
97.10154	0.9
98.21519	1.2
99.04461	0.7
101.02406	1.3
103.03962	0.6
105.07069	2.5
107.04945	0.8
107.08624	2.8
109.02923	0.9
109.06538	1.4
109.10153	3.4
110.27868	0.6
111.08079	1.1
117.07062	1.2
119.08596	2.1
120.55530	0.4
121.06543	0.7
121.10159	2.6
123.04479	0.4
123.08118	0.7
125.09631	0.9
127.03938	1.7
131.08607	1.8
133.10159	2.9
135.08035	0.6
135.11655	1.0
137.09637	1.0
141.07056	0.7
145.10204	1.0
147.08150	0.5
147.11728	0.8
149.02419	0.8
149.09612	0.8
149.13255	2.3
159.11748	1.8
163.11198	0.8
171.11716	0.7
173.04520	0.6
173.11729	0.6
177.12825	0.8
183.11671	0.5
193.04953	1.0
195.13823	1.2
227.12738	0.8
229.14343	0.7
235.13121	2.1
243.08315	2.4
269.17599	1.4
275.20007	2.3
290.26965	0.6
291.19409	0.5
373.18600	0.6
453.21002	16.2
503.33978	0.7
647.37756	0.6
665.35126	100.0
666.35468	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	665.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.3
68.67170	0.6
69.03423	0.6
69.07085	3.6
70.06571	0.6
70.10492	3.0
71.04999	1.1
71.90516	0.6
79.05505	0.9
83.04987	0.6
85.02907	1.4
91.05489	0.9
94.06564	7.6
95.04967	1.6
108.08131	1.9
109.06465	0.8
110.06066	0.7
111.01712	0.6
114.09183	0.7
118.06545	0.9
119.04937	0.6
122.06035	21.4
122.06915	1.3
123.04398	2.9
134.06021	1.5
136.07582	0.8
137.05956	0.7
139.03883	1.0
140.07068	32.2
144.04459	1.5
146.06009	12.4
146.07097	1.0
147.04356	0.6
148.07596	3.4
152.07080	0.6
153.01877	0.8
154.04941	0.8
160.07553	1.5
162.05511	1.4
162.09401	0.7
163.06346	0.7
165.01903	1.0
167.07060	1.7
172.03937	13.8
173.04698	3.1
174.05515	23.4
176.07037	8.7
188.07054	1.0
190.04939	3.9
191.05705	1.5
192.06587	2.0
197.10887	0.6
198.07701	0.9
198.09244	1.7
199.08546	1.0
201.10272	0.9
202.08292	0.8
204.06563	22.1
206.08130	8.8
207.13890	0.6
211.08742	2.4
212.09412	0.7
213.10246	3.2
214.10944	1.2
215.11832	2.6
224.09456	1.2
225.10306	3.7
226.10994	1.0
227.11815	0.9
229.09726	0.7
231.11382	0.7
235.08629	1.0
236.09331	0.8
237.10356	1.9
239.08006	0.9
239.11890	1.9
241.09811	2.8
243.11270	13.5
246.11269	0.7
249.10365	3.1
250.11128	1.0
251.11774	1.9
252.12531	0.8
255.11333	1.8
256.12164	1.4
257.12900	1.5
261.12387	1.1
263.08270	2.2
263.11749	0.7
264.08969	2.0
265.09836	3.8
265.12399	0.6
266.10645	1.2
267.11307	2.2
269.09262	1.5
269.12848	0.7
270.09998	0.9
271.06055	16.3
271.10782	1.7
273.12485	0.9
277.09775	2.2
278.10416	0.8
279.11340	2.3
281.09433	1.2
281.12607	0.8
283.10803	5.5
284.11557	1.3
285.12332	21.2
287.10361	2.8
287.13995	2.8
288.11261	0.7
297.12509	1.7
298.13416	0.9
299.10431	3.4
299.13950	1.3
300.11386	0.8
301.12079	2.3
302.12891	1.0
303.13391	29.9
304.14340	1.6
305.09369	0.8
309.12320	1.4
312.15079	0.7
313.11807	40.2
314.12558	1.3
314.16364	0.9
315.13831	1.5
316.10843	1.7
316.14468	1.5
317.15463	1.0
318.16013	2.7
319.16904	2.1
321.14581	2.0
323.10196	2.9
326.12970	0.9
327.13800	0.9
328.14493	1.8
329.11676	2.4
330.12518	2.4
330.16034	1.6
331.12955	8.8
331.16620	0.6
332.14011	1.6
339.13770	0.9
340.14575	0.9
342.12488	1.5
343.13428	2.0
344.13879	3.3
344.17706	0.8
345.14493	18.8
346.15485	3.4
346.31989	0.7
347.16324	2.7
354.12335	1.8
355.13251	1.3
356.13940	2.1
357.14899	1.1
358.11954	1.7
358.15820	3.1
359.16852	1.1
360.17120	3.7
363.15695	1.4
368.13901	2.2
369.14651	2.0
370.11774	1.5
370.15787	1.9
371.12778	2.5
372.13373	5.8
372.17578	1.0
373.14163	3.8
374.14966	4.9
374.19025	1.1
376.16489	1.2
378.18097	1.1
381.10867	1.4
382.15549	1.2
384.13306	1.3
384.17490	1.0
385.14069	2.9
386.14963	11.3
387.16016	6.5
388.16608	5.8
390.18448	0.9
396.13538	2.5
398.14996	2.4
399.16223	0.7
400.12192	0.9
400.16721	1.9
401.13474	1.7
401.17972	0.9
402.14236	1.6
402.18747	1.4
404.16080	3.3
405.17001	2.3
406.17731	5.2
410.15314	0.8
412.16336	1.3
413.13470	0.9
414.14465	11.9
415.15265	13.6
416.16077	20.2
417.16470	1.1
418.17755	2.2
427.15289	0.9
428.16205	4.4
429.16714	2.0
430.17719	5.7
431.18307	1.9
432.15659	2.7
433.16190	5.1
434.17105	5.3
438.14575	1.4
446.17130	7.7
447.18079	2.3
456.15536	10.1
457.16068	3.6
458.17453	1.6
460.15189	1.4
464.18570	1.1
474.16580	31.7
475.17358	11.8
476.18347	7.2
506.19196	4.8
507.19992	1.5
524.20032	1.1
561.89386	1.0
571.25427	1.4
573.23328	2.7
597.23438	13.1
615.24475	100.0
616.25037	3.4
629.25763	1.0
633.25739	1.6
647.27173	4.4
665.30072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	2.7
70.06593	1.9
71.06329	3.1
72.33900	1.5
73.90038	1.4
79.76911	1.7
94.06580	2.8
107.87215	1.4
122.06035	5.2
123.04438	4.7
136.07584	1.9
140.07069	8.2
146.06021	4.6
164.07083	1.8
172.03946	4.1
174.05472	4.0
174.34203	1.4
176.07124	3.2
204.06516	8.7
206.08223	3.6
211.08740	1.9
222.11615	2.2
224.13220	1.6
233.08035	1.5
235.12265	1.8
237.10243	2.9
237.13983	1.7
243.11325	4.7
247.08665	2.6
248.09419	7.6
249.10229	20.9
250.10956	3.8
251.11807	7.0
255.11266	1.5
261.10263	4.2
262.11081	5.8
263.11832	100.0
264.12482	9.1
265.09692	2.9
265.13367	8.7
267.11319	1.8
277.09741	22.9
278.10544	2.2
279.11285	29.9
280.12137	2.7
281.12875	2.0
285.12308	3.3
289.09650	1.9
290.10629	8.3
291.11313	40.5
292.12082	9.3
295.10800	20.6
303.07584	4.5
303.13388	7.8
307.10687	3.6
308.11465	3.3
309.12341	43.3
310.13025	3.5
311.13931	5.0
313.11841	6.3
318.09885	8.0
323.13962	65.4
324.14590	3.3
331.12836	2.3
335.10327	2.2
336.11066	52.2
336.15085	3.3
337.11761	21.1
338.12524	5.0
341.14807	2.2
344.14166	1.9
345.14514	8.3
354.12161	3.6
355.12738	7.5
356.13840	2.2
367.12866	33.0
368.13708	50.7
369.14447	57.7
370.11060	2.3
370.15247	15.7
375.13058	1.7
385.13470	1.9
386.14511	3.2
398.14716	2.0
404.16299	2.1
414.14447	5.4
415.15417	3.5
416.15894	4.7
428.16028	1.9
430.17444	2.5
433.16013	1.7
446.17032	2.3
456.15707	2.6
457.96429	1.6
474.16501	6.0
475.17166	4.1
476.18213	5.2
478.19681	19.1
489.19229	3.0
493.18411	7.3
494.19156	6.1
506.19080	2.5
508.20828	98.9
509.21094	4.0
510.22385	46.5
526.21906	10.0
597.23096	2.1
615.24365	23.9
629.25647	2.1
633.25397	5.2
647.26910	4.6
651.77460	1.5
665.27393	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01885	5.7
55.05269	3.5
55.05513	46.1
57.03427	8.6
57.07086	16.7
65.03934	3.4
67.05508	75.5
69.03427	5.7
69.07072	33.4
70.80833	7.8
71.04979	2.7
71.08626	9.3
78.46136	2.7
79.05506	46.9
80.05035	4.0
81.07061	66.1
83.04975	4.6
83.08634	32.0
85.06539	2.9
85.10175	2.6
87.04446	3.3
91.05476	34.3
93.07056	36.2
95.04975	4.1
95.08052	4.7
95.08615	51.8
97.06530	3.8
97.10179	54.0
97.86636	3.0
99.08089	3.6
105.07030	27.7
107.04944	3.6
107.08601	46.5
109.10162	27.8
111.08071	5.6
117.07012	9.1
119.08610	15.3
120.91807	3.2
121.10151	12.8
123.11687	6.8
125.09642	42.9
129.07004	2.8
130.15866	2.9
131.08591	7.7
133.10124	19.3
135.08067	6.9
135.11726	10.4
143.10611	3.5
145.10150	17.3
147.11688	8.3
149.09654	6.6
159.11676	7.4
161.13338	5.0
163.11218	5.7
163.14807	3.3
171.10181	2.8
171.22104	2.7
173.13196	3.2
184.07343	4.9
187.14848	3.2
189.11172	19.7
227.12805	100.0
257.18958	13.6
263.23746	4.8
274.21628	5.7
275.20111	30.6
313.27432	4.5
327.07846	4.1
335.25891	5.4
337.27393	34.0
349.23608	20.5
383.13892	3.3
384.14554	3.9
425.31345	2.5
468.59045	2.4
492.86908	2.7
496.26822	2.7
496.97131	2.7
507.36862	24.5
508.37195	3.3
521.38452	7.3
552.33148	7.0
553.41150	2.7
602.04907	2.7
604.49243	5.4
608.38617	3.6
611.46906	26.4
629.47809	4.3
646.50427	17.2
664.51563	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	664.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01880	4.2
55.05272	1.9
55.05516	30.4
57.03442	11.3
57.07095	8.4
65.03941	3.4
67.05509	92.6
69.03430	3.8
69.07071	38.1
69.14136	1.6
69.50875	4.2
69.51298	8.3
71.04990	4.8
71.08619	3.5
79.05500	49.6
79.05958	2.6
80.05013	1.7
81.03400	4.1
81.07063	100.0
83.04967	7.2
83.08630	19.4
85.06535	5.8
87.04454	1.5
91.05484	42.1
93.07053	49.2
95.04990	9.3
95.08617	58.8
97.06531	9.4
97.10178	7.2
99.08080	3.4
100.29435	1.6
105.04533	1.6
105.07035	30.7
107.04937	3.5
107.08604	32.0
109.06506	3.9
109.10167	22.7
111.08038	4.0
117.07051	12.7
119.08595	25.4
121.06480	4.6
121.10160	20.3
123.08062	2.7
123.11745	9.0
125.09609	2.2
128.06265	2.0
129.06985	4.2
131.08572	17.6
133.10144	19.7
135.08047	2.1
135.11743	13.8
137.09613	3.1
137.13268	3.9
143.08545	3.5
145.10135	14.6
147.11707	12.0
149.09604	5.8
149.13280	10.7
153.12730	2.1
157.10062	5.3
159.11690	12.8
161.13280	5.5
163.11186	6.7
163.14835	1.8
171.11690	3.7
173.13281	3.6
175.14839	4.0
177.12709	4.3
185.13354	2.1
195.13792	5.4
197.13290	2.2
199.14775	2.6
226.39940	1.7
229.14310	2.5
229.19617	2.9
245.22600	3.1
255.15979	10.1
257.18939	8.2
263.23737	5.5
267.15942	2.5
269.17444	15.0
274.21667	2.2
275.20065	23.4
289.21823	1.9
293.21323	2.6
309.20422	1.8
313.27438	3.2
327.07913	3.7
331.22623	2.9
337.27386	67.4
349.23779	13.9
350.23779	1.9
367.24783	2.5
517.38806	20.9
531.40497	86.2
532.40955	2.3
552.33130	3.8
552.43518	2.6
604.49237	3.4
608.39093	1.9
611.46747	9.9
629.47430	5.0
645.57074	1.8
646.50104	6.6
664.52448	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.4
55.01873	5.8
55.05515	47.8
57.03437	14.5
57.07084	15.3
65.03936	5.5
67.05508	100.0
69.03432	5.2
69.07076	53.1
71.04988	3.9
71.08632	10.7
79.05495	69.0
80.05015	4.7
81.03445	4.2
81.07063	96.5
81.55080	2.5
83.05000	11.0
83.08625	30.4
85.06552	4.9
89.73736	2.7
91.05488	40.9
93.07053	53.3
95.04980	9.3
95.08612	65.4
97.06550	12.4
97.10169	36.1
99.08102	5.2
105.07028	41.9
107.04942	5.2
107.08598	50.9
109.06499	4.7
109.10154	29.7
111.08064	4.1
117.07022	13.2
119.08591	26.3
121.10143	15.0
122.12857	2.3
123.08093	2.6
123.11725	11.8
125.09638	26.9
129.07013	4.5
131.08554	13.3
133.10146	25.0
135.08061	5.5
135.11716	16.4
137.09644	4.8
137.13319	2.6
143.08597	5.6
145.10136	16.1
147.11702	14.2
149.09627	9.8
149.13277	6.9
157.10086	5.4
159.11694	12.6
161.13304	7.4
163.11166	6.6
163.14827	2.5
165.09215	2.3
169.10104	4.7
171.10236	5.4
171.11656	3.7
173.13316	4.7
175.14888	4.3
177.12823	3.0
177.47385	2.4
179.14279	4.2
180.17128	2.6
185.13290	3.0
189.11250	19.3
189.12778	3.2
195.13823	3.6
199.14854	2.7
227.12794	78.8
229.14520	3.6
229.19398	3.7
233.15334	2.9
235.16754	2.8
239.17929	5.7
245.22751	3.9
257.19089	13.7
263.23703	5.9
269.17535	4.1
274.21674	5.9
275.20065	41.7
293.21198	4.2
316.22751	3.6
327.07803	6.7
328.08191	3.4
335.25995	4.6
337.27393	80.0
349.23770	35.1
351.25314	3.3
384.14508	3.1
390.26367	3.2
422.16132	2.3
430.48303	2.5
433.33508	3.7
464.40594	3.1
496.26633	5.0
507.36829	22.4
515.40973	4.7
517.38745	5.3
529.38965	4.9
531.40948	3.8
548.43127	8.3
552.33057	4.5
552.43140	5.1
604.49664	3.9
608.39307	5.1
611.46625	46.9
628.49628	3.7
629.47382	7.0
646.50153	9.1
664.34436	10.6
664.52490	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	663.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98544	0.6
55.05481	0.9
57.07079	47.2
57.07341	2.3
58.25846	0.6
67.05460	1.7
70.94841	0.6
79.05450	0.8
81.07018	1.7
86.23560	0.6
87.04453	1.3
87.76963	0.6
91.05482	6.3
95.04961	0.9
95.08578	0.6
101.09906	0.6
105.07013	2.7
107.08538	0.7
109.10168	0.8
117.06960	0.9
119.08562	1.2
131.08517	0.7
132.09340	0.7
147.11682	6.6
152.06184	1.0
153.06973	3.9
171.08070	0.6
215.02600	0.6
228.09341	1.0
229.10081	1.1
231.92728	0.6
233.03566	6.2
251.04684	16.4
259.04745	0.7
260.73367	0.6
307.10840	2.2
327.07819	100.0
328.08243	2.1
332.56241	0.6
337.27618	0.8
363.17084	0.7
383.14084	76.5
384.14349	2.2
439.20367	60.9
440.20831	1.2
495.26611	72.4
496.26974	2.5
520.40936	1.4
551.32886	90.7
552.33362	2.7
552.74890	0.7
607.39099	52.0
608.39355	2.6
663.35065	0.8
663.45325	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	664.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67935	0.9
55.05507	8.9
57.03436	13.6
57.06795	1.8
57.07076	31.2
59.04986	3.3
61.02925	6.0
65.03928	1.6
67.05504	82.8
69.03398	1.0
69.07067	6.1
69.82238	4.2
71.04977	2.8
71.08238	1.1
71.08630	19.2
73.02895	1.1
78.72559	0.8
79.05484	1.0
81.07055	19.0
83.08614	11.2
85.02914	4.1
85.06526	2.8
85.10189	9.3
87.00912	0.7
89.06022	0.8
91.03954	1.4
91.04993	0.8
91.05479	5.3
93.07041	2.5
95.08609	19.7
97.02892	2.8
97.10164	3.3
103.07590	1.3
107.08529	1.5
109.10156	80.3
111.08076	3.1
111.11746	0.9
119.08579	5.2
123.11705	2.7
125.09571	1.0
127.03996	0.9
137.09618	2.6
155.10649	11.5
173.11755	14.5
229.14345	100.0
230.14928	0.8
239.23862	1.2
257.24792	2.6
313.27362	83.5
314.27612	2.6
396.03131	0.9
409.65366	0.8
410.20663	0.8
467.37341	60.5
468.37674	1.8
470.81949	0.9
653.11462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62920	5.8
55.05501	22.7
56.98703	6.4
57.03426	14.9
57.07077	18.0
66.37780	6.9
67.05521	57.5
69.07054	21.7
71.08612	17.9
71.51604	10.6
71.60238	8.1
79.05499	49.3
81.07072	60.3
82.54027	6.6
83.05001	7.0
83.08626	15.1
87.04475	100.0
91.05492	46.4
92.05795	9.1
93.07049	62.0
95.05003	11.8
95.08626	45.3
98.98439	9.1
99.08085	12.6
105.07061	42.4
105.92558	6.7
107.04979	8.1
107.08590	33.4
109.10171	26.4
116.64457	6.9
117.07062	13.6
119.08572	34.5
121.06489	17.3
121.10108	18.7
125.09589	7.0
131.08542	13.0
133.10103	27.0
135.08040	7.8
135.11713	17.7
137.09709	9.4
143.08568	9.7
145.10065	13.2
147.11703	19.2
150.45825	7.8
157.10178	7.9
159.11688	12.4
161.13231	15.8
169.94733	6.2
177.12759	7.2
179.14307	38.1
188.46027	7.8
257.18951	7.6
259.20575	15.4
277.21600	33.1
278.22058	7.7
293.21176	10.8
294.21487	14.4
333.24179	23.7
351.25439	13.6
609.44745	28.0
644.46228	16.7
662.44696	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	663.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47356	0.4
55.05508	0.7
57.03414	0.5
67.05504	0.9
69.07075	0.4
79.05507	0.7
81.03454	0.8
81.07071	1.0
83.05025	0.5
83.08606	0.5
85.02935	0.5
91.05494	0.7
93.07036	0.7
97.10231	0.4
98.20779	1.1
105.07006	0.4
107.08646	0.7
118.28089	0.4
119.08646	0.5
127.03881	0.3
145.10201	0.4
184.07428	0.5
195.51741	0.4
200.40677	0.4
243.08521	0.8
246.18951	0.4
259.07928	0.5
329.17963	0.4
363.39130	0.4
413.18149	0.5
431.15805	1.1
433.17706	0.5
445.25723	2.5
446.18362	1.1
448.27713	0.5
459.15659	1.4
472.16837	0.4
473.17368	1.1
474.17380	2.7
501.27948	2.1
517.19165	0.6
533.22748	1.2
560.22443	0.7
561.22034	8.1
620.24036	0.8
621.24170	13.8
631.22815	0.9
635.35022	0.4
645.32971	0.5
663.33740	100.0
664.33850	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.1
55.01870	7.8
55.05516	78.7
57.03441	13.3
57.07071	10.2
59.05008	3.0
65.03944	4.6
67.05512	100.0
69.03425	7.1
69.07073	34.6
69.33341	2.5
71.05003	3.0
71.50596	4.7
75.25347	2.4
79.05499	96.6
81.03448	2.6
81.06594	5.6
81.07063	92.6
83.04980	8.2
83.08624	33.8
85.06526	4.1
87.04481	31.5
90.05962	2.3
91.05490	55.4
93.07048	88.6
95.04970	8.1
95.08611	55.1
97.06549	7.5
97.10178	70.2
105.07032	43.0
107.04972	7.2
107.08601	88.9
109.06493	7.0
109.10171	26.8
111.08085	4.3
117.06999	14.0
119.08594	23.3
121.06474	4.1
121.10159	27.4
123.08029	2.8
123.11710	8.7
125.09634	60.1
127.75739	2.3
129.06992	4.3
131.08586	23.2
132.97302	2.3
133.10132	20.0
135.08054	8.1
135.11678	21.1
145.10136	28.6
147.11679	12.2
149.09619	9.5
149.13261	8.2
153.09120	3.9
157.10143	5.1
159.11723	15.1
161.13217	7.0
163.11194	3.3
163.14854	3.1
165.09311	2.5
169.10147	2.7
171.10161	5.4
171.11646	3.4
173.11826	2.7
173.13268	9.6
175.14871	4.0
177.12776	4.1
179.14345	3.6
183.11707	5.4
185.13162	3.2
187.14771	6.5
189.11227	37.4
189.12743	3.4
195.11711	2.7
201.16472	2.9
215.17949	2.4
227.12801	99.3
233.19000	3.3
242.55116	2.7
243.21181	5.2
257.19028	9.6
259.20691	3.9
261.22180	25.8
275.20071	35.3
293.21313	3.5
302.34528	2.3
317.24701	5.0
335.25821	76.9
349.23752	42.0
375.22470	2.4
431.31445	3.8
487.34137	4.1
505.35287	53.3
566.52722	2.6
609.45325	44.8
610.44659	3.5
627.45892	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01867	5.9
55.05515	25.6
57.03438	17.0
57.07073	6.2
58.93510	2.3
59.07935	1.9
65.03942	3.6
67.05508	92.7
69.03431	3.9
69.06729	2.8
69.07073	32.2
71.04990	5.1
78.72247	2.1
79.05493	76.1
81.03409	7.0
81.07059	100.0
83.04981	5.7
83.08618	15.2
85.06540	3.9
87.04472	15.4
91.05484	51.9
93.07043	89.2
95.04948	13.1
95.08611	61.1
97.06553	15.5
97.10163	4.9
99.08094	4.0
105.04530	2.7
105.07034	41.7
107.04975	3.5
107.08601	42.2
109.06499	4.3
109.10160	21.5
111.08073	5.4
117.06981	16.0
119.08574	31.3
121.06532	3.3
121.10139	35.4
123.08073	4.7
123.11722	7.6
125.09590	3.1
128.06242	2.4
129.07019	4.4
131.08569	29.9
133.10127	29.8
135.08051	2.9
135.11700	26.0
137.09624	2.8
143.08630	3.4
145.10127	18.8
147.08055	3.3
147.11728	13.9
149.09622	7.9
149.13251	18.0
151.11160	2.5
157.10126	4.9
159.11673	15.8
161.13271	7.2
163.11163	4.3
163.14862	2.6
169.10123	3.2
171.11694	5.4
173.13278	8.0
177.12753	6.2
179.14236	2.4
185.13304	3.2
187.14825	3.3
189.16486	2.5
195.13780	7.0
197.13240	2.5
199.14890	3.0
233.15372	2.6
243.21008	4.2
255.15892	11.0
257.19055	5.4
259.20758	2.8
261.22195	11.2
269.17502	17.5
275.20096	27.1
317.25073	2.9
327.32523	2.2
335.25818	79.1
349.23730	17.6
367.24866	3.5
515.37500	20.2
529.38898	95.2
530.39337	3.3
606.28613	2.4
609.44623	6.7
649.26154	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07216	2.6
53.03938	6.7
55.01859	9.5
55.05514	50.1
57.03424	13.7
57.07064	11.7
65.03932	6.8
67.05508	100.0
69.06729	4.4
69.07066	49.4
69.14577	7.1
69.14983	28.2
71.04990	4.1
71.08633	11.2
77.03960	3.6
79.05496	92.0
81.03396	6.0
81.07060	95.9
83.04987	7.4
83.08620	27.4
84.07616	2.7
87.04463	23.5
91.05486	65.4
93.07047	76.5
95.04968	7.4
95.08609	75.6
97.06525	12.9
97.10179	35.9
98.21547	7.1
98.98470	4.6
99.08117	6.9
104.98321	2.8
105.07040	48.7
107.04952	8.4
107.08594	68.5
109.06507	5.1
109.10151	36.3
111.08115	4.4
117.07033	19.3
119.08591	34.4
121.06460	4.6
121.10147	33.9
122.73753	3.4
123.11716	6.8
125.09614	25.4
129.06946	6.8
131.08589	22.8
133.10165	25.0
135.08051	6.9
135.11652	20.2
137.09627	4.5
143.08514	3.7
145.10152	22.3
147.11682	16.3
149.09653	7.8
149.13260	10.2
151.11208	3.8
157.10170	5.1
159.11688	17.4
161.13249	11.7
163.11121	8.9
171.10197	5.5
171.11664	4.1
173.13237	8.9
179.14310	19.4
185.13313	4.3
189.11179	9.8
203.70972	3.0
227.12794	65.6
229.19597	4.8
239.17900	3.7
241.19513	3.7
243.21146	3.2
257.19003	12.2
259.20651	3.9
259.97647	3.0
261.22131	15.6
275.20065	41.0
277.21573	9.9
317.24664	3.1
335.25824	68.5
346.50955	3.5
349.23776	42.3
351.25305	10.4
431.31363	3.5
489.35916	7.1
505.35236	14.7
513.39447	6.7
529.38623	4.8
546.41467	7.4
548.86145	3.6
609.37909	3.2
609.45178	36.6
627.46362	21.2
644.48468	3.7
663.48010	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.1
55.05498	25.9
57.07071	24.1
59.27539	10.7
67.05518	65.9
69.07072	29.3
71.51795	14.4
79.05505	42.4
81.07053	58.4
87.04470	100.0
91.05482	60.4
93.07043	42.4
95.08608	37.5
105.07019	37.5
107.08605	33.1
117.07032	20.0
119.08659	25.7
121.10155	17.1
125.61857	8.7
129.06999	18.8
130.15427	10.1
131.08614	18.8
133.10139	21.3
135.11682	17.0
141.06996	12.8
142.44315	11.6
145.10135	17.1
147.11710	18.3
155.08597	13.0
157.10106	12.6
159.11687	18.0
167.20654	10.9
211.76207	10.1
230.18300	9.3
275.19977	15.1
277.21683	12.3
335.25867	11.4
609.44965	37.7
662.44678	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.05270	1.2
55.05514	15.7
57.03441	10.8
57.07082	5.4
59.04996	3.0
61.02932	3.9
65.03946	1.5
67.05511	63.6
69.03420	1.3
69.07072	16.8
69.23560	5.8
71.04991	3.2
71.08616	2.6
71.08970	0.6
73.02900	0.8
79.05508	8.2
81.07063	21.2
83.04942	0.7
83.08624	14.8
85.02917	3.2
85.06538	2.4
85.10181	0.7
87.04467	5.3
89.06024	0.8
91.03944	1.7
91.05499	5.6
93.07048	9.5
95.04974	1.0
95.08618	14.3
97.02900	2.1
97.06512	2.0
97.10172	6.2
98.20750	1.3
99.08113	1.1
103.03893	0.6
104.72345	0.6
105.07029	3.7
107.08604	4.8
109.10166	60.6
111.08083	4.0
111.11716	2.1
119.08592	4.9
121.10155	7.2
123.11694	2.1
125.09628	1.3
127.11221	1.0
132.78271	0.5
133.10135	0.8
135.11681	5.4
137.09642	3.7
137.13258	1.5
149.13249	1.8
155.10693	5.5
166.01057	0.6
172.03139	0.6
173.11751	17.9
184.07198	0.9
219.21118	1.8
229.14374	100.0
230.14752	1.2
237.22031	1.1
277.21933	0.6
311.25821	76.1
312.26251	1.8
374.07080	0.8
465.35818	63.2
466.36102	1.7
474.73672	0.8
662.44525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37353	1.9
53.03946	2.2
55.01879	2.8
55.05511	1.8
55.27419	1.7
56.70007	1.8
57.03432	3.2
67.05508	5.5
69.03436	11.1
69.07080	4.2
79.05492	6.2
81.03421	5.2
81.07053	6.9
83.08587	2.1
84.08126	2.3
85.02891	9.3
86.09722	10.6
91.05479	8.0
93.07042	8.9
95.04993	3.8
95.08612	10.8
97.02892	6.3
103.05492	1.7
105.07025	7.6
107.04978	2.2
107.08593	12.9
109.02844	2.6
109.06567	2.5
109.10178	6.3
111.04476	2.8
117.07069	1.7
119.04957	7.1
119.08610	18.7
121.06493	7.8
121.10146	8.3
122.49883	1.8
123.04435	59.1
123.07994	2.1
123.11720	6.6
125.00016	7.0
127.03958	2.8
130.08662	1.8
131.08580	2.9
133.06529	3.6
133.10127	27.3
135.04431	5.8
135.11684	8.3
137.05954	6.3
137.09685	3.1
139.03940	12.5
139.11211	2.3
147.04419	25.3
147.11711	2.2
149.05988	5.1
149.13237	6.3
151.03925	13.4
151.07481	2.0
153.05441	5.7
161.06038	11.6
163.03926	6.7
165.05486	100.0
167.07063	6.4
175.14835	45.8
177.05469	13.3
179.07028	10.0
184.07355	28.3
189.05521	9.7
191.07051	12.5
192.07481	2.2
193.08604	32.5
193.12347	2.1
193.15874	7.4
194.09009	5.0
195.06494	3.1
205.08640	5.0
207.06520	11.9
209.08150	2.8
257.11453	2.1
275.12750	3.7
277.26309	1.8
291.08722	2.2
299.09140	3.2
300.08063	1.9
301.14471	2.1
303.08649	7.9
313.18018	23.9
317.10214	81.8
329.10443	2.4
331.19055	25.4
341.10095	2.6
343.11819	4.4
408.46292	1.9
416.62415	1.8
465.22632	15.1
475.23138	2.8
483.23764	36.5
493.24500	3.5
541.28882	2.2
645.29529	2.1
662.37115	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	662.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01873	4.6
55.05510	17.5
57.03446	19.2
57.07064	2.3
59.04982	2.4
61.02915	2.6
65.03911	2.2
67.05510	51.6
69.03423	3.5
69.07070	15.6
71.01353	4.5
71.04998	5.7
71.51622	2.2
79.05495	44.0
81.03425	52.6
81.07062	34.8
82.07370	1.8
83.04994	14.1
83.08630	18.8
85.02914	18.6
85.06548	3.4
86.09704	4.3
90.99850	1.5
91.03967	1.9
91.05486	39.3
93.06481	2.8
93.07052	43.0
95.04983	22.4
95.08604	13.8
97.02876	3.6
97.06529	11.2
97.10181	12.2
99.08074	3.0
103.05483	1.5
105.04580	1.7
105.07031	19.1
105.92783	1.4
107.04962	6.0
107.08597	27.6
109.06515	5.6
109.10152	8.5
110.52156	1.5
111.04450	2.5
111.08097	9.5
113.05956	2.0
117.07043	5.2
119.08599	17.9
121.06506	4.6
121.10150	10.5
123.08047	3.3
125.09576	2.1
127.04016	1.5
127.19592	2.4
129.07005	6.0
131.08559	6.5
133.10110	11.4
135.08034	2.1
135.11702	38.1
137.05995	2.0
137.09610	2.3
142.07843	2.9
143.08569	1.7
145.10136	8.4
147.07979	1.7
147.11691	10.2
149.09631	5.5
157.10153	9.9
163.11174	6.3
165.12756	4.6
175.11220	13.3
181.12254	7.0
184.07339	7.0
193.12260	32.2
199.13319	1.9
211.13298	51.4
255.15935	78.9
256.16165	2.2
267.15945	27.1
285.16959	29.6
426.16635	2.2
447.27432	66.1
448.28146	2.2
454.15854	2.4
465.28531	100.0
466.28854	2.7
469.18079	5.3
470.19205	1.9
482.15063	2.5
483.16086	5.5
497.17969	4.4
498.18427	13.2
500.17014	1.7
525.17181	6.6
529.19946	2.3
557.19745	6.2
570.20673	2.2
593.86676	2.4
598.20056	5.4
630.22736	29.0
631.22046	3.4
662.23859	17.3
662.33215	5.7
663.24554	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	662.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01872	0.4
56.67915	0.3
62.06084	0.4
65.03935	0.8
67.05505	0.4
69.95338	0.4
69.95742	0.9
75.04470	0.4
77.03939	0.3
78.04714	1.4
79.05491	1.3
81.07040	0.4
85.02901	1.0
89.03913	0.3
91.05489	5.1
93.03404	2.0
93.07043	1.6
95.04985	1.2
96.46680	0.3
97.06495	0.6
103.05473	2.2
105.03390	0.5
105.07028	3.0
106.04182	4.9
107.04974	1.3
111.04382	0.3
115.05457	0.4
117.03365	0.3
118.04164	0.8
119.04951	3.4
121.06511	8.5
122.03629	0.4
123.04434	3.7
123.08086	0.6
124.05211	0.9
125.05969	1.3
131.04938	1.1
133.02863	2.0
133.06490	3.2
134.03606	1.1
134.04552	0.3
135.04407	0.7
135.08041	0.7
137.05986	4.3
138.06662	0.3
139.07539	0.4
147.04427	3.4
148.05116	0.6
149.05991	12.1
150.06754	1.0
151.03912	0.8
151.07550	3.3
152.04668	1.0
152.08371	0.4
153.05484	0.3
153.09090	2.0
153.16182	0.2
154.33136	0.2
159.04434	0.4
161.06017	1.9
163.03831	0.3
163.07509	0.9
165.05519	0.7
165.09097	2.0
166.06223	1.1
167.07042	100.0
168.07458	1.1
177.05478	5.2
177.06900	0.4
177.09085	1.4
178.06166	0.2
179.07114	2.0
180.07870	0.3
181.08600	12.4
191.07062	1.3
193.08606	13.0
195.10139	0.6
205.08647	0.4
209.06061	0.5
209.08087	13.0
211.09660	49.4
212.10239	1.2
223.07581	0.3
223.09608	0.7
237.86133	0.3
255.12282	0.6
264.60056	0.2
279.53867	0.2
299.12543	0.3
304.08865	0.3
304.35504	0.2
343.15268	0.3
359.14825	0.4
372.34119	0.3
478.43445	0.3
564.80432	0.3
602.97723	0.3
632.48639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21426	0.6
61.02941	0.7
67.05500	2.8
69.03444	1.0
69.27115	2.9
69.27535	2.8
79.05492	1.4
81.03416	1.3
81.07057	2.7
86.09712	0.7
91.05495	1.4
93.07056	0.9
97.02901	0.7
105.07045	1.2
107.08595	0.7
119.08616	0.6
133.10176	0.7
150.17726	0.7
249.95267	0.6
258.19296	0.6
263.62451	0.6
276.20633	0.7
339.08957	0.9
340.15424	1.7
387.14902	0.9
388.16522	0.9
394.17862	0.8
401.16293	1.8
405.16135	0.7
413.16025	1.0
415.13855	1.0
415.18488	1.0
416.14404	1.1
416.19125	1.2
417.16397	2.1
427.14087	0.8
429.15710	8.3
430.16217	3.1
431.17209	4.8
435.17935	1.1
441.15695	1.8
442.17184	1.1
443.18082	3.0
444.18024	10.6
445.19119	3.2
447.17062	0.7
454.16409	3.4
455.17056	3.0
456.18668	3.1
457.14554	17.5
458.20193	1.0
459.16989	1.1
467.17538	1.7
468.18033	1.8
469.19281	4.1
471.16110	6.0
472.17523	31.7
473.18158	4.0
474.19159	1.4
482.15833	1.1
483.17026	1.0
485.18149	2.1
486.14932	0.9
497.18274	4.4
498.19119	0.7
499.20428	1.2
500.17084	2.2
501.17731	1.8
513.18152	0.8
515.19214	4.3
516.20020	2.5
517.21234	0.8
518.21710	0.8
527.19305	1.2
530.21307	1.9
531.22510	13.3
544.20850	0.7
556.19800	2.2
559.21960	64.2
560.22675	3.6
587.21582	5.4
619.24072	100.0
620.24286	5.1
629.22632	6.0
643.24390	1.5
661.25098	78.9
662.25385	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	661.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05564	0.7
62.60710	0.5
67.05579	1.2
69.03483	0.8
69.07130	0.6
70.56280	1.1
70.56645	1.0
70.61967	0.5
79.05544	0.9
81.03519	0.6
81.07152	1.9
82.07524	0.5
91.05558	0.9
93.07130	0.8
95.03222	0.5
95.08704	0.7
98.20831	0.6
105.07112	1.1
118.23579	0.4
119.08679	0.8
147.11868	0.6
149.09773	0.6
151.67355	0.5
159.84752	0.5
228.57990	0.5
387.14932	1.0
388.16644	0.7
401.16660	1.6
402.14496	0.9
405.15863	1.1
415.13638	0.9
415.18414	1.1
416.14429	0.9
416.19125	0.8
417.16199	1.5
418.17566	0.6
419.17624	0.9
428.15128	1.4
429.15616	7.7
430.16199	3.4
431.17102	3.6
435.18353	1.2
440.14471	0.5
441.16010	1.6
442.16626	1.6
443.12817	1.0
443.18427	2.3
444.18088	8.9
445.18967	2.2
447.16830	0.7
448.18582	0.6
453.15674	0.7
454.16644	3.0
455.07648	0.5
455.17764	3.6
456.18430	4.6
457.14572	17.6
458.15012	1.0
458.20471	0.8
459.16705	0.9
461.19196	0.6
467.17642	0.9
468.18231	1.7
469.19287	3.6
470.18961	0.7
471.16110	7.6
472.17444	25.5
473.17929	3.4
474.19531	1.0
482.16132	1.6
483.16470	0.8
484.17358	0.6
485.18521	1.6
496.17740	1.4
497.18460	4.3
499.20016	1.0
500.16705	2.2
501.18185	1.6
514.18195	0.7
515.19360	5.1
516.20258	1.8
524.17426	0.7
528.19867	1.0
530.21747	1.9
531.22516	9.6
549.23767	0.8
556.19659	3.0
557.20551	0.7
559.21942	59.2
560.22156	4.3
569.20667	0.8
577.23560	0.7
587.21539	4.6
597.19647	1.1
619.24060	100.0
620.24310	5.0
629.22473	6.7
643.24097	1.6
661.25031	70.3
662.25403	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	660.483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24429	7.5
53.03949	11.0
55.01868	14.8
55.05498	33.5
55.31404	7.0
57.03424	17.0
57.07072	10.4
65.03940	8.1
67.05507	96.1
69.03426	11.6
69.07066	46.8
69.99630	17.1
70.00020	14.2
71.04983	7.5
71.08620	24.4
72.67244	7.3
79.05493	80.3
81.03378	10.3
81.07058	91.9
83.04953	10.9
83.08616	21.4
90.15992	6.7
91.05483	82.8
92.05791	7.7
93.07041	93.1
94.07380	10.3
95.04939	16.2
95.08600	52.6
96.08897	6.2
97.06530	27.6
97.10168	19.1
98.20775	7.5
99.08083	14.4
103.05440	9.7
105.07040	100.0
107.04955	16.2
107.08621	50.5
109.10155	19.2
117.07003	25.2
119.08578	51.9
121.06451	10.8
121.10143	37.6
129.06970	11.8
131.08548	19.9
133.10168	47.2
135.11665	24.3
136.06139	8.6
136.12073	11.2
137.09557	7.3
145.10104	17.9
147.11693	26.8
150.13528	7.9
151.11200	9.3
159.11703	16.9
161.13301	14.0
177.12677	11.4
179.14281	38.8
180.14615	18.7
185.13126	9.5
187.14818	7.3
223.13431	11.9
225.65097	7.6
241.19608	10.9
259.20493	12.7
267.69839	8.4
275.20071	50.8
277.21585	22.0
278.21954	18.1
282.27933	7.9
291.19501	28.9
292.19910	27.5
298.20465	7.5
315.23056	11.6
333.24188	33.7
349.23602	24.1
352.25461	8.5
365.23178	17.4
366.23511	11.1
470.55667	8.7
494.22049	7.7
533.60742	8.9
607.43494	43.4
625.44476	8.3
642.44464	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.9
69.92406	7.3
69.92776	2.5
70.85426	1.4
72.66013	1.6
76.86435	1.5
91.05497	3.9
95.04966	2.4
105.84186	1.8
111.04436	3.4
115.05456	1.9
119.04936	6.6
123.04441	69.1
132.75816	1.9
133.10162	2.0
135.04364	2.4
139.03914	100.0
147.04434	24.8
151.03902	2.8
161.06020	8.2
163.03877	3.1
165.05475	17.5
167.07118	2.2
179.07050	2.9
189.05444	2.6
207.06552	6.5
273.07669	1.8
291.08698	42.0
299.38489	1.7
362.83856	1.7
619.96985	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	660.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99524	0.9
52.85027	0.8
53.03936	2.5
53.20172	0.9
55.01857	1.1
55.05511	11.1
56.34269	0.9
57.03444	6.9
57.07076	2.0
61.02915	3.1
65.03934	1.5
67.00431	0.8
67.05508	37.7
68.05831	1.3
69.03425	2.2
69.07066	12.8
70.06586	1.8
71.04989	3.4
72.41564	0.9
79.05495	23.8
81.03408	3.9
81.07063	45.1
82.07437	1.1
83.04977	4.2
83.08611	11.0
85.02886	3.6
85.06538	2.8
87.83363	0.8
88.07626	2.8
91.03931	1.4
91.05483	16.2
93.07047	32.7
95.04967	3.2
95.08617	13.5
97.02882	1.8
97.06538	7.0
97.10181	1.5
99.08102	1.4
102.09175	1.2
105.07050	5.6
107.04971	1.9
107.08596	22.0
109.06532	2.9
109.10146	3.5
111.08076	4.7
117.07005	6.6
119.08599	3.2
121.06506	2.8
121.10149	9.6
123.04387	1.1
123.08073	1.1
123.11681	2.5
131.08548	7.1
133.10147	8.5
135.08078	1.6
135.11699	7.2
139.11221	1.3
143.08565	1.0
147.11673	2.5
149.02359	2.1
149.09610	1.1
149.13264	15.7
150.02713	1.7
159.11694	7.4
173.11664	0.9
177.12738	3.8
180.41620	0.9
193.04965	2.8
194.05202	1.5
195.13820	7.6
222.92451	1.0
227.12683	1.4
256.26343	2.0
257.26718	2.2
258.27023	1.3
269.17484	44.7
270.17813	1.0
275.20215	2.1
386.09280	1.2
387.09772	1.2
463.30576	100.0
464.30560	1.9
562.38330	1.1
660.36340	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44403	0.5
53.03947	2.5
55.01873	1.1
55.05515	9.1
57.03439	8.1
57.07078	1.3
61.02923	1.7
65.03929	1.4
65.13806	0.5
67.05509	39.1
68.05813	0.6
69.03428	0.9
69.07074	15.3
71.01337	0.7
71.05006	3.5
72.21581	0.5
73.02917	1.1
79.05496	23.9
81.03400	2.1
81.07060	50.9
82.07387	0.6
83.04990	4.4
83.08622	9.7
85.02882	1.6
85.06556	3.3
91.03954	0.7
91.05486	12.9
93.07049	38.4
95.04972	3.4
95.08613	14.4
97.02868	1.3
97.06526	8.5
97.10149	1.2
99.08083	1.9
105.07038	5.2
106.07424	0.8
107.08598	22.3
109.06512	1.3
109.10164	3.3
111.08080	5.8
113.05998	0.6
113.09656	0.9
117.07026	5.5
119.08602	2.6
120.08916	0.6
121.06471	1.0
121.10142	14.2
123.08036	0.8
123.11710	1.2
127.07554	0.7
131.08563	5.1
133.10143	5.4
135.08003	0.7
135.11700	7.0
139.11174	1.1
147.11697	1.4
149.09642	0.9
149.13261	22.1
149.91194	0.5
151.11186	0.8
157.10094	0.7
159.11694	11.2
177.12776	4.5
195.13821	8.1
212.79176	0.6
213.14857	0.8
252.78702	0.6
269.17493	58.0
270.17770	1.0
275.20142	0.6
276.20404	0.9
463.30573	100.0
464.30914	3.6
521.12665	0.6
642.43805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01871	2.0
55.05518	6.5
57.03430	4.0
61.02920	2.1
64.48980	0.8
65.03935	0.9
67.05509	30.4
69.03436	1.4
69.07066	8.3
69.41150	2.0
69.41561	3.4
71.04996	1.5
73.02927	0.9
75.98360	0.7
77.74920	0.7
79.05067	1.4
79.05495	16.8
81.03416	2.6
81.07060	36.6
83.04989	3.0
83.08624	7.1
85.02907	2.1
85.06538	2.8
89.35419	0.7
91.03941	1.5
91.05485	12.6
93.06485	1.5
93.07054	24.3
93.76936	0.7
95.04993	3.6
95.08605	10.7
97.02915	1.4
97.06551	4.1
97.10189	1.0
98.20794	1.7
99.08076	0.8
105.07027	7.2
107.04955	1.0
107.08600	14.0
107.66724	0.7
109.06551	1.4
109.10160	2.8
111.08115	2.5
113.54285	0.7
117.07036	6.0
119.08600	5.4
121.06508	1.8
121.10148	8.4
123.08108	1.0
123.11730	1.6
129.07019	1.6
131.08592	6.9
133.10150	8.2
135.08104	1.2
135.11725	5.6
139.11127	0.8
143.08572	2.5
145.10138	2.6
147.11694	1.4
149.13286	10.5
151.11214	1.3
155.08592	1.4
157.10156	1.8
159.11722	6.3
171.11644	0.9
173.13269	0.9
177.12843	2.0
195.11937	1.1
195.13776	7.5
197.13316	1.2
233.15517	0.8
251.16515	2.2
269.17499	25.2
291.19824	0.8
353.24701	1.9
371.25797	1.8
389.06903	0.9
389.26730	1.8
417.91156	0.9
445.29596	14.5
463.30576	100.0
464.30899	2.8
481.31610	1.4
607.35095	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	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.01895	0.8
55.05515	5.5
57.03444	4.4
57.07077	0.7
61.02937	3.0
61.74554	0.5
65.03943	0.9
67.05511	25.4
68.13063	0.6
69.03468	0.6
69.07079	8.4
69.35940	0.5
71.01344	0.6
71.04990	2.0
71.10744	1.3
79.05499	17.0
81.03425	1.9
81.07064	38.8
81.61537	0.5
83.04986	2.5
83.08623	7.6
85.02899	2.1
85.06557	1.9
87.75408	0.5
91.03958	0.6
91.04910	0.6
91.05487	12.4
93.07052	26.4
95.04975	3.0
95.08609	9.3
97.02914	0.8
97.06540	4.7
97.10161	1.2
99.08131	1.3
104.36057	0.5
105.04533	0.9
105.07051	5.9
107.04988	0.7
107.08603	14.4
109.06515	1.4
109.10165	2.1
111.08106	2.4
117.07029	6.7
118.19590	0.7
119.08578	3.9
121.06520	1.7
121.10152	7.2
123.08041	0.7
123.11714	2.3
129.07030	2.1
131.08583	6.7
133.06461	0.5
133.10143	7.1
135.08081	0.8
135.11696	4.7
141.07018	0.8
143.08588	1.2
145.10144	1.9
147.11751	0.7
149.13274	9.9
151.11206	1.1
151.85622	0.5
155.08588	1.1
157.10175	1.0
159.11705	6.1
169.10161	0.6
171.11731	0.8
177.12714	2.7
185.13300	1.1
190.29480	0.5
195.12100	0.9
195.13803	5.5
197.13286	0.7
202.74850	0.5
213.14989	0.9
245.77972	0.5
249.12856	0.6
251.16472	1.6
254.91663	0.5
269.17505	30.4
270.17953	0.6
353.24902	2.0
371.25885	2.0
389.27045	1.1
427.28375	0.8
445.29630	11.3
463.30606	100.0
464.30991	3.6
471.32977	0.7
481.32117	0.6
550.42230	0.5
607.35162	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	660.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01864	1.4
56.63306	0.3
58.02018	0.2
62.06071	0.4
63.04722	0.2
65.03615	0.4
65.03941	5.6
67.05476	0.8
68.43987	0.3
69.95371	1.2
75.04458	0.3
76.00294	0.3
78.04700	0.5
79.05494	1.0
81.06993	0.3
82.04201	0.6
85.02896	0.7
89.03905	0.4
91.05494	1.6
93.03405	4.8
93.07011	0.9
95.01339	0.8
95.04952	1.2
97.06513	0.5
98.21494	0.4
103.05487	1.3
105.04455	0.3
105.07031	0.6
106.04163	1.2
107.04951	4.1
110.03660	5.0
111.04439	4.4
115.05449	0.3
117.03365	0.4
117.07002	0.3
119.04920	0.9
121.02866	4.7
121.06496	2.9
123.04482	1.5
125.05999	7.1
129.06982	1.0
131.04921	1.9
133.06470	0.4
134.03654	1.0
135.04427	1.6
135.07991	0.5
137.05994	2.1
138.03107	0.8
139.03918	1.2
144.05663	0.2
145.06491	0.7
147.04407	0.7
147.08052	0.6
148.05237	0.5
149.02330	1.4
149.05991	2.9
151.03906	1.1
151.07538	1.6
153.05473	14.4
153.09126	0.4
157.06494	1.0
159.04387	0.5
159.08057	1.1
161.06007	1.4
161.09641	0.9
162.06831	0.7
163.03893	2.8
163.07535	0.8
165.05510	0.5
165.06985	0.6
167.07059	3.9
167.08437	0.5
173.05910	0.4
174.06784	0.5
175.07585	1.3
177.05484	4.1
177.06921	0.5
178.07732	0.5
179.07071	0.6
179.08534	0.6
180.07780	0.4
181.05026	1.7
181.06459	0.6
181.08640	1.4
182.07278	0.5
182.09358	0.3
183.08028	0.6
184.05176	0.4
187.07535	0.7
188.08241	0.5
189.09091	1.7
191.07004	1.4
191.08589	0.3
192.07726	0.7
193.10056	0.5
194.07254	0.5
195.06609	1.5
195.07808	1.4
197.05946	0.8
197.09669	0.8
199.07538	0.4
205.06462	0.3
206.07234	0.7
207.08069	1.1
208.08777	0.4
209.06094	0.7
209.08061	10.6
210.06755	1.2
210.08818	1.0
211.07599	1.4
211.11125	0.4
212.08371	0.4
213.09134	0.9
217.08583	0.6
219.08125	0.6
219.10187	0.7
220.08772	0.5
221.05965	0.7
221.09647	1.1
222.06790	0.7
222.10384	0.6
223.07553	1.5
223.11198	0.7
224.08333	0.9
225.09128	1.7
227.07050	1.5
227.10699	0.7
234.06841	0.8
235.07516	0.8
236.08388	0.5
237.09108	1.8
238.06293	2.1
238.09877	2.2
239.07080	1.5
239.10710	1.0
240.07808	5.3
241.08514	1.3
248.08296	0.4
249.05417	0.4
249.09062	1.3
249.11253	0.6
250.09775	0.4
251.07144	1.3
251.10605	1.0
252.07729	1.9
253.08606	10.8
253.12254	4.0
254.09335	1.7
255.06593	1.4
255.10240	2.4
257.08194	1.0
263.07059	0.8
263.10736	0.5
265.08627	1.5
266.05728	0.6
266.09387	2.3
267.06625	1.0
267.10138	2.0
268.07175	1.7
269.08127	2.0
269.11346	0.4
270.08893	1.9
270.12814	0.3
271.13358	0.9
272.10474	0.4
277.08453	1.2
278.09341	0.5
279.06628	0.6
279.10233	1.2
280.07529	0.5
281.08096	3.1
281.11716	4.1
282.08881	1.5
283.09656	5.4
283.12909	0.4
284.10413	2.1
285.11234	2.1
285.14847	1.4
294.08896	0.6
295.09659	1.7
296.10379	1.0
297.11136	1.2
298.11981	2.1
299.12714	4.6
300.09863	0.5
301.10648	0.7
303.15945	0.7
309.11169	4.3
310.11896	2.6
311.12823	1.1
312.09982	0.4
313.10699	7.7
313.14383	3.6
316.13022	0.7
326.11508	0.6
327.12274	21.5
328.12946	2.1
329.13806	3.1
331.15271	2.4
339.11981	0.6
341.13828	2.8
343.15302	0.5
344.12390	0.5
345.17026	1.3
357.13315	1.8
359.14880	100.0
360.15189	2.1
371.10504	0.5
371.14914	6.9
372.15695	1.0
389.15948	4.0
390.16855	0.7
490.15891	0.3
660.29730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.4
53.82175	1.5
53.82431	1.6
55.01878	26.1
55.05278	2.7
55.05519	42.0
56.31537	1.4
56.44542	1.5
57.03443	12.0
57.07069	3.3
59.05012	2.8
65.03946	4.5
66.34837	1.7
67.05509	90.3
68.05840	2.1
68.58843	1.6
69.03416	5.8
69.07072	35.3
71.04991	6.4
79.05496	79.9
81.03425	10.1
81.07061	100.0
83.04997	10.8
83.08626	19.5
85.06545	3.8
91.05486	60.8
92.05795	1.7
93.07050	65.8
94.07387	2.5
95.04969	15.7
95.08611	50.1
97.02853	2.2
97.06538	28.4
97.10173	14.9
99.08077	3.8
103.05451	1.7
105.07037	60.9
107.04955	23.1
107.08605	45.6
109.06520	14.6
109.10159	28.7
111.08085	6.5
115.05441	4.5
117.07031	21.9
117.17994	1.6
119.04950	1.7
119.08586	45.7
120.08925	2.7
121.06510	7.5
121.10154	28.2
122.10547	1.9
122.96962	1.7
123.08123	9.6
123.11697	8.0
125.09634	12.4
127.03907	2.0
128.06207	3.0
129.07010	12.5
131.08575	29.7
132.08882	2.4
133.06500	3.7
133.10139	34.3
134.96523	1.5
135.08078	10.5
135.11708	12.7
137.09645	5.9
137.13283	2.3
139.11171	4.4
141.07050	3.7
142.07762	2.9
143.08574	10.0
145.10141	31.6
147.08026	4.1
147.11676	26.4
149.09624	28.0
149.13232	8.5
151.11185	4.4
155.08575	6.9
157.10139	11.8
159.08157	2.4
159.11705	16.5
161.09590	3.9
161.13222	8.1
163.11156	13.8
163.14758	2.4
165.12784	4.9
169.10110	6.5
171.10274	3.4
171.11720	10.2
173.09590	2.0
173.11855	3.1
173.13281	11.4
175.11201	4.6
177.12732	4.6
179.14297	3.3
181.10083	2.3
183.11707	6.5
185.13261	5.8
187.11172	4.2
187.14845	2.4
189.11215	6.3
189.12714	2.1
189.16383	2.4
193.12184	3.6
195.11623	2.4
195.13799	2.4
197.13286	4.6
199.14828	2.7
201.12727	2.9
203.12772	3.5
205.12146	2.7
209.13350	1.9
211.14853	2.6
227.12778	12.9
229.14339	4.5
229.19501	4.8
239.17899	5.0
241.14313	2.4
247.20560	5.3
257.18997	13.2
267.15671	2.4
269.17505	5.0
273.18500	2.6
275.20087	90.0
291.19357	4.7
293.21158	12.0
299.31396	1.7
331.22888	4.4
349.23779	47.5
365.23013	2.2
367.24765	16.3
461.28705	2.9
462.29489	9.7
524.80890	1.9
529.35010	3.0
531.37518	2.0
543.36499	1.9
561.37738	2.8
605.42041	2.3
623.42871	13.4
641.44116	18.2
659.45105	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	659.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32378	1.5
51.02370	2.5
53.03936	6.6
54.85138	1.4
55.01871	12.6
55.05275	1.8
55.05516	28.1
57.03199	1.7
57.03441	20.6
57.07062	2.7
58.36997	1.5
61.71478	1.3
65.03955	7.7
67.05507	100.0
69.03423	4.3
69.07071	24.1
71.01351	3.5
71.05000	2.8
71.08608	3.2
75.89733	1.9
77.03897	2.6
78.17738	1.2
79.05497	73.9
80.06259	1.9
81.03418	12.8
81.07061	78.2
83.01313	1.4
83.04987	21.8
83.08609	11.1
85.06541	4.2
85.42782	1.7
89.06039	2.2
89.86353	1.3
91.05481	65.9
93.07049	62.0
95.01334	1.6
95.04974	41.2
95.08613	58.4
96.05725	2.5
97.02871	4.3
97.06549	9.4
97.10158	5.3
98.07317	2.3
99.08038	2.3
103.05487	2.8
105.04494	4.4
105.07037	47.5
107.04959	54.7
107.08595	36.4
108.05755	2.8
109.06525	21.0
109.10162	20.9
111.00369	1.3
111.04460	8.0
111.08076	5.5
112.05222	5.4
113.05999	6.4
114.42807	1.4
115.05452	4.3
116.06284	1.6
117.07010	21.4
118.07858	1.4
119.04916	5.3
119.08586	28.7
121.06508	14.6
121.10152	18.3
122.07289	12.8
123.04427	5.3
123.08089	7.7
123.11678	4.7
125.05978	3.7
125.09602	2.5
128.06213	6.4
129.05476	2.4
129.07007	13.8
130.07759	2.2
131.04910	3.4
131.08577	30.5
133.06505	17.5
133.08604	2.6
133.10144	15.4
135.04431	2.0
135.08040	10.7
135.11699	14.3
136.08745	2.2
137.05963	4.1
137.09601	4.0
139.07553	2.6
141.06990	5.2
143.08575	11.4
145.06505	10.5
145.10146	17.2
147.08060	24.2
147.11700	9.0
148.08846	2.2
149.09616	5.2
149.13295	5.6
151.07565	2.5
151.11214	2.4
155.08536	3.7
157.06482	1.8
157.10107	4.7
159.08052	6.0
159.11705	11.5
161.09633	19.0
161.13252	5.2
162.10426	3.7
163.07507	2.0
163.11183	6.5
163.19885	1.4
165.09126	2.4
165.12714	2.6
169.10109	4.5
171.11665	4.7
171.91603	1.4
173.09595	2.2
173.13293	7.3
175.11159	4.0
175.14816	2.1
176.94690	1.4
177.11246	1.8
177.12717	6.4
179.14316	2.2
181.10042	1.5
183.11768	1.9
183.74638	1.9
185.13223	2.5
187.11179	4.4
187.14824	5.3
189.12802	4.0
191.14270	2.9
195.11580	1.8
197.13203	2.7
203.14314	3.3
205.15874	3.7
211.14861	1.8
215.14311	4.3
216.53996	1.8
233.15408	11.3
251.16449	2.6
261.14728	2.4
261.22183	2.6
269.17392	1.6
273.18484	10.8
275.20001	4.9
279.15912	1.9
289.18030	4.2
290.18777	14.9
291.19455	4.6
293.20932	2.8
301.14197	1.5
307.19077	6.2
325.20255	1.8
333.23984	1.9
335.25815	87.2
336.26172	3.4
344.02710	1.6
347.22052	2.6
381.22699	16.4
489.36020	1.6
567.40216	11.5
583.39948	1.6
595.39868	18.5
607.44037	2.1
641.43970	26.4
651.28461	1.8
659.28839	35.0
659.39996	2.6
660.28918	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	658.526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01864	5.4
55.05513	23.1
57.03441	14.5
57.07080	37.0
59.04993	4.2
65.03936	2.5
67.05508	79.0
69.03448	1.6
69.07075	21.2
69.19236	2.6
69.19652	10.5
71.04978	4.6
71.08289	2.1
71.08639	26.7
79.05495	24.9
81.07062	49.4
83.04972	3.3
83.08621	22.4
85.06546	4.0
85.10179	14.8
88.22482	1.5
89.06046	8.5
91.05484	20.6
92.05836	1.8
93.06493	1.6
93.07052	24.3
95.04971	5.2
95.08611	36.8
97.06528	6.0
97.10175	16.5
98.20779	3.0
98.98472	2.5
99.08108	1.6
103.07561	1.7
105.07032	16.6
107.04957	3.9
107.08603	22.3
109.06522	3.0
109.10165	52.5
111.08083	2.8
111.11708	1.5
117.07002	6.8
119.08577	13.8
121.06480	2.4
121.10169	9.1
123.11663	5.2
125.09631	8.9
129.06990	1.6
131.08595	6.2
133.08569	4.6
133.10152	8.7
135.08015	2.5
135.11728	7.6
137.09607	3.8
140.44846	1.4
145.10167	6.8
147.11676	4.7
149.09627	3.3
149.13272	3.8
153.09171	1.4
155.10646	5.2
157.10103	1.8
159.11748	6.4
163.11209	4.0
173.11745	10.8
173.13190	2.8
174.77110	1.4
177.11343	2.0
177.12711	3.3
179.14276	3.6
187.14796	1.5
189.11255	4.1
195.13803	1.9
227.12805	20.4
229.14362	55.6
239.17973	2.3
239.23729	2.7
247.20642	1.7
257.19012	4.6
257.24805	3.1
269.17465	13.6
275.17279	2.3
275.20093	23.8
278.21863	1.4
282.10016	1.3
293.21024	3.2
313.27399	100.0
349.23730	18.0
367.24777	9.6
369.44800	1.4
467.37366	41.9
483.37036	2.1
507.40552	21.9
546.38037	7.5
547.39447	3.8
587.46777	15.8
605.47766	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	658.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.7
53.86809	12.0
55.05508	36.5
56.01408	11.7
57.03439	21.0
67.05511	91.5
69.03424	26.0
69.07064	43.9
71.04993	26.1
71.40837	10.6
71.51029	15.1
79.05504	66.6
80.05862	13.7
81.03414	52.3
81.07059	93.3
82.07355	16.3
83.04990	30.6
83.08611	20.3
84.04484	12.9
84.08150	11.6
85.02894	23.2
91.05488	71.2
93.07039	50.6
95.04967	22.8
95.08614	51.9
97.02880	16.2
97.06506	21.0
97.10163	19.3
105.07042	53.4
107.04961	12.4
107.08603	29.6
109.02837	13.0
109.06541	10.2
109.10170	21.4
110.10474	14.9
111.04405	12.0
111.08131	9.9
117.07036	27.8
119.08576	38.1
121.10136	41.6
123.11747	12.8
126.48152	10.1
127.03909	20.5
129.07010	44.2
131.08545	32.0
133.06578	11.0
133.10153	21.4
135.11748	12.2
137.09610	13.0
137.83618	13.9
138.10028	13.3
140.06900	12.0
141.06944	11.2
143.08556	39.3
145.10083	23.4
147.07944	15.9
147.11678	20.0
149.09656	14.3
153.56302	11.0
155.08484	19.5
157.10086	12.7
163.11118	17.2
169.10164	10.8
171.11604	19.3
183.11636	11.7
184.07318	15.7
214.37039	11.5
221.13225	15.6
269.69357	13.0
351.23300	25.6
425.27057	11.8
443.27951	100.0
461.29010	77.7
496.30215	15.3
512.19141	19.3
658.24634	26.0
658.34637	21.4
668.46301	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	658.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01861	1.5
56.24135	0.7
61.22127	0.7
62.06113	0.7
65.03938	3.2
67.05512	1.2
69.03418	1.3
70.06602	1.1
71.50997	0.9
79.05466	2.2
81.03417	2.7
81.07042	1.3
85.02911	2.4
91.05475	6.0
93.03406	2.0
93.07040	1.8
94.04188	1.2
95.04960	2.7
95.08625	0.9
97.06527	2.0
103.04798	1.6
103.05465	19.9
105.03372	1.3
105.07037	3.5
106.04163	2.9
107.04951	7.2
108.02118	1.8
109.06495	1.4
111.04418	1.8
115.05457	3.3
117.03381	1.1
117.07014	3.0
118.04149	3.8
119.04972	1.5
121.06489	4.8
122.03644	2.4
122.59675	0.6
123.04474	6.2
125.05998	2.4
127.03920	1.1
129.07039	1.2
130.04144	1.3
131.04935	28.4
132.05690	1.6
133.02834	1.7
133.06487	4.3
134.03651	1.4
135.04425	1.8
135.08093	1.8
137.05986	47.4
139.03908	8.9
140.04282	1.1
141.07007	0.9
142.05064	0.8
143.04933	1.5
145.06471	3.7
146.03668	0.9
147.04417	3.0
147.08070	2.0
148.05214	9.5
149.05986	7.7
151.03917	77.2
151.04990	4.4
153.05449	2.8
153.09100	0.9
157.06506	1.4
159.04375	0.9
160.05177	1.7
161.05991	4.0
162.06776	0.9
163.03923	5.4
163.07549	20.9
164.04202	0.8
165.05521	3.6
165.09084	0.9
167.07047	15.0
171.04408	1.3
173.06021	2.7
175.07492	4.0
176.04659	3.2
177.05489	9.9
177.09090	0.9
179.07063	2.3
180.07834	0.9
181.04970	16.6
181.06552	1.3
181.08522	4.2
187.07564	2.8
189.05479	1.7
189.09099	2.0
190.06099	0.7
191.07037	100.0
192.07686	2.8
193.08586	1.9
195.06573	3.6
199.07501	0.9
199.34019	0.7
203.07033	3.5
205.06711	0.8
205.08607	3.2
207.10175	1.9
209.08107	24.9
210.08858	2.2
217.06693	0.9
217.08624	2.2
219.08289	0.9
219.10188	3.1
230.08369	0.7
231.06598	1.1
233.08098	3.1
235.09641	4.6
237.09123	1.7
239.10756	0.7
251.06837	0.9
263.06586	1.2
263.09174	16.6
265.08624	2.4
267.10245	1.1
277.08600	1.7
295.09653	1.9
297.11243	1.0
299.12851	1.1
309.11139	0.9
323.09149	0.8
325.10687	1.7
327.12421	1.9
327.43381	0.8
329.14005	1.8
332.08313	1.2
333.08441	0.9
337.10757	0.9
339.12286	1.5
341.14047	1.2
351.12067	1.2
355.11740	5.9
357.13184	1.6
359.14828	1.4
369.13391	3.2
385.12717	0.9
387.14410	29.9
388.14859	1.3
547.19476	1.6
555.25446	0.7
579.21790	1.4
608.60303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.5
53.03948	6.0
55.01877	19.1
55.05516	27.8
56.54932	0.9
57.03442	26.9
57.07070	1.9
59.05017	1.2
63.01921	0.8
65.03949	6.8
67.05508	75.8
69.03435	3.3
69.07071	20.1
71.05019	5.3
79.05498	64.5
81.03410	6.9
81.07063	53.6
83.04992	8.6
83.08619	11.1
85.02917	1.2
85.06550	15.0
91.05487	55.0
93.07051	49.3
95.01339	1.6
95.04974	57.4
95.08611	30.1
97.06526	16.8
97.10174	10.4
98.20687	1.3
99.04473	1.8
99.08103	2.5
103.05453	2.0
105.04556	1.2
105.07039	47.1
107.04960	19.9
107.05637	1.6
107.08602	47.4
109.06525	62.0
109.10167	14.8
111.04463	1.3
111.08088	4.3
111.49837	1.0
113.06009	39.0
115.05434	4.5
116.06227	0.9
117.07034	21.7
119.04979	1.6
119.06053	1.2
119.08588	29.5
121.06523	8.1
121.10144	14.0
123.04431	1.1
123.08044	7.5
123.11733	3.2
125.09646	9.2
128.06244	3.8
128.73776	1.0
129.07010	13.0
130.07790	1.8
131.08574	29.0
133.06473	5.2
133.10146	24.3
135.08064	47.1
135.11691	11.1
137.06018	1.4
137.09662	4.4
139.07558	1.0
141.07022	3.7
142.07785	2.5
143.08574	12.9
145.06483	2.4
145.10127	22.1
147.08072	6.8
147.11694	16.7
149.09628	17.0
149.13271	3.9
151.11162	3.3
153.09164	1.7
155.08595	3.8
157.10156	9.3
159.08099	4.3
159.11708	14.0
161.09645	9.7
161.13225	5.3
163.11188	10.2
163.14737	1.0
165.09148	3.1
165.12802	1.1
167.08578	1.4
169.10153	3.8
171.10217	1.6
171.11668	8.1
173.09563	2.3
173.11874	1.4
173.13280	6.7
175.11180	4.5
175.14857	2.2
177.08931	1.4
177.12761	6.7
179.14366	3.7
181.10214	1.4
181.12224	1.3
183.11671	5.2
185.09648	1.9
185.13300	4.7
187.11186	3.7
187.13136	0.9
187.14731	1.4
189.11256	3.7
189.12766	2.0
189.16479	1.1
191.14371	1.2
191.70110	0.9
193.05133	1.1
193.10391	1.1
195.11778	2.1
195.13811	2.8
197.13319	2.5
199.11108	2.0
199.14870	4.2
201.12761	2.9
205.12233	1.5
209.13293	1.5
211.14909	1.6
213.16333	1.2
213.89777	0.9
215.14319	1.8
217.15883	14.2
219.13835	2.8
223.13200	1.3
225.16614	1.0
227.12781	6.7
227.17937	2.4
229.14261	1.6
229.19594	2.1
233.15436	3.2
237.16420	2.1
239.17982	1.8
245.19095	3.1
255.17580	5.0
257.19061	4.6
259.20813	1.2
271.16995	1.0
273.18527	38.2
274.18781	1.0
275.20090	48.2
279.16110	1.9
289.17987	1.7
291.19559	100.0
292.19891	2.1
293.21054	3.3
309.20612	1.4
333.24182	1.3
347.22177	9.8
349.23764	28.3
365.23267	10.9
415.79309	0.9
525.83264	1.0
541.35229	1.0
545.38196	1.6
559.36090	2.0
621.41333	9.8
639.42511	27.2
640.43109	1.2
657.29065	2.1
657.43927	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	657.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.0
53.03949	12.9
53.42668	1.9
55.01873	17.6
55.05515	33.8
57.03194	2.7
57.03439	32.5
57.07058	9.2
65.03928	7.8
67.05508	100.0
69.03425	4.0
69.06718	2.8
69.07063	24.0
71.04981	7.9
72.46816	2.1
74.46008	2.1
79.05494	72.0
81.03429	14.2
81.07061	88.0
83.04979	18.3
83.08624	20.5
85.06549	11.3
91.05486	93.1
93.07050	78.7
95.01334	3.8
95.04980	51.8
95.08611	59.8
97.02872	4.8
97.06535	17.3
97.10179	11.0
98.07333	2.2
98.20808	6.3
99.08068	3.2
103.05449	3.5
105.04516	4.2
105.07035	77.5
107.04958	42.8
107.08598	42.2
109.06520	26.9
109.10163	23.7
111.04438	3.0
111.08089	10.6
112.05247	3.7
113.06013	15.6
113.09766	2.4
115.05467	8.9
117.07024	38.3
119.04910	2.4
119.08583	48.5
121.06504	16.3
121.10138	21.6
122.07314	2.7
123.08074	14.6
123.11705	6.9
125.05970	2.7
125.09609	6.3
128.06236	5.3
129.05507	3.1
129.07005	18.0
130.07771	2.5
131.08563	49.6
133.06532	11.2
133.10149	33.1
135.08083	20.9
135.11699	22.4
137.05954	2.3
137.09621	6.2
139.11180	2.5
141.06992	10.1
142.07814	5.8
143.08580	21.4
144.09328	5.1
145.06529	10.5
145.10133	34.4
147.08067	16.1
147.11687	21.3
148.08859	3.4
149.09656	12.5
149.13255	9.0
151.11189	5.9
153.07018	3.0
155.08528	13.3
156.09416	3.9
157.10129	21.6
159.08051	7.8
159.11700	29.1
161.09618	16.6
161.13246	12.6
162.10451	3.3
163.11142	10.3
165.06993	4.0
167.08557	5.7
168.09326	2.4
169.10149	16.0
171.11700	17.7
173.09639	5.7
173.11856	3.1
173.13211	13.2
175.11142	5.7
175.14827	6.7
177.12740	10.9
179.08551	4.3
179.11075	2.0
179.14224	4.8
181.10123	5.4
182.10985	2.2
183.11679	6.6
185.09650	2.3
185.13246	11.9
187.11295	11.3
187.14796	5.9
189.12758	4.3
191.08682	2.5
193.10162	3.4
195.11699	6.1
195.13681	3.9
197.09581	2.4
197.13228	6.5
199.11148	3.3
199.14812	9.3
201.12720	3.4
203.14333	4.0
205.15790	2.6
207.11729	4.2
209.13258	5.0
211.14827	4.1
213.12665	3.0
213.16460	4.3
215.14357	5.0
215.17931	3.5
217.15843	4.8
223.13181	4.0
225.12720	2.6
227.12701	6.2
233.13148	2.3
233.15320	5.6
237.16396	3.6
239.18010	4.0
241.14285	2.6
241.19485	6.5
245.19078	3.7
247.16954	2.6
253.19505	2.3
255.17421	3.2
257.19012	4.8
259.20627	13.2
271.16684	2.7
273.16248	2.3
273.18570	21.0
275.20102	36.0
279.15866	15.6
290.18701	2.4
291.19528	57.5
293.21176	3.5
297.16858	2.9
313.21689	2.9
315.23169	3.5
333.24442	13.5
347.22156	5.5
349.23831	13.5
365.23395	7.7
381.22772	11.6
389.27472	2.5
417.45633	2.2
489.33957	2.4
501.35870	2.4
508.66412	3.0
508.73477	2.4
513.35986	2.5
529.36090	2.3
565.38605	3.5
581.37872	3.4
583.40076	5.2
605.41461	4.7
611.39862	4.3
621.41882	6.0
623.42743	8.7
639.42627	39.8
640.43140	4.3
657.43610	43.3
658.44000	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	657.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.05267	1.1
55.05513	14.3
57.03437	1.0
57.07087	4.5
65.03946	2.1
67.05511	28.2
68.64774	0.7
69.03399	0.9
69.07074	20.0
71.05002	0.9
71.08620	1.3
71.50561	1.2
73.64482	0.6
79.05500	28.8
81.03418	4.5
81.06589	1.5
81.07059	26.7
81.07533	1.4
83.05003	3.8
83.08630	10.4
91.05486	20.1
93.07047	24.7
95.04988	6.3
95.08611	21.2
97.06541	2.7
97.10176	6.5
99.08103	1.2
103.05495	0.8
105.04518	1.5
105.07039	12.1
107.04984	2.4
107.08607	8.3
109.06553	2.7
109.10182	6.4
111.08072	0.8
111.11758	1.5
113.00017	9.0
117.07027	2.2
119.08585	7.8
121.10159	6.4
123.08098	1.4
123.11742	1.6
128.06183	0.9
129.07033	4.8
131.08580	1.2
133.10156	3.3
135.11719	5.1
143.08575	2.7
145.10147	2.8
147.11693	10.2
149.13234	2.0
161.09654	0.8
161.13268	4.9
163.14969	0.8
169.02617	4.3
171.11719	9.3
189.12744	4.9
207.13808	12.2
207.35710	0.8
225.14909	2.1
265.25256	2.4
281.17468	4.4
329.75229	0.8
339.28967	0.9
545.42059	100.0
546.42212	3.8
657.50775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38709	1.3
53.03954	7.8
55.01871	13.3
55.05267	2.1
55.05515	31.9
57.03202	1.5
57.03446	26.4
57.07069	3.5
59.05005	3.8
61.02927	2.0
65.03939	4.8
67.05509	100.0
69.03434	29.5
69.07072	16.3
70.06595	3.4
70.72715	1.4
71.01345	2.5
71.05002	12.2
73.02903	4.9
75.27522	1.4
79.05070	2.6
79.05496	36.0
81.03424	49.4
81.06590	3.1
81.07064	56.0
83.04992	18.3
83.08632	17.2
85.02904	17.8
85.06538	3.7
86.03398	1.5
87.04471	3.6
88.07624	3.0
91.05490	30.2
93.07050	36.0
93.41390	1.4
94.07339	1.5
95.04989	11.9
95.08617	27.2
97.02897	28.3
97.06538	9.9
97.10157	11.4
98.20702	3.5
99.04448	7.6
99.08060	1.8
99.77136	1.4
101.02368	1.7
102.09182	2.1
103.03945	2.0
105.07033	20.0
107.04968	9.8
107.08597	22.8
109.02879	8.6
109.06527	9.6
109.10167	60.9
111.04451	5.6
111.08073	8.3
113.06008	3.5
116.04713	4.3
117.07028	9.1
119.08598	18.9
121.06496	4.3
121.10165	11.4
121.10890	1.6
123.08058	4.2
123.11712	3.2
125.09628	18.8
127.03929	15.8
129.05496	24.6
129.07007	5.2
131.08592	11.2
133.06485	1.8
133.10156	11.8
135.08070	6.6
135.11748	7.8
137.09622	3.9
141.06961	1.5
143.07030	2.8
143.08556	3.1
143.10693	2.8
145.10147	8.1
147.08029	2.2
147.11682	9.9
149.02347	4.6
149.09601	6.4
149.13240	10.8
151.11194	2.5
153.12723	3.0
155.08591	2.1
155.10661	5.5
157.08609	4.7
157.10089	2.9
159.11679	8.5
161.09647	3.1
161.13176	1.7
163.11183	5.4
171.10190	2.7
173.04488	27.1
173.09583	2.2
173.11778	18.4
173.13231	2.8
175.11168	2.8
177.12769	2.7
179.14337	1.7
181.10152	1.8
181.12227	3.5
183.11684	1.9
185.11728	5.0
185.13240	2.2
187.11203	1.7
189.11258	3.0
191.10677	2.3
193.05002	5.3
193.12260	3.6
195.12065	2.2
195.13802	10.7
199.13293	3.0
199.15012	1.7
209.11752	6.5
227.12917	7.3
229.14394	47.4
233.15598	1.5
256.26382	6.2
267.15979	2.6
269.17511	14.1
273.18515	4.8
275.20050	6.3
291.19553	9.0
301.16470	2.6
347.22287	2.6
349.23795	4.0
365.23029	2.1
423.27435	5.5
429.11862	2.5
477.28317	2.5
495.29398	3.0
559.37445	2.0
639.33331	2.8
639.42334	4.0
657.34503	12.0
657.43701	3.7
658.35840	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	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.2
55.01881	14.8
55.05267	2.6
55.05516	33.2
56.38186	1.4
57.03441	25.2
57.07074	3.4
59.04990	3.5
61.02922	1.4
65.03935	3.1
67.05511	100.0
69.03436	27.6
69.07074	18.3
70.06593	4.3
71.05003	10.2
71.08665	1.5
73.02909	6.3
79.05072	3.1
79.05499	40.2
81.03423	49.2
81.07062	62.9
83.04986	21.1
83.08620	17.2
85.02917	16.0
85.06544	7.3
87.04485	2.3
88.07633	2.9
91.05488	38.7
93.07051	38.6
95.04980	14.9
95.08617	25.1
97.02902	26.1
97.06519	13.4
97.10184	15.0
98.20785	3.2
99.04478	7.2
99.08085	4.0
102.09162	3.0
105.07045	27.8
107.04932	11.4
107.08599	22.7
109.02877	5.3
109.06522	13.6
109.10164	59.3
111.04443	6.4
111.08091	8.5
113.05993	4.0
116.04722	2.6
117.07020	12.3
119.08600	19.1
121.06497	3.6
121.10165	12.7
122.10874	1.5
123.08095	5.9
123.11694	5.3
125.09647	14.1
127.03920	12.5
128.06241	2.3
129.05496	27.6
129.06963	7.6
130.07840	1.9
131.08597	15.3
133.06488	1.7
133.10146	16.3
135.08073	8.2
135.11676	11.3
137.09604	5.8
143.07039	2.1
143.08594	7.5
145.06485	1.8
145.10104	11.1
147.08057	4.6
147.11717	9.1
149.02391	2.7
149.09608	5.9
149.13251	7.0
151.11185	1.9
155.08548	3.9
155.10655	5.4
157.08600	3.6
157.10103	4.9
159.08020	2.0
159.11703	7.4
159.82684	1.6
161.09598	4.1
161.13301	2.9
163.11201	8.4
164.78195	1.6
169.10161	2.4
171.10231	1.7
171.11682	3.9
173.04463	28.7
173.09578	2.4
173.11815	15.8
173.13193	3.3
175.11205	3.0
177.12807	2.5
181.10088	2.2
183.11664	2.1
185.11739	4.3
185.13277	2.6
189.11189	4.1
191.10716	2.4
193.05019	3.7
193.12312	2.2
195.11911	1.9
195.13817	10.2
199.13322	3.9
211.13174	2.5
217.15991	1.8
227.12730	8.1
229.14326	37.5
256.26379	6.6
257.19055	2.3
267.15915	2.7
269.17535	13.4
273.18506	10.4
275.20114	12.2
283.15225	2.1
291.19577	15.0
301.16595	1.8
347.22052	2.5
349.23956	3.9
353.15466	2.2
365.23068	4.5
423.27515	4.8
429.11618	3.4
495.29694	2.2
559.36377	2.8
621.41309	2.9
639.42731	8.4
657.34735	10.1
657.44403	8.3
658.35925	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47052	1.0
67.05491	2.1
70.90586	1.5
70.90926	2.5
81.07050	1.4
84.97963	0.9
95.08612	1.4
118.53803	1.0
133.86012	1.3
135.11801	1.3
144.08018	1.8
163.11409	1.2
176.46112	1.0
183.09166	1.3
233.10823	1.6
235.12221	2.6
237.13832	1.4
247.12366	2.3
249.13988	1.6
257.10770	1.2
259.12286	1.9
273.13757	1.6
300.10886	1.2
314.16245	1.1
324.40533	1.2
340.18127	1.8
351.16306	1.2
352.17877	1.8
362.15634	2.0
364.17374	2.0
365.17871	3.4
366.19269	1.5
375.95093	1.3
376.17050	1.2
377.17612	3.4
378.19177	2.5
379.19189	3.6
388.18088	1.5
389.17685	2.4
391.19028	4.1
392.20203	2.6
393.16833	2.2
393.20993	2.9
395.18173	1.5
405.16440	1.2
405.21228	2.6
406.21939	2.3
407.18216	3.2
407.22473	3.6
408.19424	4.5
409.20181	4.2
419.18344	1.7
421.19839	6.6
422.20667	4.7
423.21936	19.6
424.22308	3.4
431.18625	1.7
433.20401	2.2
434.20663	2.1
435.22388	6.0
436.22632	2.3
437.23303	4.1
442.21628	1.5
446.21347	1.8
447.22028	2.1
449.23953	2.2
450.24481	2.4
451.20801	5.4
453.22910	1.7
454.20154	3.4
461.24191	6.6
462.21521	2.3
463.21326	2.6
464.21915	3.3
465.23495	5.2
467.24243	4.5
468.24680	2.2
477.23303	5.8
478.24548	2.0
479.24252	5.3
481.22281	2.4
482.22852	1.4
493.21234	5.4
494.27261	5.5
495.23743	13.8
496.24713	5.9
505.22372	1.5
507.23877	2.3
508.25012	13.9
509.25671	11.6
510.26669	10.5
511.27267	13.5
516.24597	2.1
519.24066	1.2
521.25476	4.6
522.25769	3.7
523.15228	1.2
523.22992	5.3
525.28363	1.8
526.29248	1.9
536.24988	1.8
537.25165	24.2
538.25580	11.9
539.26569	1.5
545.38379	2.6
549.24506	1.8
551.22516	3.7
553.28534	12.7
554.24969	1.5
555.25970	3.4
565.24030	4.5
566.25098	2.1
570.28101	4.9
581.27563	25.2
582.26123	1.2
583.25482	6.5
595.29071	2.5
596.27301	1.5
597.27124	58.1
598.27740	10.6
607.25555	2.3
613.30267	77.4
614.30334	5.0
625.26599	100.0
626.26984	5.9
657.29395	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	655.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.3
53.50644	0.5
55.01876	7.3
55.05513	15.3
55.05759	0.6
57.03440	12.6
57.07033	0.9
59.04967	0.7
65.03944	3.0
67.05506	38.2
69.03437	6.3
69.07072	18.3
69.07428	0.7
71.04993	3.2
71.06019	0.9
71.08575	0.5
72.29957	0.5
77.03887	0.8
79.05496	29.6
81.03423	5.0
81.07060	27.0
83.04981	3.8
83.08622	6.4
85.02881	0.8
85.06549	9.3
91.05486	27.5
92.05777	0.6
93.07050	23.4
95.04977	29.1
95.08611	13.7
97.02889	4.3
97.06525	5.1
97.10180	6.6
99.04391	0.8
99.08052	0.8
103.05432	1.0
105.04487	1.2
105.07037	20.7
107.04333	0.9
107.04961	11.3
107.07906	0.9
107.08600	15.1
109.02876	0.6
109.06521	34.1
109.09473	0.6
109.10155	6.7
111.04443	0.5
111.08040	2.2
113.06010	24.7
115.05405	2.1
116.06185	0.6
117.07030	9.8
119.04902	1.5
119.08585	13.3
120.05703	0.6
121.06514	4.7
121.09353	0.5
121.10144	6.3
122.76848	0.6
123.04394	1.4
123.08041	3.8
123.11687	0.9
125.09621	4.9
128.06226	2.7
129.05478	0.7
129.07016	6.3
130.07759	0.9
131.04903	0.6
131.08578	14.3
133.06462	3.8
133.10127	9.0
134.07176	0.9
135.08060	21.8
135.11679	5.7
137.05984	0.8
137.09627	2.5
141.06961	2.3
142.07716	0.8
143.08549	8.9
145.06474	1.7
145.09067	0.7
145.10130	9.9
147.07121	0.6
147.08054	6.9
147.11690	4.3
149.09624	5.0
149.13234	3.6
151.07439	0.5
151.11151	0.8
155.08493	1.8
156.09290	0.6
157.10146	7.3
159.08043	3.3
159.11696	5.5
161.09636	6.7
161.13216	1.3
163.11180	3.3
165.09090	1.6
169.10094	2.0
171.08084	0.8
171.11690	3.8
173.09581	1.5
173.11784	0.7
173.13257	2.2
175.11200	4.5
175.14903	0.7
177.09048	0.8
177.12727	3.5
179.08582	0.5
179.14278	1.0
181.10074	1.2
183.11710	2.5
185.09581	1.4
185.13231	2.0
187.11137	1.2
187.14767	1.0
189.11180	1.5
189.12753	1.1
193.12314	0.7
195.11713	1.8
195.13792	2.0
197.09549	0.6
197.13173	1.4
199.11176	1.1
199.14810	1.9
201.12782	1.6
203.14261	0.7
205.12216	1.6
211.11043	0.7
211.14796	0.7
213.12730	1.0
217.15913	8.7
219.13748	1.2
223.11224	0.6
223.13322	7.5
227.12764	1.9
227.17906	1.7
233.15387	1.3
237.16379	1.8
245.19069	3.4
249.14896	2.4
255.17569	2.5
263.20047	1.2
271.16949	0.5
271.20160	0.5
273.18497	32.7
275.20242	2.6
289.18002	0.9
291.19543	100.0
292.19910	1.8
309.20645	2.0
329.21066	0.9
347.22198	9.2
349.23804	0.8
363.21744	0.9
365.23224	7.7
370.98019	0.6
393.28073	0.7
443.28326	0.6
513.36145	0.6
543.37012	1.3
557.38239	1.2
618.66455	0.5
619.39728	0.7
623.24915	1.8
637.40979	7.7
638.41730	0.6
655.42065	48.8
656.42609	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	655.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03942	4.4
55.01870	2.4
55.05510	12.2
57.03428	3.3
57.07071	2.6
65.03952	1.8
67.05506	52.5
69.07072	11.5
69.14912	8.4
70.06619	3.6
71.04996	2.0
71.08630	3.4
79.05495	38.2
80.64928	0.7
81.03423	3.4
81.07058	47.9
83.04987	6.4
83.08620	6.1
85.06539	2.1
85.10172	0.7
89.06036	0.7
91.05477	28.8
93.07046	31.7
95.04989	7.5
95.08607	30.0
97.06551	2.8
97.10184	3.0
98.21446	1.7
99.08056	1.7
103.05483	0.9
104.76193	0.7
105.04499	1.0
105.07037	20.8
105.39946	0.7
107.04955	2.7
107.08598	10.9
109.06540	3.2
109.10160	10.0
111.08115	1.5
113.00005	8.4
113.88302	0.7
115.05420	1.2
116.07127	5.6
117.06962	4.1
119.08583	13.0
119.09363	1.0
121.06492	1.4
121.10141	5.5
123.08099	1.7
123.11719	2.7
128.06235	1.7
129.07021	5.9
131.08589	2.6
133.10132	7.4
135.11720	3.1
137.13275	1.2
141.07091	0.7
143.08546	3.8
145.10126	4.9
147.08023	1.5
147.11679	14.3
149.13316	1.3
155.57976	0.8
157.10152	1.0
159.11743	1.4
161.09618	1.1
161.13246	5.2
163.11172	1.1
163.14839	1.0
169.02586	4.1
171.11697	11.0
173.13269	1.0
179.14316	1.4
189.12764	5.2
207.13817	13.2
225.14943	2.2
263.23831	3.0
277.21619	0.9
281.17450	4.1
311.29413	2.8
345.55457	0.8
409.19305	0.9
543.40509	100.0
544.40918	1.9
622.28705	1.0
637.48151	1.6
655.49316	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	655.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	13.7
55.01871	7.9
55.05293	3.5
55.05514	28.9
57.03426	11.9
59.04995	3.0
65.03945	6.6
67.05511	81.4
69.03442	17.2
69.07074	15.9
69.23347	26.2
71.05000	49.9
73.62390	2.5
77.89643	2.6
79.05495	46.9
81.03423	95.8
81.07063	100.0
83.04985	30.7
83.08632	24.5
85.02913	27.2
85.06543	10.2
87.44556	2.7
91.05489	62.4
93.07044	32.4
95.04980	33.0
95.08634	20.9
97.02887	17.1
97.06557	13.1
97.10170	12.3
99.04459	9.9
99.08076	4.5
103.05496	3.0
105.07040	44.3
107.04960	14.4
107.08613	28.8
109.02897	21.8
109.06511	12.3
109.10170	12.5
111.04458	11.0
111.08092	8.3
117.07019	11.4
119.04909	3.5
119.08587	23.1
121.06543	6.0
121.10143	15.6
121.88557	3.0
123.04431	6.3
123.08067	3.5
123.11707	17.1
125.09652	6.1
127.03903	11.6
127.31213	2.5
129.07033	8.9
131.08606	14.8
133.06514	4.3
133.10141	28.4
135.04370	3.4
135.11670	8.0
142.07805	3.9
143.08578	3.7
145.10091	8.0
147.08060	5.0
147.11697	26.5
149.09618	8.0
149.13258	8.8
151.11177	7.6
157.10196	13.2
159.11679	8.9
163.11195	4.3
164.50380	2.9
165.12724	4.4
169.10072	4.3
173.04460	9.1
175.11186	11.8
177.12703	7.3
183.13786	3.9
185.13196	3.8
187.13315	11.6
193.12262	26.1
195.13882	3.6
201.14787	5.2
211.13290	44.4
219.13699	2.9
227.12769	4.6
267.15884	19.9
269.17511	7.3
283.15240	4.3
285.16910	6.8
331.08115	7.2
337.16470	4.2
339.18210	6.4
395.20526	4.2
427.23553	3.6
435.27499	11.5
439.26227	3.2
453.28427	14.0
461.28894	14.8
467.29846	8.1
477.28574	3.5
479.30206	4.3
511.32596	9.3
572.08142	3.0
605.32733	6.5
619.43976	3.0
623.34039	12.3
637.35736	4.9
655.36902	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01869	0.6
55.05505	1.5
57.03439	0.8
57.07067	0.4
67.05500	3.0
69.07089	1.7
69.99133	1.5
71.04997	0.4
75.04488	0.4
79.05495	2.9
81.03414	0.6
81.07062	3.4
83.04980	0.5
83.08621	0.6
91.05490	2.3
93.07051	2.8
95.04974	1.6
95.08604	1.8
97.06544	0.5
97.10158	0.4
105.07053	2.2
107.04989	1.0
107.08561	1.5
109.06510	0.5
109.10168	1.1
109.96408	0.3
115.05521	0.3
117.07018	0.8
119.08581	1.3
121.06546	0.5
121.10148	0.9
123.07935	0.3
129.07008	0.5
131.08562	1.2
133.06532	0.4
133.10158	1.1
135.08086	0.5
135.11757	0.3
137.09633	0.4
143.08586	0.7
145.10136	1.1
147.08032	0.4
147.11707	0.5
149.09636	0.4
151.11220	0.4
157.10152	0.7
159.11731	0.4
163.11150	0.4
171.11687	0.6
183.11829	0.3
223.13304	0.4
223.35565	0.3
273.18494	1.0
275.20126	0.6
289.18021	0.4
291.19598	1.4
347.22543	0.3
349.23709	0.3
377.17688	0.4
391.19180	1.4
392.20074	0.5
405.16397	1.9
405.21271	0.9
406.17596	0.5
407.18628	0.4
407.22537	4.0
415.73715	0.3
418.17603	0.5
418.22284	0.5
419.18069	3.0
420.19318	1.0
420.23853	0.7
421.20190	1.3
433.15640	0.6
433.20682	5.2
434.16946	0.3
434.21243	4.0
435.21918	7.3
436.22485	0.5
446.21191	0.5
447.18054	1.8
447.22461	1.4
448.19196	1.1
449.19116	1.5
461.19339	1.2
461.24265	0.9
462.20319	4.6
463.21280	3.9
463.26736	0.4
475.21426	1.8
476.22162	1.3
477.22934	1.3
478.23859	0.7
479.20456	0.4
489.22971	1.0
493.27045	0.5
494.23203	0.4
495.24118	0.8
507.19473	0.6
507.25397	0.4
508.24667	1.7
509.25916	2.1
521.25732	10.0
535.25269	0.6
547.27930	0.5
549.25000	18.1
550.25488	0.7
553.24683	1.4
563.26715	2.6
564.27203	0.7
567.25836	0.4
577.24310	0.7
581.27936	2.9
595.29303	9.4
596.29413	0.7
607.29309	0.5
608.77679	0.4
609.27051	10.4
623.28967	0.9
655.31293	100.0
656.31537	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	655.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01854	1.2
55.05524	5.8
57.03439	2.0
57.07071	3.8
60.05650	1.1
67.05505	11.0
68.05855	1.5
69.07082	5.2
79.05500	8.3
81.03433	1.7
81.07064	9.8
83.04991	12.9
83.08619	2.5
85.06568	0.9
91.05486	6.8
93.07043	6.4
94.07396	1.5
95.05006	5.0
95.08617	5.1
96.08938	1.2
97.06522	3.0
97.10185	1.3
98.20724	1.7
105.07053	6.5
106.07374	1.1
107.04978	1.3
107.08595	6.0
109.06528	1.2
109.10182	3.2
115.05473	1.0
117.07029	2.4
119.08598	5.0
121.10163	1.9
128.06252	1.9
129.06990	4.3
131.08569	4.4
133.10127	4.8
135.08061	1.3
135.11652	1.2
141.07001	1.7
143.08562	1.4
145.10123	4.2
147.08083	1.0
147.11719	3.5
149.09605	0.8
151.11073	0.9
155.08534	2.1
157.10110	2.6
159.11673	1.7
161.13278	0.9
167.08559	1.0
169.10156	1.9
171.11707	1.9
175.01553	6.1
177.12897	1.1
181.02640	9.1
183.11711	1.3
185.13307	1.3
195.11691	1.0
197.13191	1.3
199.08722	0.9
209.10716	1.1
221.10760	1.5
222.11513	1.5
223.12302	3.3
224.13127	2.2
225.13866	2.3
227.04677	3.3
235.12326	1.7
236.13045	2.2
237.13925	6.4
238.14658	3.8
239.15416	1.7
246.11530	1.1
247.12323	2.0
249.13947	3.2
250.14763	1.0
251.11996	0.9
251.15468	5.0
252.16344	1.2
253.17043	3.9
257.05627	1.0
261.13965	6.9
262.14645	2.0
273.18527	1.8
275.20163	2.1
279.14960	2.3
280.15695	1.3
283.11066	1.1
313.11932	5.3
324.15073	1.3
330.20020	1.0
338.16400	1.1
339.16003	0.9
340.17902	1.2
350.16504	1.7
352.17603	2.1
353.17972	1.2
363.16193	1.2
364.17972	1.2
365.17706	1.7
366.19089	2.2
367.19278	2.7
369.18240	2.3
377.17795	5.5
379.14960	1.2
379.19171	3.3
380.16379	1.4
381.20880	1.7
390.15332	1.0
391.19711	2.0
392.20410	1.0
393.16879	1.6
393.21182	1.4
394.17639	1.2
395.18851	3.4
397.20178	1.2
405.16922	2.3
407.18576	4.2
409.20633	1.8
410.20575	1.1
411.21371	1.1
419.18915	1.8
421.20120	2.4
422.21234	2.5
423.21964	1.5
424.19479	1.2
433.20737	1.0
435.18036	3.0
435.27420	0.9
437.20029	3.0
438.20752	2.7
439.21558	2.6
448.19055	2.8
449.19803	4.9
450.20581	3.2
451.21912	1.2
453.23120	0.9
454.23901	1.3
455.20328	1.1
461.16043	1.0
462.20813	1.1
463.21304	1.7
465.19034	8.0
466.19736	1.2
469.26544	4.3
476.18582	2.0
477.18729	1.2
479.24112	3.9
480.22000	1.9
481.22189	2.4
482.23178	3.4
483.20398	2.6
493.22076	2.8
497.25891	7.9
507.24158	5.5
508.20700	4.6
509.22662	1.3
510.22424	3.4
514.25928	6.1
521.22156	1.0
524.24213	1.9
525.25061	8.4
527.23114	1.0
529.28345	4.9
535.23297	5.1
538.21869	1.3
542.25311	2.4
542.39087	1.8
543.19305	5.0
543.37390	2.1
552.23779	1.8
553.24762	5.5
557.27618	3.4
563.22809	2.8
565.27997	2.7
567.26160	6.1
569.27496	1.9
581.23688	4.6
585.18695	1.6
585.27191	20.3
595.25543	100.0
596.25616	3.7
599.25439	9.5
613.26624	96.1
614.26550	2.9
623.24988	3.6
636.46857	2.4
654.47961	5.1
655.28235	12.1
655.49658	1.8
656.27747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2765
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.03933	1.5
55.01854	1.2
55.05524	5.8
57.03439	2.0
57.07071	3.8
60.05650	1.1
67.05505	11.0
68.05855	1.5
69.07082	5.2
79.05500	8.3
81.03433	1.7
81.07064	9.8
83.04991	12.9
83.08619	2.5
85.06568	0.9
91.05486	6.8
93.07043	6.4
94.07396	1.5
95.05006	5.0
95.08617	5.1
96.08938	1.2
97.06522	3.0
97.10185	1.3
98.20724	1.7
105.07053	6.5
106.07374	1.1
107.04978	1.3
107.08595	6.0
109.06528	1.2
109.10182	3.2
115.05473	1.0
117.07029	2.4
119.08598	5.0
121.10163	1.9
128.06252	1.9
129.06990	4.3
131.08569	4.4
133.10127	4.8
135.08061	1.3
135.11652	1.2
141.07001	1.7
143.08562	1.4
145.10123	4.2
147.08083	1.0
147.11719	3.5
149.09605	0.8
151.11073	0.9
155.08534	2.1
157.10110	2.6
159.11673	1.7
161.13278	0.9
167.08559	1.0
169.10156	1.9
171.11707	1.9
175.01553	6.1
177.12897	1.1
181.02640	9.1
183.11711	1.3
185.13307	1.3
195.11691	1.0
197.13191	1.3
199.08722	0.9
209.10716	1.1
221.10760	1.5
222.11513	1.5
223.12302	3.3
224.13127	2.2
225.13866	2.3
227.04677	3.3
235.12326	1.7
236.13045	2.2
237.13925	6.4
238.14658	3.8
239.15416	1.7
246.11530	1.1
247.12323	2.0
249.13947	3.2
250.14763	1.0
251.11996	0.9
251.15468	5.0
252.16344	1.2
253.17043	3.9
257.05627	1.0
261.13965	6.9
262.14645	2.0
273.18527	1.8
275.20163	2.1
279.14960	2.3
280.15695	1.3
283.11066	1.1
313.11932	5.3
324.15073	1.3
330.20020	1.0
338.16400	1.1
339.16003	0.9
340.17902	1.2
350.16504	1.7
352.17603	2.1
353.17972	1.2
363.16193	1.2
364.17972	1.2
365.17706	1.7
366.19089	2.2
367.19278	2.7
369.18240	2.3
377.17795	5.5
379.14960	1.2
379.19171	3.3
380.16379	1.4
381.20880	1.7
390.15332	1.0
391.19711	2.0
392.20410	1.0
393.16879	1.6
393.21182	1.4
394.17639	1.2
395.18851	3.4
397.20178	1.2
405.16922	2.3
407.18576	4.2
409.20633	1.8
410.20575	1.1
411.21371	1.1
419.18915	1.8
421.20120	2.4
422.21234	2.5
423.21964	1.5
424.19479	1.2
433.20737	1.0
435.18036	3.0
435.27420	0.9
437.20029	3.0
438.20752	2.7
439.21558	2.6
448.19055	2.8
449.19803	4.9
450.20581	3.2
451.21912	1.2
453.23120	0.9
454.23901	1.3
455.20328	1.1
461.16043	1.0
462.20813	1.1
463.21304	1.7
465.19034	8.0
466.19736	1.2
469.26544	4.3
476.18582	2.0
477.18729	1.2
479.24112	3.9
480.22000	1.9
481.22189	2.4
482.23178	3.4
483.20398	2.6
493.22076	2.8
497.25891	7.9
507.24158	5.5
508.20700	4.6
509.22662	1.3
510.22424	3.4
514.25928	6.1
521.22156	1.0
524.24213	1.9
525.25061	8.4
527.23114	1.0
529.28345	4.9
535.23297	5.1
538.21869	1.3
542.25311	2.4
542.39087	1.8
543.19305	5.0
543.37390	2.1
552.23779	1.8
553.24762	5.5
557.27618	3.4
563.22809	2.8
565.27997	2.7
567.26160	6.1
569.27496	1.9
581.23688	4.6
585.18695	1.6
585.27191	20.3
595.25543	100.0
596.25616	3.7
599.25439	9.5
613.26624	96.1
614.26550	2.9
623.24988	3.6
636.46857	2.4
654.47961	5.1
655.28235	12.1
655.49658	1.8
656.27747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1871
Annotation	5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone 7-O-(6''-glucosylglucoside)
Peak:m/z	Relative Intensity
55.38968	0.1
70.47247	0.4
98.21523	0.1
122.03641	0.2
122.85221	0.1
139.03940	0.3
144.36230	0.1
150.03128	1.0
151.03908	0.4
153.01871	0.3
165.01826	0.4
178.02563	0.7
179.03391	1.2
182.82999	0.1
197.62143	0.1
213.05550	0.2
241.04970	0.5
242.05746	4.7
245.04520	0.4
253.04971	0.2
258.05237	0.3
269.04419	1.2
270.05240	2.7
271.05881	0.3
273.04001	0.4
285.04007	0.3
286.04709	0.5
287.05484	7.0
288.06201	0.7
297.04095	0.3
298.04639	1.2
299.05505	3.2
301.03384	1.4
302.04221	1.3
313.03427	0.5
315.04980	13.1
316.05777	2.2
331.08118	100.0
332.08463	1.4
403.88556	0.2
493.13416	12.8
494.13342	0.3
516.01489	0.2
655.19330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79239	3.5
50.94040	3.4
51.72825	3.5
53.03933	8.0
55.01877	30.4
55.05518	38.4
57.03431	8.9
57.07076	14.7
65.03936	5.4
67.05183	4.9
67.05511	71.6
69.06732	4.9
69.07076	67.0
71.08633	6.8
71.51624	4.2
79.05502	57.3
81.03410	14.5
81.07064	74.7
83.05001	6.0
83.08620	19.8
85.06554	6.5
91.05493	58.3
93.07056	51.8
95.04952	8.8
95.08618	58.7
97.02924	4.5
97.06535	28.2
97.10178	8.9
105.07037	70.4
105.07700	6.1
106.07421	4.7
107.04984	6.9
107.08599	34.7
109.10156	23.2
111.08076	5.0
117.07021	25.5
119.08585	52.0
121.06564	4.5
121.10152	14.3
123.08114	5.3
123.11718	5.6
125.09621	5.8
128.06230	5.3
129.07027	17.5
131.08568	46.8
133.10133	40.3
135.11693	13.2
137.09592	5.4
141.06996	7.6
142.07765	5.1
143.08563	28.9
145.10136	42.0
147.11656	23.5
149.13301	9.6
151.11185	3.8
155.08586	16.5
157.10127	22.8
159.11687	28.0
161.13254	10.1
167.08595	4.9
169.10075	17.0
171.11673	20.5
173.11952	3.3
173.13261	16.6
175.14851	7.1
179.08559	3.8
181.10089	6.6
183.11678	18.1
185.13289	15.5
187.14767	11.6
195.11746	11.0
196.99417	3.6
197.13298	14.7
199.14899	12.2
207.17523	10.9
209.13231	7.2
211.14870	8.2
213.16327	4.6
221.61259	3.5
225.13927	5.9
225.16386	5.5
229.84192	4.0
241.19566	15.6
257.19009	4.1
259.20621	11.3
270.14798	3.3
275.20078	5.6
285.22171	8.2
303.23209	38.3
309.21841	4.5
333.24246	23.9
377.26993	17.1
407.22351	5.1
420.19424	3.5
434.20734	4.9
435.22083	5.0
445.19882	5.2
449.19986	4.6
459.21985	6.2
463.36160	4.0
465.37045	11.4
487.21191	8.0
501.22327	4.7
506.26834	4.3
507.27835	6.4
519.23792	7.5
521.25421	10.0
529.21686	6.1
529.38623	4.7
533.25067	4.0
539.40796	7.9
541.38647	7.0
543.42712	5.5
561.24969	92.7
561.43073	10.4
579.44208	4.4
589.24591	7.2
593.31390	19.3
621.27094	84.8
635.46722	50.3
653.32892	100.0
653.46973	63.2
654.33441	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	653.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.9
55.01885	13.3
55.02115	2.3
55.05515	44.1
56.19250	1.9
57.03436	8.5
57.07067	6.1
61.94205	1.8
65.03943	6.3
67.05509	92.0
69.03445	5.9
69.07070	41.9
71.04998	5.8
71.08633	4.3
71.51082	3.7
79.05502	77.9
81.03432	7.2
81.07066	87.9
83.04993	12.0
83.08631	25.1
85.06563	6.2
91.05487	66.9
93.07053	73.4
95.04994	12.5
95.08619	64.0
97.06535	15.5
97.10175	14.2
99.08105	2.5
103.05476	3.5
105.00762	1.9
105.04450	1.9
105.07042	54.5
107.04974	7.9
107.08604	46.6
109.06551	7.3
109.10153	29.0
111.08113	3.5
113.00076	5.5
115.05460	4.8
117.07023	27.7
119.08598	41.9
120.66838	1.6
121.06557	2.6
121.10147	25.6
123.08070	5.1
123.11687	14.7
125.09623	9.4
128.06274	6.5
129.07024	25.6
130.07840	2.1
131.08588	38.3
133.06572	2.1
133.10129	32.2
133.10922	2.3
135.08105	7.1
135.11690	18.8
137.09642	2.6
137.13310	2.4
139.11212	2.7
141.07001	10.4
142.07820	6.7
143.08578	27.5
144.09253	2.3
145.06543	3.5
145.10127	36.1
147.08084	4.1
147.11703	24.3
149.05981	2.0
149.09662	7.4
149.13235	9.8
151.11293	4.0
153.07043	2.7
154.07779	3.4
155.08578	17.9
156.09398	3.4
157.10165	24.8
159.08095	3.1
159.11700	26.3
161.09709	3.5
161.13292	9.7
163.11235	4.0
163.14842	4.3
165.07074	4.4
167.08633	7.0
168.09453	2.5
169.10161	25.9
171.11697	25.2
173.09593	2.5
173.11897	3.6
173.13257	14.2
175.14861	3.0
177.12863	2.6
177.16516	2.2
179.08617	6.7
179.14383	3.2
181.10204	9.0
183.11711	25.2
185.13242	14.9
187.13425	3.2
187.14906	7.2
189.11250	3.6
189.12769	3.5
189.16455	2.3
193.10159	4.3
195.11739	12.1
197.13344	15.7
199.14865	9.4
201.16498	4.4
205.10094	2.2
205.12238	2.2
207.11777	8.4
207.13905	6.9
209.13322	8.4
211.11237	2.1
211.14868	11.7
213.16467	6.3
215.18001	3.1
221.13409	4.7
223.14915	5.7
225.16536	6.0
227.12852	5.4
227.18150	3.3
229.14249	3.1
235.14882	2.5
237.16370	4.6
239.18082	5.4
241.19608	4.3
243.15921	2.7
243.21320	2.9
247.14990	2.5
251.18106	3.9
253.19727	4.4
257.15668	2.1
257.19135	3.3
259.20636	2.6
261.22278	4.3
267.21198	2.1
273.18817	2.7
275.20190	6.8
281.17377	10.6
285.22235	4.3
287.23706	3.1
303.23178	3.5
311.24207	2.5
315.23514	2.7
317.24933	3.4
327.23480	2.3
337.25644	2.8
349.24512	3.0
359.26053	2.2
361.27350	2.7
367.30087	2.4
393.31808	7.1
407.33252	2.7
409.35248	3.6
411.33020	3.3
431.33719	3.0
449.34830	4.3
525.41882	2.3
541.39063	52.8
543.41852	8.2
561.43066	12.8
579.44324	10.3
597.43811	2.5
617.46008	3.9
635.46844	52.4
653.47943	100.0
654.48145	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.01862	3.6
55.05516	14.3
57.03437	2.6
57.07080	2.9
59.25130	1.5
65.03938	3.9
67.05511	41.3
69.03420	1.8
69.07073	10.9
71.04985	1.7
71.50765	1.7
79.05500	58.6
81.03421	5.6
81.07064	37.7
83.05006	7.0
83.08617	4.8
85.06552	2.6
85.26582	1.5
89.06040	1.3
91.05489	36.5
93.07056	48.3
93.96162	1.3
95.04998	10.8
95.08059	2.3
95.08619	26.2
97.06515	2.9
97.10181	2.5
105.04494	1.7
105.07047	28.9
107.04968	1.7
107.08607	16.5
109.06545	2.2
109.10176	8.7
113.00028	10.0
117.07024	6.6
119.08588	14.2
121.06508	2.1
121.10152	10.2
123.08075	4.3
128.06194	1.7
129.07037	7.0
130.07816	1.5
131.08588	5.6
133.10143	8.2
135.11694	4.7
143.08565	3.5
145.10138	6.3
147.08134	1.6
147.11696	14.0
156.69482	1.3
159.11728	4.0
161.09612	2.9
161.13274	6.0
169.02676	4.0
171.11691	11.4
173.13387	1.5
189.12781	5.0
206.80664	1.6
207.13844	17.7
225.14897	1.9
281.17346	1.9
301.21640	1.6
335.25909	1.9
541.38971	100.0
542.39038	2.6
605.02771	1.7
653.29529	5.7
653.47253	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	653.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.5
55.01869	8.4
55.05514	26.5
57.03444	21.4
57.07073	2.9
59.05009	2.7
61.02922	4.1
61.50598	3.0
63.89392	2.5
65.03925	4.0
67.05506	100.0
68.05846	5.0
69.03438	20.9
69.07063	12.8
70.67334	5.9
70.67717	6.3
71.04989	19.0
77.76571	3.0
79.05496	75.2
81.03420	81.9
81.07063	88.2
82.07393	4.9
83.04992	20.9
83.08617	23.1
85.02891	19.9
85.06541	6.0
91.05478	75.8
93.07046	69.6
95.04976	32.5
95.08617	32.2
97.02905	14.9
97.06529	9.9
97.10190	5.8
99.04472	4.7
102.77469	2.9
103.05462	3.2
105.04555	2.9
105.07037	48.4
107.04950	14.6
107.08606	25.9
109.02887	13.1
109.06537	14.3
109.10159	36.3
110.10503	8.4
111.04441	10.6
111.08095	6.9
117.07028	11.7
119.08582	37.6
120.60938	3.0
121.06487	6.9
121.10130	12.6
123.08055	4.1
123.11712	6.0
125.09599	5.8
127.03919	11.3
128.06245	4.5
129.05460	4.9
129.07010	15.8
131.08556	16.5
133.06531	5.0
133.10143	22.8
135.08102	2.8
135.11688	11.3
141.06976	3.3
143.08591	9.7
145.06468	4.3
145.10110	16.4
147.04428	4.2
147.08031	4.1
147.11693	32.3
149.09677	4.3
157.10167	8.6
159.07983	4.2
161.06068	4.6
161.13269	8.6
163.11192	9.5
165.12721	4.4
171.11673	18.8
173.04514	4.9
173.11768	6.1
175.11217	10.2
189.12785	7.2
190.78600	2.8
191.10690	3.9
193.12236	25.9
207.13786	22.9
211.13283	27.4
227.12692	13.7
229.14317	8.5
230.14879	3.6
259.17154	3.0
267.15897	19.3
281.17514	46.4
285.17047	10.4
287.16483	4.4
337.16663	3.7
397.25873	11.5
398.26215	18.9
424.27740	8.0
429.21100	8.9
455.29620	8.9
456.30667	19.5
473.28967	51.6
491.29895	21.5
556.52936	3.7
635.34161	17.1
653.34741	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	653.2974
Annotation	Haplophytine
Peak:m/z	Relative Intensity
53.03942	2.6
55.05516	6.2
57.03437	1.5
57.07065	1.2
63.84948	1.3
67.05511	17.6
69.07079	5.3
71.08636	1.4
71.51288	1.7
73.06536	1.3
79.05501	20.9
81.03399	2.0
81.07064	15.8
83.04993	3.2
83.08636	2.7
91.05474	12.0
93.07056	15.1
95.04980	5.8
95.08627	8.9
97.10169	1.6
105.07053	8.0
107.04929	1.3
107.08608	7.9
109.10169	3.8
113.00040	3.3
117.07042	1.4
119.08598	7.1
121.10159	3.3
129.06999	2.4
131.08627	2.1
132.35025	1.2
133.10149	4.2
135.11742	2.6
142.77866	1.3
145.10159	1.8
147.11713	4.4
149.13295	1.5
171.11761	5.2
207.13919	3.9
235.12242	1.3
281.17496	2.7
389.17844	2.6
390.18411	2.2
391.19406	3.1
403.19711	3.8
404.20267	6.5
405.20761	13.4
417.21164	3.2
418.22260	2.6
419.22507	11.9
420.22934	6.1
421.24118	1.3
431.22650	3.3
433.23853	9.1
434.24698	3.7
447.22052	5.7
449.19598	8.5
450.20715	1.7
459.22043	3.1
462.21201	1.7
463.21463	9.2
464.22333	4.7
465.23083	1.5
471.18655	1.6
475.21637	4.3
477.23123	4.7
478.24008	2.0
479.24509	40.6
487.21637	6.6
491.19931	1.7
491.25073	2.5
492.25418	2.8
493.26062	2.6
501.22833	5.3
507.27646	26.4
508.27390	1.7
519.24060	4.2
533.25238	6.2
535.22949	1.7
537.24933	10.5
541.38995	38.2
551.26556	41.6
556.37079	1.4
560.24469	2.1
561.24713	8.3
565.28204	21.2
566.28949	94.6
567.29291	3.5
575.26392	7.1
588.24023	1.7
593.27631	12.8
603.26227	2.8
621.27142	20.3
632.46545	1.4
635.28644	10.3
653.29767	100.0
654.29938	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	652.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01875	1.7
55.05518	10.4
57.03444	6.9
57.07074	1.7
59.04999	3.5
61.02918	3.5
61.88303	0.8
65.03944	1.8
67.05509	100.0
69.03426	3.6
69.07082	4.7
71.04998	16.1
71.51415	1.8
73.02898	1.1
79.05494	11.8
79.19495	0.8
81.03411	2.9
81.07062	65.0
83.04980	3.6
83.08620	8.5
85.02907	3.7
85.06544	9.1
91.05485	17.3
93.07044	12.0
95.04982	2.5
95.08614	10.8
97.02888	3.2
97.06522	3.5
97.10176	1.9
105.07036	7.7
107.08616	8.0
109.02885	1.1
109.10164	77.5
111.08073	4.0
117.07045	2.0
119.08597	6.3
121.10131	3.7
123.11711	12.0
125.09673	1.2
131.08545	1.5
133.10153	11.8
135.00519	0.9
135.11667	2.4
137.09637	3.6
144.03229	0.9
147.11574	1.7
149.13261	2.9
151.11185	5.1
155.10683	4.6
159.11697	3.5
163.11171	1.3
163.97055	0.8
169.12224	2.0
173.11748	13.9
177.12729	2.2
183.13875	2.6
187.13312	4.0
195.13774	1.5
201.14764	1.0
207.13890	1.0
214.83525	1.0
229.14368	24.1
257.17508	1.1
269.17535	2.6
301.20090	13.5
397.25879	85.1
398.26373	1.1
411.27490	5.2
423.27460	32.2
455.30127	87.6
456.30515	2.3
630.56378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.01877	3.5
55.05512	33.0
57.03442	11.1
57.07069	4.9
64.97643	1.9
65.03938	4.9
65.35745	2.2
67.05508	100.0
69.03433	22.4
69.07070	16.6
71.04984	8.6
71.51634	3.6
73.02908	2.6
79.05499	42.4
81.03424	48.4
81.06589	3.8
81.07058	59.6
83.04990	24.2
83.08628	17.1
85.02897	6.7
85.06535	7.3
91.05476	37.2
93.07039	37.7
95.04984	11.4
95.07990	2.4
95.08604	45.6
97.02907	17.1
97.06496	4.4
97.10175	16.6
99.04431	5.2
99.08081	2.7
105.07042	28.7
107.04966	5.1
107.08595	27.6
107.81781	1.9
109.02873	7.4
109.06502	7.9
109.10162	49.5
111.04438	9.3
111.08081	5.6
113.09577	2.2
113.74268	2.0
115.05422	3.1
117.07014	16.0
119.08580	23.1
121.06507	4.7
121.10152	14.6
123.08056	3.6
123.11686	8.6
125.09624	15.5
127.03915	6.5
127.80602	2.9
128.06218	5.1
129.05496	10.3
129.06982	8.2
131.08582	21.1
133.06494	4.5
133.10164	14.9
134.66548	2.0
135.08043	6.5
135.11702	12.9
137.09610	3.3
141.06979	3.8
143.08565	9.6
143.13029	2.4
145.10101	13.7
147.08015	2.8
147.11685	11.4
149.09625	5.4
149.13235	6.8
151.07455	2.1
153.09048	3.4
155.08601	5.4
155.10629	4.0
157.10146	9.2
159.08032	5.6
159.11708	7.9
161.09755	3.4
161.13258	7.8
166.07796	2.1
167.08609	3.9
169.10152	5.1
171.08072	2.6
171.11673	6.0
173.09612	2.5
173.11710	13.1
173.13246	6.9
181.10141	4.2
183.11685	7.7
185.09712	3.1
185.13304	4.7
187.14854	2.8
189.11223	12.0
189.16429	2.3
195.11600	3.7
197.13286	2.4
199.14807	3.1
209.13255	2.5
227.12773	12.8
229.14368	26.5
243.17339	2.3
245.14055	2.9
259.20578	3.3
261.22235	7.0
275.20160	2.4
277.21906	2.8
283.20587	3.3
301.21594	5.3
319.22809	2.5
327.23029	3.9
335.25793	9.0
337.27185	6.1
351.23187	5.2
369.24261	9.7
370.83890	2.2
371.16974	4.3
373.18771	4.2
387.25385	7.4
405.26300	4.8
443.28143	4.2
461.28870	4.1
479.30130	3.3
489.35681	5.5
507.36288	4.8
597.37256	3.0
615.38599	3.3
623.58447	2.3
633.39380	18.2
651.39801	8.5
651.46234	3.7
664.38379	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.0
52.29272	2.1
53.03945	13.3
53.89116	1.9
55.01877	5.9
55.05516	42.7
57.03441	8.3
57.06790	3.0
57.07079	41.5
58.48738	1.9
59.10117	2.2
62.87670	1.9
65.03944	4.1
67.05511	100.0
69.03435	35.6
69.07076	33.1
71.04987	8.7
71.08636	24.6
71.51173	2.6
71.56363	1.8
79.05498	45.6
81.03423	60.8
81.07063	95.0
83.04982	19.4
83.08621	23.3
85.02918	9.2
85.06546	5.4
85.10197	13.7
91.05486	51.0
91.06023	3.9
93.07050	51.3
95.04977	18.3
95.08611	67.2
97.02885	18.2
97.06546	11.8
97.10175	15.0
99.04481	5.4
99.08133	4.2
105.04542	2.7
105.07039	35.4
107.04984	7.0
107.08603	36.4
109.02890	10.5
109.06554	7.3
109.10165	57.1
111.04481	12.9
111.08129	5.7
115.05434	2.7
117.07046	21.4
119.04964	3.2
119.08592	28.2
121.06517	7.7
121.10173	19.4
121.63818	1.9
123.08125	4.6
123.11721	12.1
123.55260	2.4
125.09655	8.1
127.03908	12.3
128.06241	2.1
129.05522	6.0
129.06976	11.2
131.08582	23.7
133.06552	4.9
133.10147	22.0
135.08112	6.2
135.11700	13.6
137.09653	5.8
137.13272	2.7
139.11224	2.4
141.07002	2.6
143.08609	7.9
145.06561	4.0
145.10091	14.0
147.08078	3.9
147.11700	18.8
149.09647	4.2
149.13245	11.9
155.08630	6.7
155.10716	3.8
157.10141	9.8
159.08096	2.3
159.11708	16.3
161.09587	2.2
161.13286	6.1
163.11215	3.7
165.12857	2.5
167.08592	3.0
169.10167	7.6
171.10307	3.0
171.11589	9.7
173.09682	2.3
173.11800	9.8
173.13358	8.7
175.11208	4.4
175.14812	2.7
177.12798	7.9
179.14281	2.7
183.11783	6.5
184.07355	4.0
185.13315	6.0
187.11259	2.3
187.14937	2.8
189.11301	9.2
195.11824	4.1
195.13893	6.6
197.13339	4.8
199.14955	3.2
207.17401	3.4
211.11160	2.8
213.12712	2.8
219.13782	2.8
221.13399	2.9
227.12894	7.0
229.14355	19.0
239.23804	9.5
241.19424	2.8
245.13974	2.7
259.20804	2.8
261.15317	2.9
261.22314	3.4
275.20200	4.9
285.22156	3.1
301.21823	6.3
303.15829	2.8
303.23441	7.6
313.27530	9.5
315.23120	2.2
319.22684	2.7
321.16898	3.3
335.25970	4.3
337.27390	5.3
339.18066	10.6
351.23270	3.8
369.24500	6.8
371.17090	2.4
373.18430	2.9
387.25311	3.8
395.20633	13.8
461.29144	2.7
479.30292	2.6
489.35745	4.1
507.40598	9.5
615.38806	3.6
633.40247	8.8
651.44983	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.0
52.29272	2.1
53.03945	13.3
53.89116	1.9
55.01877	5.9
55.05516	42.7
57.03441	8.3
57.06790	3.0
57.07079	41.5
58.48738	1.9
59.10117	2.2
62.87670	1.9
65.03944	4.1
67.05511	100.0
69.03435	35.6
69.07076	33.1
71.04987	8.7
71.08636	24.6
71.51173	2.6
71.56363	1.8
79.05498	45.6
81.03423	60.8
81.07063	95.0
83.04982	19.4
83.08621	23.3
85.02918	9.2
85.06546	5.4
85.10197	13.7
91.05486	51.0
91.06023	3.9
93.07050	51.3
95.04977	18.3
95.08611	67.2
97.02885	18.2
97.06546	11.8
97.10175	15.0
99.04481	5.4
99.08133	4.2
105.04542	2.7
105.07039	35.4
107.04984	7.0
107.08603	36.4
109.02890	10.5
109.06554	7.3
109.10165	57.1
111.04481	12.9
111.08129	5.7
115.05434	2.7
117.07046	21.4
119.04964	3.2
119.08592	28.2
121.06517	7.7
121.10173	19.4
121.63818	1.9
123.08125	4.6
123.11721	12.1
123.55260	2.4
125.09655	8.1
127.03908	12.3
128.06241	2.1
129.05522	6.0
129.06976	11.2
131.08582	23.7
133.06552	4.9
133.10147	22.0
135.08112	6.2
135.11700	13.6
137.09653	5.8
137.13272	2.7
139.11224	2.4
141.07002	2.6
143.08609	7.9
145.06561	4.0
145.10091	14.0
147.08078	3.9
147.11700	18.8
149.09647	4.2
149.13245	11.9
155.08630	6.7
155.10716	3.8
157.10141	9.8
159.08096	2.3
159.11708	16.3
161.09587	2.2
161.13286	6.1
163.11215	3.7
165.12857	2.5
167.08592	3.0
169.10167	7.6
171.10307	3.0
171.11589	9.7
173.09682	2.3
173.11800	9.8
173.13358	8.7
175.11208	4.4
175.14812	2.7
177.12798	7.9
179.14281	2.7
183.11783	6.5
184.07355	4.0
185.13315	6.0
187.11259	2.3
187.14937	2.8
189.11301	9.2
195.11824	4.1
195.13893	6.6
197.13339	4.8
199.14955	3.2
207.17401	3.4
211.11160	2.8
213.12712	2.8
219.13782	2.8
221.13399	2.9
227.12894	7.0
229.14355	19.0
239.23804	9.5
241.19424	2.8
245.13974	2.7
259.20804	2.8
261.15317	2.9
261.22314	3.4
275.20200	4.9
285.22156	3.1
301.21823	6.3
303.15829	2.8
303.23441	7.6
313.27530	9.5
315.23120	2.2
319.22684	2.7
321.16898	3.3
335.25970	4.3
337.27390	5.3
339.18066	10.6
351.23270	3.8
369.24500	6.8
371.17090	2.4
373.18430	2.9
387.25311	3.8
395.20633	13.8
461.29144	2.7
479.30292	2.6
489.35745	4.1
507.40598	9.5
615.38806	3.6
633.40247	8.8
651.44983	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
53.98497	1.5
55.01869	6.0
55.05270	2.5
55.05514	32.5
57.03446	12.4
57.07079	3.6
59.05000	3.1
65.03957	4.9
66.59810	1.9
67.05508	100.0
69.03428	28.6
69.07079	23.0
71.04993	10.0
71.08646	2.1
71.51398	2.8
73.02919	2.7
76.71786	1.9
79.05495	45.8
81.03424	52.0
81.07061	67.6
83.04980	24.9
83.08619	19.6
85.02901	6.5
85.06545	4.3
91.05488	43.4
93.07048	44.5
95.04983	10.0
95.08614	50.2
96.04595	1.6
97.02914	17.2
97.06527	5.6
97.10175	18.1
99.04462	4.4
101.02376	2.0
103.03939	2.3
105.07041	34.6
107.04927	4.7
107.08591	31.0
109.02885	8.5
109.06500	4.1
109.10160	59.0
111.04462	8.1
111.08103	5.5
113.05997	2.0
115.05431	3.7
117.07063	11.3
119.08574	25.7
119.39157	1.7
121.06480	3.8
121.10139	20.8
123.08060	3.9
123.11703	8.2
125.09654	13.7
127.03956	7.4
128.06235	3.3
129.05521	9.3
129.06978	13.6
131.08574	21.1
133.06499	2.9
133.10139	15.0
133.82599	2.0
135.08063	5.5
135.11717	9.1
137.05966	2.5
137.09601	4.6
141.07002	4.6
142.07718	2.1
143.08556	13.0
145.06531	3.1
145.10123	16.7
147.08061	3.6
147.11681	11.5
149.09648	4.2
149.13269	6.2
155.08594	10.0
155.10625	3.3
157.10139	10.3
159.11656	11.1
161.09647	3.4
161.13268	7.6
163.11183	3.5
163.14806	3.0
167.08586	3.6
169.10130	5.2
171.08215	2.9
171.10307	2.5
171.11655	9.6
173.11752	17.1
173.13292	9.3
181.10120	3.7
183.11732	7.9
185.09624	3.7
185.13297	6.4
187.11148	1.9
188.01572	1.8
189.11224	12.8
189.12729	4.6
195.11639	3.0
195.13821	2.4
197.13222	4.5
199.11267	2.2
199.14830	3.2
209.13272	4.1
211.14873	3.3
215.14391	2.0
225.12831	2.3
227.12701	14.6
229.14362	28.9
245.13907	3.7
259.20728	3.2
261.22095	6.3
275.20187	3.2
277.21750	3.5
299.14902	4.2
301.21680	4.9
303.23129	3.9
315.23245	2.1
319.22745	2.5
327.19733	2.4
327.23315	4.2
333.24197	2.1
335.25879	9.5
337.27390	8.5
341.24933	2.5
351.23096	4.2
353.24915	3.5
369.24170	10.5
371.16837	5.9
373.18729	4.4
387.25354	7.4
405.26532	3.2
443.27838	2.8
461.28940	4.5
479.29901	4.7
489.35721	8.2
505.35123	2.3
507.36649	4.5
539.36951	3.7
547.35925	2.3
566.56329	2.1
597.37677	5.1
615.38983	5.8
633.39258	19.2
651.40125	8.9
651.45770	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	650.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05037	0.8
57.01770	0.2
58.06628	0.5
59.07420	0.2
60.08168	6.4
60.34560	0.2
67.05515	0.9
68.05833	0.2
69.07057	0.4
71.07378	3.4
71.51963	0.2
79.05512	0.4
81.03416	0.3
81.07063	0.6
83.08620	0.2
86.09710	31.4
91.05495	0.2
93.07032	0.3
95.08634	0.5
98.98470	3.3
104.10749	2.3
105.07018	0.3
106.07382	0.2
109.10155	0.4
125.00012	20.1
148.38506	0.2
173.39011	0.2
175.03647	0.2
184.07350	100.0
185.07777	0.3
206.36057	0.2
218.39308	0.2
334.85880	0.2
357.22940	0.2
467.36658	0.2
496.34210	0.2
650.44037	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	649.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
53.66804	2.7
55.01867	5.0
55.05517	37.4
57.03440	14.6
57.07091	2.9
59.04972	3.3
59.18369	2.3
61.02923	7.2
65.03924	3.9
67.05511	100.0
69.03428	22.9
69.07077	17.5
71.04972	8.4
73.02908	5.1
79.05500	45.0
81.03419	42.2
81.07064	46.4
83.04975	12.3
83.08629	22.8
85.02889	11.6
85.06538	6.8
91.03957	3.1
91.05486	39.4
93.07043	45.7
95.04960	11.0
95.08604	27.7
97.02907	18.8
97.06525	4.6
97.10187	13.6
98.20702	4.3
99.04453	5.0
105.07040	41.1
107.04957	3.7
107.08580	26.1
109.02870	9.8
109.06525	8.7
109.10162	57.7
111.04437	4.9
115.05470	5.9
117.07027	24.9
119.08592	37.1
121.06542	4.5
121.10133	16.7
123.08051	4.1
123.11699	3.7
125.09630	19.8
127.03909	11.4
128.06201	4.5
129.05478	4.0
129.07004	19.2
130.69809	2.7
131.08571	30.4
133.06480	4.3
133.10135	25.9
135.08084	4.1
135.11702	16.1
141.07008	8.0
142.07741	3.0
143.08578	22.9
144.09302	3.6
145.06435	6.6
145.10141	32.1
147.08000	6.1
147.11717	21.0
149.13200	6.8
155.08553	11.7
155.10654	3.0
157.10185	15.2
159.08099	4.2
159.11723	21.5
161.13223	13.2
167.08534	5.7
168.09433	3.0
169.10168	13.8
171.08107	3.1
171.10258	2.8
171.11658	13.1
173.09557	5.2
173.11737	11.9
173.13295	13.9
175.14891	3.8
179.08484	4.2
181.10042	6.7
183.11674	11.1
185.09618	5.1
185.13306	11.0
187.14871	4.9
189.11212	11.4
193.10083	8.4
195.11740	8.1
195.72035	2.9
197.13293	7.9
199.14977	3.9
207.11687	3.2
209.13300	5.2
211.11124	3.7
211.14839	3.8
215.14240	3.3
227.12814	8.8
228.96951	2.8
229.14363	21.8
235.14665	2.9
241.19395	5.2
245.13832	5.3
257.19043	3.3
257.51843	3.0
259.20609	13.7
261.22092	5.0
271.20483	3.7
273.22165	3.7
283.20615	4.0
299.14871	4.8
299.20071	3.7
301.21783	7.1
308.12601	2.8
325.21701	4.0
327.23099	3.6
333.24445	7.4
335.25763	3.9
349.21582	7.1
367.22754	8.1
369.24097	5.4
371.17105	5.6
373.18582	7.9
375.25189	6.2
376.84344	2.8
378.49283	3.0
385.23462	4.5
395.29660	4.3
441.26483	6.5
487.34253	63.3
541.34784	4.2
571.36371	3.7
583.36353	4.2
591.20508	3.1
595.36096	10.8
613.37390	14.3
631.38538	21.1
649.39551	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	649.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.0
55.01867	7.4
55.05515	31.8
57.03434	15.8
65.03949	8.9
67.05511	69.6
69.03431	23.9
69.07072	19.6
70.12843	13.0
70.42091	3.7
71.04983	6.3
73.06548	4.7
79.05501	98.7
81.03426	47.7
81.07071	69.9
83.04996	23.8
83.08619	10.1
85.02894	13.8
85.06556	4.3
85.33414	3.0
87.89073	3.4
91.05490	100.0
91.58503	3.1
93.07053	94.2
95.04983	41.6
95.08614	44.0
97.02871	11.0
97.06516	10.4
97.10159	6.4
99.04444	7.0
103.05492	7.4
105.04527	6.8
105.07036	76.2
107.04967	15.4
107.08598	29.1
107.48405	3.7
109.02900	5.3
109.06522	14.1
109.10176	6.9
110.02010	3.3
115.05476	11.0
117.07011	24.8
119.08583	42.8
121.06503	11.1
121.10143	11.6
123.08067	11.7
127.03955	8.2
128.06245	12.7
129.07022	39.6
131.08577	22.3
133.06479	8.1
133.10172	17.8
135.08075	7.2
141.06979	8.5
143.08569	27.0
145.06534	11.3
145.10146	22.8
147.08063	7.3
147.11708	40.5
155.08582	6.4
157.06554	6.3
159.08109	9.8
159.11732	8.9
161.09622	8.4
161.13246	20.8
163.11238	5.1
167.08594	6.5
169.10155	7.0
171.08066	8.5
171.11740	40.6
173.04448	8.9
181.10150	4.7
183.08089	3.7
185.09653	5.2
185.13193	4.1
189.12814	20.8
207.13795	38.0
207.80193	3.4
223.14804	4.6
227.14328	3.4
241.15968	7.9
251.14220	10.0
257.15414	4.0
259.16693	4.6
264.42963	3.5
269.15411	12.3
281.17520	73.4
287.16284	19.8
305.17816	4.0
321.97211	3.8
361.20297	5.0
416.04349	3.7
425.21933	8.5
463.01102	4.4
474.94495	3.4
487.30621	44.8
501.31842	4.2
503.08853	3.7
529.32080	5.0
567.33362	10.4
580.11298	3.7
600.66388	3.8
631.34741	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	649.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	17.8
55.01873	6.7
55.05520	25.3
57.03429	11.7
64.81129	3.3
65.03928	5.5
67.05511	81.6
69.03428	22.0
69.07062	12.0
70.90659	6.6
71.05000	5.0
79.05499	95.5
80.30916	3.0
81.03420	31.3
81.07062	54.2
83.04984	19.0
83.08618	11.8
85.02921	15.3
85.06557	5.7
91.05486	100.0
93.07044	77.4
95.04981	38.1
95.08601	31.6
95.17212	3.3
97.02901	14.4
97.06528	6.0
97.19739	3.8
99.04405	3.8
105.04559	5.0
105.07043	61.9
107.04955	15.6
107.08582	21.0
109.02905	8.1
109.06544	10.0
109.10159	6.2
117.07021	28.9
119.08583	39.9
121.06522	8.1
121.10152	6.7
123.04391	4.8
123.08068	5.6
127.03942	8.7
128.06244	10.7
129.07036	31.3
131.04980	4.8
131.08583	14.4
133.06496	5.7
133.10146	20.6
135.02351	3.3
135.08081	4.2
135.11772	4.0
141.06969	5.4
143.08588	21.9
145.06509	8.3
145.10129	14.5
147.08081	5.0
147.11697	42.9
157.10097	6.2
159.08063	4.2
159.11736	3.5
161.09645	8.1
161.13293	14.3
167.08542	5.9
171.08124	5.3
171.11728	36.6
173.04518	6.1
173.13266	4.5
181.10269	3.4
185.09605	5.2
185.13255	3.6
189.12776	17.0
199.14845	4.5
203.14453	4.8
207.13817	47.8
225.93312	3.6
241.15800	8.5
251.14323	4.9
269.15445	11.8
279.15982	5.0
281.17456	58.9
287.16455	12.5
301.58548	3.6
305.17410	4.8
315.15787	4.0
324.97910	3.8
333.16962	3.8
351.18045	4.6
425.22098	5.8
487.30704	32.7
501.32019	5.0
551.29272	3.6
567.32867	8.4
649.36102	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	649.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15645	2.2
51.99477	2.1
53.03952	14.7
55.01862	9.9
55.05270	2.7
55.05517	27.2
57.03437	15.0
59.05004	2.6
60.87576	2.1
64.41808	2.4
65.03930	6.2
67.05510	73.8
67.05872	3.9
69.03433	20.1
69.07072	15.4
70.67288	4.6
70.67659	4.8
71.04997	4.4
77.03914	2.4
79.05501	100.0
81.02990	3.7
81.03426	45.2
81.07064	64.4
83.04988	22.3
83.08624	11.5
85.02921	15.5
85.06549	4.6
91.05486	81.2
93.07050	79.7
95.04976	31.4
95.08064	3.2
95.08624	42.7
97.02898	11.4
97.06524	8.5
97.10195	6.2
99.04449	5.1
103.05459	5.2
105.04506	6.8
105.07038	60.4
107.04974	16.5
107.08595	28.0
107.84451	2.1
109.02889	9.8
109.06513	7.6
109.10172	10.5
111.04425	3.2
111.08064	4.8
115.05460	7.1
117.07030	27.2
119.08590	42.0
121.06541	13.2
121.10133	11.6
123.04431	5.4
123.08079	10.7
125.09707	2.2
127.03938	7.6
128.06229	9.7
128.91705	2.7
129.05466	3.2
129.07005	34.2
131.04932	6.6
131.08607	23.0
133.06497	8.1
133.10150	19.8
135.08057	6.3
135.11697	6.1
137.09608	4.0
141.07033	8.1
142.07808	2.7
143.08586	24.8
145.06480	9.3
145.10135	18.9
147.08060	9.0
147.11682	36.5
149.05956	2.5
149.09619	5.2
153.07008	3.0
155.08572	8.5
156.09276	3.6
157.06483	5.0
157.10170	6.5
159.08047	6.2
159.11694	6.5
161.06001	3.0
161.09657	8.1
161.13232	15.6
161.21088	2.5
163.07510	3.1
163.11179	3.4
167.08562	6.3
168.35959	2.3
169.10205	5.5
171.08015	4.2
171.11708	37.9
173.04431	9.2
173.05887	3.4
173.13269	4.8
177.12793	3.3
179.14339	4.5
181.10133	6.0
183.08084	3.0
183.11714	4.3
185.09647	6.0
185.13269	5.3
187.11101	3.2
189.12743	16.4
191.08372	2.1
191.14407	2.2
193.10184	3.1
195.11769	3.1
197.13245	3.2
207.13786	33.9
209.13426	3.2
213.12892	3.5
221.15370	3.3
223.14952	3.5
225.14882	4.5
233.15408	5.0
241.15831	5.6
249.14981	2.3
251.14340	3.3
259.17059	4.1
269.15344	9.5
272.40964	3.3
281.17496	52.1
287.16388	15.3
315.15991	3.7
333.17148	3.4
343.19135	4.0
361.20264	2.9
425.21960	4.7
487.30472	30.3
501.32224	4.5
567.32892	7.1
605.26227	7.1
613.34338	2.4
631.34943	9.6
649.36499	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.302
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
55.01865	0.5
55.05514	2.3
55.11725	0.5
57.07063	0.9
57.80715	0.4
66.38110	0.4
67.05509	3.4
69.03415	0.6
69.07067	1.6
71.08610	0.5
79.05484	2.6
81.03451	2.1
81.07060	2.7
83.05019	0.5
83.08616	1.1
89.26915	0.5
91.05463	2.1
93.07045	2.9
95.04951	0.8
95.08607	2.0
97.10163	1.4
98.21587	1.0
105.07036	1.7
107.08585	1.8
109.06512	0.6
109.10167	1.3
117.07024	0.8
119.08620	1.3
119.43252	0.4
121.06539	0.5
121.10138	1.3
125.09689	1.0
127.03835	0.8
131.08578	0.9
133.10155	0.7
145.10138	0.6
147.11757	0.7
148.24106	0.4
159.11708	0.6
189.11241	0.7
219.36882	0.5
321.24246	0.5
337.21960	0.4
366.68384	0.4
389.17648	0.7
401.17767	0.6
402.18146	0.6
403.19141	2.0
404.19870	0.6
405.20755	1.0
415.19357	0.7
416.20010	1.5
417.21124	3.3
418.21494	1.0
419.22153	0.9
429.16574	0.9
429.21463	1.2
430.18106	1.4
431.17911	4.4
432.18665	0.8
432.23730	0.8
433.24347	2.2
444.19183	2.5
445.19980	6.4
446.21017	2.0
447.21707	1.7
458.17105	0.8
459.22083	6.0
460.22479	3.9
461.23361	4.5
472.18576	0.5
473.19281	6.2
474.19757	0.7
475.25201	1.5
487.20743	2.9
489.22958	1.4
501.23325	1.2
502.23703	3.0
503.24716	6.1
505.22980	0.6
515.24683	1.5
517.22473	0.5
519.24176	1.6
529.26093	0.5
531.23468	0.8
533.22327	0.8
537.38135	0.6
546.26178	1.0
547.27161	10.8
559.24377	1.0
561.24689	3.7
574.25970	0.5
575.26447	0.7
589.28137	19.1
590.28448	0.9
605.23663	0.8
607.28937	2.4
631.49359	0.6
641.97925	0.5
649.30182	100.0
650.30548	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	647.486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03262	0.5
55.05511	1.0
56.60102	0.5
57.03447	0.8
57.07070	1.8
57.85973	0.5
67.05505	2.4
69.07066	0.7
71.08625	1.9
71.50939	0.8
79.05500	0.9
81.07051	2.3
83.08617	0.7
85.10171	1.1
86.34330	0.6
91.05502	0.7
93.07042	0.9
95.08622	2.5
107.08621	0.6
109.10101	0.5
113.67953	0.5
121.10170	0.6
159.52235	0.6
186.93748	0.6
281.79642	0.6
313.27487	1.2
335.22012	7.4
336.22409	0.8
356.23721	0.6
391.24496	4.5
520.81384	0.7
535.42847	2.0
647.48602	100.0
648.49109	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	645.473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73358	2.4
53.03945	7.7
55.01880	14.8
55.05280	3.9
55.05520	58.0
56.58086	2.3
57.03437	10.2
57.07069	9.2
65.03939	4.6
67.05511	100.0
68.05834	2.3
69.03434	6.6
69.06725	3.5
69.07071	35.2
69.81253	14.7
71.04989	6.5
71.08632	16.3
79.05499	63.8
81.03424	5.4
81.07062	78.5
82.07417	3.2
83.04986	6.6
83.08633	26.5
85.06538	5.2
89.06075	3.8
91.05489	52.2
93.06482	4.5
93.07048	57.8
94.07407	2.8
95.04985	14.9
95.08614	55.8
97.06515	11.1
97.10176	35.3
99.08077	12.3
101.55006	2.6
105.06329	2.6
105.07043	52.4
107.04937	5.2
107.08604	40.2
109.06510	9.4
109.10164	30.6
111.08096	7.6
115.05404	3.5
117.07030	25.4
119.08589	33.0
120.08897	3.0
121.06512	5.9
121.10158	20.2
123.08064	5.4
123.11730	12.5
125.09637	22.6
127.11120	2.6
128.06235	5.3
129.06995	17.0
131.08580	35.3
133.10136	25.8
135.08073	11.2
135.11710	15.4
137.09625	3.8
137.13322	3.3
141.06993	2.9
143.08560	13.0
145.06487	2.5
145.10155	20.6
147.11650	11.8
149.09610	5.3
149.13248	7.0
151.11159	6.0
155.08540	6.7
157.10120	11.2
159.08101	3.7
159.11684	12.8
161.13252	14.0
163.11241	5.1
163.14850	4.3
167.14203	2.5
169.10146	7.9
171.11699	9.1
173.11772	4.1
173.13242	9.4
175.14822	8.9
177.12784	4.9
177.16350	3.6
179.14270	4.9
181.10136	4.5
181.12236	3.4
183.11696	5.4
185.13269	8.3
187.14812	9.0
189.11214	15.6
189.12715	4.4
189.16391	5.7
195.11685	3.6
197.13275	7.7
199.14859	9.0
215.17850	4.4
217.19604	3.5
227.12807	21.3
227.17906	3.0
229.14401	4.2
231.21132	6.3
243.15939	2.8
243.21126	5.7
245.13690	3.3
257.22675	3.0
259.20538	4.2
261.22119	7.8
273.18442	7.1
275.20062	4.3
277.21790	11.4
291.19711	12.8
292.19849	5.4
293.21100	42.2
299.23926	2.5
301.25180	7.3
335.25790	12.6
337.27310	4.9
349.23782	3.0
351.25333	4.0
365.23242	3.5
367.24759	8.4
367.29636	2.8
383.33044	10.1
399.32611	5.1
421.31006	3.1
471.34613	4.3
513.35663	10.9
517.39569	4.2
527.37286	14.2
529.38702	3.4
531.36658	4.3
535.41437	8.5
545.38379	7.2
553.42554	4.4
566.86932	2.9
609.45105	13.7
627.46112	90.5
628.46301	4.0
645.47119	33.3
658.89642	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	645.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01884	10.9
55.05269	2.2
55.05518	30.8
57.03444	30.7
57.07070	4.7
59.04997	1.4
65.03922	7.2
67.05512	100.0
69.03426	3.8
69.07067	24.8
69.81190	7.8
71.05000	3.6
71.08638	11.3
79.05501	58.1
81.03429	8.1
81.07065	79.4
82.07450	1.4
83.04977	7.8
83.08625	16.4
85.06563	12.6
88.36858	1.3
89.06045	1.4
91.05494	49.3
93.07055	55.1
95.04975	56.3
95.08617	49.5
97.06549	10.4
97.10173	11.6
98.00613	1.3
99.08096	12.5
103.05480	2.2
105.04537	2.0
105.06315	1.8
105.07038	37.6
107.04970	14.2
107.08605	36.7
109.06529	65.3
109.10178	17.1
111.08104	4.9
113.06017	31.2
113.09674	1.7
114.22399	1.2
115.05457	3.9
117.07034	16.1
119.04976	1.4
119.08597	23.9
121.06556	7.2
121.10154	16.9
123.08115	3.8
123.11711	5.7
125.09661	4.5
128.06274	2.6
129.07034	9.7
131.08586	26.2
133.06516	2.8
133.10144	18.3
135.08073	45.8
135.11697	17.1
137.06000	2.3
137.09601	3.1
137.13330	1.5
139.11119	1.5
141.06963	2.3
142.07806	2.8
143.08563	10.7
145.10152	15.0
147.08072	4.6
147.11725	9.3
149.09654	5.2
149.13223	6.5
151.11162	6.8
157.10156	10.1
159.08070	2.0
159.11687	8.6
161.09641	7.6
161.13268	6.9
163.11197	5.3
165.12796	2.2
169.10121	2.7
171.11687	6.5
173.09644	1.5
173.13295	4.5
175.11203	3.7
175.14838	2.1
177.12776	4.0
178.83859	1.3
179.14331	20.7
181.10089	1.7
183.11681	2.7
185.13289	4.5
187.11206	1.8
187.14821	1.7
189.11194	2.9
189.12762	2.1
194.85538	1.3
195.11714	2.3
195.13812	3.0
199.14804	3.9
201.16396	1.9
213.16333	1.5
217.15868	13.0
227.12810	4.5
227.17978	3.0
233.15439	2.3
235.17102	1.8
241.19470	3.2
245.19121	2.4
245.22714	1.8
259.20718	2.3
263.23831	2.0
273.18521	33.2
275.20059	2.9
277.21692	20.4
291.19583	91.6
292.19818	2.5
293.21075	6.4
335.25830	2.6
337.27411	38.9
347.22067	6.6
351.25330	12.2
353.05832	1.4
365.23227	9.7
399.32446	1.7
400.61621	1.4
435.30762	1.5
471.35233	1.6
489.35394	1.5
527.37500	3.9
530.96741	1.4
531.36523	1.5
545.38080	5.3
569.42438	1.9
609.45459	6.4
627.46289	42.1
645.47168	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	645.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01875	9.5
55.05516	21.7
57.03439	18.4
57.07062	4.9
61.43527	1.4
65.03937	5.6
67.05507	80.1
68.26115	1.3
69.03407	2.4
69.06724	2.5
69.07070	26.1
70.47979	1.5
71.05001	3.8
71.08609	1.6
75.37492	1.4
75.53097	1.4
79.05076	2.7
79.05499	39.3
81.03387	2.6
81.07062	59.9
82.07383	1.4
83.04980	3.9
83.08629	15.0
85.06550	10.2
87.04468	1.7
91.05486	32.7
93.06488	2.3
93.07047	36.8
95.04379	2.5
95.04972	43.7
95.08610	40.5
97.06528	6.5
97.10157	5.4
99.08078	2.3
105.07034	21.5
107.04982	10.2
107.08599	27.1
109.06524	55.2
109.10162	16.4
111.08078	4.6
113.00016	3.2
113.06013	26.5
115.05511	1.5
117.07014	11.7
119.08585	12.0
121.06485	5.0
121.10136	11.2
123.08086	3.6
123.11674	6.4
125.09588	2.7
128.06209	3.8
129.07037	9.1
131.08575	19.2
133.06468	4.0
133.10123	11.5
135.08060	47.1
135.11684	13.8
143.08553	7.8
145.10135	13.1
147.08038	6.7
147.11696	5.5
147.16092	1.6
149.09598	6.4
149.13278	8.1
151.11198	4.1
157.10100	5.9
159.08096	2.5
159.11725	8.1
161.09683	9.3
161.13225	2.8
163.11179	5.3
169.10153	1.8
171.11681	3.3
173.09622	2.4
173.13254	4.2
175.11182	2.9
175.14720	1.6
177.12715	4.5
182.62900	1.3
187.11169	2.7
195.11690	3.1
195.13733	3.3
199.14857	3.7
201.12643	1.6
217.14507	1.2
217.15941	14.0
227.12703	1.5
227.17987	2.4
229.54886	2.2
245.19058	3.3
253.14337	3.7
255.17525	2.7
263.23596	2.1
273.18524	38.3
274.18961	1.5
275.20383	2.0
289.17825	1.6
291.19556	100.0
292.19800	2.7
309.20633	1.6
309.39792	1.8
337.27371	47.6
347.22177	5.4
361.79227	1.8
365.23294	11.8
533.42072	24.3
592.17487	1.6
609.44580	5.2
627.46234	30.2
645.46973	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	645.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05521	10.4
57.03431	2.1
67.05497	6.3
69.03421	5.7
69.07076	8.6
70.06601	3.0
71.04982	1.7
71.09912	4.1
79.05509	5.8
81.03416	4.7
81.07058	8.9
83.08628	4.0
85.02911	6.0
91.05470	14.5
93.07040	9.8
95.04967	5.2
95.08624	17.0
97.02905	4.8
103.05467	2.5
105.07035	21.0
107.04984	1.8
107.08607	19.6
109.02905	2.5
109.06551	2.6
109.10160	12.7
115.05466	2.5
117.07022	4.1
119.04958	5.6
119.07717	1.7
119.08588	44.0
121.06547	5.0
121.10156	18.0
123.04436	58.9
123.11712	3.9
127.03942	3.0
131.08565	4.8
133.10136	22.9
135.04448	5.2
135.08099	3.6
135.11710	6.8
137.06003	3.5
137.13277	3.6
139.03909	17.5
143.04910	1.6
145.10129	3.1
147.04433	26.5
147.08058	2.0
147.11688	4.3
149.06056	4.3
149.13266	19.3
151.03915	21.7
153.05476	4.0
155.08607	1.8
157.10127	4.2
159.11729	2.5
161.05994	9.3
162.14020	2.3
163.03951	7.1
163.07501	9.4
165.05479	25.8
167.07054	8.8
169.10118	5.3
171.11769	5.8
173.06062	3.6
175.07629	2.4
175.14854	48.2
177.05496	8.7
179.07043	6.1
181.05074	4.0
183.11746	2.3
187.07574	7.6
189.05531	9.4
189.09157	3.3
191.07024	14.4
193.04945	2.4
193.08635	5.6
196.43349	1.5
201.09146	2.7
203.05260	1.8
203.06999	2.3
205.08653	20.9
207.06651	5.5
209.08342	1.8
211.11240	1.7
215.07117	2.8
217.08653	4.7
217.15910	4.2
219.10139	8.8
225.09361	2.1
229.08640	4.0
231.10254	9.8
239.10892	3.1
243.10162	9.2
245.11812	3.5
255.13948	2.5
257.11758	25.1
259.13321	3.1
271.10361	1.8
271.13416	5.3
273.07657	2.8
287.13126	1.9
291.08667	5.3
295.16986	7.5
303.08572	14.7
313.17990	80.0
317.10278	3.4
331.19177	2.6
341.10306	5.7
343.11929	5.3
351.37866	1.9
357.13354	11.6
365.10806	3.1
367.90204	1.8
383.14810	2.1
409.16479	9.8
465.22803	64.0
483.22086	29.0
645.27283	100.0
646.27045	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.2
61.02919	1.8
63.16176	1.3
65.03931	2.4
67.05503	4.0
69.03421	4.1
69.07070	13.6
70.06590	2.9
71.04988	6.6
71.50561	1.7
72.08123	2.0
75.68990	1.3
79.05477	6.0
81.03394	3.2
81.07063	13.8
83.08614	4.0
85.02908	6.5
91.05486	15.8
91.31235	1.6
93.07060	7.3
95.04952	2.4
95.08603	12.1
97.02874	3.5
104.02776	1.3
105.07040	26.7
107.04944	1.5
107.08598	19.5
109.10168	5.1
111.04504	1.7
117.07019	5.9
119.04976	1.4
119.08589	100.0
121.06474	2.5
121.10118	11.0
123.04436	22.3
123.11684	1.5
127.03913	5.8
129.07005	1.8
131.08580	2.0
133.10143	29.8
135.04411	4.0
135.08025	1.7
135.11681	1.7
136.73691	1.4
137.05960	4.0
139.03918	26.8
145.05008	2.8
145.10120	2.7
147.04391	7.3
147.11681	6.1
149.13257	6.4
151.03955	11.0
153.05470	2.5
159.11758	1.8
161.06013	3.3
163.03891	4.1
163.07552	2.4
165.05505	10.7
167.07040	4.8
173.13182	2.4
175.07492	2.2
175.14841	79.1
177.05466	2.7
182.28711	1.5
189.05464	3.5
189.09119	2.2
191.03413	1.7
191.07054	9.0
193.08597	1.8
203.07094	2.0
205.08595	3.4
207.06546	2.4
209.62578	1.4
215.09198	2.9
219.10202	5.8
233.10216	2.0
250.79166	1.5
257.11740	3.9
271.13165	1.4
273.07544	2.5
291.08615	9.3
303.08932	1.7
313.17984	25.6
317.10141	2.8
343.11859	5.3
450.05569	1.4
465.22571	8.9
606.94019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03949	1.1
55.01864	2.4
55.05496	1.9
57.03434	1.5
57.07079	0.7
59.84481	0.6
61.02906	2.2
65.03934	0.6
65.16000	0.6
67.05502	3.9
68.99773	0.6
69.03082	1.2
69.03431	13.2
69.07063	4.1
70.70706	1.7
71.04993	1.0
73.02915	1.2
79.05492	5.0
81.03425	3.8
81.07055	7.4
83.04962	1.8
83.08615	1.3
83.63105	0.6
85.02908	13.7
87.04437	0.5
91.05480	6.9
93.07043	8.0
95.01321	1.0
95.04972	3.4
95.08606	9.5
97.02901	6.2
97.10242	0.9
98.21481	0.7
99.04446	1.1
103.05479	0.8
105.03365	0.9
105.04505	0.7
105.07021	8.2
107.04937	2.3
107.08593	10.0
109.02901	2.8
109.06528	1.5
109.10168	5.1
110.96210	0.8
111.04420	1.6
111.08067	0.7
115.05430	0.7
117.07016	1.4
119.04957	6.1
119.08587	13.9
121.06491	6.6
121.10155	8.9
123.04433	59.0
123.07995	1.0
123.11723	3.9
125.02480	0.6
127.03936	3.1
131.04918	1.3
131.08560	2.1
133.06461	1.2
133.10141	24.5
135.04475	3.1
135.05313	0.6
135.08066	1.6
135.11710	9.0
137.02267	0.7
137.05971	4.2
137.09615	1.3
137.13234	2.3
139.03909	8.5
139.11186	2.0
141.05473	1.5
143.04938	1.4
145.04991	1.4
145.06505	1.4
145.10143	1.0
147.04417	22.1
147.08075	1.0
147.11726	3.3
147.12718	0.6
149.05984	4.8
149.13260	6.0
151.03900	10.7
151.07568	1.3
153.05482	4.8
158.08949	0.6
161.05981	7.0
161.09612	0.7
163.03909	2.6
163.07516	3.4
165.05479	100.0
166.05833	1.1
167.07031	3.6
169.04988	0.6
169.10118	0.7
173.06024	1.5
173.13300	3.1
175.07536	3.2
175.14832	32.7
177.05484	13.1
179.07034	7.9
181.04950	1.6
187.07529	1.4
187.14819	0.8
189.05457	9.2
189.09100	0.9
190.99831	0.7
191.07045	15.2
193.04965	0.8
193.08614	20.6
193.15889	3.5
195.06546	2.6
201.05420	1.4
203.07063	3.7
205.08641	2.5
207.06525	9.8
209.08133	1.0
215.07123	1.2
217.08607	1.7
217.15868	0.7
219.06587	1.5
219.10228	2.7
221.08151	0.9
229.08672	1.0
231.06607	3.2
233.11761	1.4
243.06494	0.7
243.10176	1.2
249.07666	1.0
256.75400	0.7
257.11661	3.4
261.07712	0.8
271.13089	1.0
273.07544	2.5
285.07397	1.0
291.08710	1.2
295.16815	1.5
299.09146	3.4
303.08630	6.1
309.09625	3.1
313.17963	24.6
316.05530	0.7
317.10190	62.1
325.10516	1.1
325.18027	0.7
329.10132	2.7
331.19043	27.2
332.19095	0.7
341.10129	3.9
343.11752	7.3
343.18793	1.2
345.13605	0.6
355.18991	1.2
373.20111	1.3
397.20374	0.8
447.21884	1.2
457.22079	1.5
461.14316	1.2
465.22800	11.2
472.22281	0.8
475.23541	5.0
483.23865	15.0
493.24255	3.9
645.30585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05521	10.4
57.03431	2.1
67.05497	6.3
69.03421	5.7
69.07076	8.6
70.06601	3.0
71.04982	1.7
71.09912	4.1
79.05509	5.8
81.03416	4.7
81.07058	8.9
83.08628	4.0
85.02911	6.0
91.05470	14.5
93.07040	9.8
95.04967	5.2
95.08624	17.0
97.02905	4.8
103.05467	2.5
105.07035	21.0
107.04984	1.8
107.08607	19.6
109.02905	2.5
109.06551	2.6
109.10160	12.7
115.05466	2.5
117.07022	4.1
119.04958	5.6
119.07717	1.7
119.08588	44.0
121.06547	5.0
121.10156	18.0
123.04436	58.9
123.11712	3.9
127.03942	3.0
131.08565	4.8
133.10136	22.9
135.04448	5.2
135.08099	3.6
135.11710	6.8
137.06003	3.5
137.13277	3.6
139.03909	17.5
143.04910	1.6
145.10129	3.1
147.04433	26.5
147.08058	2.0
147.11688	4.3
149.06056	4.3
149.13266	19.3
151.03915	21.7
153.05476	4.0
155.08607	1.8
157.10127	4.2
159.11729	2.5
161.05994	9.3
162.14020	2.3
163.03951	7.1
163.07501	9.4
165.05479	25.8
167.07054	8.8
169.10118	5.3
171.11769	5.8
173.06062	3.6
175.07629	2.4
175.14854	48.2
177.05496	8.7
179.07043	6.1
181.05074	4.0
183.11746	2.3
187.07574	7.6
189.05531	9.4
189.09157	3.3
191.07024	14.4
193.04945	2.4
193.08635	5.6
196.43349	1.5
201.09146	2.7
203.05260	1.8
203.06999	2.3
205.08653	20.9
207.06651	5.5
209.08342	1.8
211.11240	1.7
215.07117	2.8
217.08653	4.7
217.15910	4.2
219.10139	8.8
225.09361	2.1
229.08640	4.0
231.10254	9.8
239.10892	3.1
243.10162	9.2
245.11812	3.5
255.13948	2.5
257.11758	25.1
259.13321	3.1
271.10361	1.8
271.13416	5.3
273.07657	2.8
287.13126	1.9
291.08667	5.3
295.16986	7.5
303.08572	14.7
313.17990	80.0
317.10278	3.4
331.19177	2.6
341.10306	5.7
343.11929	5.3
351.37866	1.9
357.13354	11.6
365.10806	3.1
367.90204	1.8
383.14810	2.1
409.16479	9.8
465.22803	64.0
483.22086	29.0
645.27283	100.0
646.27045	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03936	2.2
55.01867	2.8
55.05498	4.3
57.03433	2.3
57.07081	2.0
65.03936	2.4
67.05492	6.8
69.03430	17.4
69.07056	7.0
69.36198	1.8
69.36604	10.9
70.06570	2.6
71.01359	1.6
71.04967	1.6
75.07372	1.3
77.03932	1.7
79.05476	5.4
81.03412	4.5
81.07048	10.2
83.04963	2.7
83.91608	1.6
85.02907	16.2
85.06491	1.7
91.05492	11.3
92.27618	1.7
93.07064	9.4
95.04979	3.8
95.08607	16.6
97.02875	4.6
103.05502	1.8
105.07043	13.3
105.80910	1.5
107.04940	3.4
107.08599	14.8
109.02847	2.7
109.06549	2.9
109.10170	13.4
110.89819	1.5
111.04425	4.1
117.07024	1.9
119.04923	6.3
119.08593	21.8
121.02808	4.2
121.06528	7.7
121.10148	13.9
123.04434	95.2
123.11702	5.2
127.03900	4.4
129.07040	2.3
131.04861	1.6
131.08551	4.2
133.10141	31.0
133.57254	1.5
135.04399	6.4
135.08057	4.3
135.11717	12.7
137.02315	1.7
137.06009	7.2
137.09596	4.2
137.13226	3.8
139.03911	43.4
141.05470	2.3
145.04979	2.4
145.06458	2.4
145.10092	2.6
147.04405	22.7
147.11674	2.4
149.04932	1.5
149.05969	9.7
149.13242	9.0
151.03912	22.6
153.05478	8.1
161.05928	7.1
163.03922	7.8
163.07544	10.7
165.05479	100.0
167.07065	4.2
173.06023	4.5
173.13237	4.9
175.07550	4.8
175.14835	50.4
177.05469	25.9
179.06996	8.0
181.05029	2.7
187.07549	4.5
189.05493	16.1
191.07033	60.7
193.04942	2.1
193.08607	15.5
193.15884	9.8
201.05481	6.6
201.09064	2.4
203.07037	4.7
205.08575	5.5
207.06476	8.2
215.06970	2.3
217.08508	4.1
217.15826	2.6
219.10136	4.4
229.08549	2.3
231.06503	1.9
231.10159	2.4
233.11732	3.3
239.07187	1.8
243.10236	4.9
257.11758	5.8
271.13245	2.5
273.07599	8.4
285.07474	4.4
291.08517	2.3
299.09048	16.2
303.08560	6.6
311.09106	3.6
313.18011	50.0
314.18097	1.7
317.10214	42.8
323.09082	4.5
325.10742	14.8
329.10428	3.5
331.19049	43.2
341.10150	6.2
343.11682	4.7
343.61011	1.5
355.11661	4.5
383.14954	2.2
411.12515	1.5
443.12741	1.6
447.21588	14.5
461.14075	3.3
465.22794	25.8
475.23090	4.6
483.23877	3.6
597.09296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20976	1.2
51.02374	2.0
51.82007	1.2
53.03927	3.1
55.01873	1.7
55.05501	2.9
57.03440	2.3
57.07051	1.4
61.02918	2.3
61.88993	1.2
65.03934	1.5
65.10026	1.2
67.05495	5.7
67.78863	1.4
68.99789	2.5
69.03436	13.9
69.07050	5.9
69.07382	1.2
70.03349	2.7
70.03752	4.5
79.05485	3.3
81.03400	4.0
81.07053	9.2
83.04983	1.5
83.08645	1.4
85.02905	17.5
86.16424	1.4
91.05464	8.1
93.07049	8.0
95.04984	3.6
95.08617	13.1
97.02891	5.5
98.21439	1.7
105.07046	8.3
107.04938	3.5
107.08611	11.1
109.02885	3.6
109.06558	1.3
109.10150	8.3
111.04429	3.3
115.05466	1.4
117.06995	2.4
119.04974	7.1
119.08587	21.0
121.02863	4.5
121.06502	7.8
121.10149	8.0
123.04436	72.6
123.08083	1.3
123.11693	4.7
127.03094	1.4
127.03945	3.3
131.08606	2.1
133.06511	1.9
133.10135	30.4
135.04405	3.3
135.07970	2.7
135.11699	10.7
137.05971	5.0
137.09578	3.3
137.13263	2.1
139.03911	13.5
141.05479	1.3
143.04872	2.1
145.04918	1.5
145.06496	2.2
145.10181	2.5
147.04416	25.9
147.11656	5.3
149.05992	10.5
149.13264	4.6
151.03905	12.9
151.07568	1.8
153.05533	7.5
153.06911	1.3
161.06023	6.9
163.03920	4.6
163.07591	7.5
165.05482	100.0
167.07021	4.7
171.24731	1.5
173.06001	2.6
173.13255	3.7
175.07501	4.0
175.14836	48.0
177.05466	21.5
178.03008	1.3
179.07048	7.1
187.47646	1.2
189.05460	13.3
191.07034	36.8
193.08595	13.6
193.15875	9.6
195.06471	2.5
201.05534	2.0
201.09096	1.4
203.07048	4.7
205.08632	4.7
207.06522	9.1
217.08705	2.1
219.10144	3.0
229.08710	2.6
231.06519	4.5
231.10112	2.3
233.11826	2.3
243.06619	1.5
249.97154	1.3
257.11743	3.8
269.08447	1.4
271.13290	1.6
273.07507	3.3
285.07559	4.8
299.09256	9.5
303.08643	3.5
309.09744	1.9
313.17987	24.2
316.86282	1.4
317.10196	56.5
325.10620	9.5
329.10220	4.7
331.19058	27.6
341.10175	7.1
343.11771	4.7
355.19208	1.9
447.21530	8.0
461.14319	4.4
465.22714	14.6
475.23456	2.1
483.23428	6.2
493.24146	1.4
606.00433	1.5
645.22919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03936	2.2
55.01867	2.8
55.05498	4.3
57.03433	2.3
57.07081	2.0
65.03936	2.4
67.05492	6.8
69.03430	17.4
69.07056	7.0
69.36198	1.8
69.36604	10.9
70.06570	2.6
71.01359	1.6
71.04967	1.6
75.07372	1.3
77.03932	1.7
79.05476	5.4
81.03412	4.5
81.07048	10.2
83.04963	2.7
83.91608	1.6
85.02907	16.2
85.06491	1.7
91.05492	11.3
92.27618	1.7
93.07064	9.4
95.04979	3.8
95.08607	16.6
97.02875	4.6
103.05502	1.8
105.07043	13.3
105.80910	1.5
107.04940	3.4
107.08599	14.8
109.02847	2.7
109.06549	2.9
109.10170	13.4
110.89819	1.5
111.04425	4.1
117.07024	1.9
119.04923	6.3
119.08593	21.8
121.02808	4.2
121.06528	7.7
121.10148	13.9
123.04434	95.2
123.11702	5.2
127.03900	4.4
129.07040	2.3
131.04861	1.6
131.08551	4.2
133.10141	31.0
133.57254	1.5
135.04399	6.4
135.08057	4.3
135.11717	12.7
137.02315	1.7
137.06009	7.2
137.09596	4.2
137.13226	3.8
139.03911	43.4
141.05470	2.3
145.04979	2.4
145.06458	2.4
145.10092	2.6
147.04405	22.7
147.11674	2.4
149.04932	1.5
149.05969	9.7
149.13242	9.0
151.03912	22.6
153.05478	8.1
161.05928	7.1
163.03922	7.8
163.07544	10.7
165.05479	100.0
167.07065	4.2
173.06023	4.5
173.13237	4.9
175.07550	4.8
175.14835	50.4
177.05469	25.9
179.06996	8.0
181.05029	2.7
187.07549	4.5
189.05493	16.1
191.07033	60.7
193.04942	2.1
193.08607	15.5
193.15884	9.8
201.05481	6.6
201.09064	2.4
203.07037	4.7
205.08575	5.5
207.06476	8.2
215.06970	2.3
217.08508	4.1
217.15826	2.6
219.10136	4.4
229.08549	2.3
231.06503	1.9
231.10159	2.4
233.11732	3.3
239.07187	1.8
243.10236	4.9
257.11758	5.8
271.13245	2.5
273.07599	8.4
285.07474	4.4
291.08517	2.3
299.09048	16.2
303.08560	6.6
311.09106	3.6
313.18011	50.0
314.18097	1.7
317.10214	42.8
323.09082	4.5
325.10742	14.8
329.10428	3.5
331.19049	43.2
341.10150	6.2
343.11682	4.7
343.61011	1.5
355.11661	4.5
383.14954	2.2
411.12515	1.5
443.12741	1.6
447.21588	14.5
461.14075	3.3
465.22794	25.8
475.23090	4.6
483.23877	3.6
597.09296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01865	0.5
55.05507	0.4
65.03937	1.0
67.05522	0.7
69.03439	0.4
71.51182	0.5
74.06493	0.3
74.93439	0.3
75.04469	0.4
78.04716	1.4
79.05499	3.0
81.03395	0.6
81.07060	0.5
85.02898	0.5
91.05484	4.7
93.03400	1.8
93.07034	1.6
95.04956	1.3
96.97919	0.3
97.06525	0.6
103.05470	2.8
104.78387	0.3
105.03388	0.4
105.07038	9.8
106.04176	4.1
107.05000	2.0
107.08563	0.4
108.56133	0.3
109.02871	0.6
109.06514	0.4
110.74828	0.3
115.05448	1.6
118.04153	2.2
119.04963	3.6
119.08572	0.4
121.06516	4.2
122.03630	0.4
123.04432	4.3
124.05233	1.9
125.05986	1.2
131.04944	1.4
133.02852	2.6
133.06502	11.3
134.03604	0.4
135.04399	0.9
135.08051	0.6
137.05998	5.1
139.03922	0.6
143.06029	0.6
147.04419	3.8
147.08011	0.5
149.05986	7.7
150.06731	1.0
151.03932	1.0
151.07539	2.2
152.04726	1.2
153.09093	1.7
161.05991	21.0
163.07559	0.8
164.85187	0.3
165.05496	0.9
165.09114	2.1
167.07045	100.0
168.07410	1.4
177.05495	4.1
177.09091	1.0
179.07016	1.6
181.04962	0.4
181.08604	3.3
184.07411	0.4
187.07585	0.5
188.84146	0.4
191.07045	1.3
192.07616	0.5
193.08615	39.7
194.09206	0.9
195.10182	0.6
197.88603	0.4
205.08693	0.8
207.00804	0.3
209.08093	11.5
210.08543	0.5
211.09666	12.8
237.11307	0.6
295.09610	0.5
365.85165	0.4
371.14883	0.4
533.22754	0.4
595.28815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75303	1.0
51.02370	1.3
53.03936	2.5
55.01868	1.8
55.05507	1.0
58.92015	1.2
59.30249	0.9
62.67931	1.1
65.03934	3.0
67.05488	1.9
67.21494	1.1
69.07066	1.6
70.06572	1.5
71.04978	0.9
71.51167	1.1
79.05479	4.4
81.03398	1.3
81.07046	2.4
85.02913	1.9
90.90810	1.4
91.05481	17.0
93.03418	1.3
93.07040	4.5
94.04191	2.4
95.04963	4.3
102.57121	1.1
103.05471	9.1
105.03423	2.0
105.04476	1.6
105.07031	19.8
106.04173	1.3
107.04952	10.9
107.08630	1.8
109.02896	1.3
109.06487	2.5
109.10166	1.2
115.05470	4.6
117.06992	2.2
118.04165	4.8
119.04949	11.2
119.08578	1.4
121.06500	9.1
122.03654	3.9
123.04422	3.6
124.05216	2.3
128.06198	1.3
129.07005	1.9
131.04919	6.6
132.05708	3.2
133.06497	21.8
135.04422	2.5
135.08022	2.3
137.05978	96.2
139.03905	1.6
145.06436	2.3
147.04411	8.1
147.08055	3.8
148.05170	1.9
149.05965	8.2
150.06731	2.3
151.03850	1.9
151.07513	7.9
159.04515	1.3
159.08015	2.9
160.05173	1.9
161.05981	100.0
163.03934	5.0
163.07530	7.6
164.04533	1.2
165.05463	2.5
165.06923	1.5
165.09123	3.4
167.07039	33.8
167.08429	1.5
168.07378	1.8
173.05925	1.3
175.07552	9.3
177.05528	5.8
178.07825	1.7
179.07060	11.3
179.08530	2.3
180.07808	3.4
180.16830	1.2
181.05020	2.0
181.06525	1.8
181.08566	7.4
187.07530	27.9
188.15295	1.1
191.07021	15.4
192.07776	3.8
193.08607	42.8
194.07321	1.4
194.09302	1.3
195.06419	1.9
195.08072	3.5
195.10118	1.3
196.08740	1.3
197.05920	1.0
200.73509	1.0
205.06747	2.1
205.08591	51.6
206.07176	1.4
207.06468	1.7
207.08154	2.0
209.08055	12.2
209.09698	1.4
217.08612	10.7
221.06148	1.2
223.07553	2.2
224.08257	2.2
235.07556	2.0
235.09680	3.0
240.07939	1.9
249.09230	2.1
251.06898	2.0
252.07794	2.5
255.10156	2.1
263.06982	1.3
265.08737	1.4
266.09567	1.2
267.10117	2.2
268.07141	1.2
277.08337	1.8
280.07184	1.4
281.11713	2.4
283.09521	3.1
294.08981	2.0
295.09668	9.8
297.11218	1.3
309.11240	4.5
315.12274	10.5
327.12286	13.4
341.13831	15.0
345.13342	18.2
353.14017	5.7
359.15024	5.9
369.13052	1.2
371.14941	9.5
389.15881	3.9
418.15793	2.4
472.25635	1.1
644.37305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03948	0.5
55.01867	1.0
55.05511	0.6
57.03421	0.4
62.06103	0.3
65.03930	0.7
67.05496	0.9
69.07061	1.0
75.04477	0.4
78.04715	1.8
79.05499	2.2
81.03406	0.7
81.07049	1.2
85.02922	1.0
86.39011	0.3
89.03927	0.3
91.05488	5.5
93.03387	1.6
93.07055	1.4
94.04218	0.4
95.04967	1.4
97.06529	1.2
97.10175	0.4
98.21487	0.8
103.05484	3.0
105.04548	0.4
105.07038	9.4
106.04192	4.5
107.04977	1.9
107.08640	0.4
109.02838	0.5
109.06538	0.7
109.10140	0.5
109.36938	0.3
115.05474	1.9
117.07023	0.4
118.04173	3.0
119.04962	3.4
119.08595	0.5
120.05729	0.4
121.06519	5.6
122.03656	0.6
123.04436	4.0
124.05241	2.3
125.05995	1.2
126.89194	0.3
131.04927	1.6
133.02832	1.8
133.06505	10.9
133.10165	0.5
134.03622	1.0
135.04428	0.9
135.08055	1.0
137.05997	6.3
139.03896	0.4
139.07544	0.5
143.06049	0.6
145.06494	0.3
147.04436	4.4
147.08163	0.5
148.05173	0.7
149.05984	7.7
150.06721	1.3
151.03905	0.8
151.07549	2.1
152.04703	1.1
153.09131	1.4
161.00014	0.3
161.05994	22.1
163.03914	0.5
163.07587	1.0
165.05496	0.9
165.09146	2.4
167.07051	100.0
168.07410	1.3
174.06683	0.3
177.05498	4.1
177.09128	1.1
179.07103	2.4
181.05022	0.4
181.08595	3.2
184.96690	0.3
187.07542	0.9
191.07004	1.5
193.08620	39.2
194.09175	1.0
195.10155	0.3
205.08640	1.3
209.08116	12.2
210.08603	0.5
211.09654	12.2
219.10187	0.4
247.96738	0.3
294.47745	0.3
315.12265	0.4
327.12347	0.6
341.13907	0.5
345.13321	0.7
353.14099	0.3
359.15060	0.8
371.14838	0.5
400.25507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60202	0.3
51.02395	0.3
53.03944	0.8
55.01864	1.0
56.30911	0.3
57.03439	0.5
60.17767	0.3
62.06085	0.6
65.03930	0.5
65.89332	0.2
67.05502	0.3
70.29612	0.3
70.75918	0.7
77.03922	0.3
79.05499	3.9
81.03408	0.7
84.32455	0.3
85.02901	1.1
91.05488	4.6
93.03419	0.7
93.07047	1.0
95.04973	1.2
97.02957	0.4
97.06521	0.5
103.05475	4.2
105.03415	0.4
105.07037	15.0
106.04211	1.4
107.04962	4.1
108.05722	1.0
109.02873	0.3
109.06517	1.2
111.87177	0.3
115.05452	0.9
117.07011	0.7
118.04165	5.1
119.04335	0.2
119.04976	2.4
120.05714	1.2
121.06502	3.7
122.07278	0.9
123.04428	0.8
123.08079	1.3
124.05212	1.3
124.67182	0.4
125.05999	0.9
131.04915	1.0
132.05717	0.7
133.06499	14.4
134.07272	0.6
135.04424	2.0
135.08069	3.5
137.05974	5.1
146.03635	0.8
147.04427	1.2
148.05197	1.0
149.04803	0.4
149.05989	5.9
150.06770	9.8
151.01891	0.3
151.07558	3.7
153.05569	0.3
153.09108	1.1
160.05141	0.8
161.05998	3.4
162.06676	0.3
163.03928	2.0
163.07574	2.8
165.05478	0.6
165.09122	10.8
167.07051	10.3
175.07477	0.4
177.05464	4.2
178.06242	1.4
179.07028	2.7
179.10716	0.3
180.07819	0.4
180.72398	0.3
181.08568	2.0
189.09134	0.3
191.07030	1.0
192.07718	0.5
193.08617	50.7
194.08917	0.8
195.06552	1.2
195.10191	2.7
197.11749	0.8
207.92665	0.3
209.06049	0.5
209.08098	15.7
211.09666	100.0
212.10083	1.3
225.07466	0.3
233.11795	0.5
276.88129	0.3
289.10294	0.3
326.53909	0.3
330.24197	0.3
361.05453	0.4
371.14911	0.6
391.17426	1.3
400.93079	0.3
403.17300	0.7
644.29413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.01867	2.3
57.03424	0.9
61.02926	1.8
66.05260	1.0
69.03419	2.5
69.41129	5.9
78.04686	1.4
79.05500	6.7
81.03432	6.3
85.02897	8.5
91.05479	7.3
91.49886	0.9
93.07069	5.8
95.04967	2.4
97.02906	2.7
98.21526	1.7
103.05467	16.8
105.04510	1.1
105.07040	20.7
106.04195	1.7
107.04961	73.9
107.82227	1.0
109.02895	2.1
111.57122	1.0
115.05483	6.1
115.06145	1.0
117.07029	2.0
118.04155	2.2
119.04961	2.3
120.05718	2.7
121.06520	9.9
122.07367	1.0
123.04455	8.1
123.08067	1.4
124.05239	1.4
127.03883	1.2
131.04935	7.6
133.06506	18.1
135.04443	2.4
135.08072	25.1
137.06004	4.8
145.07642	1.9
147.04385	2.1
148.05240	1.4
149.05992	16.2
149.97301	1.0
150.06752	4.3
151.03938	1.2
151.07565	5.4
152.04712	1.4
154.05026	11.0
154.06200	2.2
161.05986	18.8
161.07239	1.4
163.03952	6.6
163.07553	83.9
165.09142	4.7
166.06281	2.4
167.07051	86.7
168.07709	1.1
177.05496	3.2
178.06253	1.3
179.07027	10.4
180.07770	2.7
181.08621	18.5
182.09274	1.5
191.07069	3.2
192.07738	0.9
193.08635	36.9
195.06525	4.9
195.10184	100.0
196.10640	1.3
197.11777	4.1
207.06439	1.9
209.08115	6.8
210.08936	1.4
211.09668	58.4
212.10403	1.7
213.11243	7.3
221.08054	1.1
223.09758	3.9
280.08133	2.7
291.12289	5.6
341.12457	1.4
346.95697	1.0
373.15076	1.2
374.15750	3.1
391.17453	8.0
403.17462	1.3
498.19424	1.1
644.29041	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	643.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
52.32495	1.4
53.03949	8.6
55.01876	7.0
55.05514	32.7
57.03441	12.0
57.07066	3.0
65.03941	4.5
66.34045	1.3
67.05508	86.3
68.05843	1.6
68.99158	1.4
69.03434	3.8
69.07063	26.3
69.22249	14.6
70.43728	1.9
71.04987	5.3
77.03920	2.2
79.05499	66.9
81.03428	3.9
81.07059	100.0
83.04974	7.4
83.08621	19.0
85.02931	1.9
85.06541	5.3
91.05483	77.6
93.07046	67.6
94.07372	2.4
95.04971	10.7
95.08610	53.8
96.08952	1.9
97.06525	9.2
97.10180	9.1
99.08106	3.7
103.05492	2.7
105.04543	3.8
105.07037	74.1
107.04967	10.0
107.08597	38.6
109.06521	12.8
109.10169	27.0
111.08080	4.8
115.05460	3.8
117.07027	23.9
118.00089	1.8
119.08589	68.6
121.06521	5.0
121.10145	28.8
123.08099	7.8
123.11701	7.9
125.09623	7.1
128.06256	2.9
129.05476	2.3
129.07007	15.3
131.08574	36.8
133.06535	2.2
133.10136	48.6
135.08052	7.1
135.11702	18.4
137.09653	5.7
139.11186	2.4
141.07033	2.0
142.07838	1.9
143.08569	14.6
144.09337	2.5
145.10130	32.4
147.04369	1.6
147.08049	4.6
147.11697	49.8
149.09659	8.3
149.13264	11.3
151.11223	3.5
155.08553	4.3
157.10143	15.7
159.08051	2.9
159.11691	25.6
161.09724	1.8
161.13277	28.7
163.09941	2.6
163.11197	9.4
163.14784	4.8
165.12772	4.8
167.08612	1.9
169.10133	6.6
171.11693	12.8
173.11815	2.5
173.13246	16.4
175.11191	3.8
175.14844	15.6
177.12767	3.8
183.11697	5.7
185.13223	10.4
187.11252	1.9
187.14845	6.7
189.11220	3.2
189.12814	3.1
193.12149	2.8
195.11716	3.4
196.82358	1.5
197.13269	3.2
199.14854	5.0
201.16374	2.6
207.13770	1.8
209.13326	2.3
211.14853	3.4
213.16434	4.1
215.17963	2.5
219.17389	2.1
229.19592	2.4
231.17580	2.0
231.21068	4.5
239.18013	3.8
241.19527	26.5
243.21141	3.0
247.20659	2.2
255.17622	1.8
257.18961	11.9
259.20587	57.0
273.18579	4.0
275.20068	38.0
276.20691	1.9
277.21439	5.0
289.21411	1.7
291.19614	2.8
292.19073	3.3
293.21039	6.8
297.22177	1.7
315.23264	4.4
331.22879	2.0
333.24277	48.0
335.25824	4.2
349.23917	10.3
351.25354	3.3
365.23248	2.9
366.99142	1.7
367.24847	25.4
367.29623	2.5
515.38104	2.6
533.39740	4.8
551.40601	6.1
607.43500	7.8
625.44653	21.2
643.45032	19.2
655.78082	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01865	7.5
55.05517	26.0
57.03444	9.0
57.07070	3.7
65.03932	5.2
67.05511	80.8
69.03406	1.6
69.06722	2.5
69.07071	28.2
69.37846	1.5
69.74493	4.4
69.74902	4.9
71.04995	5.1
73.02913	1.4
79.05499	61.9
81.03439	2.1
81.07064	100.0
83.04984	5.9
83.08631	16.8
85.06538	3.2
90.60816	1.6
91.05487	69.2
93.06487	3.3
93.07053	62.6
95.04960	9.7
95.08614	57.9
97.06560	9.3
97.10162	6.3
98.21444	2.1
99.08078	2.5
103.05480	3.6
105.04521	2.1
105.07039	71.7
107.04940	7.3
107.08598	40.4
109.06535	14.3
109.10165	20.8
111.08067	4.6
115.05426	3.0
117.07011	21.8
119.08591	68.9
121.06491	6.0
121.10158	29.5
123.08083	5.8
123.11706	10.2
125.09656	3.5
128.06212	2.5
129.07050	9.5
131.08574	34.3
133.06477	2.7
133.10146	44.6
135.08075	7.3
135.11713	18.8
137.09650	4.8
139.11256	2.1
141.06996	3.3
142.07829	3.4
143.08592	14.0
145.10139	28.0
147.08087	4.0
147.11705	44.4
149.09630	9.1
149.13297	11.6
151.11197	3.5
155.08568	4.5
157.10152	16.8
157.66533	1.8
159.11708	27.5
161.09634	3.1
161.13266	27.4
163.11218	7.3
163.14816	5.3
165.12718	4.5
169.10124	7.3
171.11696	15.8
173.13264	17.6
175.11188	4.5
175.14886	12.3
177.12756	4.6
183.11642	8.4
185.13257	9.4
187.11189	1.6
187.14821	7.2
189.12689	4.4
195.11742	2.6
197.09282	1.6
197.13240	5.7
199.14844	7.8
201.16368	2.7
207.11832	1.7
207.13724	2.0
211.14854	3.5
213.16432	3.5
215.17900	2.3
219.13754	2.2
225.16478	1.9
227.12766	2.0
229.19525	3.3
231.21132	6.0
239.17999	5.1
241.19556	28.1
243.21082	2.3
247.20485	3.4
257.19003	10.4
259.20575	48.7
261.22083	2.3
273.18536	3.4
275.20084	46.2
277.21698	3.0
289.21667	2.1
291.19614	4.1
293.21124	9.5
315.23291	5.7
333.20428	3.0
333.24280	47.5
335.25769	4.5
346.83395	1.8
349.23788	7.6
351.25150	3.4
365.23135	3.4
367.24860	18.8
367.29547	3.0
513.35706	3.8
515.37744	5.8
527.37451	2.1
533.39514	4.9
551.40625	4.7
595.38489	1.8
607.43542	12.3
625.44739	21.9
643.45868	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91237	1.5
53.03940	4.7
55.01872	11.3
55.05517	18.2
57.03442	25.7
57.07079	2.6
57.90906	1.3
65.03944	8.3
67.05510	86.2
69.03437	2.5
69.07072	13.9
69.37247	12.3
71.04984	3.9
71.20101	1.5
73.72942	1.3
79.05499	44.0
81.03410	4.4
81.07064	60.6
83.04977	3.6
83.08640	7.7
85.06547	15.0
91.05489	44.4
93.07053	49.8
95.04975	58.1
95.08610	36.0
97.06531	5.8
97.10139	2.4
99.08096	2.4
105.04530	2.3
105.07038	32.0
107.04966	8.8
107.08611	24.4
109.06526	67.5
109.10156	13.1
111.08083	3.3
113.06017	34.9
115.05489	1.9
117.07027	17.7
119.08583	21.2
121.06535	5.0
121.10142	12.7
123.08095	5.5
123.11736	4.6
128.06241	2.7
129.06996	7.1
130.98184	1.5
131.08592	22.5
133.06508	2.9
133.10135	14.5
134.21480	1.2
135.08066	48.7
135.11720	14.7
136.85368	1.5
137.09648	2.9
141.06911	1.4
142.07770	1.5
143.08546	9.9
145.06493	1.6
145.10127	15.6
147.08063	7.4
147.11687	7.7
149.09625	8.3
149.13254	6.1
155.08554	2.3
157.10097	7.0
159.08118	2.1
159.11696	12.1
161.09647	8.3
161.13258	4.3
163.11179	4.7
163.14809	1.6
169.10204	2.6
171.11737	4.9
173.13284	5.9
175.11197	3.9
175.14850	2.6
177.12772	4.0
179.14351	2.2
183.11667	1.5
185.09636	2.0
185.13286	4.0
187.11153	2.3
187.14845	1.5
195.11794	3.1
199.14870	4.6
201.12689	1.9
215.03467	1.5
217.15883	15.1
227.17993	1.5
235.16762	1.5
243.21260	1.5
245.19273	1.7
255.17470	4.9
259.20566	3.6
261.21957	2.1
273.18500	37.6
275.20068	5.8
277.21777	1.9
291.19556	100.0
292.19977	2.2
333.24240	2.8
335.25821	80.0
336.26297	2.0
347.22339	8.6
365.23267	9.2
367.24716	2.0
567.40131	2.0
607.43207	3.2
625.44598	30.6
643.45068	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	643.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63626	1.2
53.03943	4.4
55.01874	6.5
55.05518	16.4
57.03445	7.8
57.07071	2.4
65.03938	2.1
67.05510	38.3
68.05836	1.9
69.03436	2.5
69.07066	13.3
71.04985	2.9
71.08630	3.3
79.05070	2.1
79.05501	27.6
79.15185	1.2
80.05810	1.5
81.03417	3.7
81.07065	31.2
82.07392	3.2
83.04977	4.0
83.08628	6.6
85.06538	3.2
89.06012	1.4
91.05494	24.7
93.07055	24.2
94.07391	2.1
95.04976	13.2
95.08622	19.7
96.08972	2.2
97.06521	5.7
97.10160	4.9
98.21546	2.6
99.08094	1.7
105.04523	1.6
105.07040	21.6
106.07351	3.0
107.04971	5.0
107.08614	16.1
109.06510	12.2
109.10188	7.5
111.08064	3.0
113.06032	6.4
116.84126	1.3
117.07021	9.8
119.08578	12.2
120.08956	1.6
121.06522	2.4
121.10150	9.9
123.08090	1.9
123.11681	2.6
125.09643	5.8
126.09935	1.4
128.06227	1.3
129.06982	4.7
131.08553	10.5
132.08949	1.9
133.06485	2.0
133.10143	9.9
134.10509	1.6
135.08070	11.3
135.11688	4.5
141.05960	1.2
142.07822	1.8
143.08557	6.0
145.10121	8.8
147.08018	1.6
147.11674	6.9
149.09630	4.1
149.13292	4.0
151.11200	4.0
155.08556	1.9
157.10159	5.2
159.11725	5.8
161.09604	3.6
161.13278	3.2
163.11230	2.8
164.10727	1.8
169.10156	3.2
171.11697	3.0
173.13326	2.9
177.12810	2.3
179.14308	3.1
183.11739	1.8
185.13245	3.6
187.14804	1.3
195.13808	1.2
197.13216	1.5
199.14818	2.0
217.15964	2.3
221.10793	3.2
223.12946	1.4
224.13098	1.5
227.12738	3.0
228.13115	1.5
235.12373	2.8
237.13834	1.9
238.14702	1.6
239.11708	1.6
241.19514	2.7
245.19092	1.7
247.12381	2.7
249.13907	1.7
251.15572	1.8
253.14264	1.5
255.17628	1.6
257.19077	1.5
259.20584	4.1
260.20898	2.6
261.13916	2.1
261.22165	2.1
262.13239	1.3
263.15320	1.6
273.18539	7.6
274.13419	2.3
275.15601	1.4
275.20166	7.2
276.14917	1.9
277.21707	3.6
287.15518	1.8
291.16525	2.1
291.19595	28.3
292.19925	4.7
293.20914	1.9
297.12790	1.8
302.12857	3.4
312.14981	2.1
314.16443	2.1
318.15985	3.6
325.15610	2.3
333.24466	1.5
335.25781	15.9
336.14590	1.5
337.15515	3.0
340.17987	3.4
349.23773	2.7
350.15936	1.9
351.16385	2.4
352.17535	4.0
353.18115	2.1
354.15930	2.0
354.19852	1.6
364.18048	2.4
365.18207	2.3
365.23187	6.3
366.18979	2.8
367.19525	2.9
378.19818	1.5
379.19443	5.4
381.20663	4.0
383.22461	2.7
390.19635	1.6
392.20740	1.9
393.17273	4.3
394.17743	2.7
395.18521	5.7
397.17026	2.1
402.15601	1.5
405.20865	1.7
407.18582	4.4
408.19531	5.1
409.20276	10.1
410.20932	3.8
419.18491	1.8
421.19995	3.5
422.21545	1.9
423.21936	13.7
424.22659	3.5
425.23859	1.7
426.22028	1.6
433.20120	1.9
434.21124	2.3
435.21725	5.2
436.23080	2.9
437.23642	4.4
442.20703	1.8
443.22092	7.2
449.23718	2.7
451.20709	3.6
452.23114	2.2
453.23016	2.6
454.20224	3.7
461.23438	4.2
463.21408	1.5
465.23087	6.7
466.20834	2.0
467.20847	2.9
468.21649	1.7
469.25809	2.9
470.25955	1.5
479.24191	6.7
480.24915	2.1
481.22266	9.4
482.22922	2.6
483.23764	3.6
494.23242	5.1
495.23993	5.7
496.24814	11.0
497.25552	13.6
503.23721	3.1
507.23724	3.5
508.24741	1.7
509.21533	3.5
511.27469	12.5
512.27515	6.3
514.23035	2.0
523.23267	11.3
524.24115	8.2
527.26501	1.6
538.25665	1.7
539.26801	30.4
540.24811	2.4
541.24219	3.7
545.38446	2.1
551.22809	2.8
555.25745	1.8
556.26959	2.9
557.27344	5.4
567.26038	29.8
569.23608	4.3
581.27582	5.2
582.25885	3.8
583.25568	28.8
584.25885	4.0
599.28711	100.0
600.28223	3.6
601.26422	8.5
607.43042	2.3
611.25073	54.2
612.24854	2.0
615.27734	1.9
621.88550	1.5
624.43524	3.5
625.26678	3.3
625.44147	17.1
643.27545	10.9
643.44952	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	1.4
55.05460	2.5
57.03403	0.8
65.03891	0.5
65.60776	0.4
67.05504	7.5
69.03355	0.5
69.07069	2.6
71.04948	0.6
79.05495	6.0
80.05796	0.5
81.03381	0.5
81.07059	8.3
82.07368	0.6
83.08550	1.3
91.05479	5.9
93.07047	5.6
95.04922	1.3
95.08609	5.6
97.06481	1.3
97.10119	1.0
105.07034	6.2
107.04950	0.5
107.08584	4.2
109.06476	0.9
109.10146	2.2
115.05373	0.5
117.07005	2.4
119.08582	5.3
120.08806	0.5
121.10150	2.4
123.08067	0.6
123.11746	0.6
125.09576	1.4
129.06917	1.3
131.08580	3.1
133.10162	3.3
135.07985	0.8
135.11629	1.5
143.08508	1.9
145.10143	2.7
147.11673	3.1
149.09537	0.7
149.13190	1.2
151.11209	0.6
155.08513	1.5
157.10088	1.4
158.33362	0.5
159.11719	2.3
161.13177	1.5
163.11110	0.7
171.11678	1.3
173.13252	1.2
175.14679	0.6
185.13264	1.0
189.11174	0.6
189.12733	0.5
197.13011	0.4
199.14702	0.8
227.12610	0.7
229.14336	0.6
241.19450	1.1
257.19025	0.6
259.06512	0.4
259.20517	3.5
269.22015	0.4
273.18475	0.6
275.20023	2.2
276.20413	0.8
277.21558	0.5
291.19421	1.1
291.60364	0.5
333.24158	2.0
335.25732	0.9
349.23785	1.0
367.24710	1.6
396.12183	1.0
397.13095	2.3
398.13611	0.8
409.13025	1.0
410.13861	2.2
411.14505	6.1
412.15326	4.9
413.16052	2.3
423.14417	1.9
424.10947	1.1
424.15457	2.0
425.16269	11.7
426.16910	9.6
427.17670	2.3
428.18460	1.3
437.11902	1.0
437.16840	0.8
438.12354	3.5
439.13541	14.1
440.18988	5.2
441.19305	38.4
442.19431	2.2
451.13397	0.5
452.14374	4.3
453.15341	17.2
454.15833	4.2
455.21341	0.5
463.14276	0.7
465.15302	0.8
466.11810	0.6
467.17191	26.0
468.17960	16.0
469.18796	12.3
470.18835	0.7
471.16766	0.7
472.17847	0.7
480.18109	0.7
481.14862	16.1
482.15280	3.6
485.19009	0.7
495.17044	2.6
496.17206	15.4
497.17859	3.0
498.19376	0.6
499.20297	1.0
509.18167	2.0
512.20581	0.9
514.22205	2.3
523.19727	1.5
525.17706	0.8
527.23505	3.0
537.19342	0.5
540.19965	0.6
542.21735	0.8
551.19745	0.6
551.40472	0.5
555.22437	33.4
556.23053	2.2
583.21918	100.0
584.22040	6.6
587.25073	2.0
607.43439	1.6
611.21710	1.7
615.24585	11.9
616.24664	0.8
625.44470	3.4
643.23932	62.9
643.45367	2.6
644.24097	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	642.531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	34.8
57.03423	9.0
57.07080	58.1
61.33867	5.3
67.05508	81.8
69.07072	40.0
71.08640	50.8
71.50692	8.2
71.83789	5.6
74.84703	5.6
79.05490	38.0
81.07059	79.9
83.04991	6.9
83.08607	27.5
85.10187	21.2
89.06030	6.7
91.05486	30.4
93.07050	40.8
95.04948	15.0
95.08620	50.4
97.06534	9.7
97.10177	18.1
99.08101	15.3
105.07018	23.6
107.08584	25.3
109.10142	28.1
117.07046	10.0
119.08568	13.7
121.10142	7.3
123.11730	7.7
123.25972	5.3
125.09640	12.2
131.08572	14.1
133.10136	12.6
135.08035	8.0
135.11671	6.6
147.11681	7.1
149.13237	11.4
151.11154	7.6
177.12563	8.3
190.20944	6.5
195.13818	8.2
219.05830	5.7
227.12749	45.5
269.17471	26.1
277.21640	29.0
295.22714	13.5
313.27399	79.2
331.29654	5.4
342.95236	5.7
351.25308	37.3
401.78784	5.9
411.34512	9.3
432.85141	6.2
451.77960	6.4
483.37668	7.4
507.40503	100.0
531.40424	12.8
589.48383	28.0
607.48456	11.5
643.45032	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	642.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07882	0.9
53.03939	1.5
55.01877	1.5
55.05515	11.6
57.03450	4.7
57.06794	1.4
57.07078	28.1
65.03917	1.2
67.05510	29.0
69.07069	11.3
69.66876	0.8
70.63921	3.0
71.04986	2.2
71.08636	21.5
73.02959	0.9
79.05492	16.6
81.03416	1.4
81.06591	1.8
81.07063	32.7
83.04990	6.6
83.08629	9.0
85.06534	2.4
85.09804	0.8
85.10191	9.5
89.06039	1.0
91.05482	11.4
93.07053	19.9
95.04975	5.2
95.08611	25.0
97.06540	6.6
97.10158	4.1
99.08105	3.0
101.97804	1.2
103.05451	0.9
105.07038	8.9
107.08595	11.2
109.06509	2.0
109.10168	9.7
111.08112	1.9
113.09647	1.0
115.05494	1.0
117.07011	3.5
119.08597	3.4
121.10149	5.2
123.08110	0.8
123.11709	3.9
126.76022	0.9
129.07048	1.2
131.08595	6.3
133.10121	5.5
135.11676	4.1
137.13197	1.6
139.11177	2.0
140.74883	0.9
145.10139	1.6
147.11684	2.6
149.13289	6.6
151.11211	3.9
159.11687	3.6
161.13263	1.8
163.11272	2.1
165.12810	1.1
177.12743	3.0
179.14348	1.3
185.13318	1.2
195.13823	5.6
233.15378	1.3
239.23703	4.2
249.22002	1.0
251.16534	2.5
259.20709	2.2
269.17505	11.2
277.21725	5.7
286.28952	0.9
313.27377	27.7
351.25290	10.0
411.09097	0.9
467.37256	1.1
470.01373	1.1
507.40497	100.0
508.40836	3.4
589.48419	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	642.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
53.17351	1.1
55.01877	6.9
55.05510	13.8
56.05828	1.5
57.03447	5.0
57.07056	1.6
59.05008	1.1
61.02919	2.3
65.03941	1.1
67.05507	33.4
68.05827	3.0
69.03415	2.1
69.07075	14.2
69.77259	6.2
71.04990	3.2
79.05496	26.0
80.05818	3.5
81.03424	2.9
81.07058	35.5
82.07368	3.4
83.04974	4.2
83.08626	6.2
84.08964	1.8
85.02924	2.2
85.06534	2.3
91.05485	34.2
92.05823	3.3
93.07046	26.3
94.07372	3.3
95.01297	1.3
95.04972	5.6
95.08607	19.4
96.08941	2.3
97.02901	1.2
97.06534	9.4
97.10159	3.2
98.21458	2.0
103.05472	1.4
105.04547	1.2
105.07037	33.9
106.07368	3.6
107.04951	4.1
107.08601	12.6
108.08916	2.6
109.06506	5.5
109.10152	8.5
110.10490	1.4
111.08074	2.7
115.05441	2.8
117.07028	12.8
118.07372	1.6
119.08588	19.4
120.08920	4.0
121.06515	2.2
121.10152	10.0
123.08053	3.3
123.11700	3.1
125.09621	1.9
128.06183	1.4
129.07024	6.5
130.07423	1.2
130.08646	1.1
131.08574	21.5
132.08896	2.2
133.06500	2.5
133.10135	13.5
134.10454	2.9
135.08072	2.8
135.11687	3.1
137.09642	1.9
141.06998	3.1
143.08571	8.8
145.06528	1.5
145.10126	15.5
146.10461	2.6
146.57704	1.1
147.11690	9.3
148.12054	1.3
149.09644	5.4
149.13278	2.0
150.09930	1.5
153.09064	1.3
155.08577	5.3
157.10146	4.8
159.11705	9.0
160.12001	1.6
161.09569	2.1
161.13281	3.2
163.11195	3.5
167.08546	2.3
169.10124	4.4
171.10347	1.4
171.11685	6.7
172.12071	1.2
173.13242	5.6
175.11183	1.9
177.12709	1.6
179.14241	1.5
181.10150	2.3
183.11691	2.8
184.12195	1.2
185.13272	3.8
186.13995	1.1
187.14786	1.8
189.12798	1.2
195.11679	2.5
197.13289	3.1
199.14844	3.0
201.16470	1.2
209.13246	1.4
211.14856	1.4
213.16414	1.8
223.14796	1.8
223.20860	1.2
225.16206	1.3
227.12698	1.5
229.19492	1.2
233.15266	1.0
239.18088	1.4
240.18457	1.3
257.07178	1.3
257.19055	3.2
258.19293	2.1
259.20645	1.3
273.18640	1.7
275.20108	15.5
276.20374	12.4
292.19672	1.6
294.21552	1.6
335.23492	1.5
349.23660	4.7
350.23972	5.7
353.24783	3.8
371.25766	3.8
389.26950	5.9
445.29523	100.0
446.29620	4.3
463.30673	22.7
553.33929	1.2
624.43542	10.3
642.44440	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	642.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01875	7.3
55.05512	17.7
56.05829	1.4
57.03426	4.2
57.07052	1.8
58.03811	1.0
58.58397	1.1
61.02929	1.3
65.03911	1.4
67.05506	37.5
68.05821	3.3
69.03415	1.7
69.07069	14.3
69.21058	4.7
69.21484	6.0
70.07397	2.9
71.04992	1.8
76.02776	1.0
79.05496	30.3
80.05814	3.0
81.03416	2.5
81.06590	1.9
81.07059	37.5
82.07399	5.4
83.04970	4.5
83.08620	7.0
84.69563	1.3
85.02922	1.9
85.06547	1.9
91.05482	33.1
92.05819	3.7
93.07047	24.7
94.07381	3.1
95.04981	5.2
95.05491	1.1
95.08607	21.9
95.74084	1.1
96.08949	2.4
97.02894	1.4
97.06535	9.5
97.10167	4.1
98.06834	1.4
98.20728	2.1
99.08076	1.8
103.05428	1.4
105.07040	34.9
106.07362	3.8
107.04945	7.6
107.08595	17.3
108.08922	3.1
109.06506	5.1
109.10170	11.9
110.10458	1.9
111.08083	2.0
115.05450	2.0
117.07017	14.2
118.07314	2.1
119.06072	1.1
119.08582	25.1
120.08930	2.4
121.06506	3.8
121.10152	9.8
123.08049	3.6
123.11716	2.5
125.09615	3.7
128.06187	1.7
129.07021	7.3
131.08563	21.7
132.08896	2.6
133.06558	2.1
133.10150	17.0
134.10487	2.0
135.08057	3.2
135.11688	4.0
137.09566	2.7
141.07014	3.2
143.08574	9.8
144.08835	1.1
145.06503	1.9
145.10115	16.6
146.10423	3.3
147.08038	2.3
147.11703	6.8
149.09584	5.6
149.13254	1.8
155.08551	3.1
157.10155	7.1
158.10500	2.0
159.11702	7.6
160.12085	1.8
161.09712	1.5
161.13220	2.6
162.13702	1.2
163.11163	2.9
167.08549	1.7
169.10120	4.7
171.11671	5.6
173.13239	4.6
175.11267	1.5
177.20410	1.4
179.14362	1.8
181.10118	3.9
183.11681	4.1
185.13313	3.2
187.11166	1.2
187.14795	1.7
195.11717	2.3
197.13214	3.6
199.14850	2.0
209.13210	1.7
227.12564	1.7
230.19954	1.3
239.17937	1.9
240.18103	1.2
247.17032	1.2
257.19022	3.8
258.19409	2.7
259.20764	1.1
273.18539	1.7
275.20114	13.5
276.20377	12.0
291.19662	1.3
301.36462	1.2
349.23712	4.0
350.24048	6.8
353.24734	4.3
371.25745	5.1
389.26947	7.4
396.30008	1.6
445.29504	100.0
446.29807	3.2
463.30542	21.0
532.37659	1.3
606.42865	1.4
624.43439	10.3
642.44507	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01863	1.2
62.06099	0.4
65.03936	2.2
67.05504	0.6
69.49606	2.3
75.04131	0.3
75.04496	2.7
77.03925	0.5
78.04721	2.0
78.05096	0.4
79.05482	1.0
81.03415	0.5
81.07051	0.3
85.02914	3.0
85.09253	0.3
89.03943	0.8
91.05486	8.7
92.84877	0.3
93.03408	9.7
93.07041	4.5
94.04291	0.4
95.04981	2.6
97.02911	0.4
97.06556	2.4
103.05456	4.4
105.03369	0.6
105.04525	0.8
105.07043	0.8
106.04178	19.4
107.04965	1.5
109.06522	0.6
110.06184	0.4
110.36521	0.3
111.04472	0.5
116.71210	0.3
117.03386	0.7
119.04931	1.0
121.06511	23.1
123.04427	0.8
123.08081	0.3
124.05215	0.5
125.05999	6.0
131.04916	1.1
133.06534	0.5
134.03627	3.3
135.04398	1.2
137.05978	2.4
138.06763	1.2
139.07544	1.8
145.02859	0.9
148.05168	1.3
149.05988	36.2
151.07526	1.5
152.08310	0.6
153.05478	0.9
153.07916	0.8
153.09105	10.0
157.11734	0.3
161.06038	0.5
163.03871	1.0
163.07541	1.9
165.05357	0.4
166.06287	1.0
167.07054	1.5
176.04715	0.4
177.05478	19.1
177.09009	0.7
180.07822	0.6
181.08597	18.1
191.07025	2.3
192.07816	0.5
195.06573	0.8
197.63969	0.4
209.08096	100.0
210.08586	0.8
224.11316	0.5
248.54636	0.4
315.91565	0.4
445.78598	0.4
458.20279	0.4
642.27496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.7
55.01866	15.6
55.05516	80.4
55.65083	2.5
57.03447	13.8
57.07072	3.2
58.47923	2.4
62.64417	2.5
63.28569	2.3
65.03929	8.4
67.05508	97.7
69.03419	11.3
69.07069	49.2
69.54682	20.1
71.04980	7.8
77.03912	3.6
79.05499	89.9
81.03403	8.1
81.07058	100.0
83.04987	13.1
83.08628	35.9
84.06001	2.4
85.06549	5.6
91.05489	92.1
93.07053	78.0
95.04971	18.3
95.08613	60.2
97.02891	7.6
97.06528	14.6
97.10178	46.2
99.08078	6.0
103.05483	4.1
105.04513	4.9
105.07042	71.7
107.04951	13.1
107.07887	3.1
107.08602	57.7
109.06529	12.4
109.10165	28.5
111.08086	10.0
112.89394	2.3
115.05457	7.7
116.06262	3.3
117.07025	35.5
119.08589	69.5
121.06493	9.1
121.10156	28.1
123.08063	6.3
123.11691	9.8
125.09634	40.8
128.06219	7.8
129.07024	28.9
130.07794	5.0
131.08586	52.1
133.06470	6.4
133.10138	47.5
135.08034	12.0
135.11708	21.5
137.09564	4.5
139.11177	2.9
141.06981	9.0
142.07813	4.7
143.08588	29.3
144.09314	3.5
145.06471	5.8
145.10120	44.1
147.08064	9.9
147.11696	40.4
149.09654	5.6
149.13226	12.4
151.11208	4.6
153.07025	5.3
153.09184	3.1
155.08575	19.6
157.10144	27.4
159.08078	4.1
159.11699	32.3
161.09598	6.7
161.13280	20.6
163.11174	7.5
163.14932	2.9
165.06992	3.6
165.09036	3.4
167.08566	10.9
169.10133	15.4
171.07965	3.1
171.11678	21.8
173.13246	16.8
175.11195	3.7
175.14857	13.1
177.12801	5.6
179.08606	3.3
179.14374	3.0
181.10130	12.3
183.11696	22.6
185.13234	15.8
187.11084	3.6
187.13297	3.9
187.14856	7.1
189.11287	14.4
189.12732	3.9
193.10155	6.1
195.11687	12.8
196.12318	3.4
197.13240	10.7
199.14830	10.9
201.16454	3.8
205.12195	3.5
207.11719	6.7
209.13275	8.5
211.14838	9.1
213.16425	9.4
215.17955	3.6
221.13309	3.5
223.13095	15.8
223.15155	4.6
225.16374	5.4
227.12762	24.4
227.17877	3.6
235.14935	4.1
241.19513	19.8
243.15820	4.7
245.13776	4.0
245.18990	3.8
257.18988	8.1
259.20599	44.9
273.18655	13.1
275.20227	15.7
277.21878	4.1
285.22092	4.3
289.18005	5.5
291.19583	89.6
299.23694	5.3
313.21658	4.1
315.23203	3.6
333.24313	32.4
347.21988	3.0
363.26904	7.1
365.23224	24.7
379.30142	8.3
381.28030	6.0
397.30670	4.4
419.29367	3.5
511.34210	6.8
513.36786	4.8
525.35565	5.4
529.35291	5.2
531.38141	8.0
543.36932	9.4
549.39154	8.6
605.42230	18.8
623.43127	86.9
641.44202	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.2
51.04563	1.3
53.03944	6.4
55.01876	36.5
55.05268	2.5
55.05515	34.4
57.03440	8.8
57.07071	3.7
65.03946	4.7
67.05511	72.7
69.03424	4.5
69.07072	34.7
71.04998	5.0
71.08623	1.7
79.05500	62.4
81.03423	7.1
81.07060	67.4
83.04990	13.4
83.08618	18.3
85.06558	4.3
91.05484	69.1
93.07047	50.9
95.01334	5.5
95.04966	15.7
95.08614	44.5
95.09109	0.9
95.09237	1.6
97.06538	46.5
97.10175	9.3
98.04408	1.4
98.21513	4.9
99.08112	3.3
103.05531	2.2
104.02578	1.5
105.04530	3.3
105.07040	71.2
107.04967	26.1
107.08602	39.2
109.06521	10.8
109.10146	20.1
111.08098	6.3
113.06008	4.2
113.09673	1.9
115.05444	2.7
117.07043	21.9
119.06090	1.6
119.08585	41.2
121.06517	8.1
121.10149	16.5
123.04481	2.7
123.08080	6.0
123.11703	5.3
125.09642	8.6
128.06233	3.4
129.07033	13.1
131.04898	1.6
131.08580	28.8
133.06505	4.6
133.10135	36.7
135.08070	7.4
135.11684	13.7
137.09630	5.8
139.07512	1.7
139.11214	1.8
141.07037	6.0
141.48378	1.7
142.07806	3.0
143.08568	14.7
145.06538	3.8
145.10147	25.8
147.08040	3.2
147.11687	24.5
149.09633	23.6
149.13269	6.1
151.11243	3.0
152.30978	1.5
152.45935	1.4
155.08528	7.8
157.10175	13.1
159.08086	2.8
159.11694	22.9
161.09686	4.0
161.13297	11.2
163.11180	8.7
165.09099	2.8
165.12743	2.9
167.08620	4.0
168.09293	2.5
169.10133	9.3
171.10374	2.6
171.11671	11.9
173.09659	2.9
173.13284	11.2
175.11192	4.9
175.14771	1.5
177.12773	5.4
179.14331	13.1
181.10112	3.1
183.11668	11.3
185.09753	1.7
185.13257	8.8
187.11180	2.5
187.14856	4.0
189.11285	2.5
189.12833	2.2
195.11755	4.7
197.13232	7.2
199.14890	2.5
209.13309	4.8
211.14861	4.2
213.16464	1.9
217.15813	2.5
219.17444	4.0
221.13277	1.9
221.15477	1.6
223.14864	3.0
227.12762	11.3
229.19563	4.3
233.15462	2.3
239.18005	5.6
241.19553	3.0
247.17010	1.6
247.20728	3.2
251.17999	1.9
257.19031	11.8
259.20590	2.9
273.18515	6.0
275.20084	100.0
277.21689	4.3
285.21933	1.8
289.18198	1.7
291.19525	10.5
293.21085	7.7
312.15283	1.7
331.22589	2.4
347.22385	3.7
349.23749	42.8
365.23114	2.0
395.29440	2.8
445.29504	2.5
487.34003	1.6
511.34680	2.7
527.37091	4.2
529.38281	1.7
538.20123	1.6
539.37396	3.3
543.36792	2.1
549.39380	3.7
557.38202	2.8
595.43781	3.5
605.42261	4.9
623.33380	2.6
623.43127	41.4
641.44196	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	641.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.9
53.03951	9.7
53.98866	2.2
55.01879	32.4
55.05518	65.3
57.03442	10.8
57.07088	4.6
59.05001	2.9
64.82417	2.1
65.03964	3.6
67.05514	100.0
69.03435	5.3
69.07076	55.1
71.05001	8.0
71.42119	2.3
77.03963	2.9
79.05503	87.4
81.03419	10.3
81.07068	92.0
83.04986	10.8
83.08624	29.0
85.06551	5.8
91.05493	84.3
93.07053	69.9
95.04971	18.4
95.08621	54.3
95.26718	2.3
97.02936	4.4
97.06536	39.5
97.10184	39.0
99.08114	3.2
103.05505	3.1
103.42387	2.2
105.04524	3.7
105.07048	69.8
105.07773	4.0
107.04971	19.2
107.08614	56.6
109.06552	10.5
109.10175	27.5
111.08107	9.6
115.05484	5.2
117.07031	31.7
119.04986	3.2
119.08593	58.3
121.06518	7.9
121.10168	20.5
123.08090	4.9
123.11724	7.5
125.09657	29.5
128.06242	7.9
129.07013	22.1
130.07756	3.0
131.08594	43.2
133.06511	4.7
133.10149	44.2
135.08076	9.9
135.11719	17.2
137.09679	4.0
141.06998	7.7
142.07779	4.7
143.08572	21.0
144.09319	2.4
145.06454	3.7
145.10150	37.4
147.08080	4.7
147.11708	33.7
149.09644	19.7
149.13286	8.6
151.11223	7.6
153.09106	3.5
155.08549	13.2
156.09401	4.0
157.10167	23.4
159.08067	4.1
159.11726	27.5
161.09608	6.9
161.13295	20.8
163.11221	10.3
163.14835	2.9
165.12764	3.2
167.08643	5.8
169.10126	17.8
171.10257	4.8
171.11743	20.8
173.09750	2.5
173.11853	3.8
173.13193	13.5
175.11269	6.2
175.14845	6.6
177.12759	4.9
179.08623	3.3
179.14304	5.6
181.10097	10.8
183.11743	15.3
185.13248	14.3
187.11130	3.9
187.14868	6.8
189.11183	16.6
189.12712	2.8
193.10211	4.7
195.11729	8.2
195.13818	2.7
197.13304	11.7
199.14891	9.8
201.12743	5.1
203.14351	2.6
207.11722	4.3
209.13358	6.3
211.14787	5.7
213.12909	2.5
213.16411	5.4
215.17999	3.1
221.13319	3.3
223.13235	7.0
223.15067	5.4
225.16460	4.6
227.12779	25.0
227.17938	3.4
235.14857	3.5
237.16307	4.9
239.18053	6.3
241.19513	16.2
243.15869	2.4
245.19052	3.6
247.20735	4.8
257.19107	13.1
259.20584	32.0
259.23074	3.3
271.20471	3.6
273.18491	7.7
275.20114	57.7
277.21777	3.5
285.22110	7.4
289.61972	2.1
291.19595	58.8
293.21149	6.5
299.23737	6.0
301.21692	2.7
315.23352	4.2
325.21658	2.7
331.22684	3.1
333.24329	20.2
349.23798	24.2
351.26001	2.4
365.23398	18.5
371.25516	2.8
379.30106	4.2
381.27942	5.6
397.30969	4.8
451.32077	3.5
453.33920	2.7
455.31833	3.2
511.34534	6.6
513.36920	6.2
525.35815	12.6
529.35016	10.0
531.38110	7.4
543.36835	9.6
549.39154	5.3
567.41022	4.0
581.27423	2.9
605.42194	12.9
623.43121	82.6
641.29590	5.9
641.44299	46.7
664.87341	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	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17258	1.7
51.02384	1.9
53.03940	8.3
55.01873	13.9
55.05268	2.5
55.05513	39.6
55.74380	1.6
56.06936	1.4
57.03440	14.3
57.07066	6.8
59.04993	1.7
64.73016	1.6
65.03938	4.5
65.87144	1.7
67.05508	90.9
68.99796	3.5
69.03422	5.3
69.06729	2.4
69.07072	32.8
69.69749	10.1
71.04977	7.4
71.08631	5.2
77.03896	2.1
79.05498	78.8
81.03436	9.6
81.07061	100.0
83.04991	11.8
83.08627	24.7
85.02898	2.6
85.06538	5.2
91.05488	92.2
93.07050	79.6
93.07642	3.7
95.04980	17.5
95.08612	63.1
97.06561	12.4
97.10177	8.7
99.08096	7.1
103.05462	4.8
105.04500	2.2
105.07039	82.8
107.04955	14.6
107.07883	2.5
107.08608	44.4
109.06533	12.4
109.07142	2.1
109.10159	33.8
111.04459	3.8
111.08092	9.2
113.05958	3.6
113.09657	3.2
115.05462	6.5
117.07018	31.7
119.04969	2.7
119.06011	2.0
119.08588	60.2
121.06513	8.6
121.10157	25.8
123.04424	3.3
123.08080	9.7
123.11744	8.3
125.05998	4.4
125.09640	5.5
128.06233	7.0
129.07013	26.5
130.07805	2.2
131.08578	45.7
133.06483	7.4
133.10141	52.9
135.08069	7.8
135.11703	17.8
137.09616	2.5
137.13237	1.9
139.07530	6.0
141.06998	7.5
142.07770	5.6
143.08572	25.6
144.09402	1.8
145.06502	6.8
145.10133	40.3
147.08047	7.9
147.11684	27.7
149.05968	2.3
149.09622	9.9
149.13249	7.7
151.11192	12.1
153.07014	1.8
153.12756	2.2
155.08551	11.3
157.10132	26.1
159.08035	5.8
159.11697	28.1
161.09641	9.1
161.13231	17.9
163.11198	7.4
163.14806	2.7
166.07755	2.9
167.08615	5.3
168.09395	2.2
169.10149	14.8
169.12242	2.4
171.11707	21.7
173.09641	4.3
173.13297	17.2
175.11211	4.6
175.14761	10.0
177.09093	1.9
177.12796	4.3
179.08521	2.4
179.14308	2.4
181.10138	10.2
182.10857	2.2
183.11728	15.1
185.09692	4.4
185.13263	18.2
187.11214	4.2
187.14856	9.6
188.29501	1.8
189.11115	2.2
189.12749	4.1
189.16428	3.6
193.10196	3.3
195.11748	6.8
195.13680	2.6
196.87637	1.9
197.13327	8.3
199.11163	4.3
199.14844	13.2
201.12837	2.6
201.16367	2.9
205.10095	1.7
207.11678	5.1
209.13277	5.6
211.14877	4.2
213.16394	5.6
215.17924	2.2
221.13182	4.5
221.15163	2.2
223.14845	5.9
225.16443	3.7
227.17920	2.4
233.15491	2.0
235.14868	3.3
236.64375	2.1
237.16441	2.3
239.14323	2.0
239.17863	3.3
241.19496	13.9
245.19023	7.2
249.16388	2.1
253.14314	14.6
253.19357	1.9
257.19000	6.7
259.20599	21.0
261.18466	2.3
261.22333	3.1
263.20108	2.3
271.16983	2.2
271.20596	2.6
273.18533	12.7
275.20108	5.9
279.21078	2.2
283.20633	2.7
287.20181	3.4
289.18158	9.3
289.20932	1.8
291.19589	14.5
297.22061	2.7
299.20258	2.3
315.23270	3.2
333.24298	21.9
335.25800	5.1
339.26675	2.9
341.25183	2.1
349.23755	3.7
353.24808	2.0
361.23740	2.1
363.22000	2.6
365.23141	12.1
409.31012	9.5
427.31985	3.3
437.30441	2.0
439.32013	2.6
483.34683	6.7
487.34088	12.5
501.35779	18.9
503.37888	3.2
511.34296	6.6
513.36774	6.8
525.35876	4.1
529.38141	7.6
531.38531	9.8
543.36713	3.1
549.38959	9.6
551.36450	1.9
567.40143	4.6
595.42419	5.4
605.41650	12.1
623.33313	3.4
623.42981	54.5
624.43329	2.3
641.44196	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01870	16.7
55.05515	65.5
57.03444	13.4
57.07070	5.2
59.04995	4.0
59.28142	2.3
65.03946	6.0
66.84174	2.6
67.05510	100.0
69.03428	11.2
69.07076	49.4
69.81541	13.6
71.04980	10.6
79.05499	91.5
81.03404	7.5
81.07065	89.8
83.04991	12.3
83.08627	32.2
85.06536	6.1
90.76919	2.4
91.05491	88.6
93.07054	74.2
93.07642	6.1
95.04963	23.8
95.08027	1.9
95.08611	55.6
97.02905	6.0
97.06555	12.9
97.09554	3.2
97.10179	42.6
98.21533	2.8
99.08063	3.0
105.07043	73.5
107.04971	10.6
107.08610	48.3
109.06553	7.5
109.10165	35.1
111.04494	3.0
111.08106	9.1
115.05499	4.9
117.07037	35.2
119.08595	66.0
121.06503	3.5
121.10156	27.8
123.08068	9.8
123.11715	12.1
125.09653	34.1
128.06178	7.0
129.06998	28.2
130.07780	4.3
131.08575	48.5
133.06496	7.2
133.10149	46.9
135.08064	11.1
135.11690	17.3
137.09618	7.0
141.06996	10.5
142.07759	7.0
143.08571	29.9
144.09335	3.9
145.06474	2.9
145.10152	35.0
147.08086	6.3
147.11691	42.8
149.09610	9.1
149.13281	11.6
151.11171	3.7
153.07030	4.1
153.09088	3.2
155.08574	16.5
155.10689	3.1
156.09361	3.4
157.10143	29.1
159.08133	2.5
159.11700	34.1
159.14642	2.5
161.09639	5.5
161.13263	25.3
163.11180	5.7
163.14842	4.8
167.08571	8.1
169.10120	13.9
171.10188	8.6
171.11714	27.1
173.13316	15.7
175.11285	4.5
175.14842	11.9
179.08519	3.4
181.10098	12.7
183.11708	20.6
185.13243	22.1
187.11220	3.7
187.13284	5.4
187.14853	10.5
189.11230	17.0
189.12709	5.6
193.10201	5.9
193.12126	3.4
195.11719	7.9
195.13779	3.4
197.13223	15.8
198.02771	2.7
199.14894	12.2
201.16396	6.0
205.10133	3.5
207.11708	5.5
209.13251	6.5
211.14827	8.8
213.16379	6.0
221.13329	5.9
223.13220	20.8
225.16422	6.6
227.12767	30.5
231.21133	5.3
237.16405	5.3
239.17973	5.2
241.19551	22.3
243.15787	3.9
245.13710	4.2
249.14667	3.0
251.17995	5.2
257.19144	3.7
259.20584	50.0
263.17935	4.9
267.20877	3.5
271.20511	3.4
273.18552	14.0
275.20190	13.3
285.22226	6.7
289.18030	4.6
291.19568	99.9
299.23688	4.2
315.23291	7.3
333.24319	34.0
340.38126	2.6
349.23694	4.3
363.27185	5.1
365.23279	24.7
379.29947	10.4
381.27737	7.0
397.31320	5.0
419.29187	3.6
437.30771	4.2
511.34628	5.7
513.36365	7.1
525.35547	3.3
529.34961	10.4
531.37970	8.9
543.36621	9.5
549.39270	7.6
554.35938	2.8
567.40137	5.8
605.41876	18.0
623.43079	92.9
641.43903	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18459	1.1
50.31688	1.0
51.02385	1.1
52.69063	1.0
53.03939	5.4
55.01870	5.7
55.05518	11.4
56.35678	1.0
57.03440	26.8
57.07053	2.7
65.03933	4.0
66.84547	1.0
67.05509	52.6
69.03422	2.1
69.07063	11.3
69.24895	7.5
69.25306	2.8
71.04977	3.4
72.48392	1.2
79.05496	28.4
81.03416	3.0
81.06598	2.0
81.07063	36.9
83.04967	4.0
83.08611	3.7
85.06551	23.6
91.05480	35.1
93.07049	31.3
95.01337	1.7
95.04378	2.1
95.04971	39.2
95.08611	23.0
97.06535	5.6
97.10181	1.6
99.08083	1.7
103.05485	1.7
105.07033	32.1
107.04955	7.1
107.08604	16.0
109.05801	2.1
109.06518	26.3
109.10165	7.8
111.08052	4.2
113.06012	100.0
115.05457	2.5
117.07017	19.5
119.08589	23.2
121.06505	4.8
121.10170	7.9
123.08070	5.5
123.11661	1.6
125.09594	2.4
125.85397	1.1
128.06245	3.1
129.07010	9.9
130.07784	1.6
131.08571	22.9
133.06491	2.0
133.10123	15.5
135.08076	18.1
135.11699	8.9
137.09596	1.3
141.06982	3.0
141.09120	3.7
142.07762	2.3
143.08598	9.5
145.06461	2.5
145.10126	18.1
147.08018	3.1
147.11691	11.1
149.09595	4.9
149.13225	4.5
154.07785	1.9
154.50204	1.2
155.08569	4.8
157.10132	12.8
159.08054	2.5
159.11707	13.9
161.09608	4.1
161.13264	8.5
163.11145	2.9
165.06909	1.7
167.08533	1.7
168.09314	1.7
169.10112	7.8
171.11697	11.9
173.09589	2.1
173.13249	7.1
175.11168	2.9
175.14819	4.6
177.12744	3.8
179.14311	2.3
181.10129	4.8
183.11728	7.3
185.13289	5.9
187.11162	4.0
187.14778	2.8
189.12753	1.2
189.16325	1.4
193.10135	1.6
195.11681	4.1
195.13632	2.1
197.13257	4.4
199.14871	5.3
201.12686	1.6
201.16428	1.6
203.14384	1.2
209.13225	4.7
211.14896	2.6
213.16344	2.6
215.17934	1.8
217.15900	7.1
221.13277	2.4
221.15405	1.6
223.13005	1.3
223.14951	2.3
225.16426	1.3
227.18062	1.9
237.16364	1.8
241.19583	5.7
255.17589	1.8
257.19003	2.6
259.20541	9.3
273.18491	13.3
275.20007	3.6
279.15909	8.9
291.19556	31.2
310.09982	1.2
327.26923	3.1
333.24298	11.9
347.22385	2.0
365.23282	8.5
371.56226	1.2
437.34164	3.2
450.64810	1.1
453.33228	1.5
495.34637	1.9
511.38428	2.4
513.36145	4.7
527.37085	1.9
529.38586	3.2
531.38013	3.8
549.39227	3.6
551.37152	2.4
565.38049	1.2
567.40021	2.8
569.38141	2.2
596.74451	1.2
605.41779	8.9
623.33466	2.2
623.43109	42.1
624.43176	1.5
641.44037	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.8
53.03945	12.2
55.01868	17.6
55.05267	4.8
55.05513	55.7
57.03440	14.7
57.07065	6.6
63.44548	2.3
67.05506	100.0
68.99780	3.8
69.03423	5.7
69.07072	40.5
70.75944	5.9
71.04992	6.3
73.66055	2.8
77.03919	4.9
79.05495	81.5
81.03419	8.0
81.07060	97.2
81.20628	2.6
82.33734	2.3
83.04981	14.8
83.08630	20.2
84.22637	2.3
85.06548	9.4
91.05484	94.7
93.07045	71.1
95.04977	21.6
95.08614	61.5
97.06525	16.6
97.10158	9.9
99.08083	4.7
103.05456	4.1
105.04507	3.1
105.07038	85.1
107.04982	12.6
107.08601	55.5
109.06521	15.6
109.10165	38.4
111.04498	3.7
111.08073	13.2
113.06004	7.9
113.09639	3.2
115.05428	5.9
116.55204	2.7
116.88094	2.2
117.07020	37.5
119.08578	56.0
121.06519	8.6
121.10144	26.3
123.08075	10.7
123.11690	9.0
125.06009	3.1
125.09634	5.5
128.06236	7.4
129.07013	23.3
129.15208	2.4
130.07784	3.4
131.08574	47.9
133.06497	11.4
133.10138	69.9
135.08057	12.4
135.11703	19.6
137.09648	8.6
139.07547	6.8
141.06989	6.4
142.07791	5.6
143.08566	33.1
145.06461	3.8
145.10124	47.0
147.08058	10.5
147.11676	28.2
149.09633	11.7
149.13260	10.6
151.07518	3.2
151.11192	14.6
155.08592	17.7
156.09389	3.8
157.10165	26.3
159.11702	36.1
161.09610	6.4
161.13258	19.6
163.11148	3.9
163.14920	2.9
165.07080	2.8
165.12737	3.0
167.08577	7.2
169.10103	16.8
169.12268	3.5
171.08037	3.2
171.11702	32.5
173.09781	3.8
173.13268	20.2
175.11240	5.5
175.14851	10.4
177.12799	5.1
179.08684	4.3
179.14330	3.5
181.10165	9.9
183.11690	15.3
185.09590	5.5
185.13222	18.3
187.11282	6.4
187.14819	8.4
189.12766	6.2
193.10252	3.1
195.11731	11.0
195.13789	5.7
197.13255	10.6
199.11197	4.6
199.14886	12.9
201.12720	3.1
201.16420	4.3
205.10048	3.5
207.11693	5.8
209.13347	8.1
211.14809	9.4
213.12709	3.1
213.16420	6.0
217.15836	3.2
221.13251	5.7
223.14830	5.6
225.16362	4.0
227.18111	3.2
233.84871	2.7
235.14836	3.2
237.16479	5.5
239.17891	6.6
241.19574	19.2
245.19057	5.5
253.14366	13.4
257.18982	7.2
259.20651	24.0
263.20264	5.2
273.18524	15.1
275.20093	15.3
287.20126	3.9
289.18256	4.0
289.21597	2.9
291.19522	21.8
299.20047	2.7
313.21695	3.3
315.23206	3.9
333.24344	17.9
347.22479	4.1
349.23810	9.9
353.28671	3.2
365.23199	15.7
391.30148	3.3
409.30905	11.7
427.32248	2.9
455.31885	4.0
483.34680	5.0
487.34341	20.0
501.35797	25.3
503.37912	6.8
511.34137	6.6
513.37128	6.1
525.35559	5.0
529.35303	8.7
531.38116	12.6
543.36731	7.0
549.39368	9.5
560.51227	2.7
567.39917	5.2
595.43463	5.8
605.42175	12.5
613.44080	2.5
623.43146	68.1
641.44177	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
55.01886	14.5
55.05513	45.3
57.03437	8.3
57.07079	6.2
65.03947	4.8
67.05512	82.1
69.03427	7.7
69.07072	34.6
69.81406	11.9
71.04995	5.3
71.08616	3.5
73.26323	2.6
73.92671	2.3
79.05499	71.8
81.03426	4.9
81.07062	100.0
83.04987	8.8
83.08627	20.9
85.06557	4.9
91.05482	73.5
93.06481	5.0
93.07053	75.7
95.04964	11.7
95.08617	59.4
97.06522	14.4
97.10188	9.5
99.08104	3.9
100.36946	2.4
105.04477	3.3
105.07038	73.8
107.04955	9.3
107.08599	50.6
109.06522	10.3
109.10181	32.7
111.04459	2.9
111.08105	8.5
115.05476	3.8
117.07020	26.7
119.08594	56.8
121.06514	8.7
121.10168	23.1
123.08095	9.4
123.11695	8.0
125.06019	4.5
125.09648	3.7
128.06221	7.6
129.07025	20.8
131.08574	43.3
133.06532	6.2
133.10135	58.7
135.08087	7.9
135.11716	25.3
137.09650	7.2
139.07590	4.2
141.06981	5.6
142.07840	2.9
143.08569	27.6
145.10139	40.1
147.08008	9.0
147.11688	29.2
149.09622	10.6
149.13278	8.5
151.11217	11.5
153.12766	2.9
154.07790	3.3
155.08571	15.3
157.10156	23.3
159.08101	3.0
159.11702	29.1
161.09665	8.5
161.13271	17.3
163.11201	5.1
167.08534	6.0
169.10100	14.9
171.11693	23.2
173.09636	5.3
173.13237	18.4
175.11205	7.0
175.14845	9.5
177.12801	3.8
179.08586	3.0
181.10127	8.6
183.11732	14.2
185.09595	3.5
185.13309	17.1
187.11180	3.7
187.14864	5.0
190.75856	2.3
193.10138	2.6
193.12268	3.4
195.11752	10.5
197.13226	16.9
199.14824	11.0
203.14296	2.7
207.11758	6.4
209.13272	12.3
211.14841	5.2
213.16441	6.4
213.65720	3.0
215.12772	2.6
215.18002	3.0
217.19490	3.0
219.17345	2.6
221.13289	3.8
223.14830	6.8
225.16451	5.4
227.18036	4.4
235.14902	3.4
241.19519	17.1
243.21410	2.9
245.19022	6.4
253.14211	13.9
257.19037	9.0
259.20645	26.1
263.20102	5.0
263.95096	3.1
273.18509	17.3
275.20139	16.8
277.21799	2.6
287.19989	5.1
289.18054	4.9
291.19476	16.4
305.22330	2.5
313.21954	3.1
315.23306	4.6
333.24286	18.9
365.23236	22.0
378.03714	2.7
391.30096	3.3
395.29401	3.6
404.90115	2.8
409.30954	7.9
427.31992	3.4
437.30377	3.4
455.46185	2.7
465.67935	2.8
483.34637	9.4
487.34271	14.7
501.35754	25.7
503.37997	3.4
511.34039	7.1
513.36578	5.9
525.35675	3.8
529.34943	8.6
531.38208	9.5
549.39160	8.5
562.09113	2.9
567.40228	6.4
587.39832	3.5
599.27722	4.5
605.41882	16.6
623.43152	50.9
641.44189	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	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13904	2.5
53.03952	11.4
54.25718	2.0
55.01878	15.4
55.05515	46.4
57.03448	14.7
57.07069	6.2
65.03954	5.1
67.05511	100.0
68.99792	4.1
69.03438	5.4
69.07070	36.8
69.26505	15.4
71.04993	9.1
71.08636	6.5
77.03931	3.4
79.05497	81.6
81.03409	7.9
81.07063	100.0
83.04989	15.0
83.08623	23.7
85.06541	4.9
87.04495	2.5
91.05487	88.7
93.07049	81.5
93.07932	2.7
94.41821	2.2
94.51254	2.1
95.04977	16.6
95.08616	63.1
97.06544	14.7
97.10174	9.3
99.08087	7.2
102.16663	2.3
103.05439	3.6
105.04563	2.3
105.07036	83.9
107.04966	8.9
107.08604	52.8
109.06497	11.6
109.10171	41.0
109.10849	4.2
111.04422	3.6
111.08089	14.4
113.06020	4.5
117.07042	31.7
119.08591	49.0
121.06526	8.1
121.10149	27.1
121.85359	2.2
123.08065	9.9
123.11701	8.3
125.09662	6.5
128.06227	4.3
129.07005	21.7
130.07793	2.7
131.08582	47.8
133.06485	5.4
133.10146	64.8
135.08076	8.0
135.11700	16.9
137.09596	6.7
139.07547	6.4
141.06998	5.4
143.08571	27.5
145.06488	3.5
145.10132	46.1
147.08038	9.1
147.11687	30.8
149.09613	6.8
149.13264	13.5
151.11189	11.3
155.08569	11.6
157.06564	3.0
157.10136	25.3
159.08101	4.7
159.11688	32.0
161.09633	7.8
161.13326	15.0
163.11205	6.9
163.14873	3.0
165.06969	3.3
167.08563	5.2
168.09378	3.4
169.10147	15.9
171.08069	4.4
171.11700	29.4
173.09659	6.9
173.13295	20.7
175.11172	5.6
175.14877	6.4
177.12781	5.9
179.08597	4.0
179.14297	9.6
181.10144	9.5
183.11702	12.8
185.09685	5.5
185.13271	18.3
187.11195	2.6
187.14861	9.4
189.12723	4.0
193.10173	3.9
195.11716	8.1
195.13774	4.3
197.09692	3.0
197.13263	13.9
199.11115	2.8
199.14883	10.4
201.12791	3.5
201.16336	4.1
207.11728	4.9
209.13327	7.7
211.14809	4.7
213.16432	7.5
215.17999	3.1
221.13448	3.6
223.14888	5.6
225.16383	7.7
227.17978	3.5
231.17467	3.6
231.21147	4.1
235.14874	5.2
237.16431	4.1
241.19583	13.4
243.21074	4.2
245.19142	6.4
251.17912	3.9
253.14212	19.7
255.17549	2.6
257.19022	8.1
259.20593	25.3
263.20123	4.1
273.18506	14.1
275.20181	6.0
277.21689	8.8
285.21835	2.4
287.19946	3.7
289.18079	7.6
291.19522	24.9
311.23578	2.7
315.23355	3.5
319.72250	2.5
333.24228	17.8
335.25870	8.8
341.24533	3.2
347.22321	3.2
349.24072	3.3
363.21951	3.2
365.23242	16.1
391.29868	4.4
409.30969	12.3
427.32129	4.8
451.32059	3.8
469.33514	5.2
483.34674	9.0
487.34256	21.8
501.35724	26.2
503.37643	5.2
505.43698	2.7
511.34055	8.5
513.36578	5.2
515.37573	4.3
525.35803	4.5
529.38214	12.4
531.37982	7.6
543.36633	4.3
549.39014	8.9
595.43353	6.5
605.41821	16.6
623.43164	59.0
641.43958	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
54.61068	1.7
55.01864	1.8
55.05514	14.3
57.03434	3.2
57.07077	4.2
57.12046	1.8
65.03960	2.1
67.05511	43.6
68.40260	1.7
69.07079	18.5
69.41116	14.3
71.05000	2.4
73.23024	1.8
79.05505	34.6
81.03426	2.3
81.07060	49.8
83.04966	6.1
83.08617	9.9
91.05486	31.8
93.07045	39.1
95.04985	7.6
95.08624	26.3
97.06524	4.8
97.10161	3.1
105.07047	17.6
107.04934	2.3
107.08604	21.5
109.06497	3.0
109.10146	6.7
111.08103	3.3
113.00031	8.2
117.07019	6.6
119.08588	11.6
121.10147	15.3
123.08109	3.8
123.11729	2.8
128.06313	2.2
129.07031	3.1
131.08598	10.9
133.10168	10.7
135.08095	2.3
135.11739	8.6
139.73889	1.7
143.08592	6.1
145.10143	10.8
147.11699	6.2
149.09683	2.9
149.13263	7.9
155.08505	2.3
159.11691	7.0
161.13277	5.9
169.02602	4.8
171.11687	3.2
173.13225	3.2
175.14856	2.4
177.12776	2.1
187.14890	2.6
195.13799	2.7
201.16341	2.2
207.13741	2.5
227.12584	2.3
227.17842	1.9
261.22086	4.4
265.19754	1.8
269.17496	6.2
275.20139	3.0
317.24664	4.4
419.33481	2.4
430.03168	2.2
437.34048	4.9
450.99890	2.0
455.35022	4.0
473.36148	3.8
511.37918	9.1
529.38953	100.0
530.39264	3.3
543.40961	11.2
602.64185	2.2
615.32404	1.9
623.36237	2.3
641.30579	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	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14840	2.2
53.03934	5.5
55.01855	8.8
55.05268	3.7
55.05510	39.6
57.03444	15.4
57.07077	62.3
64.79545	2.0
65.03938	2.6
67.05506	80.3
69.03419	7.1
69.07070	56.7
69.19141	22.3
71.04983	2.2
71.08634	44.6
79.05490	59.3
81.03403	2.8
81.06599	4.8
81.07059	79.3
82.45891	2.3
83.04980	7.3
83.08619	34.1
83.51032	2.1
85.06536	4.6
85.10174	25.7
89.06015	4.5
91.05479	44.1
93.06486	3.4
93.07045	45.4
93.08846	2.4
95.04963	8.6
95.08611	55.5
97.06530	11.7
97.10171	32.7
98.21460	4.9
99.08121	3.8
105.07034	45.6
107.04921	8.6
107.08591	47.1
109.06538	3.6
109.10135	25.9
111.08054	2.9
117.07034	15.9
119.08583	25.1
121.06484	2.6
121.10123	12.3
123.08048	5.3
123.11703	9.4
125.09641	27.3
129.07021	6.7
131.08572	17.3
133.10138	25.9
135.08043	7.7
135.11682	13.5
145.10127	19.4
147.11658	15.8
149.09602	14.3
149.13246	6.4
153.09068	3.2
157.10098	2.9
159.11668	10.2
161.13269	6.0
163.11153	10.0
169.10138	3.9
171.11649	4.1
173.13271	7.3
179.14223	4.2
189.11182	14.6
195.13713	2.7
197.13214	3.1
227.12782	81.9
229.14384	3.5
229.19498	3.8
239.17894	4.8
239.23581	4.3
255.16029	5.9
257.19009	17.3
257.24725	2.6
269.17413	9.9
275.20059	59.2
293.21112	4.9
313.27362	100.0
339.32501	3.7
340.32953	2.7
349.19800	4.0
349.23734	53.1
409.32904	9.6
444.22687	2.4
467.03345	2.8
467.36530	2.7
483.36584	8.5
491.40747	7.5
493.38940	13.2
507.40378	22.6
524.02045	2.6
524.43024	4.8
587.46783	38.3
604.49353	3.5
605.47827	5.1
640.35687	3.3
640.51129	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	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01868	1.9
55.05515	24.3
57.03431	4.3
57.06831	0.9
57.07082	11.6
65.03934	0.8
67.05508	18.8
69.03428	2.5
69.07072	7.6
71.08633	6.8
71.43060	1.0
74.21215	0.6
75.90005	0.6
79.05499	19.4
81.07059	14.7
83.04980	2.0
83.08624	13.8
85.06563	1.0
85.10188	4.6
89.06020	0.6
89.90591	0.7
90.97540	0.6
91.05493	7.3
93.07049	8.6
95.04946	0.7
95.08622	10.1
97.10178	29.4
101.09673	0.7
105.07041	8.1
107.04992	1.1
107.08603	27.4
109.10161	8.7
109.20174	0.6
111.08096	1.4
111.11671	1.0
117.07030	3.8
117.20147	0.6
119.06061	0.9
119.08579	3.9
121.06451	0.7
121.10151	1.8
123.11727	2.0
123.94373	0.6
125.09641	28.1
125.10572	1.4
129.07004	0.7
131.08556	2.4
133.10156	4.7
135.08069	3.0
135.11665	1.5
136.20757	0.7
139.68939	0.6
143.08571	1.1
145.10132	5.8
147.11685	3.0
147.35744	0.7
149.09637	2.0
153.09116	1.7
157.10132	1.0
159.11716	2.1
161.13191	0.9
163.11177	0.7
171.10245	3.3
171.11583	1.0
173.13263	1.2
183.11719	0.7
189.11229	14.9
197.13272	0.8
227.12798	100.0
228.13167	1.1
239.17902	1.3
239.23721	1.2
257.19028	6.6
275.20071	20.0
275.79294	0.7
313.27386	30.4
331.22528	3.1
349.23734	17.5
429.42715	0.6
483.36917	8.7
505.39059	1.0
587.46716	19.9
610.64832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05424	0.9
53.03951	2.2
54.85940	0.9
55.01865	2.7
55.05513	17.4
57.03445	4.5
57.07082	5.1
59.51699	0.9
65.03931	1.4
65.23999	0.9
66.66129	0.9
67.05508	33.6
69.07071	18.3
69.23138	8.6
71.08634	2.9
79.05497	18.7
81.03420	1.3
81.07058	32.0
83.04987	1.5
83.08626	8.6
85.10175	1.4
91.05481	19.5
93.07050	21.0
95.04986	1.7
95.08617	25.6
97.06548	3.7
97.10171	4.6
103.05486	1.2
105.04527	1.0
105.07028	21.6
107.04980	1.3
107.08598	16.2
108.34008	1.0
109.06528	1.5
109.10167	11.8
111.08082	1.7
111.11734	1.2
115.05461	1.1
117.07015	10.8
119.08582	17.1
121.10156	8.4
123.11697	2.4
128.06192	1.0
129.06985	9.7
130.38939	0.9
131.08580	19.2
133.10135	11.8
135.08093	1.5
135.11691	6.6
137.09598	1.2
137.13266	1.3
141.06985	4.1
142.07758	1.3
143.08565	12.0
145.10127	17.4
147.11697	6.7
149.13275	3.7
151.14851	1.0
155.08559	8.1
156.09288	1.5
157.10143	13.1
159.11687	11.5
161.13293	3.9
163.11407	1.0
163.14870	1.3
167.08604	2.1
168.09311	0.9
169.10170	10.0
171.11682	10.0
173.13278	8.5
175.14946	1.2
179.14352	1.9
181.10141	4.2
183.11711	9.2
185.13275	6.0
187.14833	5.4
189.16426	2.1
191.18010	1.3
195.11751	3.8
197.13255	6.6
199.14850	6.5
201.16460	3.9
207.17555	2.0
209.13287	3.4
211.14865	6.0
213.16441	4.3
215.18005	2.9
223.14777	2.6
225.16446	3.0
227.18010	3.7
229.19524	2.6
237.16440	1.7
239.18004	2.5
241.19835	1.4
243.21100	1.8
249.16469	1.0
251.18225	1.7
253.19725	1.4
255.21400	1.2
257.22751	1.1
265.19495	1.1
275.20218	1.4
291.19644	1.2
339.26788	2.0
349.23752	1.2
351.26440	1.3
353.28415	1.2
367.30054	3.0
370.10733	1.1
381.31595	2.2
527.37164	4.0
529.44330	2.6
541.38269	1.3
547.44965	9.1
565.45972	6.6
569.42529	1.3
583.47394	1.7
607.24481	1.2
621.48895	10.9
639.27808	3.9
639.49866	100.0
640.49957	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	639.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01865	3.4
55.05517	20.6
57.03447	4.6
57.07075	6.4
63.46329	0.9
65.03938	3.0
67.05511	37.5
69.03425	1.7
69.06726	1.6
69.07074	20.2
69.24512	7.8
69.24936	1.9
71.08635	4.3
73.69630	1.0
77.03920	1.3
79.05065	1.9
79.05500	26.9
81.03434	1.7
81.07066	38.6
82.99576	1.1
83.04991	2.9
83.08619	8.2
83.48202	0.9
85.06565	2.5
85.10171	1.4
87.98952	1.0
91.05487	25.9
93.07049	27.8
95.04977	3.3
95.08615	31.9
96.81831	1.1
97.06529	4.5
97.10163	6.4
99.08115	1.3
103.05494	1.2
105.04526	1.8
105.07040	28.1
107.04965	2.2
107.08606	17.2
109.06556	1.9
109.10159	13.3
110.95837	1.0
111.08113	2.3
111.11665	1.1
112.99998	1.4
115.05457	2.4
116.06287	1.3
117.07035	15.4
119.07832	0.8
119.08592	23.0
121.06540	1.9
121.10166	11.3
123.08045	1.6
123.11723	3.7
125.09637	2.6
125.34130	0.9
128.06227	4.6
129.07027	13.1
130.07841	1.4
131.08574	26.0
133.06595	1.0
133.10143	15.5
135.08083	1.7
135.11693	6.1
137.09630	1.3
141.07059	5.8
141.95740	1.2
142.07813	3.5
143.08571	21.6
145.10138	23.8
146.05446	1.3
147.11687	8.4
149.09674	2.0
149.13254	5.2
151.11229	2.2
154.07797	1.2
155.08569	12.7
156.09329	1.8
157.10138	20.9
157.11325	1.6
159.11694	16.4
161.13268	5.8
163.14880	1.9
167.08620	3.9
169.10143	13.7
170.11017	1.4
171.08141	1.2
171.11722	16.6
172.12343	1.2
173.13261	10.2
175.14876	3.7
179.08577	1.7
179.14305	1.5
181.10078	4.8
183.11700	11.8
185.13268	11.3
187.11192	1.5
187.14850	5.3
189.16386	1.7
195.11803	5.5
197.13222	8.8
199.14798	8.0
201.16426	5.5
203.18025	2.3
205.19769	1.0
207.11839	1.4
209.13292	4.8
211.14810	7.2
213.16519	5.0
215.18051	3.0
217.19667	1.3
223.14900	2.4
225.16414	4.7
227.18040	4.4
229.19554	3.0
237.16484	2.7
239.18053	3.9
241.19579	3.5
243.21245	3.2
253.16022	1.1
253.19475	2.8
255.21242	2.6
256.88168	1.1
257.19077	1.2
257.22745	1.2
267.21213	3.0
273.18561	2.0
275.20209	3.9
281.22745	1.2
285.22318	1.1
291.19565	1.5
295.24591	1.3
311.23660	1.2
325.25372	1.8
351.26764	1.5
381.31848	1.8
395.33478	1.7
433.34857	1.2
471.35236	1.1
477.37103	2.7
479.38898	1.2
527.37329	7.8
529.44440	3.1
541.38525	1.7
547.45294	14.0
565.46039	9.8
603.47662	2.6
621.48804	15.5
639.49963	100.0
640.50330	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.7
53.03951	9.0
55.01878	21.2
55.05268	2.2
55.05515	32.8
56.58271	1.5
57.03441	29.5
57.07087	3.2
59.45004	1.5
65.03945	8.4
67.05511	91.3
69.03435	4.4
69.07073	46.5
69.31753	12.7
71.04446	2.7
71.04989	6.7
72.08723	1.6
72.96705	1.3
77.03922	2.4
79.05499	70.3
81.03423	9.4
81.07061	70.1
83.04568	1.6
83.04974	11.2
83.08620	14.0
85.06549	21.6
86.27570	1.4
91.05488	79.6
93.07050	54.4
95.01358	2.3
95.04976	61.3
95.08612	40.6
97.06538	25.0
97.10164	9.9
98.21552	3.2
99.04446	2.3
103.05499	2.7
105.04558	3.7
105.07036	70.0
107.04290	2.8
107.04961	24.3
107.05634	2.1
107.08600	44.9
109.06522	73.9
109.10164	15.8
111.08046	3.4
113.06015	55.0
113.09662	5.2
115.05458	4.2
117.07030	37.0
119.04929	2.3
119.08588	48.6
121.06513	11.7
121.10136	13.1
123.08087	9.0
123.11708	2.5
125.09656	5.3
125.65831	1.4
128.06230	6.0
129.07005	19.1
129.07819	2.1
130.07800	3.3
131.08582	44.0
133.06520	6.5
133.10136	33.1
135.08057	49.6
135.11691	14.7
137.05991	1.9
137.09647	6.5
141.07016	8.2
143.08557	18.6
144.09355	3.1
145.06522	6.3
145.10129	34.1
145.11285	1.7
147.08049	10.7
147.11713	14.9
149.09628	23.1
149.13290	6.4
151.11195	3.7
153.07002	1.7
155.08562	9.4
156.09419	1.8
157.06656	1.5
157.10138	15.5
159.08070	8.3
159.11711	23.6
161.09648	13.7
161.13266	8.3
163.11203	18.2
165.06906	1.8
165.09172	3.0
167.08598	4.4
169.10132	11.6
171.08217	1.9
171.11700	12.5
173.09656	5.4
173.13295	10.9
175.11250	6.0
175.14926	2.8
177.12723	7.9
179.08594	2.7
179.14352	15.1
181.10147	7.0
183.11679	7.7
185.09579	2.1
185.13304	6.8
187.11212	5.8
187.14845	3.4
188.59840	1.4
189.11224	2.1
189.12860	3.1
193.10097	1.8
193.12349	1.6
195.11810	2.8
195.13892	4.1
197.13278	7.8
199.11177	2.7
199.14876	7.0
201.12839	5.0
203.14375	2.3
205.12375	3.0
207.11755	2.4
209.13292	3.2
211.14827	3.9
215.14307	1.9
217.15883	17.9
217.19548	1.4
219.11832	1.9
219.13817	2.4
219.17506	1.9
221.13380	2.1
221.15648	1.8
225.12769	1.7
225.16280	1.5
227.12755	3.6
227.18019	2.7
229.19519	2.9
233.15417	3.1
235.14874	2.1
237.16351	3.5
239.18004	4.7
245.19057	3.1
247.20674	2.7
251.22133	1.6
255.17513	5.2
257.19022	14.0
259.20685	2.9
273.18497	45.2
275.20074	35.9
279.15976	4.7
289.18033	5.3
291.19553	100.0
292.19815	1.8
293.21173	2.6
329.20963	2.1
331.22824	3.1
333.24448	1.7
347.22192	11.6
349.24005	7.7
365.23282	4.4
511.35571	2.1
529.36639	3.8
546.31604	1.8
547.37921	3.5
565.39172	2.1
603.40338	2.3
621.41846	24.1
639.42603	64.8
640.43127	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.7
53.03940	10.8
55.01875	18.0
55.05271	2.0
55.05517	31.5
55.68948	1.5
57.03439	23.6
57.07078	4.3
65.03936	9.6
67.05508	100.0
69.03434	5.3
69.07072	30.6
71.04442	2.0
71.05022	8.6
71.08612	1.7
74.09991	1.7
77.03916	1.6
78.04714	1.8
79.05497	78.9
80.06300	2.4
81.03425	15.9
81.07059	86.7
83.04971	16.1
83.08632	14.3
85.06544	11.6
91.05484	96.0
93.07047	72.8
94.04224	2.0
95.01334	5.8
95.04967	43.3
95.05566	2.6
95.07991	2.8
95.08607	55.0
97.02899	3.2
97.06526	16.0
97.10172	8.3
98.21487	4.9
99.08057	2.4
103.05474	5.7
105.04579	2.8
105.07037	76.0
107.04963	44.9
107.08597	37.9
109.06523	34.0
109.10160	19.9
110.07346	1.9
111.04443	3.3
111.08102	6.2
113.06000	17.7
115.05473	8.6
116.06235	1.7
117.07021	43.9
119.04955	4.0
119.08584	46.5
121.06526	10.9
121.10139	20.2
122.07310	5.8
123.04485	4.1
123.08071	10.9
123.11739	4.1
125.05981	2.4
125.09640	3.5
125.46632	1.6
128.06229	10.6
129.07014	24.2
130.07784	3.2
131.04919	3.0
131.08571	45.9
133.06500	13.2
133.10150	35.1
135.04413	1.9
135.08067	23.1
135.11702	18.6
137.09633	4.7
141.06996	13.1
142.07790	4.5
143.08582	21.6
144.09277	1.7
145.06534	10.9
145.10138	32.7
147.08060	14.1
147.11691	20.7
149.09636	10.0
149.13277	9.7
151.07588	3.3
154.07816	3.3
155.08589	13.5
156.09377	2.5
157.06549	2.2
157.10139	18.9
158.10802	1.5
159.08101	7.8
159.11691	25.8
161.09616	13.2
161.13246	8.0
162.10365	2.2
163.11198	7.8
165.06955	2.4
165.09134	2.4
167.08650	4.7
169.10146	12.3
171.08060	1.8
171.11682	17.2
173.09665	4.6
173.13283	12.5
173.57567	1.6
175.11179	6.6
175.14857	3.2
177.12709	8.1
179.08588	1.9
179.14424	4.8
181.10199	7.4
183.11671	8.8
185.09686	3.6
185.13278	7.4
187.11238	9.4
187.14911	5.3
189.12782	3.6
191.14369	1.7
193.10152	2.9
195.11778	5.4
195.13786	3.0
197.09662	2.0
197.13295	6.7
199.11223	4.0
199.14873	4.6
201.12782	4.1
201.16512	2.7
203.14398	3.6
205.10124	1.7
205.12308	3.3
205.15974	3.3
207.11771	2.4
209.13258	4.3
211.11191	1.8
211.14859	3.1
213.16524	2.2
215.14334	2.2
215.18246	1.9
217.15932	5.8
219.11674	1.6
223.13242	3.5
225.16374	1.5
233.15384	9.2
237.16402	3.6
239.18047	3.5
241.14270	3.6
241.19595	4.1
245.19089	2.1
247.14967	2.1
255.17442	4.1
257.19049	5.8
259.20682	3.7
261.14978	2.8
273.18506	21.2
275.20074	28.6
279.16006	5.5
289.17938	2.6
290.18921	3.9
291.19537	35.3
315.23239	6.6
328.56458	1.8
331.22638	2.0
343.26355	1.8
347.22336	6.2
349.23935	3.4
353.24655	2.4
381.23022	3.3
473.34201	2.5
529.35895	2.4
547.37604	3.0
565.38849	5.3
581.38464	3.9
585.22180	1.8
593.38348	11.0
603.40918	1.8
621.41571	14.1
639.42578	61.0
640.43207	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.8
55.01626	1.7
55.01875	6.7
55.05269	2.0
55.05513	21.8
57.03442	9.4
59.04984	2.4
65.03937	4.9
67.05510	76.9
69.03435	18.8
69.07072	15.5
71.01357	1.7
71.04996	34.4
79.05499	44.8
81.03424	53.8
81.07061	100.0
83.04989	16.8
83.08620	13.0
85.02906	9.4
85.06536	6.6
87.04466	2.0
91.05488	42.5
93.07050	51.4
93.07639	2.7
95.04967	11.5
95.08612	25.1
97.02905	12.7
97.06541	12.5
97.10183	7.1
98.21518	3.8
99.04454	5.8
99.08092	2.0
105.04507	1.7
105.07043	21.6
107.04946	6.1
107.08604	29.2
108.69817	1.3
109.02898	14.5
109.06499	6.0
109.10165	10.1
111.04470	6.8
111.08073	5.4
113.05978	2.0
117.07024	11.0
119.08586	12.0
121.06512	3.5
121.10155	16.4
122.65201	1.4
123.08070	2.7
123.11686	8.8
125.09642	5.5
127.03928	11.2
128.06276	2.4
129.07016	5.4
131.04881	1.8
131.08565	14.9
133.06499	3.0
133.10126	18.8
135.08029	3.6
135.11684	10.9
143.08540	3.6
145.06444	2.4
145.10143	5.2
147.08066	3.3
147.11711	10.2
149.09578	1.8
149.13283	17.7
151.11180	5.3
153.12706	2.0
157.10100	3.5
159.08037	1.8
159.11687	14.0
163.11201	6.0
165.12767	4.3
167.08501	1.6
169.10162	2.9
169.12259	2.0
171.06664	1.9
171.11702	3.5
173.04494	11.7
173.11757	2.1
173.13277	2.5
177.12790	8.1
181.12230	2.0
183.13722	2.3
185.13293	2.2
187.11720	1.4
187.13261	9.1
189.11212	2.3
191.10603	1.9
193.12215	1.8
195.13783	11.5
201.14873	2.2
209.11646	3.8
213.14853	2.6
227.12817	6.2
229.14371	2.1
250.53201	1.4
251.16415	2.2
253.18045	1.5
267.15897	3.0
269.17484	10.6
273.18503	2.3
275.20038	4.2
276.44812	1.6
283.15622	3.6
283.18820	2.7
285.14685	2.2
291.19531	2.8
303.15750	2.0
305.20758	1.5
310.08231	1.5
321.16873	2.8
339.17883	6.4
349.23883	1.6
368.66595	1.8
377.19537	2.2
379.21411	1.5
395.20667	4.1
414.22287	1.5
421.29623	2.5
423.27551	3.5
435.31012	1.9
437.29053	18.8
439.27887	1.5
451.30444	6.2
453.32123	2.2
461.28836	1.5
463.30475	3.7
477.28241	2.9
495.33258	3.4
563.31519	2.2
607.34973	10.9
621.32245	4.0
639.36249	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	639.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.4
51.35905	1.2
52.75788	1.2
53.03947	10.3
55.01874	5.9
55.05510	23.6
57.03444	9.7
57.07071	2.2
62.61520	1.4
65.03948	3.4
67.05505	80.5
67.45496	1.3
69.03436	20.4
69.07069	20.4
69.32640	6.3
69.33062	4.8
69.46895	1.2
71.04991	32.8
73.02919	2.4
76.09182	1.3
79.05495	50.9
81.03421	49.4
81.07057	100.0
83.04980	15.7
83.08619	16.8
85.02895	10.1
85.06538	6.6
91.05481	43.2
91.62179	1.6
93.07047	49.1
93.07643	2.8
95.04965	13.8
95.08608	26.5
97.02892	14.3
97.06543	11.5
97.10171	5.1
98.20767	2.1
99.04445	6.7
99.08063	4.1
101.02464	1.3
102.74165	1.5
105.04507	2.6
105.07037	23.7
107.04980	9.3
107.08595	31.0
107.86870	1.2
109.02887	11.7
109.06526	7.2
109.10152	14.1
111.04453	9.0
111.08049	6.4
113.06011	2.0
117.07016	14.1
119.08568	10.1
121.06496	5.5
121.10126	17.5
123.08059	3.5
123.11713	9.5
125.09649	5.5
127.03925	10.4
128.06209	1.4
129.07022	5.5
131.08582	13.5
133.06500	2.5
133.10135	18.6
135.08063	4.0
135.11690	10.5
139.11154	2.4
141.07022	1.8
143.08531	2.2
143.10669	1.6
145.06523	2.0
145.10155	6.4
146.75740	1.5
147.04420	1.5
147.08072	2.6
147.11700	8.6
149.09573	3.0
149.13254	23.2
151.11189	4.6
153.12785	2.4
157.10141	4.1
159.08037	1.8
159.11699	13.0
161.09656	1.9
161.13304	2.7
163.11163	5.2
165.12778	3.1
171.06572	3.0
171.11694	2.4
173.04442	15.6
173.05827	1.9
175.11243	2.5
177.12703	8.2
181.12256	2.2
183.13821	3.7
187.13332	5.2
189.11285	2.1
193.12292	3.7
195.13835	13.3
201.14821	2.0
209.11696	4.7
211.13362	2.0
213.14844	3.6
214.66872	1.7
227.12692	7.5
267.15994	2.6
269.17435	10.8
273.18597	2.4
283.15451	2.0
283.19104	2.2
291.19666	1.6
297.16852	2.2
299.18524	2.1
303.15839	3.4
321.17017	2.6
339.18063	6.6
347.22015	1.7
353.16052	2.3
377.19617	2.5
395.20602	3.4
415.87357	1.3
421.29449	2.6
423.27362	3.4
435.31250	1.8
437.29034	18.5
451.30832	8.6
453.32233	2.1
459.27026	2.0
460.74426	1.5
463.30475	4.0
477.28442	4.9
495.32730	4.8
572.67847	1.5
607.34509	10.0
621.32648	3.6
621.41772	1.7
639.35974	26.6
639.52148	1.7
640.36249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.7
53.03952	10.2
55.01876	17.4
55.05515	43.2
57.03442	19.9
57.07058	3.5
59.05010	2.7
59.80201	1.7
61.88626	2.1
65.03947	7.3
67.05511	100.0
69.03438	37.7
69.07070	33.1
69.23432	18.5
71.01355	4.1
71.05006	14.3
73.02922	2.7
78.79273	1.9
79.05499	73.8
81.02942	2.5
81.03424	87.2
81.07063	99.9
83.04990	25.1
83.08626	25.6
85.02904	18.0
85.06550	8.9
87.04459	2.4
91.05492	63.0
93.07050	69.8
95.04977	30.2
95.08612	42.7
97.02894	27.6
97.06540	16.8
97.10183	14.0
99.04454	9.2
99.08087	2.8
103.05472	3.4
105.04528	2.2
105.07045	40.2
107.04951	18.8
107.08600	45.3
109.02898	26.6
109.06521	19.7
109.10163	32.1
111.04453	12.8
111.08091	9.0
113.06016	7.5
115.05476	4.1
115.98257	1.7
117.07034	22.8
117.28607	1.8
119.04948	3.5
119.08586	34.2
121.06515	12.3
121.10148	25.6
121.10938	2.7
123.04439	4.9
123.08070	5.9
123.11736	5.4
125.06076	2.7
125.09638	19.9
127.03931	19.5
128.06248	3.7
129.05493	4.2
129.07011	8.6
131.08580	25.0
132.93982	2.1
133.06517	5.8
133.10153	18.9
135.04466	2.5
135.08092	11.2
135.11705	20.0
137.05995	3.3
137.09668	6.4
141.07013	4.1
142.07829	4.1
143.08598	10.1
145.06477	5.7
145.10135	19.3
147.08067	6.2
147.11687	14.3
149.09648	11.7
149.13269	16.1
151.11192	3.5
153.12747	7.5
155.08568	4.6
155.10791	2.1
157.10112	9.3
159.08112	3.1
159.11668	17.2
161.06129	2.2
161.09641	9.4
161.13297	4.3
163.03928	2.0
163.11180	19.7
165.12749	3.0
167.08572	2.8
169.10187	5.8
171.06548	2.8
171.08076	2.3
171.11685	5.3
173.04480	26.5
173.09621	7.0
173.11873	2.9
173.13290	2.1
177.12788	6.5
179.03398	2.0
179.14284	4.0
181.12271	6.1
183.06561	3.1
183.11768	4.4
185.13287	3.7
187.11235	3.0
189.09056	2.4
189.11249	5.1
191.10693	8.6
193.10150	1.9
193.12285	5.3
195.13812	10.6
197.13281	4.0
199.14720	2.1
201.12790	2.8
201.14874	1.9
203.14255	2.8
209.11725	16.3
209.13472	2.3
211.13252	2.6
213.12811	2.6
217.15941	3.9
225.11163	4.3
227.12802	24.8
229.14352	3.7
233.15514	2.7
241.14308	2.3
253.17892	2.8
265.14365	3.6
265.26294	2.0
267.15958	4.3
269.17477	14.5
273.18582	17.0
275.20105	13.3
283.15378	5.7
291.19510	21.1
303.15945	2.6
335.15103	2.4
339.18323	2.0
347.22031	3.8
353.15970	7.7
370.75537	2.3
377.19659	2.4
403.99304	2.0
409.18509	1.9
423.27036	9.1
427.19608	4.6
437.29263	2.6
449.29257	2.7
453.28397	3.3
459.27341	4.2
477.28439	16.7
495.29810	6.1
524.89343	2.3
544.18555	2.2
595.30792	2.4
603.31635	2.4
621.32538	9.7
621.41498	5.6
639.33423	39.6
639.42712	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.8
55.01876	5.3
55.05521	17.4
57.03446	10.4
65.03922	2.0
66.60834	1.9
67.05514	28.5
69.03438	17.6
69.07059	5.7
70.56091	3.8
70.56445	4.5
71.04988	7.0
79.05498	26.8
81.03427	100.0
81.07063	29.5
83.04987	21.4
83.08624	21.4
85.02919	23.7
91.05494	32.5
93.07058	17.4
95.04982	28.0
95.08611	10.8
97.02898	9.6
97.06521	4.9
97.10155	5.5
99.04459	4.6
99.08087	2.4
102.43543	1.7
105.04574	2.0
105.07046	24.2
107.04948	7.6
107.08598	12.2
109.02885	16.2
109.06496	3.5
109.10150	4.7
111.04449	14.4
111.08064	10.8
117.07044	4.6
119.08608	23.3
121.06480	3.8
121.10168	13.8
122.98268	1.7
123.08115	3.1
123.11761	2.3
125.09608	3.9
127.03947	10.4
129.06975	8.4
131.08597	13.0
133.06494	4.2
133.10126	8.1
135.08080	3.2
135.11726	3.4
145.10132	5.3
147.04289	2.1
147.08038	3.8
147.11728	16.4
148.99063	1.9
149.09593	5.4
153.09027	2.0
155.07359	1.7
157.10135	10.3
163.11179	5.6
165.12776	4.1
172.53990	1.9
173.04472	2.5
175.11208	12.4
181.12247	3.4
193.12267	39.7
203.70238	2.1
209.11774	2.2
211.13303	68.2
227.12784	6.1
229.14299	3.8
235.13304	2.3
267.15958	17.7
273.15051	2.6
283.15479	2.0
285.17017	8.9
301.14426	6.7
337.16425	4.5
355.17477	5.9
385.23816	5.4
411.20020	3.8
429.21155	3.9
459.27267	9.0
477.28571	13.1
495.29675	12.3
573.30005	2.2
578.05511	2.4
585.30164	3.5
603.31671	4.3
621.33093	13.3
639.33740	42.6
640.33606	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	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.6
55.01860	11.7
55.05515	30.5
57.03447	15.2
57.07074	2.5
59.04994	2.8
61.02909	4.1
65.03928	4.0
67.05508	100.0
69.03147	2.3
69.03436	23.2
69.07076	20.4
70.90580	5.7
71.05000	12.2
79.05496	50.4
81.03422	49.6
81.07063	55.1
83.04541	2.2
83.04971	15.1
83.08632	22.7
85.02908	17.0
85.06539	5.5
91.04978	3.7
91.05489	46.8
93.07056	48.3
95.04975	16.4
95.08618	24.7
97.02914	18.3
97.06528	8.5
97.10140	7.0
99.04441	4.9
103.05430	4.4
105.07034	28.4
107.04948	10.6
107.08616	23.0
109.02880	15.6
109.06507	7.4
109.10161	39.5
111.04445	9.5
111.08070	8.1
113.97527	2.9
115.05464	4.7
117.06356	3.0
117.07035	34.5
119.04939	8.2
119.08577	26.4
121.06501	9.0
121.10155	12.8
123.04404	4.1
123.08079	4.0
123.11739	3.6
125.09636	5.6
127.03919	10.8
128.06204	7.3
129.05502	3.9
129.07011	30.6
131.04936	4.6
131.08585	24.2
133.06471	6.1
133.10146	13.4
135.08073	7.5
135.11667	6.6
137.09625	6.9
140.08896	2.5
141.06999	8.3
142.07742	2.5
143.08597	12.8
145.06531	6.3
145.10115	9.8
147.08047	12.6
147.11673	8.0
149.09686	12.6
149.13269	7.6
153.12712	5.7
154.07790	3.1
155.08559	4.0
155.10773	3.2
157.06517	2.5
157.10153	7.7
159.08015	2.7
159.11650	5.2
163.11150	9.1
165.06917	3.5
167.08534	6.5
169.10133	6.3
171.11719	7.2
173.04433	13.8
173.09547	5.1
173.11794	12.1
173.13060	4.3
175.11130	3.7
177.12769	3.5
181.12222	4.2
185.13301	13.2
187.14865	2.7
189.11227	3.3
191.10606	6.1
195.11667	8.6
195.13536	3.8
203.14270	4.0
207.13803	2.6
209.11729	19.6
213.11099	5.1
213.12770	28.5
215.14230	7.0
227.12785	11.3
229.14316	32.5
231.13762	23.9
245.13666	2.8
249.14851	3.9
267.15738	3.2
269.17416	6.8
283.15472	4.8
305.17496	18.3
367.22821	3.6
385.23453	3.2
449.28809	3.2
459.27301	22.3
477.28622	23.5
495.29745	4.9
603.32178	3.3
621.32520	11.3
639.33777	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	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.32826	0.5
51.36734	0.5
53.03942	1.8
55.01875	2.9
55.05512	6.8
57.03444	3.1
65.03939	1.2
67.00336	0.5
67.05508	18.4
69.03427	2.1
69.07074	6.4
71.04999	1.5
71.51628	0.7
74.15796	0.4
74.78824	0.5
79.05070	0.9
79.05498	13.4
81.03426	3.6
81.06586	0.9
81.07059	13.7
83.05010	2.4
83.08625	2.9
85.06549	1.4
89.67142	0.4
91.05489	13.7
93.07047	10.0
95.01346	0.9
95.04968	8.9
95.08615	7.8
97.02878	0.9
97.06534	3.6
97.10174	2.2
99.04470	0.7
99.08111	0.8
103.05482	0.7
105.04523	0.9
105.07037	11.0
107.04955	4.2
107.08607	7.3
108.55209	0.4
109.06520	5.2
109.10157	3.6
111.04435	1.0
111.08058	1.4
113.06010	1.8
115.05499	1.0
117.07020	6.2
119.08589	11.4
121.06509	1.8
121.10150	3.5
123.04420	0.7
123.08092	1.4
123.11733	0.9
125.09655	2.2
128.06224	1.2
129.06996	4.1
131.08580	5.4
133.06497	1.1
133.10133	6.9
135.08072	2.4
135.11690	2.9
137.09608	1.2
141.07007	1.1
142.07797	0.6
143.08554	3.8
145.06543	1.4
145.10115	4.8
147.08096	2.1
147.11685	4.4
149.09636	1.8
149.13275	1.6
151.11226	0.9
155.06013	0.6
155.08603	1.5
157.10127	2.7
159.08038	2.3
159.11685	4.4
161.09639	2.1
161.13283	1.6
163.11234	2.0
165.06995	0.5
169.10126	2.0
171.11702	3.1
173.09668	0.9
173.13287	1.4
173.84514	0.5
175.11240	1.1
175.14749	0.5
177.12762	1.1
179.08798	0.5
179.14275	1.2
181.10185	1.2
183.11766	1.7
185.13307	1.1
187.11284	1.0
189.11304	1.3
193.10233	0.7
193.12257	0.7
195.11746	1.4
197.13286	1.2
199.11049	0.6
204.06558	0.5
209.13354	0.9
211.14886	0.8
213.10652	0.5
217.15945	1.2
227.12839	1.3
229.19490	0.6
237.16412	0.5
241.19571	0.7
243.10437	0.5
245.19087	0.6
247.20602	0.7
255.17560	0.8
255.43953	0.6
257.19098	2.2
271.17075	0.7
273.18570	5.0
275.20090	6.4
289.18259	0.9
289.96088	0.5
291.19556	8.4
301.16342	0.5
314.12973	0.6
326.13144	0.5
328.14508	0.5
347.22241	1.2
348.43771	0.5
349.23761	1.6
377.28568	0.7
405.17160	1.0
407.18857	2.6
419.14200	0.6
419.19009	0.7
421.20569	5.2
422.20956	1.4
423.22055	1.1
431.18991	0.7
433.15552	0.7
433.20273	1.8
434.16684	0.7
434.21658	0.6
435.17447	2.9
436.22678	2.1
445.16528	1.0
447.22406	0.7
448.18872	2.7
449.19705	8.1
450.20685	2.2
451.21066	0.6
456.29520	0.6
459.17813	1.1
461.19742	1.1
462.20822	0.9
463.21600	4.9
464.22128	5.1
474.20795	0.9
475.21100	2.1
477.18951	6.6
478.20166	1.7
491.20306	0.8
492.21591	1.1
493.22217	0.9
496.53265	0.6
505.22421	1.1
507.23941	1.3
509.26208	0.6
519.23041	0.6
521.21747	0.9
523.23059	2.4
533.21948	1.0
535.23950	3.3
536.24329	0.8
537.21655	1.0
547.23016	0.7
551.26550	2.2
561.24841	2.8
563.23004	0.8
564.23798	4.1
565.24542	2.2
579.26050	7.3
581.23944	0.9
595.25470	3.0
596.26123	1.4
597.27252	1.4
607.25366	1.1
610.27179	0.6
621.27106	4.9
621.41498	4.3
624.25677	4.5
639.28143	100.0
639.41949	9.9
640.28357	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.86285	0.7
53.03922	0.6
55.05509	1.7
57.07067	1.1
65.76542	0.7
67.05514	3.5
69.07063	1.7
73.02489	0.6
76.64384	0.7
79.05494	2.7
81.07059	3.2
83.08591	0.9
91.05480	2.3
91.10913	0.7
93.07056	2.4
95.08604	2.4
98.21471	2.2
105.07032	2.5
107.08620	1.5
109.10165	0.9
119.08606	1.7
121.10162	0.8
129.07022	1.1
131.08606	0.9
133.10184	1.5
143.08641	0.9
145.10072	1.3
154.12943	0.6
173.13249	0.9
184.68843	0.8
197.13072	0.7
205.93391	0.7
221.10564	0.7
223.12280	0.7
235.12265	0.7
305.24664	0.7
306.28580	0.8
356.41705	0.8
377.17557	2.5
378.18665	1.6
389.18152	1.2
390.18518	2.2
391.19220	6.4
392.20093	3.7
393.21317	1.4
403.19229	1.8
404.20218	1.7
405.20752	11.3
406.21530	5.8
407.22360	13.5
416.08182	0.7
417.21100	1.4
418.21490	1.6
419.22531	5.5
420.23138	4.5
421.23895	20.3
421.29633	1.0
422.17603	1.2
422.24536	3.4
433.24554	3.7
434.24609	3.2
435.18207	2.7
435.25525	0.9
436.19171	1.7
445.20200	2.2
447.21393	1.7
449.19131	1.3
450.20554	1.6
451.21262	14.5
452.21960	3.5
460.22784	1.5
461.23257	2.7
464.22018	1.3
465.22910	21.1
466.23636	1.9
473.19595	1.2
475.20334	1.3
477.22781	1.2
478.23557	2.3
479.24704	2.0
487.21268	3.1
488.22064	1.2
491.20416	1.4
492.21149	1.3
493.26013	2.1
501.23099	1.8
502.23520	0.9
503.24457	12.3
504.24985	1.0
505.22015	0.9
507.27548	10.3
508.28436	3.3
519.23761	0.9
523.23492	3.1
527.37311	1.6
533.25159	1.6
535.27063	18.6
536.27429	1.3
537.24939	10.2
551.26715	5.7
552.27380	20.9
553.28198	1.5
561.25000	4.4
562.25427	1.6
563.26855	0.9
579.25842	11.1
580.26770	3.6
593.27533	1.9
595.29041	8.8
621.27051	21.6
622.27057	1.4
638.48657	1.3
639.28101	100.0
639.50037	4.9
640.28595	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	639.2818
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
64.02676	2.5
65.11526	2.1
69.91827	8.9
69.92250	6.2
72.54934	2.5
78.64572	2.3
118.19185	2.6
132.87148	2.5
145.08751	2.8
198.35634	2.8
282.64230	3.0
390.26318	3.0
421.24271	3.5
423.21698	8.3
433.24255	2.9
435.18414	3.9
436.18680	4.0
437.23325	8.0
444.19485	5.2
449.19202	4.4
459.21902	10.4
465.22870	9.1
479.20880	3.8
492.21518	9.1
493.22568	7.5
536.24188	2.9
547.27142	10.4
551.26440	4.0
579.25635	9.6
580.27014	22.2
589.24438	5.1
589.51587	3.0
596.25946	6.0
606.28455	35.1
607.25226	16.3
611.28589	17.9
621.26868	4.8
624.25208	3.3
639.28027	100.0
640.28107	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	638.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01877	4.5
55.05510	9.4
57.03431	5.8
57.07082	20.0
65.03937	2.8
67.05513	37.9
69.03431	4.2
69.07077	12.7
71.04992	2.7
71.08645	11.9
71.50454	3.3
79.05502	19.5
81.03408	5.8
81.07060	39.7
83.04970	6.5
83.08613	9.5
85.06548	4.1
85.10184	6.8
91.05489	33.7
93.07037	19.0
95.04967	5.4
95.08611	18.7
97.06571	3.7
97.10167	3.5
105.07047	25.7
107.05005	2.4
107.08604	19.7
109.06483	3.5
109.10172	44.6
117.06982	3.2
119.08559	8.5
121.06511	3.4
123.08023	2.7
123.11684	6.1
131.08571	9.0
133.06520	2.3
133.10138	42.7
135.08084	2.7
135.11725	5.0
145.10118	3.4
149.09622	4.9
151.11195	23.8
157.10248	2.4
161.09601	3.8
169.12166	3.2
179.10626	2.8
227.17987	2.7
251.12672	3.2
253.14380	100.0
254.14888	2.7
263.20166	3.5
273.18597	17.1
291.19574	13.5
312.48392	2.4
313.27368	41.7
347.22171	4.0
365.23328	15.9
507.36722	3.4
509.38641	15.1
603.46143	25.1
609.35901	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	638.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64977	0.6
66.28313	0.6
69.80605	2.2
69.88143	0.6
70.20448	0.5
86.06346	0.6
87.50549	0.7
89.06062	0.7
96.13155	0.6
112.77693	0.6
116.39743	0.5
132.05576	2.0
149.30453	0.6
160.05070	100.0
161.05437	0.9
173.79507	0.5
181.20979	0.6
187.26752	0.6
192.07686	96.8
193.08025	0.9
367.09528	0.6
396.53412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53482	1.8
55.01887	4.1
55.05516	17.8
57.03438	8.1
57.03693	2.1
57.07082	25.7
67.05182	3.1
67.05511	26.4
69.03436	5.4
69.07075	22.9
69.15662	20.6
71.08641	16.9
71.82169	1.7
79.05492	18.5
81.03413	4.0
81.07066	26.0
83.04987	2.7
83.08629	11.3
85.10201	8.9
91.05482	18.8
93.07054	14.9
95.04970	3.5
95.08606	19.9
97.02906	6.9
97.06530	3.3
97.10168	11.3
98.20774	3.7
105.07032	12.3
107.04945	6.4
107.08600	11.4
107.39838	2.0
109.10189	16.1
117.07036	5.5
119.08590	9.2
121.06517	4.1
121.10161	6.9
123.08028	2.8
123.11767	3.0
125.09658	5.9
131.08556	5.2
133.06537	4.1
133.10112	12.9
142.07758	2.2
143.08565	3.6
145.10152	5.0
147.08041	5.1
149.09644	3.8
149.13341	2.7
151.11151	5.4
157.10185	2.9
161.09669	3.1
165.09117	2.5
175.11252	1.8
179.10596	1.9
223.13368	15.1
227.12793	2.6
239.23763	4.2
253.14334	13.3
257.24927	2.8
273.18494	18.1
286.76672	2.0
291.19580	100.0
313.27393	66.5
347.22156	2.3
365.23267	33.9
523.19208	2.1
603.46283	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	637.483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32441	0.6
53.03946	3.0
55.01875	1.9
55.05515	16.9
57.03432	3.1
57.07078	4.1
65.03947	1.3
67.05509	31.0
69.03454	0.7
69.07072	16.7
71.05013	1.7
71.08614	1.4
71.43506	1.4
77.03947	1.2
79.05497	21.8
81.03414	1.3
81.07061	30.2
83.04990	2.0
83.08620	8.5
85.06563	1.9
85.10196	1.2
88.81856	0.6
91.05483	21.0
93.07053	21.3
93.07643	1.3
95.04973	2.6
95.08616	26.1
97.06544	3.0
97.10184	3.0
99.08116	0.8
99.38687	0.6
103.05489	0.8
105.07037	19.0
107.08604	14.7
109.06528	1.0
109.10163	11.0
111.08101	1.2
111.11676	0.8
115.05435	1.6
115.17373	0.7
117.07017	11.5
119.08590	20.1
121.06542	1.2
121.10154	10.3
123.08096	1.2
123.11738	2.7
125.09628	1.1
128.06242	3.2
129.07011	13.2
130.07849	1.5
131.08580	16.3
131.09537	1.1
133.06439	1.0
133.10143	13.9
133.11099	1.1
135.11719	5.7
141.06989	5.9
142.07809	3.0
143.08560	12.9
144.09425	0.7
145.10127	15.5
147.11707	7.5
149.13292	2.9
153.07047	1.9
154.07770	1.5
155.08562	13.4
156.09322	1.9
157.10138	13.7
159.11716	13.0
161.13266	3.9
163.14830	1.4
165.07002	0.9
166.07874	1.1
167.08618	5.9
168.09363	2.0
169.10138	14.7
170.10855	1.0
171.08157	0.8
171.11702	13.3
173.13326	6.0
175.14839	2.2
179.08601	2.0
180.09375	1.6
181.10152	6.3
182.10931	1.4
183.11707	14.7
183.13254	1.1
185.13258	10.2
187.14882	4.6
189.16414	1.4
193.10196	2.2
195.11702	7.8
196.12364	1.0
197.11461	1.1
197.13277	9.9
199.14810	5.7
201.16478	2.3
203.17990	0.9
205.10109	0.8
207.11787	2.6
209.13274	7.6
211.14836	6.2
213.16440	5.4
215.18044	1.0
221.13364	2.5
223.14975	4.1
225.16434	3.2
227.18024	2.4
235.14940	1.4
237.16475	2.6
239.17986	2.5
241.19725	1.9
249.16356	1.5
251.18066	1.6
257.18970	1.0
259.20709	0.9
267.21204	0.7
275.20200	1.9
285.22244	1.4
289.18240	1.7
295.20602	0.8
299.23709	1.0
303.23145	1.8
313.27707	1.5
319.20612	0.8
321.22134	0.8
337.25223	1.0
339.23151	1.0
339.27072	1.5
349.25037	1.8
351.27020	1.7
363.26822	1.5
365.28647	1.5
377.28561	1.7
379.30325	1.7
393.31656	1.6
409.31119	0.8
414.86121	0.8
449.33939	1.6
453.33295	0.9
475.35538	2.0
489.36716	1.2
503.38556	1.3
515.37238	0.8
527.42657	1.1
529.39014	1.6
543.40942	0.9
545.43542	9.0
549.39313	0.8
563.44696	5.8
567.40564	2.9
569.41730	0.8
601.46130	1.5
619.47351	10.2
627.68152	1.0
637.48334	100.0
638.48761	4.2
663.40027	0.7
663.53967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03948	2.2
55.01866	2.2
55.05513	19.6
56.49695	0.5
57.03440	4.9
57.07074	3.6
59.30995	0.4
65.03941	1.8
67.05506	32.5
68.05825	0.6
69.07072	18.0
69.16850	3.3
69.17273	1.7
71.05001	1.3
71.08646	1.0
77.03925	0.9
79.05496	22.8
81.03466	0.5
81.07061	32.9
82.07407	0.6
83.04986	1.6
83.08617	9.7
83.09061	0.9
85.06556	1.7
91.05482	18.8
93.07050	20.9
95.04963	2.8
95.07991	1.3
95.08607	27.2
97.06519	3.2
97.10175	3.9
99.08101	0.9
103.05454	0.9
105.04543	0.7
105.07035	19.1
107.08598	13.9
109.06539	1.7
109.10159	11.7
111.08089	1.2
111.11745	0.8
115.05486	2.0
117.07024	11.2
119.08589	19.8
120.91241	0.5
121.06584	0.7
121.10141	9.0
121.10933	0.8
123.08115	1.2
123.11711	2.8
125.09630	1.4
128.06203	3.7
129.07010	14.1
130.07809	1.8
131.08577	18.5
133.10136	12.7
135.11703	6.8
137.13301	1.6
139.11188	0.8
141.06990	7.7
142.07762	3.6
143.08565	16.9
144.09421	1.2
145.10127	18.5
147.11685	7.3
149.09653	0.8
149.13254	2.5
153.07010	3.1
153.12772	0.7
154.07803	1.5
155.08560	17.2
156.09351	1.9
157.10135	17.9
159.11697	13.0
160.77463	0.6
161.13220	4.3
163.14836	1.1
165.07039	2.1
166.07860	1.5
167.08559	6.4
168.09367	2.2
169.10133	20.7
170.10956	1.4
171.11691	14.1
173.11931	1.0
173.13274	7.3
175.14905	2.0
175.20064	0.5
177.16408	0.8
178.07777	0.8
179.08556	3.5
180.09372	1.6
181.10126	10.1
182.10973	2.0
183.11699	17.9
184.12415	1.1
185.11662	0.9
185.13277	11.7
187.14859	4.9
189.16499	1.6
192.09370	0.9
193.10159	4.9
194.11052	1.2
195.11696	11.5
195.13408	0.8
196.12543	1.3
197.13271	14.2
197.15025	0.9
198.13863	0.6
199.13257	1.0
199.14876	7.5
201.16415	1.9
203.18034	0.9
205.10033	0.6
206.10951	0.6
207.11707	4.4
209.13272	9.3
211.14839	8.7
213.16409	5.2
215.18091	1.4
219.11732	1.0
221.13304	3.4
223.14787	7.3
224.15556	1.0
225.16389	6.7
227.18074	3.8
229.19571	0.6
233.13318	1.1
235.14798	2.9
237.16440	5.0
239.17989	3.6
241.19627	1.6
247.14874	0.7
247.20717	0.6
249.16493	1.4
251.17999	3.1
253.19632	1.9
255.21263	0.9
261.16428	0.7
263.17944	0.9
265.19589	2.1
267.21085	1.5
269.22919	0.6
271.20566	0.7
277.19550	1.2
279.21298	1.4
281.22906	0.8
289.18350	0.8
291.21280	0.7
293.19101	0.6
293.22534	0.8
295.20554	0.6
295.24158	0.8
297.22293	0.7
303.23340	0.9
309.22165	1.5
311.23450	1.0
321.22360	1.5
323.23709	1.5
325.25436	1.5
335.23871	1.0
337.25351	2.3
339.26755	1.0
341.24579	0.7
349.25381	1.1
351.26941	2.4
353.24597	0.7
355.26529	0.8
363.26907	1.8
365.28430	2.1
367.26239	0.9
369.27887	1.2
377.28510	1.3
379.30231	1.7
381.27744	0.8
383.29608	0.9
385.27127	0.5
389.28244	0.9
391.30273	0.8
393.31668	1.2
397.31012	0.9
405.31674	0.7
407.29187	1.0
413.17892	0.6
415.19293	1.5
423.32458	0.8
429.21030	0.7
435.21567	0.7
435.32651	1.9
437.34268	1.0
443.18390	0.6
447.32004	0.7
449.34103	0.8
453.34100	0.6
457.34030	0.5
458.21002	0.7
461.33862	1.3
463.35779	1.0
471.22180	1.0
472.22977	0.6
475.35678	2.0
486.20361	0.9
489.37198	0.8
499.21274	1.6
515.38251	0.7
517.22333	0.6
527.43042	0.8
531.23816	1.0
543.41321	0.7
545.43536	13.7
549.39587	1.0
559.23438	10.2
560.23401	1.0
563.44696	7.5
567.40759	1.6
568.41138	0.8
581.45026	1.1
583.44958	0.8
587.22955	2.3
593.45197	0.9
601.46100	2.3
619.25574	9.0
619.47278	13.6
620.25616	1.7
620.47565	0.6
637.26227	2.0
637.48285	100.0
638.48700	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	637.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01878	2.0
55.05515	18.2
57.03448	5.4
57.07063	2.6
59.05004	1.0
65.03947	1.6
67.05509	29.0
69.03430	0.9
69.07074	16.8
69.81783	0.5
71.04997	1.9
71.08637	1.3
71.51229	1.0
79.05499	21.9
79.23605	0.6
81.03471	0.7
81.07064	31.8
83.04995	1.3
83.08624	8.8
85.06540	1.4
91.05485	18.5
93.06578	0.4
93.07052	19.0
95.04978	2.6
95.08619	25.1
97.06530	3.5
97.10184	4.1
99.08115	1.1
103.05446	1.0
105.04520	1.0
105.07041	17.8
107.08605	13.8
109.06541	1.5
109.10162	11.3
109.10844	1.2
111.08075	1.3
115.05448	1.8
116.06232	1.0
117.07027	8.7
119.08594	15.8
121.06560	0.6
121.10146	8.6
123.08080	0.6
123.11727	2.5
125.09620	1.4
127.07500	0.8
128.06248	5.2
129.07016	12.6
131.01764	0.6
131.08580	16.8
133.10143	12.2
135.11693	6.2
137.09610	0.9
137.13274	1.5
139.11201	0.9
141.06975	6.8
142.07762	3.4
143.08578	18.2
144.09348	0.7
145.10135	15.6
146.10936	0.6
147.11696	6.6
149.09546	0.8
149.13289	2.7
151.14847	0.8
153.07007	2.3
154.07832	2.4
155.08566	15.9
156.09373	2.5
157.10139	18.2
159.11700	11.3
161.13272	4.3
163.11229	0.7
163.14905	1.2
165.07062	1.1
166.07774	1.5
167.08578	7.7
168.09325	2.6
169.10135	19.8
169.11577	1.0
170.10904	1.2
171.11684	14.6
173.13295	7.0
175.14883	2.3
178.07803	0.9
179.08505	3.1
180.09366	1.0
181.10141	11.7
181.11639	1.0
182.10947	1.5
183.10092	1.0
183.11711	18.4
184.12398	1.1
185.13281	12.4
187.14894	4.1
189.16417	1.4
191.08687	0.8
191.18114	0.6
193.10143	3.9
195.11711	11.5
195.13390	0.6
196.12526	1.2
197.13264	13.5
198.13991	0.7
199.14876	6.3
201.16467	2.4
202.15915	1.4
203.16310	1.4
203.18054	1.0
205.10219	0.9
207.11699	4.2
208.12518	0.8
209.13266	10.0
211.14842	9.9
213.13033	0.7
213.16444	5.9
219.11765	1.2
221.13237	4.1
223.14810	6.4
225.16391	6.3
227.18048	4.0
233.13290	1.1
235.14906	2.4
237.16443	4.2
239.18010	3.3
241.19725	1.5
247.14958	0.9
249.16498	1.4
251.17926	3.3
253.19630	1.8
255.21263	1.1
263.17932	1.1
265.19553	2.9
267.21152	0.9
271.17361	0.7
273.18735	0.8
273.22211	0.7
277.19565	1.2
279.21088	1.3
281.22534	0.9
291.21097	1.1
297.22244	0.9
300.13632	1.0
301.14059	0.9
309.22064	1.3
311.23865	1.0
321.22043	1.1
323.23697	1.9
327.23218	0.9
335.23743	1.1
337.25281	1.2
339.22888	0.8
339.26736	0.9
347.23688	0.9
349.25272	2.1
351.26941	1.8
353.28424	0.8
361.25107	0.8
363.26831	1.1
365.28580	2.7
369.27737	0.9
375.26929	1.0
377.28488	1.5
379.30072	1.7
391.30042	1.5
393.27414	1.0
393.31982	1.5
395.29675	1.5
405.31531	1.1
409.30786	1.1
439.31332	0.7
449.34192	1.4
461.33707	1.1
463.35907	1.1
475.35605	1.6
499.34561	0.9
503.38593	0.9
527.42676	2.3
545.43652	17.7
549.39923	1.1
559.23199	4.7
563.44885	9.6
567.40649	2.2
581.45386	1.2
583.45007	1.2
593.45752	0.9
601.45728	3.5
619.25635	1.7
619.47333	17.1
637.26764	4.6
637.48352	100.0
638.48901	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	637.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
53.47648	2.7
55.01874	16.9
55.05516	36.2
55.20544	2.7
57.03443	30.9
57.07082	52.7
60.21626	2.6
61.20083	2.9
65.03944	6.7
67.05511	100.0
69.03439	3.8
69.07068	38.5
71.01367	3.9
71.04996	8.1
71.08638	35.4
71.51310	5.7
79.05499	59.6
80.06274	3.1
81.03442	18.0
81.07064	72.8
82.04222	3.1
83.04987	23.3
83.08636	22.1
85.06551	7.3
85.10191	19.8
89.06022	3.2
91.05483	78.1
93.07046	46.4
95.04970	61.1
95.08618	61.2
97.02903	4.4
97.06556	7.0
97.10163	12.1
97.34610	3.1
99.37375	2.9
103.05471	3.6
105.04534	4.4
105.07041	53.7
107.04969	69.6
107.08609	23.6
109.06530	24.1
109.10161	30.2
110.07297	4.1
111.04436	8.8
111.08054	6.4
112.05251	6.4
113.05994	6.9
115.05464	8.7
115.81042	3.2
117.07039	33.8
119.04938	8.5
119.08607	27.5
120.05727	3.1
121.06517	14.6
121.10144	13.4
122.07310	20.4
123.04444	9.2
123.08057	8.5
123.11716	8.3
125.06014	4.9
125.09592	3.7
128.06230	14.2
129.07025	18.2
131.08575	31.5
133.06505	24.4
133.10141	14.3
135.08040	14.6
135.11728	16.5
137.05948	4.1
141.07008	6.1
143.08562	17.8
145.06519	18.7
145.10130	12.0
147.08072	33.7
147.11713	8.6
149.09624	7.7
151.07518	5.6
155.08514	5.9
155.80501	2.8
157.10129	8.1
159.08090	8.1
159.11722	10.9
161.09625	24.4
161.13261	7.1
162.10402	5.3
163.11223	6.7
165.34491	3.0
169.10153	7.6
171.11734	8.3
173.09625	3.9
173.11792	4.7
173.13232	6.6
173.56438	3.0
175.11192	7.8
177.12831	4.5
185.13353	4.7
187.11229	5.7
187.14845	5.4
197.13260	5.7
203.14270	5.5
205.15929	6.7
215.14392	7.9
233.15456	17.2
261.14923	7.0
261.18631	4.0
273.18506	12.4
289.17975	5.7
290.18652	19.1
291.19485	6.4
307.19040	11.4
313.27408	67.5
325.20026	4.3
335.18463	3.4
347.22040	3.4
381.22778	20.6
430.87140	3.3
444.19022	4.1
445.20248	9.6
458.20856	8.3
459.21774	4.7
460.22360	6.8
467.37549	16.5
514.15155	3.5
518.23346	6.3
545.42139	21.2
573.41437	23.3
577.27936	3.2
605.27777	39.2
606.28821	3.3
619.45770	50.6
637.30231	54.9
637.47632	12.9
638.31122	3.3
650.51788	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	637.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91341	2.1
53.03945	8.5
55.01878	21.7
55.05515	39.1
57.03445	31.1
57.07081	49.3
59.05004	4.3
60.68032	2.2
64.38103	1.9
65.03929	6.3
67.05511	100.0
68.32594	2.6
69.03433	4.5
69.07073	30.4
71.01363	6.3
71.05003	3.8
71.08644	29.6
71.50508	2.2
75.47629	2.1
79.05501	86.3
79.05969	4.4
80.06277	4.0
81.03423	22.2
81.07063	87.1
83.04990	28.0
83.08633	22.7
85.06541	7.9
85.10201	17.0
91.05490	90.3
93.07055	64.9
94.04220	3.3
95.04976	62.2
95.08614	65.8
97.02921	7.7
97.06535	10.1
97.10186	11.5
98.07307	2.6
103.05511	5.6
105.04478	3.1
105.07037	62.7
107.04961	77.1
107.08606	29.7
108.05740	3.9
109.06535	25.4
109.10174	27.8
110.07368	3.1
111.04438	11.8
111.08102	5.1
112.05254	5.5
113.06022	7.8
115.05481	8.3
115.15433	2.4
117.07016	36.5
119.04954	7.1
119.08589	36.4
121.06485	21.5
121.10154	14.7
122.07303	24.1
123.04432	7.7
123.08090	11.6
123.11710	8.3
125.06017	4.2
128.06204	15.8
129.07010	19.7
131.04929	5.8
131.08586	35.0
133.06509	29.9
133.10130	22.2
135.04462	2.4
135.08067	13.1
135.11707	12.8
137.05983	3.6
137.09631	4.9
141.06996	10.1
142.07800	2.9
143.08569	15.4
145.06517	15.4
145.10132	14.2
147.08078	35.8
147.11743	8.6
148.08870	4.3
149.05957	2.3
149.09644	7.6
149.13307	3.4
151.07532	5.5
153.07053	2.9
155.08586	6.2
157.10156	9.3
159.08089	9.3
159.11720	10.4
161.09644	27.4
161.13330	5.6
162.10379	6.4
163.07533	3.5
163.11206	6.7
165.07181	2.7
165.09116	4.7
167.08661	3.1
169.10150	8.9
171.08134	2.8
171.11743	10.5
173.09612	3.4
173.13315	7.9
175.11209	11.4
177.12715	4.1
179.08582	3.2
179.14389	5.1
183.08041	2.8
183.11731	5.1
185.09660	2.4
185.13287	6.6
187.11244	4.4
187.14841	6.9
189.12738	4.6
195.11784	3.3
197.13362	4.5
201.16388	2.7
203.14311	7.4
205.12192	3.2
205.15936	4.0
207.13799	2.5
215.14351	5.3
219.13843	3.6
233.15427	18.0
239.23788	3.4
251.16486	4.6
257.24689	3.5
261.14862	3.2
261.18744	3.3
273.18530	12.1
275.20032	6.5
289.17984	6.9
290.18674	20.2
291.19437	3.0
295.00397	2.8
307.19073	8.9
313.27390	72.8
325.20175	4.8
335.18552	7.8
347.22137	3.0
351.23230	5.4
381.22708	18.3
418.87396	2.4
445.20294	2.8
545.42078	22.8
561.41516	3.4
573.41455	22.8
619.46063	48.7
637.29730	12.7
637.40869	21.0
637.49561	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	637.3586
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
53.03931	11.9
55.01863	5.3
55.05515	25.8
57.03445	13.0
57.90794	2.7
65.03944	6.4
67.05181	4.6
67.05510	72.3
67.06066	2.8
69.03417	12.1
69.07064	21.5
69.85577	16.2
71.04985	7.4
74.73613	2.4
79.05499	79.5
81.03424	36.7
81.06599	4.6
81.07062	80.0
81.07530	5.8
83.04976	31.4
83.08605	12.8
85.02903	9.1
85.06543	7.1
91.05489	66.7
93.07050	77.2
94.08573	2.9
95.04978	26.2
95.08611	32.1
97.02892	10.2
97.06529	11.0
97.10143	7.7
98.21490	5.5
99.04447	5.0
103.05451	3.1
105.04564	5.1
105.07046	43.0
105.71304	2.6
107.04996	13.6
107.08605	36.2
109.02881	7.8
109.06517	6.8
109.10173	7.9
111.04427	8.5
111.08116	4.5
115.05469	3.2
115.24258	2.7
117.07034	23.1
119.04971	3.4
119.08604	30.6
119.53528	2.5
121.06507	6.0
121.10134	11.9
123.08091	5.4
123.11728	3.6
125.09615	5.3
127.03922	10.1
129.05478	7.9
129.06999	17.0
131.08607	21.2
133.10114	15.4
135.08084	4.2
135.11694	5.5
143.08571	12.7
145.10123	12.3
147.08078	6.3
147.11697	35.1
149.13275	14.7
152.64336	2.6
155.08583	4.0
157.10098	5.2
159.11688	12.2
161.09598	6.3
161.13254	8.3
163.11241	4.8
165.12788	3.6
169.10164	4.7
170.75340	2.8
171.11688	21.2
177.12737	6.9
189.12729	9.1
195.11960	2.6
195.13795	8.3
207.13861	22.9
267.15891	4.1
269.17426	8.6
273.18466	4.4
281.17477	45.1
303.15866	3.0
304.52945	2.9
339.18079	6.2
413.21844	23.6
436.26050	3.5
457.29337	8.9
475.30597	100.0
476.31219	5.1
619.34766	36.6
637.40851	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	637.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01865	9.5
55.05513	36.1
57.03440	13.5
65.03933	7.4
67.05511	83.5
69.03426	19.5
69.07076	18.7
69.58994	2.5
71.04994	10.4
79.05496	91.4
81.02992	3.6
81.03426	43.2
81.07061	82.3
83.04990	36.8
83.08616	13.6
84.80007	2.4
85.02910	8.3
85.06545	4.3
91.04918	2.7
91.05486	76.7
93.07047	89.1
95.04980	22.1
95.08613	30.0
97.02908	10.2
97.06530	10.9
97.10161	7.8
98.20702	4.0
99.04459	8.8
103.05492	3.6
105.04545	4.7
105.07040	58.9
107.04957	10.0
107.08594	32.0
109.02882	10.8
109.06548	7.3
109.10168	8.1
111.04488	5.0
111.08059	8.2
115.05479	3.4
117.07004	25.1
119.08585	33.2
121.06507	9.1
121.10126	12.4
123.08064	6.0
123.11742	3.6
127.03925	8.1
128.06252	5.2
129.05540	5.4
129.07024	22.1
131.08566	20.3
133.06497	6.5
133.10146	17.3
135.08015	3.1
135.11685	5.7
143.08575	11.4
145.06488	3.4
145.10135	12.9
147.08069	4.5
147.11690	36.2
149.09665	3.9
149.13269	13.3
157.10124	6.4
159.11722	9.6
161.09634	5.7
161.13268	12.4
163.11101	4.0
165.12822	4.0
169.10144	3.8
171.11713	25.1
177.12712	7.0
177.67845	2.7
189.12700	13.4
195.11977	2.6
195.13821	10.9
207.13829	30.8
213.14668	2.8
267.16013	3.7
269.17575	11.5
271.17236	3.6
281.17468	50.8
339.18011	6.4
395.20758	5.8
413.21738	20.3
457.29453	6.7
475.30591	100.0
619.34473	41.5
637.40375	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	5.1
51.93977	3.9
53.03945	15.4
55.01867	8.3
55.05515	34.5
57.03427	17.8
65.03935	8.1
67.05182	5.9
67.05511	85.3
69.03451	20.5
69.07077	26.8
69.27318	6.9
69.27727	32.6
71.01366	5.2
71.04988	8.4
73.64072	3.7
74.26675	3.9
75.47566	4.2
79.05497	93.3
81.03423	52.7
81.07056	100.0
83.04991	44.9
83.08613	17.0
85.02876	10.1
85.06549	5.1
86.09620	4.0
91.05490	84.8
93.07046	94.5
95.04978	28.5
95.08611	47.1
97.02875	8.2
97.06527	11.2
97.10159	6.9
99.04442	7.6
99.08114	4.6
105.07047	50.5
107.04975	11.9
107.08613	36.1
109.02869	7.4
109.05796	4.1
109.06520	8.6
109.10164	6.0
111.04443	9.4
111.08041	7.4
115.76498	3.4
117.07030	20.3
119.08576	36.3
119.87654	3.6
121.06501	8.2
121.10153	16.8
123.08053	6.9
123.11624	5.1
127.03883	6.2
128.06255	5.2
129.05493	13.4
129.07014	26.0
131.08571	17.4
133.10152	25.0
135.07965	4.5
135.11742	4.2
143.08571	13.8
145.06494	9.2
145.10114	15.6
147.08023	7.3
147.11690	43.9
149.13315	18.6
157.10112	11.4
159.11705	16.4
161.13248	14.7
165.12778	4.4
167.67833	4.5
169.10181	6.4
171.08022	8.9
171.11679	22.1
177.12807	5.0
189.12721	9.0
195.13864	14.1
197.13304	4.5
207.13782	27.6
209.13303	4.9
269.14951	4.5
269.17542	13.0
271.16788	5.3
273.18713	4.2
275.20044	6.1
281.17468	64.2
339.17972	5.6
351.17926	4.5
395.20560	6.9
413.21732	26.6
475.30634	96.6
619.34540	47.9
637.40729	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	637.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	16.3
54.28790	2.6
55.01863	9.9
55.05515	34.9
57.03450	15.4
57.07077	3.3
61.33669	2.8
64.00401	2.3
65.03949	5.0
66.55757	2.9
67.05510	86.7
69.03432	19.6
69.07072	25.7
70.42361	5.6
70.42727	5.4
71.04992	8.5
73.02916	3.7
73.06573	3.7
73.27882	2.9
79.05499	83.7
81.03423	51.9
81.06590	5.4
81.07062	100.0
82.03735	2.6
83.04992	32.9
83.08625	20.8
85.02921	15.1
85.06551	4.4
91.05490	77.2
93.06481	5.5
93.07050	83.9
95.04978	26.7
95.08607	32.9
97.02901	16.5
97.06523	14.0
97.10155	11.0
99.04462	5.2
99.08096	3.8
103.05483	2.9
105.04516	4.2
105.07040	56.2
106.80604	2.9
107.04975	14.0
107.08608	34.7
109.02885	14.1
109.06525	10.0
109.10175	17.0
111.04444	9.6
111.08072	7.4
115.05487	4.6
117.07055	25.5
119.08594	36.6
121.06508	7.3
121.10106	13.6
123.04403	3.5
123.08071	7.2
123.11707	4.5
125.09663	3.7
127.03909	8.8
128.06215	5.5
129.05475	7.1
129.07018	20.5
129.61942	2.6
131.08562	14.9
133.06512	5.7
133.10158	20.8
135.08058	5.5
135.11700	9.7
136.14369	2.9
141.06976	3.5
142.47009	3.3
143.08536	13.9
145.06485	7.5
145.10161	16.5
147.04314	4.0
147.08144	5.7
147.11696	34.9
149.09630	4.1
149.13310	13.7
155.08499	4.7
157.10139	6.2
159.08047	4.5
159.11700	10.8
161.09656	6.8
161.13255	10.7
163.11154	5.0
169.10153	6.1
171.11688	24.4
173.04330	3.1
173.09563	2.8
173.13266	4.0
175.11134	3.3
177.12788	8.9
181.10101	5.2
183.11800	3.6
185.09595	3.1
185.13292	3.9
189.12729	6.5
193.05594	3.1
193.12256	4.6
195.13759	6.6
207.13809	30.0
227.12766	3.6
255.67505	3.3
267.15894	5.9
269.17526	14.4
273.18491	7.2
281.14371	3.3
281.17453	51.7
287.16373	3.1
339.18115	8.1
395.20514	3.8
413.22058	15.8
425.22046	3.0
457.29749	5.5
475.30853	82.5
476.30334	3.7
619.34570	40.5
637.31726	79.4
637.40881	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79661	0.7
55.05509	0.7
57.07076	1.8
57.98586	0.6
64.71403	0.6
67.05506	2.4
69.07070	0.9
71.08637	0.9
79.05500	1.1
81.07053	1.9
93.07045	0.8
95.08607	2.0
97.06528	0.7
105.07034	0.8
105.99935	0.6
107.08575	1.3
119.08625	0.7
121.10153	0.9
133.10139	0.9
140.31732	0.6
201.11795	0.7
206.81361	0.6
207.17468	0.9
313.27475	0.8
385.14957	0.7
388.18127	0.9
389.18301	1.0
391.19272	2.1
392.19803	1.0
399.16199	0.9
400.17072	1.3
401.17737	2.3
402.19318	1.2
403.19305	1.5
404.20743	0.9
405.20828	5.9
406.21454	6.7
413.17963	2.0
414.18497	3.6
415.19165	5.8
417.21112	2.1
419.22592	2.4
420.23132	3.8
421.23859	11.1
427.19568	2.6
428.19812	3.2
429.20840	12.4
430.21564	3.0
431.18307	1.4
433.20367	2.6
434.24927	1.2
441.16132	1.0
442.21790	1.5
443.22534	8.1
444.23743	4.3
445.19797	3.6
446.21179	1.0
447.18222	2.6
448.22418	0.8
455.18732	0.9
456.19641	1.6
457.25015	4.6
458.25015	6.6
459.21820	6.4
460.22839	4.5
461.19412	9.0
462.20715	1.0
470.20993	1.3
471.21701	2.1
472.22803	6.6
473.18951	1.3
473.24146	1.7
475.21640	2.6
476.22025	6.0
483.18857	0.9
484.18774	1.1
485.23489	12.3
486.19269	0.7
486.25302	3.8
487.21329	2.5
488.21918	4.9
491.24567	1.0
499.21829	0.9
500.22220	2.0
502.23679	1.4
503.24490	19.0
505.21530	0.8
513.23016	2.9
514.24042	1.8
517.26141	9.7
529.26068	1.4
530.23663	0.8
535.27087	26.4
536.27069	1.6
545.25507	72.7
546.25787	3.3
549.24933	1.1
563.26703	4.5
573.25067	17.5
577.28369	1.0
605.27625	78.7
606.27881	2.6
637.30243	100.0
638.30756	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	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	0.4
60.80021	0.3
65.04448	0.3
67.05513	0.5
74.34631	0.3
79.05488	0.4
81.07034	0.3
84.94257	0.3
91.05524	0.3
95.04980	0.4
95.08601	0.3
95.53722	0.3
112.75233	0.4
130.50002	0.3
131.08565	0.3
158.93094	0.3
173.54996	0.3
221.36148	0.3
229.11864	0.4
250.97931	0.3
268.53098	0.3
327.29788	0.3
353.05280	0.3
387.16052	0.7
388.16946	0.3
394.04123	0.3
401.17761	1.2
402.18530	0.6
403.19434	1.6
404.20108	0.5
405.20850	1.2
407.22562	0.4
415.19553	1.5
416.20221	0.6
417.21448	1.8
418.21762	0.5
419.22455	1.2
420.23270	0.7
429.17026	1.2
429.21487	0.6
430.17279	1.9
431.17978	2.7
432.18903	0.9
432.23294	1.6
433.20404	1.0
435.21783	0.5
443.18420	2.0
444.19131	3.3
445.20093	10.1
446.21390	2.2
447.21912	1.3
457.20035	0.8
458.21014	8.1
459.21777	6.8
460.22858	7.2
461.19553	4.2
462.20483	0.6
472.22910	0.4
473.22516	0.4
475.21295	2.4
476.22241	1.5
477.22690	2.2
485.23703	0.5
486.24374	0.6
489.18768	0.5
490.23804	0.9
491.24594	2.5
503.20551	0.8
504.25372	0.7
505.22693	1.4
517.21796	1.6
518.23077	4.6
519.23285	0.5
530.23370	0.9
531.23975	1.4
532.24902	1.0
533.25580	3.2
535.23450	1.9
545.25629	2.8
546.26257	2.0
547.27014	0.7
549.25177	1.1
560.23834	0.4
563.26501	0.7
573.25018	1.2
577.28571	2.6
590.25208	0.6
591.25635	0.4
592.26532	0.8
605.27625	15.2
606.28430	1.2
611.31586	0.3
637.30237	100.0
638.30658	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	637.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69707	0.7
55.01856	1.0
55.05501	2.4
57.07080	2.0
67.05505	5.3
69.07059	1.4
69.26854	5.5
69.27262	2.1
70.84794	0.8
71.08642	2.0
79.05501	3.4
81.03385	0.8
81.07059	5.7
83.08604	2.1
91.05484	2.8
93.07044	2.3
94.06558	1.0
95.04954	1.4
95.08595	3.6
105.07044	2.3
107.04905	1.0
107.08601	2.2
109.10155	1.8
119.08571	2.7
121.06480	1.4
121.10145	1.3
121.30199	0.8
129.06931	0.8
129.31194	0.7
130.06505	0.9
131.08578	1.5
133.10153	1.4
141.70973	0.8
142.69777	0.9
143.08446	0.9
145.10129	1.4
162.05510	2.2
168.08084	2.0
170.09706	1.0
180.08075	1.4
181.07553	2.2
181.08990	1.4
183.09105	1.2
193.07512	3.8
194.08385	2.5
195.09164	6.8
195.20641	1.0
196.09921	4.6
197.10776	4.6
198.12891	1.6
202.51573	0.8
207.09123	4.4
208.07748	2.0
208.09946	5.1
209.06984	1.8
209.10706	9.8
210.07907	1.6
210.11485	7.7
211.08682	1.2
211.12311	3.5
212.09447	1.1
212.13104	2.3
221.07114	3.2
221.10750	1.7
222.07863	2.7
222.11375	1.3
223.08687	11.6
223.12173	7.5
224.09430	18.9
224.13055	3.3
225.10300	9.3
225.13881	9.2
226.10779	0.9
226.14589	3.2
227.15576	1.0
235.08652	8.6
236.05617	0.9
236.09334	4.7
237.06621	1.2
237.10338	5.6
238.10988	4.4
239.08197	3.4
239.11777	1.6
249.06671	1.3
249.10124	1.5
250.07448	0.9
251.08211	6.7
251.11768	7.1
252.08878	2.6
253.13379	25.1
254.13684	0.9
255.11296	4.8
256.12115	4.4
263.08145	7.0
264.08917	5.5
265.09729	5.0
266.06799	0.9
266.10483	3.3
267.07492	1.9
269.09256	2.2
269.12692	1.6
270.13632	1.0
271.14273	1.8
277.06073	2.3
279.07721	3.0
279.11310	7.7
281.09180	4.1
281.12796	2.6
282.09906	1.2
283.10785	1.1
291.07629	9.6
293.09265	3.4
295.07367	1.3
297.09030	1.7
297.12384	5.6
300.11154	1.0
308.07697	1.6
309.08685	2.3
310.09470	4.2
311.10254	2.0
311.13620	1.2
313.27301	2.6
319.07266	1.8
323.10284	1.4
325.11874	5.6
351.09753	38.0
351.30334	0.8
352.10022	1.3
356.13916	1.1
369.10834	20.4
458.17383	1.4
461.19537	1.0
470.17050	3.2
475.21088	1.1
489.22845	1.3
503.20544	1.6
517.22498	9.7
545.21576	3.5
573.21118	4.2
577.24500	47.3
578.23956	1.6
605.23987	100.0
606.24603	3.9
619.46301	1.2
623.24939	1.2
637.16675	1.5
637.26599	19.4
637.47614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.6
55.05453	1.7
57.03383	0.4
57.07011	1.1
62.94520	0.3
67.05441	3.2
69.03378	0.4
69.06999	1.7
71.08584	0.6
79.05495	1.5
81.03349	0.5
81.07055	2.3
83.04918	0.3
83.08573	0.8
85.10130	0.5
86.63078	0.3
87.07661	0.3
91.05414	1.0
93.07036	1.7
95.04918	0.6
95.08607	1.9
97.06472	0.4
97.10136	0.8
105.06943	1.5
107.04869	0.4
107.08521	1.2
109.10150	1.8
117.06932	0.5
119.08524	0.8
121.10054	0.7
129.06914	0.5
131.08533	0.6
133.10060	0.8
137.09525	0.7
143.08466	0.6
145.10088	0.6
147.11652	0.3
155.08473	0.5
157.10146	0.6
159.11600	0.6
167.08450	0.4
171.11635	0.4
182.09663	0.4
183.11678	0.7
185.13214	0.5
209.10770	0.6
227.12685	0.4
229.42305	0.4
233.10744	0.3
235.12169	0.6
249.10028	0.4
250.11008	0.4
271.12167	0.4
324.11359	0.5
350.16513	0.4
359.14279	0.3
363.16068	0.4
374.16684	0.6
375.16708	0.8
376.17212	0.5
377.17804	1.0
378.18356	1.2
384.14975	0.5
385.14752	0.8
386.15326	1.4
387.16022	1.3
388.17627	0.6
389.17874	0.9
390.19168	0.7
391.19247	1.7
392.19983	0.7
393.20718	2.7
398.15714	0.8
399.16199	2.1
400.16977	3.7
401.17627	4.6
402.18561	1.2
403.19330	0.9
404.16156	0.4
405.21198	0.8
406.21600	0.6
407.22333	3.3
409.14990	0.4
411.16663	0.6
412.16904	0.7
413.17789	3.5
414.18484	5.0
415.19315	9.7
416.19846	1.5
417.16336	0.6
417.20868	1.1
419.18661	0.9
421.20224	2.6
425.17819	1.5
427.19882	2.2
428.20459	3.9
429.21225	9.5
430.22174	2.7
431.18460	0.9
433.20435	0.7
435.21490	2.3
437.17599	0.5
439.19086	1.0
441.16763	2.1
442.17349	1.8
443.18192	3.3
443.22522	4.2
444.18668	5.8
445.20157	3.2
446.21454	0.5
447.17490	0.6
447.22714	0.6
448.19012	0.5
455.18515	1.5
456.19882	2.1
457.20612	5.5
458.21353	4.1
459.17941	1.2
459.22961	0.5
462.19910	0.6
463.21420	0.5
467.19147	0.5
470.16855	0.7
471.22372	6.9
472.23270	5.1
473.19577	5.6
474.20581	1.1
475.17041	0.8
483.17654	0.5
484.19101	0.7
485.19955	3.0
486.20532	6.7
487.21756	2.8
488.22629	1.7
489.22742	1.2
490.19839	3.5
491.20557	0.6
499.21362	11.2
500.22769	3.9
501.17728	0.5
501.23297	1.0
502.19931	0.8
503.24896	4.5
504.21567	0.4
505.22586	0.6
513.19397	1.3
514.19928	0.8
516.21991	1.5
517.22369	4.9
518.22626	0.5
525.35773	0.6
527.20789	2.7
528.21545	1.5
529.22858	0.4
530.23108	0.8
531.24066	13.1
541.22418	0.6
543.24036	1.4
544.21234	1.0
545.21869	0.9
549.24731	0.5
559.23438	100.0
560.23926	3.0
577.23883	0.7
587.22955	16.9
605.23822	0.9
619.25543	93.2
620.25757	3.1
635.79028	0.4
637.26624	11.5
637.48792	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
53.17762	0.7
55.05507	3.2
57.03419	1.1
57.07069	1.2
60.05629	0.7
61.73692	0.7
65.32037	0.7
67.05513	8.3
69.03445	1.2
69.07067	3.0
71.05013	0.9
71.08636	1.8
78.62388	0.9
78.73708	1.0
79.05500	6.7
81.07059	6.3
83.08633	2.4
85.10149	0.9
91.05488	5.7
93.07047	4.9
95.04995	1.1
95.08617	5.1
96.58273	0.8
105.07047	3.5
107.08591	3.1
109.10170	3.1
111.08110	1.0
117.07006	1.8
119.08592	2.9
121.10136	2.0
123.08070	1.0
123.11711	1.0
129.07002	1.9
131.08604	2.2
133.08507	0.7
133.10138	2.9
135.08067	1.1
135.11723	1.8
137.09595	0.8
143.08635	1.4
145.10123	2.7
147.11761	1.5
157.10199	1.1
157.86832	0.9
159.11696	1.7
171.11746	0.8
173.13171	0.9
207.17494	2.4
251.08101	1.0
303.23160	1.4
305.25165	0.8
363.16306	1.2
372.93027	1.0
377.17795	2.6
378.18536	1.9
382.46967	0.9
386.15958	1.0
388.17758	1.2
389.17773	1.5
390.18665	0.8
391.19223	3.6
392.20154	2.1
393.21011	3.3
399.16345	2.4
400.16833	2.7
401.17850	4.3
405.21124	2.2
406.21683	1.4
407.22470	6.3
413.17902	1.8
414.18509	3.3
415.19611	6.6
416.20456	1.3
417.21332	1.8
419.18433	1.4
419.23016	1.6
421.20309	4.1
424.17075	1.0
427.19394	1.7
428.20221	2.3
429.21558	6.1
430.21863	1.8
433.20770	1.0
435.21686	4.9
436.22827	1.5
439.19589	1.3
441.17255	1.3
442.17657	1.8
443.17813	1.7
443.22516	3.3
444.19464	3.1
445.20401	3.4
446.21191	1.2
447.18069	1.6
455.18375	1.2
456.20059	1.4
457.20535	5.1
458.21075	3.4
459.17999	1.9
461.19827	3.2
462.19836	1.4
463.21008	1.3
466.20325	0.9
471.22638	3.7
472.23422	4.2
473.19662	5.0
474.20679	2.4
475.16968	1.2
476.18665	1.2
477.19434	1.1
484.19073	1.2
485.19922	3.7
486.20584	5.2
487.21091	3.0
488.22433	1.5
489.18478	1.8
489.23264	2.6
490.19370	4.3
491.20319	1.9
499.21368	10.4
500.22604	2.3
502.20364	0.9
503.25500	1.2
513.19360	5.7
514.19904	1.7
516.21783	2.1
517.22357	14.4
521.25568	1.3
527.20972	3.6
528.21759	1.1
529.22424	2.1
531.24518	9.0
543.24475	1.2
545.22009	1.4
549.25153	7.0
559.23480	74.5
560.23920	2.7
577.24683	3.1
587.22992	14.8
591.26160	4.8
605.23889	8.4
609.27264	1.5
619.25562	77.1
620.25720	2.6
636.08075	0.9
637.26611	100.0
637.48346	3.6
638.27081	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	636.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
56.50368	0.6
57.03408	0.8
57.51439	0.5
62.06094	6.5
63.92497	0.5
69.26058	5.4
70.06575	0.6
78.04716	0.6
79.05495	5.2
81.03385	0.8
88.36713	0.5
91.05475	5.9
93.03383	1.1
93.07037	1.0
95.04990	1.0
97.06519	0.7
98.20765	1.2
98.98459	1.0
103.05460	4.7
105.07036	18.8
106.04149	1.7
107.04965	4.3
108.05762	1.2
109.06499	1.3
115.05458	1.3
117.06989	0.7
118.04163	6.2
119.04953	4.0
120.05750	1.2
121.06483	4.3
122.07256	1.3
123.04428	1.0
123.08066	2.0
124.05195	1.2
131.04927	1.4
132.05692	1.1
133.06499	16.4
135.04456	3.0
135.08098	3.0
136.05135	0.7
137.06010	5.8
139.03864	0.7
146.03650	1.2
147.04417	1.5
148.05145	1.2
149.05998	7.2
150.06761	11.4
151.07556	5.1
161.05962	1.9
163.03937	1.8
165.09128	12.8
167.07040	11.6
173.02081	0.9
177.05489	2.8
178.06244	0.9
179.07011	2.2
181.08653	1.9
191.07018	0.7
193.08615	54.6
194.08853	0.8
198.05263	5.7
209.08113	17.9
211.09665	100.0
212.10011	1.1
216.06316	20.8
406.12817	0.9
430.43854	0.7
479.17090	0.6
636.13757	1.7
636.24066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01868	2.5
55.05267	0.7
55.05514	7.7
57.03202	0.6
57.03443	7.6
57.07066	0.8
59.04996	2.9
61.02926	1.7
65.03942	1.6
67.05509	59.1
67.76073	0.7
69.03429	2.6
69.07070	3.9
70.05922	1.7
71.04990	3.2
73.02915	1.6
79.05072	1.0
79.05505	13.7
81.03418	2.0
81.07065	14.3
83.04969	1.7
83.08630	7.4
85.02893	2.4
85.06544	1.5
91.05484	6.7
93.07051	19.4
95.04982	3.9
95.08615	22.6
96.49890	0.7
97.02906	3.3
97.06528	2.7
99.04467	2.5
103.04374	0.7
105.07036	5.1
106.84412	0.8
107.04958	4.4
107.08607	15.6
109.06511	2.0
109.10166	54.3
111.04416	1.5
111.08098	2.6
117.07032	5.6
119.08606	8.7
121.06502	3.5
121.10159	8.7
123.04429	1.1
123.08130	0.8
124.04758	0.7
125.05976	2.2
129.07019	1.2
130.07845	1.0
133.10136	1.7
135.08102	1.9
135.11708	27.2
137.09618	2.8
139.03990	0.9
139.07541	1.5
145.10136	16.1
153.12769	0.8
155.08534	0.8
155.10680	4.2
163.11191	36.0
173.11748	15.8
174.29169	0.6
177.53474	0.7
181.07053	0.6
181.12256	6.3
209.11684	1.1
211.13361	1.5
218.12822	0.8
227.12804	42.2
229.14371	79.8
230.14699	1.0
283.15421	42.0
314.43167	0.7
437.25394	100.0
438.25693	3.1
481.10172	0.8
482.78299	0.8
493.21494	1.0
555.74103	0.9
577.38196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01882	2.1
55.05508	1.2
57.51171	1.1
60.86818	1.1
63.02414	1.0
65.03949	5.7
67.05505	2.0
69.03443	1.0
69.31313	1.2
70.06599	6.0
70.86478	1.7
70.86813	1.2
74.44900	1.0
75.04462	1.1
79.05492	1.3
79.17189	1.0
81.07030	1.3
83.79380	1.0
85.02915	1.8
91.05483	4.8
93.03410	7.8
93.07047	2.6
94.50727	0.9
95.04961	2.8
97.06549	2.2
103.05444	2.1
105.07050	3.3
106.04169	7.0
107.04935	3.2
108.35026	1.2
109.06570	1.4
110.03660	5.0
111.04485	5.0
119.04922	1.5
121.02872	5.7
121.06525	8.1
123.04458	2.5
125.06017	11.8
133.06462	3.6
135.04364	1.5
137.05966	1.9
139.03932	3.0
149.02365	1.4
149.05995	11.7
151.03900	2.0
151.07542	2.0
153.01831	1.0
153.05495	17.3
153.09088	4.1
161.05962	7.9
163.03917	2.7
164.07051	1.0
165.64830	1.0
167.07068	4.2
177.05502	9.7
179.07057	2.0
181.06522	0.9
181.08557	6.9
191.07104	2.1
191.64128	0.9
193.06856	1.1
193.08569	5.9
195.08040	2.0
209.06348	1.5
209.08107	38.1
210.06802	2.0
211.07466	1.5
221.06172	1.4
221.09695	1.7
223.07498	1.9
225.09134	2.3
226.09909	1.0
227.07118	1.2
227.10503	1.0
234.06885	1.4
237.09116	1.5
238.06297	3.0
238.09914	2.4
239.07007	1.6
239.10710	1.8
240.07820	4.5
241.08604	1.6
249.09096	2.1
249.11356	1.3
251.06982	3.1
252.07790	1.8
253.08598	13.9
253.12263	4.4
254.09447	2.4
255.06560	1.4
255.10133	4.1
265.08444	1.4
266.09192	1.7
267.06549	1.3
267.10049	1.9
268.07367	2.1
269.08194	2.0
270.08740	2.4
281.08023	3.8
281.11746	5.2
282.09122	1.6
282.12805	1.1
283.09653	6.8
283.12943	2.0
284.10486	1.6
285.11316	2.7
285.14749	1.7
295.09671	2.2
297.11368	1.4
298.11966	1.8
299.12799	6.5
309.11234	5.6
310.12000	1.7
313.10681	8.3
313.14337	4.3
318.87772	1.1
327.12302	20.8
331.15399	3.7
341.13815	3.3
343.15579	1.1
359.14914	100.0
360.15222	2.8
361.16385	1.6
371.14926	4.3
555.55634	1.1
577.31805	1.0
634.22253	1.5
659.73645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03939	4.0
55.01862	3.9
55.05517	19.2
57.03426	5.8
57.07059	4.7
58.06590	5.6
59.04994	3.9
59.06112	6.2
65.03922	4.1
67.05506	100.0
69.03092	1.8
69.03432	29.0
69.07072	13.0
69.67512	9.4
71.01318	1.7
71.04980	6.1
78.41927	1.3
79.05495	34.8
81.03419	20.5
81.06593	2.6
81.07052	40.5
83.04977	9.4
83.08625	11.8
85.02892	5.7
85.06527	2.7
85.10210	1.5
91.05482	31.1
93.07050	33.0
95.04959	11.9
95.08073	1.8
95.08617	28.1
97.02882	5.5
97.06503	4.6
97.10168	7.0
99.04432	2.6
103.05483	1.9
105.07036	26.0
107.04959	3.6
107.08583	21.7
109.02863	5.1
109.06503	4.9
109.10160	52.3
111.04445	6.3
111.08062	4.3
113.06068	1.9
115.05451	3.0
117.07018	14.6
119.08590	23.3
121.06516	3.8
121.10152	13.7
123.04411	2.6
123.08079	2.5
123.11675	2.7
125.09615	5.4
127.03923	3.2
128.06215	2.8
129.05475	1.5
129.06989	11.0
130.07755	1.9
131.04921	2.9
131.08575	19.3
133.06497	4.3
133.10126	16.2
135.08040	5.8
135.11667	8.5
135.82401	1.3
137.09596	5.1
141.06975	4.6
142.07788	1.8
142.17146	1.7
143.08569	8.8
145.06496	3.0
145.10095	11.5
147.08075	3.3
147.11670	7.1
149.09616	3.2
149.13226	3.2
155.08582	4.8
155.10681	4.1
157.06454	1.9
157.10138	9.5
159.08070	3.7
159.11688	9.1
161.09592	2.9
161.13263	3.7
163.11151	3.2
167.08604	2.4
169.10149	4.5
171.08026	3.2
171.11697	6.2
173.09587	2.0
173.11722	12.7
173.13258	5.4
175.11276	2.2
181.10130	2.9
183.08118	1.4
183.11691	4.3
185.13235	4.5
187.14801	3.5
189.11166	2.1
195.11685	2.4
197.13213	3.2
199.14864	3.3
201.12749	2.4
205.16093	1.9
209.13420	1.8
225.12903	2.0
227.12672	2.2
229.14349	15.4
259.20532	3.1
271.20758	1.8
275.16296	2.1
275.20218	3.0
277.21561	2.2
283.17386	1.4
283.20462	2.1
285.37280	1.4
289.21631	2.2
297.12939	1.5
299.14929	1.9
301.21558	5.7
303.23123	1.9
313.27341	3.3
319.22733	2.2
327.23077	2.4
341.24646	2.8
345.23898	2.5
351.23151	6.3
369.24319	11.4
387.25357	6.8
405.26266	2.4
443.27744	4.9
461.28824	5.2
547.36200	2.0
597.37598	6.6
615.38666	7.5
633.39740	33.2
634.39166	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	632.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01880	1.4
55.05515	10.0
57.03428	3.8
59.04991	3.5
61.02903	1.5
61.39597	1.1
65.03921	2.7
67.05509	56.5
69.03417	1.6
69.07060	4.9
69.20722	7.6
69.21147	4.8
70.06578	1.6
71.04990	2.8
79.05070	2.1
79.05495	26.7
81.03410	4.8
81.07058	21.7
83.04976	5.2
83.08609	5.0
85.02892	1.9
85.06513	2.3
87.44572	1.2
91.05486	23.5
93.07048	28.9
95.04964	7.4
95.08603	11.3
97.06503	1.8
97.10149	1.7
98.20724	2.8
100.85052	1.2
105.07043	16.2
107.04934	3.1
107.08609	7.9
109.06512	3.3
109.10161	45.9
109.15881	1.3
111.08132	1.9
111.76057	1.2
117.07012	3.3
119.08568	13.5
120.20699	1.3
121.06505	2.0
121.10180	2.8
123.08087	2.0
129.07005	4.9
131.08603	1.8
133.10126	4.2
137.09627	3.5
143.08563	2.6
145.10124	3.8
147.11726	12.9
155.10681	4.6
161.09602	1.8
161.13246	3.2
163.11234	1.4
171.11665	9.4
173.11755	6.7
179.56920	1.3
189.12741	4.5
207.13864	10.2
229.14378	30.6
281.17496	27.2
435.27451	100.0
436.27740	2.0
632.33484	2.7
633.36542	1.7
659.09723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
53.05967	1.7
55.01870	2.9
55.05307	1.6
55.05518	17.6
57.03445	4.0
57.07077	21.7
59.04988	2.1
59.36116	1.5
65.03944	1.5
65.74903	1.4
67.05509	28.0
69.07074	20.2
71.05009	2.2
71.08644	16.1
76.91511	1.9
79.05495	22.4
81.03428	2.1
81.06592	2.3
81.07062	35.1
83.04974	3.9
83.08622	14.1
83.63624	1.5
85.10181	7.0
87.04447	1.9
88.90984	1.5
91.05474	11.9
93.07045	28.0
95.04970	5.8
95.08610	38.8
97.02893	2.0
97.06552	6.6
97.10168	6.3
99.08074	1.9
104.36747	1.6
105.07056	11.3
105.66373	1.4
107.04943	5.4
107.08598	23.0
109.06538	3.3
109.10168	12.6
111.11709	2.0
113.00021	4.2
114.77219	1.7
117.07032	6.5
119.08573	10.5
121.06509	4.5
121.10145	11.4
123.11694	4.2
130.07706	1.8
131.08563	3.8
133.10150	6.3
135.08028	1.9
135.11699	30.4
137.13371	1.4
145.10136	21.7
147.11687	3.7
149.09654	2.2
159.11691	3.6
163.11183	34.3
169.02643	4.3
181.12230	7.1
184.50780	1.6
209.11705	1.8
227.10527	3.5
227.12781	66.0
239.23671	3.0
259.20242	1.6
275.20120	5.1
277.21555	5.5
283.15353	2.8
293.20938	2.4
313.27588	2.4
339.29037	5.1
340.29199	2.3
341.30508	2.0
351.25180	4.3
521.38361	100.0
522.38629	2.8
615.48914	5.3
633.50586	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	632.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35315	0.3
60.44067	0.3
61.78436	0.3
62.06074	0.4
65.03935	0.7
67.05501	0.4
67.92824	0.4
69.30778	3.3
78.04700	1.6
79.05495	1.2
85.02879	0.6
91.05486	5.1
92.05840	0.4
93.03391	1.3
93.07047	0.7
94.04178	0.6
95.04948	0.8
96.13936	0.4
100.11248	0.4
103.05481	1.8
105.07031	2.3
106.04182	3.2
107.04966	1.7
109.06497	0.4
111.04440	0.5
118.04157	0.5
119.04960	6.0
120.84422	0.3
121.06521	5.0
121.14847	0.4
122.03655	1.0
123.04433	4.6
124.05212	1.2
125.05984	1.2
131.04929	1.5
133.02872	2.5
133.06485	1.9
134.03607	0.5
135.04457	0.7
135.08063	0.6
137.05989	20.2
147.04422	5.2
147.08043	0.6
148.05098	0.5
149.05991	7.1
150.06779	0.8
151.03938	0.7
151.07555	6.5
152.04695	1.2
153.05467	0.6
153.09100	1.2
159.04347	0.4
161.05986	7.1
161.09683	0.8
163.07544	2.3
165.05563	0.6
165.09103	0.7
166.06158	0.4
167.07050	100.0
168.07423	0.9
175.07491	0.5
177.05476	4.0
177.09071	1.0
179.07065	3.3
181.08595	15.6
187.07558	1.0
189.09111	1.0
191.07011	0.8
193.08595	5.1
205.06868	0.4
205.08656	1.5
207.10168	0.8
209.08099	7.0
209.09924	0.6
210.08708	0.4
211.09665	28.6
217.08659	1.2
221.05949	0.7
222.06752	0.4
225.09122	0.6
237.09180	0.6
253.08693	0.5
254.74998	0.3
256.06949	0.4
265.08633	1.2
267.10071	0.7
275.91989	0.5
279.10211	0.7
284.64755	0.4
285.11200	1.8
295.02386	0.5
296.02847	0.5
297.11270	1.9
299.05374	0.6
299.12582	0.4
311.12680	1.9
312.81992	0.4
315.12277	2.2
323.12921	0.4
327.05026	1.1
328.05365	1.6
341.13861	1.2
359.14896	1.1
360.15454	0.7
361.15936	1.4
452.47748	0.5
479.09717	0.7
480.10083	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	632.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20193	0.5
52.89705	0.4
53.03940	1.0
55.01859	0.6
62.06100	0.7
65.03940	1.2
67.05499	0.8
70.06588	0.9
72.76527	0.5
72.84202	0.5
78.04705	1.9
79.05495	1.6
81.07087	0.8
81.49077	0.5
85.02888	0.8
91.05478	5.7
93.03413	1.8
93.07042	1.6
95.04957	1.2
97.06548	0.9
98.20722	1.1
103.05462	1.8
105.07034	2.2
106.04200	2.7
107.04939	2.3
117.03365	0.7
119.04947	6.2
121.06515	6.5
122.03658	0.6
123.04431	5.4
124.05196	0.8
125.06020	0.7
131.04947	2.3
133.02864	2.0
133.06480	1.9
134.03647	1.0
135.08099	1.0
137.05992	17.8
147.04413	4.0
149.06001	6.4
151.03957	1.6
151.07555	5.9
152.04666	1.1
153.05515	0.7
153.09152	1.3
161.05991	7.0
161.09645	1.0
163.07539	2.1
165.05579	0.8
165.09145	1.6
167.07053	100.0
168.07397	0.8
177.05518	4.2
179.06989	3.1
181.08611	12.7
189.09109	1.2
191.07002	0.9
193.08609	6.4
205.08662	1.5
209.08098	6.2
211.09674	26.7
217.08644	0.6
224.08037	0.6
225.09090	0.7
229.21085	0.6
254.08896	0.6
265.08566	1.0
269.04276	0.9
276.72778	0.7
285.11172	1.5
295.02332	0.7
297.03946	1.1
297.11316	1.4
306.13361	0.8
311.12625	0.8
315.12454	2.2
327.05115	0.8
328.05301	1.5
329.13843	0.9
332.85767	0.6
341.13660	0.9
359.14944	1.7
360.15338	1.1
361.15778	1.2
405.46021	0.6
479.09622	1.0
480.10028	2.7
495.06064	0.8
620.31018	0.7
632.23102	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28259	4.2
53.03950	4.3
55.01875	11.6
55.05308	3.8
55.05521	38.6
57.03438	14.7
57.07072	17.8
64.59910	3.8
65.03940	5.1
65.37739	4.2
67.05511	100.0
69.07073	38.9
71.08629	22.2
71.50617	5.2
79.05504	54.4
79.34554	4.2
81.03412	8.5
81.07068	82.9
83.04988	8.3
83.08640	25.1
87.71226	3.8
91.05500	36.9
93.07056	59.1
95.04964	11.8
95.08607	53.2
97.06526	12.9
97.10163	19.2
99.08087	8.1
101.07391	3.8
105.07032	33.4
107.08600	36.9
109.06542	7.1
109.10173	33.3
111.08073	7.3
115.05443	5.1
117.07006	10.1
119.08600	36.4
121.10153	28.7
123.08049	4.7
123.11721	10.6
125.09627	7.0
129.07028	11.1
131.08589	18.5
133.10153	20.0
135.11687	19.0
137.09685	7.0
143.08566	13.0
145.10144	17.3
147.11707	16.3
149.09679	5.4
149.13312	8.0
151.11209	14.0
159.11784	10.3
161.13297	11.8
163.11186	13.0
171.11688	8.1
173.11868	4.6
173.13333	5.9
175.14854	9.2
179.14359	18.6
185.13295	4.2
187.14754	5.9
189.16357	5.4
199.75189	4.3
227.12801	17.5
229.14407	6.1
277.21622	35.9
295.22928	6.5
337.27322	24.4
351.25290	10.0
353.90887	4.9
385.34592	10.4
459.38470	6.8
499.37845	5.1
515.40955	4.9
517.38879	18.1
519.37012	16.6
613.48077	54.5
631.40729	5.0
631.49255	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	631.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.9
53.03937	3.7
55.01888	1.0
55.05518	11.8
57.03440	2.5
57.07077	23.5
65.03944	2.0
67.05508	30.0
69.07076	10.2
69.30505	1.0
69.30904	5.6
69.49160	0.7
71.05006	1.4
71.08644	17.1
73.48933	0.8
79.05500	29.2
81.03428	4.2
81.07063	29.5
83.04988	7.1
83.08618	9.6
85.06532	1.7
85.10189	7.2
91.05489	23.2
93.07044	23.4
95.04979	7.8
95.08614	24.1
96.36111	0.7
97.06543	1.8
97.10191	4.5
99.08137	1.4
103.05458	0.9
104.26302	0.8
105.04533	1.2
105.07040	16.4
107.04971	2.8
107.08595	8.7
109.06532	2.4
109.10146	8.5
113.00034	8.7
117.07037	3.1
119.08598	10.8
121.10149	1.7
123.08068	1.4
123.11700	1.8
128.06253	1.3
129.07008	7.6
131.08589	1.9
133.10121	4.0
135.08162	0.8
135.11687	1.1
143.08582	3.8
145.10092	4.4
147.11699	12.4
149.09607	0.7
151.07590	0.9
159.11783	0.8
161.09680	2.1
161.13269	5.0
163.14760	0.8
169.02608	7.4
171.11674	9.5
189.12796	4.0
191.82257	0.8
207.13805	12.3
225.14899	2.1
239.23727	1.3
277.21545	1.1
281.17444	4.9
313.27390	2.6
437.10547	0.8
483.98248	0.8
519.40466	100.0
520.40729	2.9
613.48340	1.5
631.49115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69966	0.6
53.03954	3.2
55.01875	1.4
55.05520	8.9
57.03439	1.3
57.06800	0.5
57.07083	19.2
65.03934	1.8
67.05511	25.5
69.07078	8.1
69.49303	3.8
71.05009	1.0
71.08639	11.6
73.90168	0.6
75.25426	0.5
79.05502	27.5
81.03424	2.7
81.07064	22.8
83.04975	4.7
83.08627	7.9
85.06541	1.2
85.10201	7.1
91.05487	19.8
93.07053	19.4
94.07415	0.6
95.04979	6.6
95.08613	21.0
97.06556	1.5
97.10182	4.4
105.04519	0.8
105.07047	12.6
107.04971	2.1
107.08606	6.2
109.06554	1.5
109.10180	5.3
113.00041	8.8
117.07027	2.9
119.08587	8.5
121.06521	1.1
121.10169	2.5
123.08093	2.1
123.11718	1.7
128.06181	1.4
128.38205	0.6
129.06998	5.4
131.08568	1.5
133.06497	0.6
133.10164	3.4
135.11751	1.3
143.08588	2.4
145.10207	3.3
145.11159	0.6
147.08095	1.1
147.11694	11.0
161.09608	1.1
161.13216	3.1
169.02635	6.1
171.11713	9.0
189.12775	4.2
207.13821	12.7
225.14961	2.0
227.12888	0.7
239.23785	2.5
275.20004	0.8
281.17465	3.8
313.27435	2.0
328.61386	0.7
339.28696	0.7
346.65012	0.6
351.25482	0.6
358.94431	0.6
407.25830	0.8
471.11691	0.6
519.40503	100.0
520.40619	4.2
551.31226	0.7
613.48157	1.1
631.48792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.9
53.00304	0.7
53.03935	3.5
55.01860	1.9
55.05516	12.3
57.03425	2.3
57.07080	21.0
58.21644	0.7
59.04945	0.9
60.40571	0.8
64.15633	0.8
65.03934	1.2
67.05510	30.5
68.05843	1.1
68.48408	0.7
69.07079	10.2
71.04965	1.6
71.08289	1.2
71.08635	14.5
71.16371	1.9
71.68053	0.7
79.05497	26.2
80.05859	0.8
81.03413	4.0
81.07059	27.0
83.04988	4.9
83.08617	7.9
85.06551	1.6
85.10201	6.8
91.05486	22.1
93.06496	1.3
93.07050	21.4
95.04964	7.5
95.08614	24.4
97.06519	1.6
97.10159	4.8
105.02286	0.7
105.07021	14.6
107.04939	2.3
107.08608	5.8
109.06514	3.6
109.10154	8.1
113.00019	9.8
117.07013	3.4
119.08595	9.5
121.10128	2.3
123.08065	1.8
123.11725	2.5
128.06175	1.4
129.07031	6.5
131.08545	2.7
133.10117	3.6
135.07988	1.3
135.11681	1.7
137.09622	1.1
137.13293	1.0
138.17227	0.8
143.08591	2.9
145.10121	3.7
147.08055	1.0
147.11693	12.8
159.11707	1.1
161.09622	2.6
161.13239	3.4
163.11140	1.0
169.02620	6.2
171.11682	9.4
174.75581	0.8
189.12730	4.7
207.13799	15.0
212.20175	0.8
225.14796	1.8
239.23648	2.9
251.16821	0.8
276.20758	1.0
279.65985	0.8
281.17401	4.2
291.19818	0.9
313.27283	2.1
405.20282	0.9
407.25500	1.7
519.40454	100.0
520.40729	2.6
608.96271	0.8
613.48883	0.9
631.48596	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.01872	8.2
55.05266	2.7
55.05511	29.4
57.03440	11.8
57.07077	3.5
59.04995	5.2
64.15476	1.8
65.03934	6.1
66.93407	1.7
67.05508	100.0
69.03081	3.0
69.03428	24.1
69.07072	15.2
69.41961	14.6
71.01361	2.2
71.04986	5.0
79.05495	44.5
81.03430	26.3
81.07058	46.6
81.98553	2.0
83.04955	9.0
83.08627	16.3
84.89423	2.0
85.02902	6.2
85.06556	3.8
91.05482	45.8
93.07048	32.9
95.04975	15.3
95.08610	23.9
97.02898	9.5
97.06544	4.3
97.10178	15.2
98.20806	3.9
99.04443	4.7
101.02380	2.4
101.06054	2.3
105.07036	38.4
107.04977	15.2
107.08587	22.2
109.02883	6.5
109.06529	7.4
109.10161	61.4
111.04477	5.5
111.08041	4.6
112.84980	1.8
115.05445	3.4
117.07027	21.0
119.08575	27.1
121.06497	5.7
121.10168	12.6
123.04395	3.4
123.08109	5.2
125.09640	13.2
127.03927	6.7
128.06261	9.1
129.06999	22.6
130.07814	2.3
131.04887	3.7
131.08563	28.4
133.06496	5.4
133.10129	18.0
135.08035	10.6
135.11707	5.2
137.09625	5.0
141.07024	8.6
142.07773	4.0
143.08563	21.3
145.06503	6.6
145.10112	20.7
147.08044	4.4
147.11682	8.4
149.09680	6.1
149.13264	2.2
151.07637	2.1
153.07076	2.4
154.07797	3.0
155.08575	13.3
155.10629	5.4
157.06525	2.4
157.10133	15.9
159.07996	4.4
159.11711	13.4
161.09552	4.7
161.13251	3.7
163.11166	4.1
165.07039	4.0
167.08575	8.3
167.10732	2.2
168.09396	2.9
169.10130	12.4
171.08046	5.2
171.11688	15.4
173.09669	5.1
173.11763	13.4
173.13243	5.7
175.11154	3.3
177.12729	1.9
178.07738	2.2
179.08521	3.5
180.09351	3.2
181.06543	2.0
181.10133	8.6
183.08063	4.2
183.11705	10.5
185.09608	5.6
185.13287	8.2
187.07545	2.1
187.11241	4.8
187.14847	3.9
189.09331	1.9
189.11246	9.4
189.12743	2.4
193.10156	3.2
195.08006	2.8
195.11765	6.1
197.09636	4.4
197.13275	7.1
199.11235	4.2
199.14861	5.1
201.12804	3.8
207.11780	3.7
209.09702	2.5
209.13245	6.5
211.11206	5.0
211.14896	4.6
213.09142	2.8
213.12775	3.4
215.14189	2.2
217.12189	2.8
219.11835	2.8
221.13290	3.7
223.11211	2.1
225.12779	2.7
227.12816	5.8
229.14328	18.8
239.14244	3.6
241.12175	2.1
241.15999	2.2
245.13873	5.8
255.17586	2.1
259.20621	4.9
263.60492	2.1
265.15765	2.2
271.20566	2.9
275.20081	3.6
279.17651	1.8
279.20834	2.0
283.20450	3.0
295.20618	3.1
299.14862	2.5
299.20068	6.0
301.21637	3.2
313.21646	3.4
317.21011	2.4
321.22281	3.4
325.21643	4.5
329.04227	2.1
337.21664	2.9
339.23132	7.0
349.21661	9.2
351.23145	7.2
355.17429	3.8
357.24405	2.2
367.22656	15.7
369.24561	4.6
385.23795	8.4
387.25055	2.2
441.26251	3.5
459.27560	2.9
528.66467	2.0
541.35510	2.1
566.68207	2.1
583.36285	6.8
595.36353	19.5
613.37323	27.0
631.38428	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47850	1.1
53.03943	5.4
54.82286	1.4
55.01875	5.5
55.05515	31.9
57.03440	9.2
57.07068	3.1
59.05003	2.7
65.03948	6.8
67.05508	100.0
69.03429	24.4
69.07075	16.2
71.01363	1.7
71.05035	6.2
71.52339	1.7
73.02935	1.4
79.05496	40.8
81.03421	26.9
81.07058	42.4
83.04996	10.2
83.08627	15.9
85.02914	7.6
85.06561	4.6
90.67678	1.3
91.05483	50.4
93.07045	33.4
95.04970	14.3
95.08610	25.9
97.02898	7.2
97.06530	2.5
97.10170	15.0
99.04460	4.2
101.02378	1.8
103.05482	3.1
105.07034	38.0
107.04971	16.3
107.08596	19.7
109.02887	5.9
109.06515	6.2
109.10162	55.3
111.04469	5.1
111.08105	5.9
113.06025	1.9
115.05473	4.4
117.07021	20.7
117.19541	1.4
119.04967	1.7
119.08592	32.2
121.06501	7.2
121.10149	10.8
123.04438	2.0
123.08095	4.6
125.06016	1.5
125.09627	12.5
127.03922	4.7
128.06216	8.7
129.05525	2.7
129.07007	18.2
130.07780	2.8
131.04930	1.7
131.08563	24.8
133.06499	5.2
133.10144	16.3
135.08047	10.1
135.10796	1.4
135.11668	6.2
137.06032	1.4
137.09657	5.3
141.06987	8.1
142.07774	5.2
143.08569	23.0
144.05650	1.4
145.06512	5.1
145.10130	23.5
147.08078	6.6
147.11681	6.8
149.09616	7.7
151.07562	2.5
151.11232	2.9
152.31351	1.3
153.06999	2.3
154.07793	3.7
155.08542	13.9
155.10695	3.8
156.09378	1.7
157.06551	4.7
157.10147	16.1
159.08081	5.6
159.11717	12.9
160.08751	1.4
161.09659	4.7
161.13289	4.2
163.11227	3.2
165.07053	2.3
166.07837	2.1
167.08566	10.9
167.10855	1.5
168.09346	2.6
169.06514	1.7
169.10123	12.5
171.08073	6.7
171.11674	14.8
173.09633	6.6
173.11768	14.4
173.13298	8.7
175.07516	1.4
175.11113	2.8
177.12999	1.2
179.08566	4.1
180.09416	1.9
181.06593	1.4
181.10149	9.0
183.08153	4.7
183.11722	10.5
184.08685	1.6
185.09659	5.6
185.13277	7.2
187.11255	4.5
187.14824	2.7
189.11287	8.8
189.12802	2.5
191.08556	1.5
193.10182	3.8
195.08122	2.5
195.11691	7.9
196.08594	1.6
197.09682	3.5
197.13202	6.9
199.11281	5.1
199.14874	3.0
201.12735	2.7
207.11797	3.8
209.09740	2.8
209.13300	5.1
211.11221	5.2
211.14803	3.1
213.12775	3.9
213.16519	2.4
215.10693	1.5
215.14291	1.7
221.13412	2.0
221.15398	1.6
223.11253	2.6
223.14821	3.3
225.12662	1.7
225.16438	1.8
227.12802	4.9
229.12289	1.6
229.14354	17.8
233.15349	2.2
237.12862	2.5
239.14214	2.3
245.13713	6.7
257.15756	1.5
257.19113	2.2
259.20624	6.3
271.20630	2.3
275.20157	3.6
283.20667	2.1
285.22174	1.9
295.20575	2.6
299.14874	1.8
299.20105	4.3
301.21854	1.6
311.20071	2.4
313.21756	5.3
315.23169	3.2
321.22202	3.2
323.23743	1.9
325.21692	4.5
333.22101	1.7
337.21765	3.0
339.23300	4.0
341.21274	1.6
349.21783	9.8
351.23026	6.7
355.17792	2.4
367.22675	13.2
369.24335	6.0
385.23743	6.8
387.25613	1.6
403.24814	2.2
427.16202	4.0
428.17206	1.9
441.13971	2.2
441.26550	5.8
442.18878	2.1
443.19223	4.8
455.15726	4.7
459.27750	4.9
469.17386	5.3
470.18216	3.2
487.34695	2.0
499.17645	1.5
503.33829	1.6
521.32703	1.6
529.34106	1.5
539.33997	2.3
541.35431	2.9
543.21625	6.8
553.35126	1.7
571.20599	15.2
571.35992	1.9
583.36322	5.9
595.36212	20.0
599.19989	3.6
603.23566	2.0
613.37366	23.7
631.23328	8.6
631.38458	52.9
632.39398	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	630.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84015	0.7
55.05514	5.7
57.03436	0.7
57.07077	30.0
59.04989	1.1
67.05506	7.9
68.29722	0.8
69.03423	0.7
69.07072	4.0
69.96240	0.7
71.04973	0.9
71.08635	24.5
71.51085	1.2
73.06561	7.6
79.05492	3.0
81.07058	5.5
83.04974	0.8
83.08626	4.2
85.10186	19.9
87.04478	7.2
89.06036	100.0
91.05470	3.6
91.07601	1.0
93.07029	3.7
94.23451	0.8
95.08607	2.4
97.06525	1.4
97.10178	4.9
99.11748	4.2
105.07048	3.4
107.07056	2.3
107.08599	2.7
109.06497	1.0
109.10147	4.4
113.13341	1.4
117.07024	1.4
117.09140	6.5
119.08617	2.1
121.10156	1.3
129.07008	1.3
130.08643	1.0
131.07056	2.4
131.08614	2.4
133.08606	48.6
135.10191	0.9
135.11761	1.0
143.08578	1.0
147.11803	0.7
151.09586	0.7
155.08540	0.9
155.17963	5.4
157.10135	1.2
159.11880	1.0
160.14120	0.8
161.11751	2.4
171.11714	0.9
173.11824	1.1
175.09686	2.3
177.11240	20.1
183.11745	1.3
191.37862	0.9
195.12160	0.7
199.20604	3.4
207.11710	1.1
221.13824	4.0
227.12802	1.2
243.23259	6.5
265.16522	1.6
283.17621	1.3
287.25821	5.3
309.28036	2.4
459.27917	2.3
612.36041	0.9
612.45856	1.2
613.45508	2.8
630.47284	3.1
631.38544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
61.49919	0.6
62.06079	1.1
62.44115	0.5
65.03940	6.0
67.05516	0.9
70.06574	0.6
70.41594	1.6
70.41946	0.9
79.05482	1.7
80.58376	0.6
82.04195	1.0
85.02906	0.9
87.04510	0.5
91.05486	5.9
93.03419	3.4
93.82121	0.5
94.04173	0.8
95.01306	0.7
95.04980	1.7
103.05482	1.6
105.03357	0.8
105.06989	1.8
107.04945	2.3
109.02901	0.8
109.06487	0.9
110.03689	3.7
111.04465	4.8
115.05442	0.7
117.07005	1.1
119.04956	7.5
121.02881	4.3
121.06504	2.5
122.03649	0.9
123.04433	2.7
125.06004	6.8
128.06271	0.9
129.07002	2.3
131.04942	2.9
131.08580	0.8
133.02875	2.1
133.06476	1.5
135.04399	1.0
135.08099	0.8
137.05989	12.8
138.03111	0.7
139.03891	2.4
145.06532	1.8
147.04431	10.0
149.02333	1.9
149.05978	2.6
151.03932	2.1
151.07556	2.7
153.04378	0.6
153.05475	16.1
157.06506	3.0
158.07291	0.7
159.08063	0.9
161.05981	4.3
161.09567	1.6
162.06816	1.0
163.04013	1.0
163.07527	2.3
165.05460	1.1
165.06877	0.7
167.07059	2.7
174.06795	1.4
175.07626	3.3
177.05510	3.5
177.09081	0.7
179.07028	4.8
181.05014	5.2
183.08037	0.7
187.07494	1.4
188.08282	1.1
189.05325	0.6
189.09128	6.4
191.06992	0.7
191.08600	0.6
193.08620	1.5
194.07384	0.8
195.08061	2.4
197.06021	0.7
197.09570	0.7
203.07088	1.0
207.06453	0.6
209.06430	0.8
209.08112	4.7
210.06827	1.8
211.07539	1.3
212.08235	0.8
213.09120	1.0
217.08591	1.0
219.08167	0.8
219.10181	2.1
221.08022	1.6
221.09833	1.1
223.07510	2.0
223.11121	0.6
224.08258	0.8
225.09131	1.6
227.06941	1.2
234.06749	1.6
235.07561	1.1
235.09642	0.9
237.09108	2.2
238.06230	1.8
238.09891	2.3
239.07033	1.5
239.10652	1.4
240.07860	5.1
249.09048	1.3
250.09814	0.7
251.07076	1.6
251.10768	1.0
252.07817	1.7
253.08653	10.5
253.12210	4.1
254.09378	1.1
255.06512	1.2
255.10248	2.9
257.08173	1.3
263.07047	0.8
265.08615	1.4
266.09375	2.1
267.10257	1.8
268.07339	1.7
269.08023	1.2
270.08942	2.1
277.08594	1.4
278.09253	0.7
279.07068	0.6
279.10205	1.6
281.08139	3.2
281.11798	4.0
282.08633	0.7
283.09677	5.4
283.12549	0.8
284.10474	2.1
285.07648	0.7
285.11176	2.6
285.14511	1.3
294.08829	1.0
295.09659	2.1
297.11230	2.6
298.08786	0.7
298.12125	1.8
299.09680	0.9
299.12796	5.1
300.10031	1.5
309.11130	5.0
310.12094	1.7
311.12799	1.5
313.10715	5.7
313.14355	3.1
326.11377	0.9
327.12292	18.5
328.13074	1.7
329.13837	12.1
331.15442	2.6
339.12350	3.2
341.14142	3.1
342.99167	1.2
357.13272	5.2
359.14902	100.0
360.15182	2.4
371.14923	11.0
375.14365	0.7
389.16046	12.5
390.16589	1.0
483.75952	0.6
630.27576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01859	3.3
57.03433	3.7
61.02917	2.3
62.94161	0.8
64.22703	0.7
65.03937	2.9
67.05492	1.9
67.75732	0.8
69.03436	6.0
70.23054	2.8
71.04979	0.7
73.02910	1.2
73.68092	0.7
79.05482	6.3
80.06263	1.4
81.03433	3.7
85.02913	11.6
91.05486	29.3
93.03383	1.8
93.07047	3.0
95.04977	3.5
97.02891	5.7
98.20795	1.1
103.05479	7.3
105.03456	1.1
105.07034	31.7
106.04182	1.4
107.04954	8.8
108.05709	2.4
109.02854	1.7
109.06503	2.2
115.05444	5.9
117.07009	2.0
118.04129	1.9
119.04945	32.2
121.06513	7.4
123.04440	4.8
123.08064	5.9
125.06006	1.9
127.03929	2.3
130.08620	1.0
131.04935	5.7
132.05696	2.2
133.06505	32.5
135.04434	3.3
135.08014	1.0
136.05164	4.7
137.05998	4.9
138.03183	0.9
143.06035	1.8
145.05003	1.3
145.06445	2.5
146.08134	1.4
147.04425	10.4
148.05112	1.4
149.05988	8.4
151.07552	38.3
153.04311	1.3
153.05470	14.0
154.06224	1.1
155.07011	1.1
160.05179	1.9
161.05989	60.8
162.06331	1.0
163.03897	7.1
163.07549	2.4
165.05447	6.9
167.07047	22.5
173.06020	6.3
175.03790	0.8
176.04663	1.1
177.05492	15.1
178.06050	1.2
179.07043	100.0
180.07820	4.3
181.08560	5.8
183.10213	1.2
189.05467	1.2
190.06203	1.1
191.07030	12.3
192.07867	7.4
193.08614	91.9
195.06508	4.9
195.10197	0.9
197.08099	80.4
198.08710	2.2
199.09656	5.5
205.08696	4.0
207.06517	3.8
209.08076	15.3
210.08900	1.9
221.08093	2.5
223.09683	9.6
235.09641	4.5
239.09230	0.9
245.05016	1.0
253.10789	0.8
263.09076	1.0
265.10764	0.9
287.09073	0.8
307.11417	1.2
341.12497	1.7
357.13385	2.7
377.15942	7.2
389.15927	7.2
407.17252	1.6
468.22098	1.0
630.27490	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	630.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
54.77257	1.1
55.01871	2.8
57.03440	3.3
61.02922	1.5
65.03923	1.3
67.05530	2.0
69.03426	4.2
69.48376	7.3
72.42668	1.2
76.27471	1.0
78.81258	1.1
79.05499	8.6
81.03430	3.1
85.02914	12.8
91.05486	26.9
93.07055	5.0
95.04993	3.2
97.02901	6.8
98.20759	2.4
99.04451	2.3
103.05496	6.0
105.07042	29.5
106.04173	1.4
107.04972	9.5
108.05750	2.8
108.81500	1.3
109.02932	1.4
109.06541	3.2
115.05451	4.1
117.07076	2.7
118.04164	3.9
119.04951	31.8
121.06509	7.2
123.04440	4.7
123.08054	6.6
125.05976	1.8
127.03907	2.9
131.04945	4.8
132.05708	2.3
133.02925	1.6
133.06505	25.6
135.04433	3.5
136.05209	4.3
137.06026	4.1
143.06097	1.7
145.06517	2.2
147.04427	8.0
149.06010	6.6
151.07553	38.3
153.05476	13.5
161.06000	46.5
163.03935	6.8
163.07613	2.2
165.05531	5.6
167.07053	23.2
173.06079	6.1
177.05511	14.9
179.07051	100.0
180.07809	4.4
181.08577	5.5
183.10202	2.7
191.07031	12.8
192.07896	6.5
193.08630	83.0
194.08955	1.9
195.06583	5.1
197.08115	84.9
198.08783	2.3
199.09683	3.9
205.08624	4.5
207.06541	4.5
209.08057	14.4
210.08792	2.2
221.08150	3.2
223.09651	9.0
235.09692	3.6
253.10922	1.5
341.12402	1.6
355.93387	1.5
357.13373	3.1
377.15985	6.8
389.16086	10.2
433.22171	1.6
615.44989	1.2
630.27338	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	630.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01872	1.7
57.03443	0.7
61.02906	0.3
62.06097	2.2
65.03940	0.9
65.04680	0.4
67.05496	0.6
68.97854	0.4
69.03429	0.6
70.73299	0.7
70.73618	0.6
78.04721	0.5
79.05499	3.8
81.07071	0.4
84.53694	0.4
85.02904	1.6
86.06116	0.4
89.03889	0.5
90.04673	0.4
91.05492	10.8
93.03397	0.6
93.07046	1.1
95.04966	0.9
97.02915	0.5
103.05460	4.3
105.04529	0.5
105.07036	33.4
106.04185	1.5
107.04970	1.9
109.02876	0.4
109.06552	0.9
115.05466	5.4
118.04149	2.4
119.04955	9.7
121.06508	3.6
123.04421	1.4
123.08087	2.6
125.06001	1.1
131.04924	1.6
132.05707	0.6
133.06499	34.6
134.03615	0.4
135.04448	0.7
136.05174	1.5
137.05991	1.2
143.04991	0.8
143.06050	2.5
145.06509	0.7
147.04399	2.6
149.05995	4.4
151.07549	10.5
153.05455	2.8
153.09027	0.5
154.06288	0.5
161.05989	79.5
162.06380	0.7
163.03836	0.5
163.07559	0.5
165.05501	1.4
167.07043	8.6
173.05992	1.3
177.05487	4.6
179.07043	27.1
180.07715	0.4
181.08578	3.4
182.09415	1.6
191.07047	1.5
192.07899	1.0
193.08618	100.0
194.08968	1.1
197.08110	16.2
198.89439	0.5
200.98355	0.4
205.08560	0.6
209.08099	8.3
210.08864	3.8
211.09657	0.6
223.09613	2.7
224.11281	1.4
235.09599	0.4
248.00923	0.4
377.15964	0.6
389.15936	1.2
446.81293	0.4
526.23090	0.4
630.27802	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	629.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.6
55.01876	13.7
55.05517	42.5
57.03442	7.4
57.07087	9.2
57.83661	1.0
65.03937	4.7
67.05511	87.6
69.03424	2.5
69.07076	45.5
71.04992	3.5
71.08632	7.7
75.34290	1.0
77.03945	2.1
78.88892	0.9
79.05502	62.4
81.03426	7.4
81.07064	86.7
82.07368	1.3
83.04989	10.8
83.08629	27.6
85.02946	1.0
85.06541	4.2
85.10168	1.3
89.06018	1.5
91.05488	45.0
93.07050	51.1
94.07346	1.3
95.01335	1.5
95.04978	15.2
95.08612	46.5
97.06535	14.0
97.10180	18.6
99.08092	3.6
103.19684	1.0
105.04517	2.9
105.07043	41.7
107.04974	8.2
107.08605	30.0
109.06510	7.8
109.10165	23.7
111.08095	4.2
111.11733	2.5
113.00021	6.3
113.06031	2.1
113.09615	1.6
115.05450	1.7
117.07043	10.2
119.08592	30.7
121.06493	4.2
121.10146	17.2
121.11021	1.1
123.08083	4.4
123.11716	8.2
123.66042	0.9
125.09657	4.1
128.06252	2.0
129.07031	6.6
131.08586	13.9
133.06483	1.2
133.10147	20.7
135.08081	2.8
135.11694	13.4
137.09653	3.7
137.13239	1.7
141.07005	1.9
143.08601	5.1
145.10136	13.3
147.08075	2.1
147.11705	14.3
148.59308	1.1
149.09630	6.1
149.13280	5.0
151.11182	2.7
153.12781	1.9
155.08531	2.3
157.10136	4.2
159.11707	7.7
161.09599	2.7
161.13275	8.3
163.11205	3.0
163.14856	2.1
165.09140	1.1
165.12695	1.4
165.16422	1.0
169.02631	3.6
169.10167	1.9
171.11732	8.3
173.13248	3.5
175.11238	1.5
175.14842	2.4
177.12772	3.2
177.16434	1.2
179.14325	4.0
187.11128	1.8
187.14789	2.0
189.11217	3.0
189.12802	3.3
195.13814	1.4
197.13326	1.5
199.14912	1.4
203.17850	0.9
207.13817	5.7
219.17520	2.1
223.13284	4.0
227.12881	3.0
229.14201	1.4
230.18283	1.1
233.15364	1.4
237.22115	7.2
239.17979	1.5
245.22617	1.8
247.20813	1.2
257.19028	2.9
263.20230	1.3
273.18509	4.1
275.20099	25.0
277.03598	1.2
277.21710	1.7
281.17441	2.2
291.19620	8.7
292.19827	1.2
293.20999	5.2
311.25995	1.4
313.27634	1.2
329.63416	1.1
331.26456	1.3
335.25482	1.4
337.27438	14.3
339.28979	2.7
340.29190	1.6
349.23819	7.8
351.25409	1.5
425.34473	1.2
449.30576	1.2
469.16302	1.2
517.38947	100.0
518.39447	5.6
529.39325	2.4
531.40521	14.3
611.37885	1.5
611.46820	22.7
629.38306	2.0
629.47754	21.7
630.47968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.5
51.02368	1.3
51.02768	1.2
53.03946	8.5
55.01876	9.0
55.05514	50.8
57.03441	9.1
57.07076	12.9
65.03938	7.9
66.29146	1.4
67.05508	100.0
68.05841	3.3
69.03439	2.1
69.07071	44.1
71.04992	5.3
71.08634	18.3
71.51370	2.0
73.76725	1.2
78.04698	1.7
79.05497	81.6
81.03436	7.2
81.07059	97.6
82.07399	3.4
83.04987	11.8
83.08617	27.2
85.06537	6.2
85.10169	2.9
89.06031	2.7
91.05482	56.2
92.05824	1.9
93.07047	71.4
95.04967	20.1
95.08609	61.0
96.05304	3.1
96.08936	1.7
97.06535	14.1
97.10181	16.9
99.08090	9.8
99.56754	1.2
103.05482	1.3
105.04534	3.3
105.07038	42.4
107.04971	7.9
107.08599	38.8
109.06520	17.1
109.10149	22.8
110.06877	2.4
111.08078	4.5
111.11741	2.9
113.00013	6.9
113.06027	3.1
113.09686	2.1
115.05479	2.4
117.07005	13.5
119.08585	29.5
120.70967	1.3
121.06511	2.8
121.10150	26.5
121.11019	1.6
123.08098	7.9
123.11678	9.3
125.09639	6.4
128.06268	2.1
129.07024	10.8
131.08542	17.1
133.06488	2.2
133.10139	19.8
134.10504	1.8
135.08054	10.1
135.11697	21.5
136.11984	1.7
137.09593	2.8
137.13251	1.8
141.09109	1.5
143.08553	7.8
145.10118	16.4
147.08029	2.2
147.11694	21.1
149.09598	3.6
149.13290	8.0
151.11140	7.5
153.09164	1.4
153.12820	2.0
155.08528	2.3
157.10129	4.4
159.11691	11.6
161.09706	2.4
161.13232	9.4
161.18332	1.7
163.11189	4.6
163.14836	2.7
165.12790	2.3
169.02678	3.5
169.10033	2.4
171.10408	1.5
171.11707	7.2
173.11894	1.5
173.13269	5.1
175.14760	3.0
177.11378	1.4
177.12759	4.3
179.14304	27.2
185.13225	2.0
187.14859	2.0
189.11220	2.8
189.12750	3.3
195.13812	3.1
199.14893	2.4
201.16408	2.6
205.15878	2.8
207.13852	7.1
227.12733	8.5
237.22163	5.5
245.29773	1.3
257.18857	3.5
259.20651	3.4
273.18390	4.3
275.20059	14.2
277.21640	19.9
280.53302	1.9
281.17401	3.3
291.19553	5.7
292.19846	6.5
293.21115	13.1
294.21207	2.1
295.22626	1.8
311.25922	1.6
331.26358	14.6
335.25787	26.0
337.18057	1.6
337.27423	9.3
339.28586	2.3
349.23764	5.2
351.25287	6.9
354.00458	1.5
443.35269	2.0
449.30038	2.7
507.36954	2.6
517.38892	81.5
518.39093	4.1
529.38409	1.5
531.40161	10.2
611.46796	40.0
629.47668	30.5
643.52484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01872	6.5
55.05522	30.5
57.03449	12.0
57.07068	8.5
59.26132	2.4
64.02586	2.0
65.03924	4.7
65.82227	2.1
67.05511	87.7
69.07073	30.7
69.31980	17.9
71.04987	4.2
71.08638	66.2
75.50752	2.4
79.05499	80.9
81.03421	7.2
81.07065	81.8
83.04977	8.6
83.08630	20.9
85.06552	6.2
91.05489	60.9
91.05949	1.4
93.07054	100.0
93.07643	5.1
95.04972	11.5
95.08060	4.3
95.08615	56.7
97.06528	13.7
97.10172	9.5
98.20760	4.5
99.08107	36.2
105.04524	3.2
105.07039	40.1
107.04948	8.4
107.08604	45.6
107.45551	2.3
109.06524	9.9
109.10139	22.5
113.05998	4.7
113.09725	2.6
115.05434	2.3
117.07033	19.6
119.08592	32.8
121.06560	3.7
121.10155	38.8
121.73624	2.1
123.08028	3.3
123.11694	6.2
127.11198	3.6
128.06271	2.7
129.06993	10.7
131.08578	29.3
133.06552	3.7
133.10138	20.1
135.08038	6.3
135.11716	33.7
137.09621	4.2
137.13246	3.5
141.09135	3.9
143.08556	14.7
145.10121	22.0
147.11682	16.2
149.13278	16.2
151.11198	19.7
151.14719	2.4
155.08559	5.9
156.25653	2.3
157.10155	9.3
159.11714	13.4
161.13257	19.7
163.11201	7.2
163.14828	8.9
167.10680	3.0
169.10156	5.0
171.11687	8.1
173.11891	4.4
173.13280	9.6
175.14833	4.2
177.12793	3.1
179.14319	59.8
183.11726	3.6
185.13252	5.3
187.14885	6.9
191.85245	2.4
197.13347	3.4
199.14867	6.4
219.21268	2.5
233.22594	2.7
235.17075	3.2
237.16495	2.8
241.19536	6.5
243.21066	16.9
259.20633	4.0
261.22183	26.4
273.18503	5.3
275.20282	2.9
277.21658	59.4
291.19595	8.6
295.22681	5.0
312.24915	2.4
317.24799	10.0
335.25830	42.6
351.25366	53.0
421.34167	3.3
423.32672	3.6
437.34058	3.7
439.35980	6.3
457.36563	3.0
503.37607	3.0
513.39905	12.6
515.37396	11.3
519.41943	2.8
529.38611	7.6
531.40216	3.7
537.42963	2.9
611.46710	92.4
612.46942	3.0
629.29803	3.0
629.47705	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	629.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.4
53.03932	5.3
55.01874	12.4
55.05516	40.5
56.05829	1.7
57.03443	9.7
57.07075	10.9
62.42855	1.3
65.03934	6.5
67.05510	94.3
68.05843	3.1
69.03426	5.4
69.06730	2.1
69.07074	32.6
70.07398	1.9
71.04987	5.5
71.08614	5.6
71.51389	1.3
71.51788	1.8
73.06534	1.3
74.81474	1.2
77.03973	1.2
79.05497	64.5
80.05833	4.6
81.03432	9.6
81.07063	100.0
82.07378	4.5
83.04993	18.2
83.08630	18.3
85.06539	4.4
85.10159	2.2
89.06033	1.6
91.05487	50.2
92.05798	3.2
93.07046	53.0
93.07639	2.7
93.32897	1.3
94.07361	3.5
95.04981	13.4
95.08613	62.4
96.08928	2.6
97.02904	2.5
97.06534	20.2
97.10172	11.8
99.04466	1.3
99.08099	3.5
100.03571	1.3
100.86138	1.2
101.06023	1.3
103.05485	1.3
105.04562	1.8
105.07042	41.3
106.07353	4.7
107.04981	12.0
107.07874	2.0
107.08606	36.7
108.08929	3.1
109.06524	15.8
109.09466	2.3
109.10162	29.2
111.04466	8.3
111.08064	3.2
111.11715	1.8
113.05999	3.8
115.05524	1.3
117.07040	13.6
118.07337	1.8
119.08585	35.5
120.08990	1.8
121.06503	3.9
121.10153	17.7
122.10445	1.6
123.08064	5.2
123.11702	11.2
125.05949	1.8
125.09636	6.0
128.06239	1.8
129.05513	7.0
129.07037	7.2
131.08568	21.9
132.08891	2.3
133.10126	24.8
134.10486	2.7
135.08072	7.9
135.11714	11.9
137.05984	18.7
137.09625	5.0
137.13226	3.1
139.11159	2.6
141.06981	3.0
142.30858	1.3
143.08543	6.0
145.06488	1.7
145.10127	19.2
147.08052	2.2
147.11707	18.6
148.12076	2.3
149.09653	14.7
149.13255	8.2
150.09856	1.3
151.11140	2.6
155.08534	1.7
157.10173	7.6
158.10555	1.8
159.11694	13.1
160.12114	2.2
161.09605	3.4
161.13287	8.1
163.11174	5.8
163.14803	5.1
165.12772	2.6
169.10144	4.0
171.11687	7.7
172.12244	1.4
173.09650	2.2
173.11789	3.2
173.13286	7.7
174.13412	1.7
175.11211	3.1
175.14902	3.2
177.12775	2.7
183.11705	3.9
185.13313	3.5
187.14836	3.5
189.11186	3.9
189.12732	2.7
197.13232	1.6
201.12889	1.4
203.17976	1.6
213.16376	2.6
215.17870	1.4
217.15773	2.1
227.12813	5.1
229.19511	3.1
231.17422	2.7
239.17947	4.1
241.19633	1.3
247.20580	2.9
257.18985	7.3
259.20517	3.2
261.22092	2.2
263.23737	2.0
273.18460	4.9
275.20071	35.9
276.20465	6.0
277.18350	8.6
277.21292	8.5
279.19687	1.8
291.19501	8.3
293.21194	4.4
295.19043	1.8
299.15103	2.6
313.27390	7.8
321.24170	2.5
335.25854	4.9
336.26047	3.0
337.27417	24.8
349.23734	15.3
351.25177	2.0
360.12042	1.3
444.55661	1.3
459.95718	1.4
467.37531	2.2
517.38501	3.5
537.42694	2.9
555.42682	1.7
611.46832	29.2
626.07715	1.5
629.38751	2.4
629.47754	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	629.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.03449	0.8
57.07077	1.7
67.05507	1.5
69.07081	1.0
69.31794	3.6
71.08619	1.3
79.05505	1.3
81.07066	1.7
83.08611	1.0
85.10205	0.6
89.06041	0.7
91.05474	0.7
93.07062	1.5
95.04978	0.4
95.08618	1.1
98.20767	0.8
105.07071	0.9
107.08633	0.6
109.10210	0.6
119.08626	0.6
121.10149	0.5
133.08665	0.4
133.10153	0.7
135.11719	0.6
136.03984	0.5
157.70905	0.4
217.92317	0.4
273.18750	0.5
299.19971	0.5
313.27472	0.6
317.20892	4.5
373.23584	3.5
375.54996	0.4
482.11893	0.5
517.38763	0.5
533.97479	0.4
556.63446	0.5
557.36896	0.4
559.39423	0.5
612.49658	0.4
629.47546	100.0
630.47852	2.7
634.09338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.8
55.01872	12.3
55.05516	37.1
56.02567	1.4
57.03439	8.2
57.07079	8.9
59.04990	1.8
65.03930	4.7
66.31911	1.4
67.05508	98.4
68.05839	1.7
69.03425	4.7
69.07073	35.3
69.14290	11.8
71.04988	4.3
71.08630	9.0
79.05498	55.6
81.03429	7.4
81.07062	100.0
82.07395	3.4
83.04967	8.0
83.08624	21.4
84.08950	1.6
85.06538	4.2
85.10178	2.3
91.05486	51.4
92.05817	1.5
93.07050	53.4
93.07637	2.8
94.07365	2.3
94.98707	1.4
95.04971	9.1
95.08612	61.6
96.08949	2.8
97.06544	15.2
97.10184	12.8
98.20702	2.9
99.08110	6.6
105.04551	2.6
105.07037	46.7
106.07364	1.9
107.04962	12.4
107.08602	37.0
107.09311	2.6
108.08952	2.0
109.06540	8.7
109.10162	35.6
111.08100	5.1
113.09595	1.8
115.05521	2.9
117.07041	14.8
119.08593	39.4
120.08891	2.5
121.06540	3.0
121.10162	22.8
123.08123	3.3
123.11732	13.0
125.09641	6.5
128.06270	3.8
129.07001	8.0
131.08591	23.9
132.08888	2.8
133.10141	27.8
134.10448	1.9
135.08087	6.7
135.11729	11.7
137.09648	4.5
137.13274	4.1
139.11215	3.1
141.07011	3.5
143.08578	9.0
145.10132	25.7
146.10451	1.8
147.08061	2.2
147.11703	22.9
147.12798	2.0
149.09607	10.8
149.13304	6.6
151.11240	3.4
155.08569	5.5
157.10109	9.5
158.10631	1.6
159.08134	1.6
159.11729	14.6
161.09642	1.6
161.13319	9.6
163.11194	8.3
163.14868	4.9
165.12767	4.7
167.08698	2.4
169.10188	6.3
171.11729	6.6
173.11766	3.7
173.13307	8.6
174.13692	1.7
175.11163	2.5
175.14850	6.5
176.15425	1.6
177.12807	2.3
177.16409	2.0
179.14256	2.8
181.12360	2.0
183.11713	5.0
185.13277	7.3
187.11235	1.6
187.14864	5.4
189.11256	4.1
189.12825	2.5
189.16388	2.2
191.17923	1.6
194.11028	1.7
195.11700	2.0
197.13309	3.5
199.13255	1.7
199.14906	4.5
201.16451	4.6
211.14810	3.5
213.16515	2.1
215.18019	2.8
217.15944	1.5
223.14996	1.7
225.16628	1.6
227.12804	10.5
227.18045	2.4
229.14304	1.8
229.19397	2.9
239.17981	3.0
243.21040	1.9
245.22708	2.4
247.20761	2.4
253.19852	1.7
257.19089	5.8
259.20654	2.4
261.22147	2.2
263.23932	1.6
267.16055	2.1
275.20068	38.3
277.21759	5.9
293.21179	5.3
303.23071	1.7
317.24750	1.6
335.25818	4.1
337.27423	16.8
349.23743	13.8
349.27109	1.4
351.25616	2.7
369.31656	2.3
371.33398	1.8
383.33139	3.6
385.34860	2.1
404.26877	1.6
457.37204	1.7
513.40076	1.9
515.37402	8.8
517.38635	3.3
519.42572	2.7
537.42712	4.3
544.36859	2.0
555.44171	4.6
593.45551	2.3
611.46680	43.1
614.98724	1.6
629.37115	3.6
629.47650	62.8
630.48083	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	629.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.1
55.01877	7.8
55.05516	32.7
57.03442	6.5
57.07075	8.5
65.03941	2.7
67.05509	61.0
69.03424	2.6
69.07072	36.6
70.47305	0.8
71.00007	1.8
71.00349	0.9
71.04985	2.6
71.08630	5.6
79.05498	40.7
80.88538	0.8
81.03435	4.5
81.07060	61.9
81.23271	0.8
83.04996	8.5
83.08620	23.0
85.06552	2.4
85.10201	1.9
86.10713	0.8
89.06052	1.0
91.04902	1.3
91.05485	36.4
93.07050	42.7
93.07642	2.1
95.04966	10.9
95.08613	39.7
96.08968	0.9
97.06542	9.5
97.10174	14.3
97.51129	0.8
99.08109	2.3
103.05479	1.1
105.04521	1.3
105.07037	29.0
107.04954	5.6
107.08598	21.6
109.06555	6.1
109.10157	14.5
111.08096	2.9
111.11718	3.0
113.00025	5.9
113.06057	1.0
117.07021	8.9
119.08597	18.9
121.06500	2.5
121.10159	10.7
123.08068	3.4
123.11707	5.0
125.09644	3.6
127.07568	0.9
128.06224	1.6
129.07010	6.0
131.08585	9.8
133.06508	1.1
133.08612	1.4
133.10143	13.4
135.08089	1.6
135.11694	11.4
137.09590	1.6
137.13284	2.2
139.11269	1.0
141.06952	1.3
143.08548	4.3
145.10133	9.4
147.08051	1.9
147.11716	12.4
149.09636	3.7
149.13237	5.1
151.11191	1.8
155.08569	1.0
157.10162	2.0
159.11702	5.9
161.09692	1.5
161.13243	6.6
163.11220	2.2
163.14871	2.2
165.08972	1.2
165.12756	1.0
169.02644	4.0
169.10156	1.8
169.60158	0.9
171.11652	6.3
173.13271	3.3
175.11168	1.1
175.14870	2.1
177.12750	1.6
179.14339	2.9
185.13278	1.9
189.12790	3.4
195.13762	1.0
207.13785	5.1
219.17522	1.3
223.13304	2.2
227.12766	4.0
237.22141	7.2
239.18092	1.1
253.53748	1.0
257.19031	2.1
263.23770	1.9
273.18564	2.3
275.20093	13.0
277.21674	2.0
281.17606	1.3
291.19611	9.6
292.20215	1.0
293.21014	2.7
319.71097	0.9
337.27386	8.7
349.23813	6.2
355.00531	0.9
369.31131	1.0
517.38922	100.0
518.39343	2.2
531.40576	11.9
537.42029	0.9
557.42065	1.7
611.46820	12.3
629.38367	1.2
629.47742	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
53.37270	0.7
55.01867	2.0
55.05269	0.9
55.05512	8.4
57.03435	1.5
57.07072	2.9
59.04997	0.8
63.05897	0.7
65.03944	1.2
66.50677	0.7
67.05506	16.3
69.03432	1.3
69.07070	8.3
71.04988	1.8
71.08638	3.1
74.95274	0.7
75.99303	0.8
79.05492	11.8
81.03406	1.8
81.07059	19.6
82.07407	1.1
83.04977	1.7
83.08607	3.9
85.06509	1.1
87.04464	0.8
89.06034	3.4
91.05476	10.0
92.05814	1.1
93.07050	11.4
95.04979	3.9
95.08601	12.2
97.06550	2.5
97.10171	3.0
99.08097	2.4
105.07025	7.4
107.04961	1.8
107.08599	6.6
109.06540	2.4
109.10157	6.0
111.08138	0.9
111.11694	0.7
115.05476	1.0
117.07037	4.2
119.08570	5.9
120.08982	1.0
121.10153	5.2
123.08096	1.3
123.11726	2.8
125.09654	0.9
128.06247	1.3
129.07057	1.6
131.08556	7.0
133.08640	2.2
133.10107	5.2
135.08116	1.2
135.11714	4.6
137.09540	1.3
139.21143	0.7
143.08597	3.1
145.10120	4.2
147.08080	0.9
147.11691	3.5
149.09650	1.3
149.13266	2.0
151.07596	0.8
151.11218	1.2
157.10162	2.0
159.11717	2.5
161.13307	1.7
163.11241	1.4
163.14874	1.3
169.10190	1.2
171.11748	1.2
172.23447	0.8
175.14902	0.9
175.98631	0.7
179.14369	2.1
185.13289	1.6
187.14867	0.9
203.14671	0.8
221.10759	0.8
245.12956	1.4
261.22061	0.9
273.18588	2.5
275.20090	3.7
276.15161	1.2
277.21725	3.1
290.13025	0.8
291.19638	3.4
314.16425	1.4
335.25797	1.9
337.27341	2.2
339.28943	1.1
347.22205	1.1
349.23666	1.4
351.25244	1.3
352.17804	1.1
353.17978	2.3
357.99997	1.0
367.19632	1.6
379.15179	0.9
379.19455	2.2
392.16724	1.0
393.17032	2.5
394.18335	1.8
407.18707	1.7
408.19394	2.8
409.20428	6.9
421.20334	3.8
422.21167	2.0
423.22000	12.2
424.22305	3.0
435.21924	3.3
436.22427	2.9
437.23563	2.4
446.21259	1.5
449.23666	1.2
450.23929	2.3
451.21426	3.2
453.18933	1.2
454.19745	4.1
461.23676	4.4
462.20496	1.7
463.21225	1.8
467.20618	5.6
477.22949	5.0
478.23840	3.6
481.22461	1.9
482.23425	4.4
483.23724	1.1
493.21710	4.1
494.23340	1.7
495.23950	4.5
496.24905	1.0
508.24820	7.9
509.25806	8.1
510.26462	8.1
511.27316	10.7
517.38684	1.9
525.28754	4.6
525.35809	1.0
531.40668	1.6
537.25031	18.8
538.25677	2.8
541.24457	7.1
542.28912	2.8
554.25452	1.4
569.27649	19.5
570.27802	1.1
597.27087	43.6
598.27557	3.2
601.30029	1.9
611.46399	3.8
629.29749	100.0
629.45685	9.4
630.30151	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	629.2246
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.66336	0.9
55.01867	1.2
58.67318	0.7
63.53710	0.8
64.27045	0.8
67.05499	2.6
67.34406	0.7
69.07085	0.9
79.05498	2.3
80.13605	0.8
81.03441	1.2
81.07054	2.8
82.96138	0.9
91.05502	1.4
93.07031	2.9
95.04992	1.4
95.08611	2.1
99.08122	0.8
105.07029	2.4
107.08586	1.6
112.34743	0.9
119.08587	1.9
121.10117	1.3
125.15649	0.8
129.07024	1.0
130.51091	0.8
131.08575	1.2
133.10197	1.2
143.08514	1.0
145.10132	1.5
146.10442	1.0
147.11737	1.3
154.91629	0.9
279.36404	0.9
328.82291	1.0
397.13104	2.2
398.13895	1.6
399.14200	1.3
410.13715	3.1
411.14764	7.2
412.15302	6.3
413.16144	4.1
423.14731	1.1
424.10880	1.5
424.15741	1.9
425.10861	1.0
425.16226	17.4
426.17047	8.8
427.17776	3.4
428.18466	3.1
437.16217	1.1
438.12201	3.9
439.13672	21.1
440.19092	7.4
441.19324	37.8
442.19626	2.0
452.14902	3.6
453.15393	26.6
454.15881	4.9
456.18240	1.1
458.15637	0.9
463.14172	1.5
467.17203	28.0
468.17868	22.1
469.18997	11.3
470.18817	1.3
471.16470	1.2
480.17566	1.1
481.14774	10.4
482.15311	1.8
484.22131	1.5
485.17874	1.9
495.16394	1.8
496.17282	11.1
497.17612	1.5
498.19107	2.0
499.19983	1.5
500.20374	3.7
509.18420	1.7
512.20844	1.9
513.21680	6.3
541.20898	46.6
542.21106	1.9
569.20325	100.0
570.20477	4.0
572.19244	1.4
573.23431	2.7
597.19720	30.8
598.19751	1.2
599.68219	1.1
600.22241	2.0
601.22968	13.6
628.46185	1.3
629.22260	64.2
630.22614	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89334	2.0
53.03953	11.4
55.01869	12.0
55.05238	2.6
55.05513	52.4
57.03447	7.0
57.07079	5.8
65.03947	5.6
67.05507	100.0
68.05844	2.7
69.03430	3.5
69.07074	34.7
70.22190	4.6
70.22596	6.9
71.04991	6.7
71.08636	5.7
79.05499	70.3
81.03448	5.3
81.07058	90.8
83.04996	6.1
83.08620	22.4
83.84495	2.2
85.06524	5.2
89.06055	2.5
91.05484	62.8
91.06023	4.2
92.05880	3.1
93.07046	70.7
95.04989	11.7
95.08607	57.8
97.06548	16.1
97.10169	15.3
99.08102	5.4
103.05499	3.1
105.04515	3.8
105.07039	50.0
106.07368	2.5
107.04975	9.5
107.08603	43.3
109.06533	9.6
109.10166	30.9
111.08102	5.3
113.06031	2.4
115.05455	2.7
117.07017	19.7
119.08582	41.6
119.09364	3.2
121.06510	3.0
121.10149	31.6
123.08063	3.3
123.11729	12.2
125.09644	9.9
128.06186	2.9
129.06969	12.7
131.08575	33.3
133.10143	30.7
135.08125	5.7
135.10847	2.3
135.11710	14.4
137.09636	6.3
139.11208	3.6
141.07019	7.4
143.08556	10.5
145.10126	29.4
147.08055	4.0
147.11696	25.7
149.09625	13.3
149.13289	7.8
151.11205	3.3
155.08604	5.8
156.09201	3.4
157.10150	13.3
159.11688	22.5
159.12650	2.1
161.13303	10.2
163.11237	9.5
163.13551	2.2
163.14845	3.1
165.12750	5.4
169.10193	7.5
171.11662	14.3
173.09659	2.5
173.11996	2.7
173.13290	14.0
178.79985	2.0
179.14381	2.7
179.37019	2.1
181.10168	2.9
183.11746	9.4
185.13312	8.8
187.14877	9.3
189.11180	4.9
195.11732	6.4
197.13348	6.7
199.14864	4.5
201.16473	3.7
211.14845	4.9
213.16493	4.2
215.17934	3.9
223.14981	2.7
227.12653	4.3
227.18190	2.2
229.19594	3.5
233.22589	2.2
239.17979	4.7
241.19589	4.1
243.15959	2.9
257.19107	7.8
259.20673	6.1
261.22321	6.3
267.16141	3.0
275.20062	46.8
277.21738	5.5
293.21185	4.8
315.23141	2.8
329.21173	2.8
333.24396	3.1
335.25833	29.5
349.23639	16.7
351.25500	2.4
367.30048	6.3
441.33755	2.9
454.11038	2.6
513.35840	4.9
515.36890	6.2
535.41473	6.7
553.42511	4.7
609.27002	3.7
609.45026	43.2
610.45331	2.8
627.46094	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
55.01878	16.7
55.05515	41.9
57.03436	12.9
57.07059	6.2
59.05016	2.5
65.03932	5.7
67.05508	85.8
69.07071	43.1
69.28327	3.8
69.28719	17.3
71.04996	4.9
71.08623	4.5
79.05495	52.8
80.29207	2.0
81.07061	85.7
82.07379	4.0
83.04993	7.4
83.08622	18.3
85.06538	6.5
91.05486	56.5
93.07046	61.3
94.07411	2.5
95.04984	7.9
95.08612	64.2
95.21686	2.5
96.08916	3.2
97.06536	18.2
97.10172	13.0
99.08087	3.0
103.05441	2.7
105.06308	2.9
105.07036	59.9
106.07346	3.0
107.04990	7.0
107.08591	45.4
109.06506	3.3
109.10161	30.6
111.11764	2.4
117.07039	27.8
119.08588	46.7
120.08867	2.5
121.06487	2.5
121.10153	22.6
123.08112	5.3
123.11731	9.2
125.09627	10.7
126.25499	2.3
127.13523	2.3
127.18567	2.6
128.06213	5.6
129.07018	18.4
131.08571	43.2
133.10149	34.5
135.08095	2.6
135.11703	17.1
137.09575	2.9
137.11890	2.4
137.13261	2.5
141.06984	4.9
142.07771	2.6
143.08560	24.3
145.10147	39.4
147.11699	20.7
149.09663	6.0
149.13274	8.6
150.07481	2.5
151.11311	5.2
153.06981	2.2
154.07707	2.6
155.08551	9.4
156.09283	2.7
157.10123	26.1
159.11693	24.5
161.13261	12.4
163.11247	4.1
167.08551	5.2
168.09348	2.9
169.10149	17.0
171.11699	25.1
172.12172	2.3
173.13251	16.6
175.11320	3.3
175.14789	5.7
177.12767	2.2
179.08592	2.2
179.14322	3.6
181.10124	8.6
183.11678	16.5
184.12343	2.5
185.09622	2.5
185.13248	12.9
187.11133	3.6
187.14767	12.0
195.11751	7.0
197.13287	11.4
198.13704	2.5
199.14864	8.9
201.16554	3.0
209.13319	6.7
211.14868	7.2
213.16454	5.2
215.18076	3.7
221.13318	2.4
223.14877	5.5
225.16418	5.3
227.12753	3.0
227.18126	4.2
229.14359	2.6
229.19536	2.7
235.14873	3.0
241.19574	3.1
253.19362	2.8
257.19165	4.6
259.20679	5.0
261.22177	3.8
275.20157	23.2
277.21716	3.6
335.25937	12.0
349.23984	6.3
367.30045	3.9
381.31689	3.8
383.29422	2.6
402.49353	2.3
409.31348	3.2
423.32306	4.1
497.36243	3.0
515.37378	26.1
517.40790	11.9
529.39081	3.4
535.41663	16.1
539.37775	2.9
543.40491	4.8
553.42633	13.4
569.42578	2.7
571.42798	2.7
591.44049	6.1
609.45056	87.2
610.45319	4.3
627.46027	100.0
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
53.03942	7.3
55.01883	15.6
55.05267	3.2
55.05515	39.5
57.03429	6.1
57.07059	5.2
59.05015	2.9
61.84099	1.7
65.03935	7.9
67.05510	94.1
69.03435	3.9
69.07072	33.2
69.91608	9.4
71.04990	6.3
71.08630	7.0
76.31145	1.8
76.80566	1.7
79.05499	69.6
81.03418	3.0
81.07060	100.0
83.04984	7.4
83.08623	20.0
85.06538	4.7
85.10178	2.4
91.05486	57.0
93.07050	65.3
95.04976	11.3
95.08611	71.5
97.06538	18.4
97.10173	14.7
99.08118	3.7
105.04562	2.9
105.07040	45.3
107.04951	7.2
107.07887	2.9
107.08604	45.8
109.06535	10.7
109.10159	33.5
111.08067	4.1
115.05473	1.9
116.06280	2.9
117.07037	18.8
119.08598	40.2
121.06539	3.7
121.10156	28.9
123.08096	4.2
123.11707	13.8
125.09630	12.0
128.06259	2.3
129.07036	13.8
131.08578	35.7
133.06534	2.4
133.10146	34.9
135.08054	6.0
135.11703	20.5
137.09644	3.0
139.11182	2.1
141.07062	2.4
142.07890	1.9
143.07561	2.8
143.08559	14.7
144.09271	1.9
145.10132	33.7
147.08057	2.6
147.11703	26.8
149.09615	15.5
149.13260	9.1
151.11241	3.7
153.09149	2.1
154.49500	1.9
155.08557	6.7
157.10153	14.3
158.53288	1.8
159.11708	26.3
161.09767	2.4
161.13225	10.5
163.11157	9.2
163.14845	4.4
165.12813	3.8
167.08641	1.9
169.08929	1.7
169.10104	11.0
169.81033	1.9
171.10257	2.9
171.11655	15.2
173.13242	17.0
175.14919	6.2
177.12712	3.2
177.16420	2.3
181.10124	4.9
183.11734	12.4
185.13335	10.6
187.14870	6.3
189.11258	3.3
189.12779	2.4
189.16412	3.4
193.10210	4.1
195.11688	5.0
197.13322	4.9
199.14876	6.8
201.16502	5.3
209.13417	1.9
211.14857	3.9
213.16357	2.6
215.18047	4.0
219.17543	2.7
221.13326	2.5
223.14827	3.7
225.16666	2.3
227.12820	7.7
227.18117	3.2
229.19545	4.3
239.18018	4.0
241.19571	6.1
243.21152	2.3
247.20714	3.4
248.16074	2.4
257.19046	10.6
259.20624	4.3
261.22260	6.7
275.20065	46.6
277.21808	3.1
293.21228	6.0
317.24860	2.3
333.24478	2.8
335.25922	27.4
349.23822	16.1
367.30203	5.1
371.55164	2.0
381.31744	3.3
383.33374	3.2
423.32748	2.9
437.49496	2.0
441.33838	4.8
455.35339	1.9
513.35968	6.6
515.37445	9.9
515.47919	1.9
517.40503	5.7
527.37042	2.6
535.41449	9.4
553.42218	6.0
560.59119	2.0
591.44012	3.0
602.59888	2.1
609.45074	48.2
610.45337	2.3
627.46216	95.4
628.46130	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	1.1
51.02378	1.9
51.02630	1.1
53.03962	8.2
55.01875	8.2
55.05279	2.6
55.05517	39.9
57.03440	14.3
57.07084	7.6
65.03936	6.9
67.05508	94.5
69.03411	3.7
69.06732	2.0
69.07072	30.9
71.04989	5.0
71.08635	14.3
71.50637	2.1
77.03956	1.4
79.05498	72.5
81.03428	16.4
81.07060	100.0
82.07388	1.8
83.04971	8.1
83.08621	16.5
85.06565	7.2
86.05267	1.2
88.07639	3.2
88.11257	2.6
91.05483	64.9
93.07047	62.6
93.07639	3.2
94.07404	1.5
95.04971	20.5
95.08615	60.3
97.02886	4.4
97.06536	10.8
97.10171	12.1
99.04506	1.5
99.08102	9.8
99.96117	1.3
103.05450	2.5
105.04511	2.7
105.07039	49.6
107.04941	9.8
107.08599	35.9
108.05396	1.2
109.02828	2.0
109.06516	21.0
109.10164	21.6
111.08073	5.0
113.06021	15.2
113.09646	2.1
115.05465	5.7
116.06249	2.1
117.07034	24.0
119.06013	1.7
119.08584	34.2
121.06483	5.0
121.09336	1.6
121.10156	21.9
123.08055	5.7
123.11703	6.8
125.09663	7.2
127.03965	2.4
128.06203	6.8
129.07042	13.3
130.07802	2.6
131.08578	31.0
133.06520	2.3
133.10138	26.2
135.08049	13.3
135.11697	20.4
137.09602	3.7
141.06941	4.4
142.07762	2.9
143.08571	21.2
145.10129	29.9
147.08060	4.9
147.11711	14.4
149.09647	6.8
149.13255	7.2
151.11151	7.8
155.08568	4.0
157.10136	9.1
159.08046	2.0
159.11708	13.2
161.09639	6.6
161.13277	10.1
163.11186	6.4
163.14786	3.0
165.12750	2.8
169.02448	1.4
169.10143	6.3
171.11684	7.4
173.09462	1.5
173.13280	6.7
175.11195	2.8
175.14793	1.4
177.12732	4.2
179.14334	21.2
181.10141	3.0
181.12308	1.9
183.11653	3.6
185.13268	5.7
187.14877	2.9
189.11183	5.9
189.12769	2.7
189.16469	1.5
195.11716	3.9
199.14835	2.8
213.16336	2.5
215.14288	1.3
217.15810	4.6
219.13834	1.2
221.15567	1.5
227.12766	4.2
227.17982	2.1
235.16850	1.8
237.16330	5.0
245.19057	2.4
255.17374	4.5
257.19031	2.1
259.20584	2.4
261.22226	2.9
273.18503	22.9
275.20074	20.4
277.21637	18.3
291.19565	30.2
293.21118	4.2
313.27402	3.1
335.25797	10.5
337.27362	16.7
347.22180	6.5
349.23788	7.3
451.62637	1.4
483.36746	1.6
488.71338	1.5
515.37427	6.3
529.38660	5.0
607.09100	1.5
609.45233	15.3
627.46460	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01876	19.6
55.05517	40.5
57.03443	15.7
57.07078	5.0
63.79773	3.0
65.03944	4.9
67.05510	84.4
67.82526	2.4
68.05847	2.9
69.07074	37.7
71.04980	5.3
71.08645	3.8
71.35291	2.2
76.54391	2.3
79.05498	59.7
81.03452	3.1
81.07066	85.2
82.07399	2.8
83.04996	7.3
83.08620	19.9
85.02924	2.6
85.06542	5.1
91.05483	51.1
93.07050	61.7
95.04977	6.5
95.08615	59.7
97.06532	20.5
97.10179	9.8
97.80592	2.4
99.08100	4.4
105.07036	57.9
107.05000	5.4
107.08614	44.1
109.06496	4.6
109.10159	36.4
111.08101	3.8
113.63135	2.3
115.05476	2.4
117.07024	27.1
119.08597	49.4
121.06548	2.5
121.10154	27.0
123.08100	4.6
123.11723	12.1
125.09655	9.6
128.06287	5.1
129.07033	21.9
131.08577	48.6
133.10144	38.0
134.10455	2.6
135.08086	4.8
135.11717	17.8
137.09569	3.5
141.07008	6.8
143.08585	22.9
145.10136	41.7
147.08212	3.5
147.11734	17.7
149.09656	7.5
149.13309	9.4
151.11137	3.5
155.08617	14.6
157.10144	27.1
159.11737	30.2
161.13297	14.0
163.11122	2.9
163.14877	3.7
167.08710	6.3
168.09380	4.7
169.10130	15.4
170.10684	2.4
171.11736	21.9
173.13264	18.6
175.11218	4.5
175.14899	7.0
177.12775	2.8
179.08644	2.5
179.14363	4.1
181.10202	9.1
183.11761	17.5
185.13261	21.9
187.14874	11.0
195.11760	7.5
197.13303	12.7
199.14897	11.9
201.16464	6.5
209.13419	6.2
211.14972	8.8
213.16451	6.1
215.17953	4.9
221.13290	3.7
223.14822	4.0
225.16367	4.8
227.12859	5.6
227.17964	7.7
229.14362	3.7
229.65158	2.8
237.16414	4.2
239.18030	4.9
241.19420	2.8
257.19193	5.1
261.22208	6.0
269.19125	3.7
275.20111	31.0
277.21683	7.2
285.22122	3.8
297.22104	2.5
299.23865	2.5
325.25409	3.0
335.25980	13.7
335.48096	2.6
349.24008	9.9
367.30042	6.1
381.31635	3.4
389.26761	2.6
423.32779	5.5
497.36050	4.5
499.39633	3.0
503.37460	2.9
515.37439	27.3
517.40588	9.8
529.39349	3.2
535.41467	13.9
539.37482	2.8
553.42523	19.4
569.42786	3.7
591.44055	5.7
609.45148	88.0
610.45831	5.5
627.46143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01881	20.2
55.05267	3.3
55.05513	37.7
55.13205	1.9
57.03448	13.3
57.07085	11.0
65.03944	4.9
67.05512	84.2
69.03436	3.6
69.07072	48.0
70.75800	5.2
71.04998	7.1
71.08244	3.6
71.08637	70.3
72.63676	2.5
79.05499	66.1
81.03428	6.4
81.07067	95.1
83.04980	8.6
83.08621	20.5
85.06553	6.9
91.05489	71.6
93.07051	86.5
95.01311	2.3
95.04970	14.1
95.08614	72.6
97.06536	27.4
97.10187	9.7
99.08098	44.1
103.05457	4.0
105.04521	2.4
105.07040	71.8
107.04961	12.0
107.08600	44.8
109.06549	7.4
109.10152	23.5
111.08077	7.0
113.09657	2.5
115.05458	2.3
117.07013	30.1
119.08585	45.9
121.06551	3.5
121.10155	33.4
123.08073	5.3
123.11716	6.4
125.09673	5.1
127.11195	2.3
128.06236	5.1
129.06987	17.5
130.07779	3.6
131.08571	38.7
133.06509	2.3
133.10152	40.9
135.08095	5.3
135.11690	23.4
137.09663	4.1
139.11182	3.5
141.06987	7.0
141.09116	3.3
141.12839	3.3
142.07800	4.2
143.08566	26.1
145.10141	39.0
147.10625	3.7
147.11705	27.8
149.09624	7.3
149.13264	12.8
151.11224	13.0
155.08556	13.9
157.10130	27.3
159.11688	26.9
161.09583	3.3
161.13286	24.6
163.11232	6.3
163.14839	6.5
167.08662	4.3
169.10159	12.8
171.07889	2.1
171.11693	25.1
173.11888	3.6
173.13223	18.1
175.14844	12.5
177.12761	4.3
179.14330	26.3
181.10164	7.0
183.11729	14.5
183.41843	2.2
185.13283	17.9
187.14917	7.6
195.11743	5.8
196.12628	2.2
197.13297	12.4
199.14841	10.9
201.16394	3.9
209.13271	6.7
211.14847	8.5
213.16528	4.1
215.18066	4.2
223.14958	5.6
231.21211	3.1
237.16440	3.7
239.18036	4.6
241.19516	19.4
243.21150	6.0
247.20743	3.4
251.17911	2.3
257.19135	6.2
259.20615	23.6
261.22226	4.2
275.20084	26.0
277.21628	28.3
279.20923	3.3
285.22446	2.9
293.21265	11.9
299.23648	3.5
299.81717	2.8
315.23236	5.2
327.23145	3.0
333.24359	18.4
335.25931	12.1
349.23599	14.8
351.25259	24.0
419.33121	6.5
421.30685	2.4
435.32516	4.2
437.34167	18.5
455.35281	2.8
493.36398	3.6
511.37802	15.0
513.35553	5.7
515.37305	5.5
517.40491	10.1
527.37946	2.8
529.38696	9.2
535.41223	11.4
553.42853	7.1
609.45215	71.3
627.46185	100.0
628.47198	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50224	1.9
51.02362	2.2
53.03947	5.9
54.14672	2.0
55.01880	21.4
55.05515	42.8
57.03433	8.0
57.07078	2.9
65.03938	5.6
67.05513	100.0
68.82413	2.2
69.03430	2.9
69.07075	32.5
69.82860	5.0
69.83273	9.5
71.04996	5.6
79.05502	81.2
81.07066	87.4
83.04984	7.7
83.08633	22.5
85.06557	5.0
91.05490	55.0
93.07053	78.4
95.04990	11.3
95.08617	67.1
97.06541	32.6
97.10172	14.4
97.10707	2.1
99.08099	3.5
105.07037	58.7
105.07688	4.0
107.04971	16.4
107.08607	66.7
109.06520	3.7
109.10163	30.7
111.08090	6.1
115.05474	2.7
116.06235	2.8
117.07011	25.3
119.08591	47.9
121.06525	4.9
121.10152	29.3
123.08136	3.4
123.11699	15.3
125.09628	12.5
128.06218	4.2
129.07025	12.8
130.07771	2.6
131.08583	40.8
133.10152	44.8
135.08060	4.2
135.11737	17.8
141.07030	2.5
143.08554	16.4
145.10143	31.8
147.11713	28.4
149.09619	32.1
149.13271	7.9
151.11195	6.6
155.08595	8.5
156.09383	3.0
157.10106	15.4
159.08136	2.6
159.11719	28.2
161.13283	14.0
163.11169	11.1
163.14848	3.9
165.09145	2.6
167.08505	3.2
169.10156	8.8
171.10367	4.2
171.11649	15.7
173.13278	16.5
175.11250	3.2
175.14838	3.1
177.12753	2.8
183.11722	7.8
185.13315	10.8
187.13367	2.6
187.14842	11.2
189.11229	6.5
189.16435	3.2
195.11754	3.3
195.13652	2.7
197.13268	7.0
199.14856	7.2
201.16335	3.7
203.18027	2.6
211.14767	2.9
213.16431	8.3
215.18056	4.1
225.16272	2.7
227.12784	12.8
227.18024	3.9
229.19443	3.0
239.17989	4.8
241.19551	4.1
243.21199	3.4
257.19083	12.1
259.20517	6.8
261.22195	8.8
275.20087	66.4
275.23148	3.2
277.21695	4.5
293.21133	7.3
317.24976	4.0
333.24219	4.0
335.25800	44.7
349.23758	30.0
367.29849	3.1
385.30899	3.2
431.31546	2.7
441.33749	3.3
499.38535	3.3
505.35086	3.2
509.74371	2.3
515.37201	10.5
517.40283	4.2
535.41309	10.5
539.86212	2.4
553.42609	2.9
591.43591	3.0
609.45129	58.1
627.46381	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	627.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03949	7.6
55.01873	18.7
55.05513	37.1
57.03439	8.6
57.07074	5.1
59.04983	1.3
65.03938	4.6
65.84220	0.9
67.05507	100.0
68.05847	1.6
69.03427	6.5
69.07072	40.7
71.04990	5.3
71.08633	18.7
77.03936	1.1
79.05496	65.2
81.03424	9.1
81.07060	97.7
83.04992	10.6
83.08623	15.8
85.02876	1.3
85.06548	3.9
85.10167	1.1
91.05485	62.7
93.07047	66.1
93.96873	1.1
95.01345	3.9
95.04971	15.0
95.08614	63.8
97.02895	5.7
97.06534	26.4
97.10177	10.5
98.21507	3.1
99.08091	13.9
101.71292	1.0
105.04536	1.9
105.07035	54.6
107.04967	13.2
107.08598	36.5
109.06531	7.7
109.10160	25.3
111.08082	5.9
113.09636	3.0
115.05428	2.9
117.07031	15.5
119.08588	35.0
120.08904	1.4
121.06516	4.7
121.10150	24.2
123.04411	2.3
123.08082	4.9
123.11730	7.2
125.09626	7.5
128.06268	1.7
129.07031	4.7
130.07811	1.4
131.08577	20.3
133.06500	2.4
133.10130	30.0
135.08051	6.3
135.11682	19.6
137.09641	3.7
137.13292	2.0
139.11163	2.4
141.07040	1.1
141.09116	1.6
143.08556	5.7
144.09383	1.3
145.06525	2.3
145.10117	11.8
147.08104	3.5
147.11700	13.4
149.09596	7.3
149.13257	8.2
151.11180	12.0
153.09175	1.7
155.08574	2.3
157.10162	4.0
159.11710	11.4
161.09657	3.1
161.13271	11.3
163.11153	11.6
164.47191	1.1
165.09137	2.9
165.12817	1.4
169.10101	3.0
169.12318	1.2
171.11732	3.8
173.11922	1.4
173.13254	5.7
173.60574	1.1
175.11234	2.0
175.14874	3.7
177.12767	3.1
179.14320	34.5
183.11748	3.2
185.13309	2.9
187.11212	2.8
187.14832	3.0
189.11240	2.3
189.12833	2.0
195.11723	1.2
195.13882	2.3
197.13391	1.6
199.14886	2.9
201.12772	1.7
203.14389	1.1
205.12306	1.9
215.17970	1.4
223.13303	10.1
227.12936	2.3
227.17935	1.3
229.14398	1.6
229.19589	1.1
230.14622	1.7
231.74028	1.1
235.16878	1.6
243.20937	1.2
247.20659	2.8
257.19034	2.8
259.20633	2.5
261.22208	2.7
263.20316	1.2
263.23996	1.6
273.18524	8.2
275.20081	41.6
277.21631	18.2
277.24698	1.2
291.19553	48.4
293.21103	5.6
295.23029	1.2
297.17081	1.5
317.24783	1.3
333.24084	1.2
335.25812	34.1
337.27530	4.5
338.27875	2.0
347.22278	1.4
349.23721	9.7
351.25479	1.6
365.23331	1.5
468.03342	1.0
499.80826	1.1
515.37506	4.0
529.39075	1.9
535.41400	1.4
609.45129	30.1
627.46259	61.6
628.46448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2817
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03940	1.7
53.70621	0.8
55.01865	1.7
55.05510	4.2
57.03430	1.4
65.03921	1.2
67.05512	11.0
69.07067	3.6
69.75527	4.8
71.04995	1.4
79.05504	6.9
81.03424	1.9
81.07066	9.4
83.04985	1.6
83.08655	1.5
91.05478	7.7
93.07062	7.4
94.06596	0.9
94.56378	0.9
95.04948	1.7
95.08626	5.2
95.60898	1.0
96.47680	0.8
97.06512	1.7
97.10155	0.9
98.20728	1.0
98.64057	0.8
99.08099	0.9
105.07069	6.1
107.08607	3.6
109.10192	3.3
117.07027	2.4
119.08589	3.5
121.10149	2.6
123.08089	0.9
125.02671	1.0
125.09655	1.2
129.07076	1.6
131.07312	0.9
131.08591	3.5
133.10117	2.1
135.11685	1.6
136.07550	1.8
138.09088	1.1
141.07065	1.1
143.08572	2.5
145.10158	3.8
147.11736	1.8
149.13309	1.1
157.10118	1.3
159.11719	1.6
163.11180	1.1
167.08652	1.0
169.10143	1.5
171.11737	2.4
174.09181	4.9
185.13249	1.0
187.12332	2.6
188.10712	3.3
197.10857	0.9
197.13281	1.2
211.08638	1.7
212.09373	1.5
213.10130	1.1
215.11896	2.1
224.09523	1.9
225.10271	3.8
225.16306	0.9
227.11789	2.1
235.08685	1.3
239.11827	3.6
241.13414	2.8
243.11308	25.9
243.13661	1.6
247.08713	1.2
249.10294	1.9
251.11903	2.0
253.09941	1.1
259.20483	1.3
263.11624	1.1
265.09778	1.2
267.11285	7.3
269.12805	1.0
275.20169	1.0
277.09790	1.3
285.12482	2.9
293.12878	1.0
295.10806	2.7
299.14056	1.6
301.12424	1.2
301.15692	3.4
301.21884	0.9
302.13004	1.3
304.10727	1.0
309.12436	2.2
311.13995	1.5
313.12204	1.1
316.10931	1.4
317.11624	1.5
319.10788	1.9
325.15616	9.0
327.13409	8.0
328.10880	2.2
328.14410	1.5
329.11667	1.2
330.12512	2.8
330.16138	1.3
342.12445	3.6
343.13312	3.3
344.14044	3.1
346.15707	1.7
348.13461	3.1
355.13458	1.7
356.14072	3.5
357.14984	1.6
358.15674	3.7
360.17188	1.9
370.15726	3.1
372.17093	4.4
374.14862	1.2
386.14780	1.7
386.78909	1.1
400.16669	2.6
403.16376	1.5
404.16193	1.3
412.16479	1.3
418.17935	1.7
419.18814	1.3
420.16525	1.6
422.17618	1.6
430.17273	1.3
431.18994	1.2
432.18924	1.7
437.19882	1.4
447.21997	2.1
449.20508	1.1
450.16635	1.3
451.22321	1.4
460.19113	1.8
461.24197	1.6
462.24216	4.1
463.21243	2.0
464.18668	1.7
465.18915	12.3
466.19879	1.4
477.19705	1.2
478.19717	1.3
479.20477	5.9
480.21680	4.0
481.22510	3.0
491.21057	1.0
492.21475	3.3
493.22540	4.0
504.21716	2.5
507.23642	3.2
513.35980	2.1
517.22449	1.0
520.21051	2.0
535.23633	7.2
538.31171	1.2
539.27240	1.1
549.25031	13.0
553.23901	1.6
567.26074	68.3
568.26544	2.4
577.24585	2.3
581.27814	1.3
595.25537	49.3
596.26813	1.2
609.44910	3.1
627.28174	100.0
627.45898	7.9
628.28674	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	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97241	1.8
53.03934	8.7
55.01888	12.4
55.05523	39.9
57.03448	11.8
57.07081	4.3
59.04985	3.7
65.03939	3.1
67.05512	81.0
69.03421	6.3
69.06727	3.1
69.07075	37.1
71.05001	7.9
71.08633	2.3
79.05071	3.8
79.05505	56.3
81.03403	10.2
81.07066	78.4
83.04997	12.1
83.08627	20.6
85.02906	2.8
85.06542	5.5
87.04460	1.9
91.05489	52.2
93.07055	59.8
95.04971	10.6
95.08617	52.7
97.02906	2.1
97.06544	13.3
97.10184	15.1
103.05447	2.0
105.07040	53.7
107.04954	7.8
107.08600	41.4
109.06530	6.8
109.10166	29.3
109.10845	2.9
111.04457	2.4
111.08086	4.6
115.05449	5.2
117.07045	26.8
119.07803	3.8
119.08593	41.4
120.82722	2.0
121.06546	6.3
121.10159	25.7
123.08069	3.5
123.11700	13.1
125.09636	10.2
127.03955	2.5
128.06197	7.4
129.07013	22.6
130.07848	2.4
131.08586	38.6
133.10143	33.6
135.08041	8.5
135.11688	15.7
137.09604	3.0
139.11197	3.3
141.06999	10.2
142.07785	6.4
143.08574	29.3
145.06479	3.1
145.10141	31.9
147.08089	3.9
147.11708	20.8
149.09631	7.3
149.13275	8.9
151.11230	3.6
153.12729	2.1
154.07809	2.4
155.06052	2.1
155.08585	18.6
156.09349	3.0
157.10159	29.7
159.08109	3.2
159.11719	23.2
161.13278	9.9
163.11220	6.2
163.14856	3.4
165.06996	3.9
166.07870	3.1
167.08609	6.3
168.09323	4.1
169.10153	22.5
171.08073	2.2
171.11710	21.5
173.13268	16.5
175.11189	2.5
175.14828	6.4
179.08649	6.1
181.10165	11.8
181.12189	2.1
182.10898	3.2
183.08096	2.1
183.11728	22.7
185.09633	1.9
185.13287	17.1
187.11241	3.2
187.13368	3.5
187.14879	9.1
189.11241	4.3
189.12762	2.2
193.10214	3.7
195.11697	14.5
197.13303	17.7
199.11232	3.2
199.14854	7.9
201.03275	2.1
201.16417	3.9
203.12556	2.2
203.26382	2.3
205.10210	2.6
207.11717	5.2
209.13300	11.3
211.14925	8.7
213.16455	6.7
213.49190	2.0
215.14301	3.3
215.18040	3.7
221.13292	5.6
223.14847	7.3
225.16437	5.3
227.12857	5.0
227.17952	4.6
235.14835	4.6
237.12685	2.5
237.16490	4.6
239.18004	7.8
241.19574	5.3
243.15948	3.3
243.21056	2.3
247.20705	2.1
249.16548	6.1
251.18021	3.2
253.19652	3.7
255.21246	2.4
257.19156	6.7
259.20654	8.4
269.17371	3.2
271.14340	2.1
273.18634	3.4
275.20187	17.0
277.21686	2.4
313.21921	2.9
315.23358	3.1
321.22131	2.2
323.23770	3.0
333.24536	5.7
349.23996	6.2
363.26920	3.6
365.28494	6.8
371.26004	2.2
381.31818	2.7
383.29929	2.8
397.30957	2.5
403.29584	3.0
419.29715	2.4
421.31064	6.6
428.61563	2.8
439.32227	4.1
445.29800	5.5
463.30844	4.4
495.35010	3.2
513.35712	19.3
515.38885	6.2
533.40167	18.3
551.41162	14.7
589.42664	4.1
607.43591	66.1
608.43951	2.6
625.33405	5.7
625.44623	100.0
626.44916	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
53.25923	1.5
55.01875	11.8
55.05266	2.6
55.05515	32.2
55.80072	1.3
57.03443	8.3
57.07070	4.7
59.05001	2.2
65.03951	4.1
67.05508	58.4
69.03434	2.5
69.07071	27.2
70.99770	1.3
71.04986	5.6
73.41996	1.6
79.05070	2.3
79.05498	37.7
81.03416	4.0
81.07061	59.9
82.17693	1.6
83.04999	7.4
83.08620	13.9
83.75541	1.3
85.06531	4.3
91.05483	46.8
93.07050	36.1
95.04978	7.6
95.08607	35.0
97.06533	14.0
97.10170	14.9
98.21528	3.8
99.08105	2.6
105.07037	38.6
107.04964	3.9
107.08593	28.5
109.06509	3.9
109.10155	21.1
111.08097	4.8
115.05428	3.3
117.07015	20.4
119.08573	27.5
121.06510	2.7
121.10137	15.8
123.08066	2.5
123.11738	8.4
125.09634	8.9
128.06244	4.0
129.07010	19.6
130.07779	1.4
131.08583	29.0
133.06491	1.9
133.10143	23.6
135.08086	3.5
135.11700	9.2
139.11272	1.9
141.06992	10.4
142.07825	6.5
143.08582	23.0
143.31697	1.4
144.09235	2.0
145.10139	25.4
147.11690	11.8
149.09724	3.4
149.13280	4.2
151.11217	2.4
153.06982	1.9
154.07761	3.5
155.08545	14.7
156.09303	3.9
157.10135	21.3
159.08104	1.5
159.11703	19.1
161.13257	10.6
163.11205	4.3
167.08572	6.6
168.09419	3.0
169.10126	17.1
170.10951	2.8
171.10281	2.8
171.11699	19.3
173.09595	1.7
173.12021	1.8
173.13214	9.2
175.11139	1.7
175.14815	4.1
177.12762	1.5
179.08551	3.9
180.09482	1.5
181.10152	8.9
182.10873	2.1
183.11681	18.0
185.13306	14.9
187.13335	3.1
187.14883	5.8
189.11220	3.4
189.12770	1.9
193.10156	5.1
195.11674	9.2
197.13284	12.7
199.14847	8.2
201.16415	4.1
207.11674	5.4
209.13307	8.8
211.14862	10.9
213.12883	1.6
213.16426	5.1
215.14098	1.5
215.17947	1.8
219.11914	1.5
221.13326	4.1
223.14832	6.1
225.16380	8.7
227.12749	7.2
227.18002	2.5
229.51288	2.2
235.14867	4.9
237.16498	5.0
239.18091	5.5
241.19576	4.3
243.15958	4.0
249.16502	3.6
251.18050	3.4
253.19652	3.2
257.19095	3.8
259.20648	4.5
263.17801	1.5
265.19547	3.4
267.21259	1.8
269.00217	1.5
275.20111	8.7
285.22083	1.8
297.22256	1.8
309.22174	1.8
321.21707	1.6
325.25110	2.0
333.24240	4.5
337.25198	1.8
343.64554	1.4
347.22275	1.8
349.23932	5.6
353.28918	2.2
355.26367	1.9
365.28510	6.6
381.31763	2.6
403.30005	1.6
421.31049	4.2
439.32108	3.4
463.31415	2.3
495.34888	2.0
501.35886	1.8
513.35822	19.9
515.38824	8.6
533.40033	9.9
551.40747	6.7
589.42542	4.0
607.43616	43.2
625.44653	100.0
626.44830	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	1.7
51.89613	1.3
53.03945	5.1
55.01877	13.0
55.05271	2.3
55.05516	32.2
57.03435	7.9
57.07076	4.0
59.16899	1.6
65.03936	4.2
67.05510	67.7
69.03424	3.4
69.06721	2.8
69.07072	28.7
71.04994	5.9
71.08630	1.9
79.05496	45.7
81.03429	2.5
81.07059	60.5
81.07533	3.1
83.04984	6.5
83.08620	16.3
85.06536	3.9
91.05486	47.8
93.07050	47.4
95.04980	10.2
95.08619	39.4
97.06533	11.3
97.10177	10.7
98.21561	2.4
103.05472	2.0
105.07041	44.0
107.04964	5.3
107.08607	33.0
109.04294	1.6
109.06529	4.4
109.10155	22.1
111.08101	4.0
115.05502	1.8
117.07033	20.5
119.08594	42.3
120.60509	1.5
121.06508	2.9
121.10135	18.1
123.08105	5.2
123.11686	8.6
125.09624	8.3
128.06235	5.9
129.07016	20.1
130.07742	2.0
131.08575	35.1
133.06554	2.8
133.10141	26.6
135.08076	3.2
135.11693	13.4
137.09663	3.1
139.11189	2.0
141.07024	7.3
142.07813	5.3
143.08580	26.5
144.09338	1.8
145.10141	32.7
147.08041	3.4
147.11708	18.3
149.09622	6.0
149.13272	5.2
151.11226	1.8
153.07036	2.3
154.07793	2.8
155.08554	13.8
155.10622	1.9
156.09377	1.9
157.10138	22.6
159.08104	2.6
159.11716	22.9
161.09674	3.1
161.13254	11.8
163.11186	4.0
163.14886	1.9
165.12730	2.3
166.07779	1.8
167.08636	5.0
168.09383	2.9
169.10129	17.2
171.08060	2.8
171.11717	20.5
173.13242	13.7
175.11220	2.3
175.14867	5.1
179.08577	5.0
180.09453	1.6
181.10147	8.5
183.11693	18.3
185.09647	1.9
185.13217	13.6
187.11224	1.8
187.14890	6.3
189.11229	2.5
189.16379	2.4
193.10207	3.0
194.10817	1.7
195.11685	7.7
197.13286	14.8
199.11101	2.1
199.14854	10.5
201.16420	4.0
205.10216	2.6
206.11082	2.2
207.11749	4.4
209.13347	7.4
211.14854	10.2
213.16467	7.2
219.11613	2.3
221.13315	5.4
223.14912	5.6
225.16449	7.2
227.12776	3.7
227.18048	2.1
229.19560	2.0
235.14796	2.5
237.16473	4.7
239.18059	4.9
241.19574	6.0
243.15930	1.8
249.16422	3.0
251.17830	2.6
253.19609	3.4
255.21082	1.8
257.19043	4.5
259.20676	6.2
273.18506	4.6
275.20096	12.0
277.21799	1.8
295.24432	1.7
297.21820	1.8
309.22086	2.0
311.23703	1.7
313.21762	2.1
315.23282	3.0
323.23447	2.5
333.24283	4.6
349.24054	2.1
365.28485	4.5
377.28378	2.0
381.31888	3.8
419.29807	1.7
421.31140	3.7
470.57660	1.6
473.34134	1.7
495.34341	2.2
497.36902	2.4
511.37686	2.2
513.35858	21.7
515.38947	13.1
527.37396	2.0
533.39917	15.1
538.36823	2.1
551.40863	12.8
555.36804	3.2
589.42676	3.8
607.43591	52.4
608.44330	2.8
625.44653	100.0
626.44977	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01878	6.0
55.05516	31.6
57.03428	4.9
57.07072	4.2
59.04979	2.4
65.03943	4.2
67.05511	42.5
69.03431	2.2
69.07072	16.5
71.04995	4.4
79.05501	32.8
81.03407	1.7
81.06585	2.4
81.07065	47.8
83.04990	4.4
83.08627	16.5
85.06554	2.3
89.59435	1.1
91.05491	29.0
93.07052	30.3
95.04974	3.5
95.08617	29.2
97.06551	5.0
97.10185	15.8
103.05533	1.3
105.04550	1.4
105.07043	28.2
107.04947	1.4
107.08596	24.0
109.06519	2.9
109.10165	17.0
111.08089	3.2
115.05462	1.7
117.07030	15.5
119.08595	23.3
121.10149	9.6
123.08089	1.4
123.11723	13.4
125.09662	11.7
128.06219	5.5
129.07019	17.8
131.08578	23.0
133.10155	18.6
135.08112	3.2
135.11688	6.3
137.13274	2.0
139.11188	1.9
141.07013	8.2
142.07779	4.7
143.08574	23.2
144.09415	1.7
145.10139	19.7
147.11729	9.3
149.09662	2.0
149.13316	3.7
153.06987	2.8
153.10724	1.1
154.07906	2.7
155.08562	17.6
156.09352	2.4
157.10133	22.9
158.10861	1.2
159.11707	15.8
161.13254	5.7
163.14847	1.5
165.07004	1.4
167.08603	6.5
168.09381	2.8
169.10153	17.9
170.10887	2.2
171.10304	2.6
171.11684	17.5
173.13277	9.3
175.14836	3.7
179.08446	2.4
181.10162	7.9
182.10944	2.6
183.11710	17.8
184.12505	1.8
185.13303	13.2
187.13322	3.9
187.14870	6.0
189.11252	4.3
189.12813	1.3
193.10161	3.5
195.11694	9.0
197.13260	16.9
199.14832	10.8
201.16441	3.3
207.11794	5.0
209.13284	8.5
211.14830	11.4
213.16449	7.2
215.14368	1.1
215.17934	2.4
219.11816	1.5
221.13321	2.9
223.14735	6.0
225.16423	7.7
227.12756	9.3
227.18159	2.2
229.19574	1.7
233.13303	2.0
235.14861	4.5
237.16444	4.0
239.18028	6.3
241.19554	3.3
243.15810	5.5
249.16402	2.9
251.18004	4.1
253.19617	4.8
255.17557	1.2
257.19159	2.2
259.20758	3.2
265.19617	1.3
267.21146	2.4
273.18655	1.3
275.20178	4.7
277.21786	1.2
279.21228	1.6
293.22430	1.1
297.22287	1.9
313.21854	1.2
327.23334	1.5
333.24472	1.4
337.25439	1.2
339.23428	1.4
349.24301	1.7
353.24902	1.8
363.26758	3.3
365.28488	15.0
381.31644	4.8
383.29715	4.2
393.28165	1.4
395.29276	1.4
421.31274	2.6
439.32245	4.9
439.38541	1.2
457.33322	1.7
481.32733	1.3
497.37717	1.6
513.35822	8.6
515.39014	8.2
533.40082	8.9
551.41309	5.9
555.36780	1.6
570.40717	1.2
571.40399	1.1
589.42322	3.3
607.43579	39.4
625.44684	100.0
626.45190	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	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.3
53.03945	5.0
55.01876	9.3
55.05272	1.9
55.05515	32.9
57.03437	6.0
57.07069	3.2
60.74324	1.3
60.87599	1.3
65.03958	2.9
65.55378	1.3
67.05506	51.0
69.03419	1.8
69.07073	23.1
70.34068	1.5
71.04990	3.1
79.05495	37.0
81.07062	50.4
83.05000	3.3
83.08617	16.0
85.06554	3.1
91.05479	34.1
93.07051	30.7
95.04975	4.4
95.08613	31.9
97.06535	8.3
97.10175	13.3
98.20771	2.8
99.08095	1.7
105.07038	31.8
105.85873	1.3
107.04956	3.8
107.08593	26.1
109.06546	3.8
109.10154	20.0
111.08107	4.2
115.05465	4.6
117.07017	16.9
119.08589	23.5
121.06541	1.7
121.10146	11.9
123.08138	2.7
123.11739	7.8
125.09630	9.5
128.06239	4.5
129.07033	16.4
130.07806	1.9
131.08569	23.4
133.10143	20.9
135.08040	2.6
135.11685	7.5
137.09647	1.8
141.07002	9.7
142.07794	6.1
143.08562	20.9
145.06522	1.6
145.10114	23.2
147.11708	13.2
149.09619	2.2
149.13313	3.3
151.11263	1.7
153.07010	2.8
154.07802	2.2
155.08545	14.9
156.09279	2.0
157.10126	22.1
159.08125	2.2
159.11679	18.4
161.09581	1.8
161.13246	8.0
163.11224	1.8
163.14804	2.2
165.29091	1.4
167.08565	8.2
168.09348	3.3
169.10124	18.9
171.11687	17.1
173.11882	2.8
173.13245	11.2
175.14809	3.1
177.12782	1.5
179.08670	2.6
181.10120	9.4
182.10899	2.6
183.11720	16.9
185.09717	1.7
185.13235	11.1
187.13271	3.5
187.14850	6.7
189.11224	3.7
189.12814	2.6
191.14320	1.6
193.10226	2.5
195.11745	8.9
197.13293	13.9
199.11357	1.6
199.14845	9.1
201.16472	4.0
207.11757	5.3
209.13283	8.4
211.14841	6.9
212.16005	1.5
213.16464	5.3
215.17993	1.6
217.15927	1.4
221.13287	4.2
223.14903	5.1
225.16331	6.8
227.12798	5.5
227.18024	3.5
229.14301	2.9
229.55257	1.5
233.13368	2.3
235.14868	2.5
237.16365	4.6
239.17966	5.2
241.19601	6.3
243.15874	3.6
249.16507	1.6
251.17984	2.6
253.19745	1.9
257.19077	2.6
259.20596	4.9
265.19638	2.0
267.21112	1.7
273.18768	2.0
275.20203	8.3
277.21744	1.7
283.20432	1.9
291.20993	1.6
297.16052	1.4
297.22351	1.7
307.20569	1.7
309.22125	1.8
313.21509	2.0
315.23282	2.3
333.24487	1.5
335.23737	2.0
349.23892	3.2
365.28479	9.8
381.32004	3.6
383.29590	3.5
395.29352	1.9
403.29855	2.7
421.31107	4.8
439.32455	4.6
513.35693	18.0
515.38940	8.3
533.39758	10.0
549.71216	1.5
551.40936	5.8
555.36951	3.4
589.42175	2.4
607.43585	47.1
608.44421	2.9
625.44659	100.0
626.45056	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27081	1.2
53.03942	4.2
54.72208	1.3
55.01878	9.6
55.05270	2.3
55.05516	28.9
56.99465	1.2
57.03438	6.4
57.07077	3.7
59.05011	1.5
65.03947	2.5
67.05511	53.6
69.03429	2.0
69.07073	25.7
69.24950	10.8
71.04977	3.5
71.08622	1.2
79.05497	31.7
81.03429	1.7
81.07063	47.4
83.04990	5.1
83.08630	13.4
85.06564	2.7
91.05491	33.3
92.04453	1.2
93.07048	32.8
95.04986	5.0
95.08614	34.1
95.27760	1.3
97.06547	11.0
97.10170	9.6
99.08107	2.5
105.07040	32.5
107.04984	3.5
107.08604	24.9
109.06512	3.3
109.10158	20.0
111.08109	2.9
115.05482	2.5
117.07030	16.7
118.07346	1.5
119.08591	23.7
120.34486	1.2
121.06503	4.1
121.10146	12.2
123.08081	2.8
123.11761	6.4
125.09618	7.3
128.06244	6.3
129.07025	15.5
130.07892	2.0
131.08582	25.9
133.06506	1.7
133.10135	22.2
135.08037	5.5
135.11710	9.8
137.09645	2.3
137.13258	1.5
139.11143	1.6
141.07037	6.2
142.07808	3.7
143.08565	18.3
145.06526	1.9
145.10121	21.0
147.08096	2.9
147.11705	10.8
149.09680	4.2
149.13261	4.3
151.11214	2.8
154.07756	2.3
155.08546	12.3
155.10701	1.9
156.09377	3.5
157.10141	19.6
159.08060	1.8
159.11719	17.0
159.12918	2.0
161.09683	1.4
161.13229	8.9
163.11215	1.9
163.14954	1.4
165.07004	2.2
167.08601	6.0
168.09399	1.7
169.10126	15.4
171.11702	17.0
173.11900	2.2
173.13254	10.1
175.11220	1.5
175.14894	4.0
179.08533	3.6
180.09296	1.8
181.10156	6.1
181.81825	1.5
182.10837	1.6
183.11716	16.7
185.13277	13.4
187.11258	2.3
187.14830	5.2
189.11241	2.5
189.12747	1.7
193.10208	3.0
195.11679	8.7
197.13292	12.1
199.14903	8.1
201.12715	1.8
201.16435	4.1
203.17957	1.8
207.11685	3.1
208.12592	1.5
209.13341	8.6
211.14778	6.7
213.12842	1.7
213.16428	5.2
215.14345	1.9
221.13306	4.2
223.14888	5.4
225.16388	4.5
227.12764	4.9
227.14691	1.4
227.17920	3.1
235.14890	3.6
235.17027	1.5
237.16383	4.8
239.18034	3.6
241.19530	4.0
243.15912	2.1
249.16376	2.0
251.18155	2.1
253.19580	2.0
255.17456	1.5
257.19174	3.0
259.20578	2.8
263.17923	1.6
265.19345	2.3
271.20505	1.5
273.18594	2.1
275.20071	8.5
291.19522	1.8
301.21750	1.4
311.23795	1.7
327.23282	1.7
333.24277	4.0
341.25128	1.9
347.22443	1.8
349.23822	4.7
363.26999	1.7
364.12650	1.4
365.28455	3.9
379.30090	3.4
381.31631	4.1
383.29553	3.2
403.29761	1.4
421.30960	4.4
435.32751	2.0
505.40381	1.5
513.35828	14.1
515.38794	6.9
527.37354	2.5
533.40070	11.8
543.36182	1.8
551.41138	7.0
552.51990	1.5
555.36835	2.2
589.42767	3.6
597.45349	1.5
607.43591	41.8
625.44611	100.0
626.45105	4.6
633.29535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	10.0
55.01878	25.9
55.05272	2.7
55.05519	36.8
57.03443	8.9
57.07075	3.4
65.03944	6.0
67.05513	71.2
68.69162	1.3
69.03423	7.9
69.07079	64.5
69.15907	2.8
69.16311	14.0
71.05000	5.6
71.08615	1.4
75.43274	1.4
79.05502	65.7
81.03413	6.8
81.07066	68.6
83.04993	11.5
83.08629	13.2
85.06556	3.3
91.05489	57.9
93.07054	57.2
95.01336	3.9
95.04983	31.2
95.08615	48.6
97.02928	3.1
97.06541	25.1
97.10188	9.6
99.08109	2.9
103.05470	2.6
105.04499	2.4
105.07043	50.4
107.04957	10.8
107.07899	1.9
107.08602	32.6
109.06517	9.9
109.10166	19.9
111.08059	4.3
115.05508	3.4
116.06261	2.0
117.07024	23.3
119.04939	1.5
119.06063	1.5
119.08592	43.7
121.06503	5.3
121.10165	18.5
123.08070	5.6
123.11736	6.1
125.09646	8.8
128.06244	3.8
129.07013	14.9
130.07834	1.5
131.08583	34.6
133.06508	4.5
133.10136	30.4
135.08089	9.2
135.11723	16.4
137.09592	4.2
141.07018	5.4
142.07829	3.8
143.08571	21.7
145.10139	32.0
147.08072	5.0
147.11726	17.4
149.09631	7.0
149.13284	8.8
151.11176	2.8
154.07898	1.6
155.08574	9.7
156.09366	2.4
157.10156	14.3
159.11708	19.2
161.09648	5.5
161.13264	12.3
163.11221	4.4
163.14882	2.4
165.09102	2.0
167.08577	2.5
169.10153	10.9
171.10278	3.1
171.11696	14.8
173.09602	2.5
173.13310	12.0
175.11247	4.4
175.14873	5.0
177.12827	3.8
179.08591	2.1
179.14389	2.6
181.10168	7.5
183.11726	10.2
185.09616	3.1
185.13277	11.0
187.11227	2.1
187.14836	6.9
193.09976	2.3
195.11755	5.8
197.13284	7.5
199.14877	7.2
205.12218	3.8
207.11795	2.8
209.13379	5.2
211.14883	3.8
213.16464	5.0
219.11711	2.1
221.13368	1.7
223.13277	4.5
223.15128	3.6
225.16513	2.8
229.19612	1.9
231.17429	2.0
231.21074	1.7
235.14964	1.8
237.16483	3.7
239.18214	1.7
241.19528	11.3
245.19133	2.6
255.17674	2.2
257.19125	4.7
259.20636	13.0
261.22229	1.9
273.18555	23.7
275.20053	24.5
277.21548	2.3
291.19571	71.5
298.99329	1.5
311.23886	2.4
313.21695	1.9
315.23169	3.4
317.24896	2.0
333.24472	9.4
335.25977	5.8
337.25491	2.1
339.23340	2.4
347.22424	4.5
349.23859	14.7
409.31107	1.6
419.33337	2.4
421.31006	2.1
423.21530	2.8
435.32584	3.5
437.24423	1.6
437.34439	9.3
441.48953	1.8
477.77127	1.8
501.36084	2.2
509.36526	2.6
511.38028	6.2
513.35870	5.7
515.38983	4.8
527.37646	3.6
529.39032	4.8
533.40027	9.3
551.41077	5.3
555.36853	3.5
566.25275	2.3
597.45563	2.2
607.43616	37.0
608.44373	1.8
625.27673	6.8
625.44690	100.0
626.44769	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
53.03947	5.0
55.01878	13.5
55.05512	45.0
57.03435	5.4
57.07074	4.3
59.04994	1.4
65.03934	4.3
67.05507	75.5
69.03416	2.5
69.06687	1.7
69.07067	34.1
71.04984	4.6
71.08643	2.4
79.05493	55.2
81.03423	3.6
81.07057	65.1
82.72140	1.4
83.04979	7.2
83.08622	21.9
84.46059	1.5
85.06553	4.2
91.05486	46.2
93.07049	50.9
95.04971	10.1
95.08610	44.6
97.00008	1.3
97.06533	8.8
97.10158	18.5
98.21629	2.5
99.08101	4.8
103.05475	1.4
105.04514	2.1
105.07034	44.4
107.04980	6.3
107.08597	26.9
107.09299	1.7
109.06533	4.6
109.10155	23.8
109.10848	2.2
111.08092	5.7
113.09612	2.0
115.05443	3.5
117.07020	24.3
119.08582	29.5
121.06513	4.3
121.10138	18.3
123.08109	2.7
123.11734	5.2
123.66673	1.4
125.09621	12.8
128.06229	4.7
129.07013	21.4
131.08572	28.1
133.06586	2.0
133.10117	22.2
133.10976	2.1
135.08072	6.5
135.11685	8.9
137.09665	2.8
139.11221	1.8
141.06979	7.3
142.07776	4.8
143.08559	26.0
145.06511	2.2
145.10133	25.5
145.11186	2.7
147.08009	3.0
147.11681	12.5
149.09648	4.2
149.13257	6.2
151.11249	2.9
154.07794	1.9
155.08530	12.0
156.09383	2.9
157.10127	21.6
159.08072	2.6
159.11673	20.6
161.09637	2.5
161.13298	6.6
163.11244	1.5
163.14821	1.7
165.07077	1.7
167.08618	8.2
168.09270	1.9
169.10133	18.2
171.08066	1.8
171.11670	16.6
173.09721	4.3
173.13240	12.3
175.11269	2.8
175.14870	3.4
177.12819	2.6
179.08664	2.4
181.10147	9.4
183.11676	17.6
185.09724	2.0
185.13260	13.4
187.11285	2.8
187.13365	1.6
187.14885	7.2
189.11247	5.7
189.12767	1.7
189.16431	1.7
193.10191	3.4
195.11673	7.4
197.13297	13.0
199.14824	9.3
201.16437	4.2
207.11691	2.3
209.13217	9.3
211.11108	1.9
211.14803	8.2
213.16486	4.4
215.18042	3.1
223.14932	6.8
225.16505	5.3
227.12866	6.9
227.17978	3.0
229.14403	2.7
229.19603	2.3
235.14803	3.7
237.16341	3.7
239.18098	3.7
241.19588	4.3
251.17874	3.3
253.19606	2.9
255.21169	2.8
257.19168	5.3
259.20651	4.1
261.16492	1.6
263.17764	1.6
267.21127	1.9
273.18619	3.5
273.22345	2.0
275.20163	6.7
276.20166	1.6
279.21115	1.6
281.18988	2.0
283.20538	2.8
291.19470	8.6
293.21106	2.9
296.94611	1.5
297.22147	1.8
301.21634	2.1
301.25330	3.3
311.23593	2.0
315.23141	1.9
319.20627	1.9
320.16135	1.5
327.23120	2.6
333.24481	1.9
341.24753	1.9
365.28711	2.5
379.29974	4.5
381.31635	5.5
383.29794	2.1
391.30017	1.8
437.33905	1.6
451.32544	1.6
453.33871	2.3
471.34265	1.8
497.36481	1.9
513.35846	8.1
515.38519	5.6
525.35913	4.0
527.37280	3.8
533.40173	6.0
551.40692	6.7
589.42572	2.3
607.43567	31.9
608.44537	2.0
625.29437	4.3
625.44666	100.0
626.45306	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01875	51.3
55.05518	32.5
57.03427	12.1
57.07076	6.9
65.03957	4.9
65.35124	2.9
67.05508	69.8
69.07069	100.0
69.23335	16.4
69.23763	9.9
71.04990	3.8
71.08189	2.8
71.08609	2.9
72.67395	2.6
79.05493	64.3
81.03411	5.9
81.06593	4.0
81.07059	77.7
83.04975	11.1
83.08624	13.9
91.05488	68.0
93.07043	53.2
95.01352	6.0
95.04968	10.3
95.08612	48.3
97.06524	55.5
97.10172	5.3
98.21542	5.6
99.08081	3.1
105.07030	83.9
107.04945	15.2
107.08596	30.9
109.06501	5.2
109.10149	20.1
111.08047	3.1
115.05500	4.2
117.07025	29.3
119.08585	58.9
121.06472	5.0
121.10152	19.9
123.04427	3.8
123.08049	7.7
123.11673	4.6
125.09647	6.7
128.06239	5.7
129.07008	21.3
130.07768	3.1
131.08569	50.3
133.10123	40.6
135.08060	3.6
135.11693	16.9
139.11200	2.9
141.06995	8.2
142.07780	6.2
143.08548	30.9
145.06471	4.2
145.10123	46.6
147.11682	29.9
149.09607	9.5
149.13193	5.8
155.08514	18.2
156.09367	5.0
157.10117	30.2
159.11693	31.9
161.13266	22.1
163.11154	3.5
167.08582	9.4
168.09315	3.0
169.10146	25.4
171.10252	5.5
171.11649	31.9
173.13263	25.1
175.11171	4.1
175.14793	11.9
177.12764	4.1
179.08594	3.1
179.14326	5.6
181.10085	10.6
183.11649	20.9
185.09550	3.7
185.13254	16.3
187.11246	4.2
187.14833	9.7
189.12721	5.4
195.11707	12.4
197.13277	13.3
199.14781	14.3
207.11626	3.8
209.13260	8.1
209.77028	2.8
211.14821	9.7
213.12723	3.3
213.16483	7.5
215.14348	3.2
221.13240	3.9
223.14819	8.2
227.18143	3.7
231.21077	3.3
235.14781	4.9
237.16412	6.4
239.17926	6.3
241.19579	16.7
249.16341	3.2
257.18967	9.9
259.20621	24.0
275.17404	4.8
275.20120	48.9
293.21338	4.4
297.22028	4.3
299.23480	3.7
311.23511	3.6
315.23199	8.2
323.23642	3.5
329.24911	3.2
333.24240	30.3
349.23721	36.6
351.24966	3.2
417.31433	4.4
435.32776	7.9
437.34015	20.6
455.35504	4.2
495.34387	5.1
501.35553	6.1
509.36508	5.5
511.37753	16.9
513.35608	12.1
515.38599	4.8
526.24585	3.4
527.37433	5.6
529.38782	9.1
533.40082	15.6
537.36053	2.8
551.40942	11.8
555.36548	6.1
556.37640	5.0
607.43591	64.8
625.34644	4.4
625.44659	88.4
626.44806	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	625.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.01865	10.4
55.05520	34.4
55.62354	3.9
57.03425	11.3
65.03939	5.7
67.05508	100.0
68.05794	3.6
68.70491	3.7
69.03440	7.2
69.07065	31.7
69.61236	6.6
69.61649	14.7
71.04985	13.1
79.05496	61.0
81.03410	16.6
81.07066	72.5
82.07400	5.1
83.04976	12.0
83.08649	17.9
85.06522	6.0
91.05493	76.0
92.05780	4.8
93.07052	71.8
95.04975	11.7
95.08608	56.4
97.06535	18.1
97.10155	17.1
105.07039	62.6
107.04961	10.7
107.08602	32.4
109.06517	11.4
109.10155	22.9
116.06207	4.1
117.07034	31.4
119.08588	41.4
120.08951	4.2
121.06511	6.8
121.10178	18.3
123.08115	4.4
123.11713	9.6
125.09634	9.9
128.06235	6.1
129.07005	22.2
131.08574	42.6
133.06453	7.2
133.10147	30.4
135.08055	6.6
135.10797	3.7
135.11742	13.4
136.42424	3.8
137.09602	5.0
141.06956	12.8
142.07832	3.9
143.08549	28.1
143.29694	3.9
145.10130	36.1
147.08063	4.0
147.11703	14.6
149.09598	8.3
149.13277	8.6
151.11180	5.4
155.08554	11.9
157.10170	20.5
159.11687	29.0
161.13309	9.9
163.11183	6.7
167.08537	4.5
169.10127	15.4
171.11732	19.1
173.09721	4.7
173.11821	5.5
173.13261	13.2
181.10118	8.1
183.11696	14.1
185.13316	10.1
195.11708	10.7
197.13240	12.6
199.14847	4.2
209.13382	4.6
211.14835	8.7
223.14993	7.1
225.16396	5.6
237.16415	6.1
239.18008	4.6
259.20651	4.4
275.20120	14.3
276.20468	8.6
285.22394	7.1
353.24753	8.6
371.25812	14.4
389.26697	11.6
445.29486	84.5
463.30490	23.4
513.35486	10.2
515.38788	4.3
527.37579	18.2
533.39844	10.2
584.62134	4.0
607.43005	24.1
625.36133	6.3
625.44653	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3586
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
52.25223	3.1
53.03952	9.4
55.01865	13.8
55.05519	53.9
55.57444	3.0
57.03438	12.1
57.07072	4.5
59.04976	3.6
61.29800	2.9
63.88767	3.0
65.03909	7.5
67.05511	100.0
69.03428	7.9
69.07072	34.2
69.51472	6.4
69.51882	17.4
71.04990	11.0
75.03855	3.3
79.05497	65.6
80.05845	3.4
80.20138	2.9
81.03415	14.3
81.07061	85.9
82.07381	3.7
83.04981	18.1
83.08618	21.3
85.06542	4.8
88.86469	3.3
91.05491	71.6
92.05830	3.9
93.07054	67.9
95.04971	14.5
95.08616	39.8
97.02901	6.4
97.06534	19.9
97.10184	15.5
98.98492	3.6
99.08106	4.8
105.04518	3.9
105.07044	63.2
106.07353	4.1
107.04973	8.0
107.08594	31.1
109.06520	10.8
109.10146	29.7
111.08048	4.3
117.07008	27.2
119.08591	43.7
121.06531	8.0
121.10139	18.9
123.08118	6.4
123.11726	6.8
125.09621	11.3
127.04008	4.3
128.06244	4.0
129.07027	24.0
131.08563	43.1
133.10146	31.2
135.08115	3.8
135.11729	13.0
137.09586	4.7
141.06976	10.2
143.08548	25.7
145.10139	41.3
147.08055	6.9
147.11728	21.2
149.09671	7.0
149.13272	8.1
150.09853	3.5
155.08514	15.6
156.09395	3.9
157.10162	27.2
159.11742	24.8
161.09613	4.2
161.13297	6.8
163.11177	5.5
167.08572	7.4
169.10170	17.7
170.48878	3.7
171.10358	4.7
171.11667	22.4
173.13264	13.2
175.11197	3.7
181.10086	7.7
183.11719	18.2
185.13298	11.4
187.13290	3.8
187.14885	7.2
195.11699	10.2
195.13528	3.2
197.13313	16.4
199.14879	9.9
201.16457	4.4
207.11824	5.3
209.13277	6.2
211.14856	11.7
213.16451	5.3
221.13431	4.1
223.14876	7.1
227.12785	7.1
241.19550	5.9
253.19565	4.2
257.18942	4.8
259.20792	4.0
273.18491	3.9
275.20181	19.8
276.20294	8.1
325.25253	3.9
337.21664	3.8
353.24667	11.6
360.50763	4.3
365.28513	4.4
371.25812	10.6
389.27029	9.1
445.29538	70.7
463.30386	23.0
513.35651	9.5
515.38965	9.3
527.37219	16.4
533.40057	5.4
551.40771	7.6
589.42194	3.4
607.35077	5.1
607.43744	36.3
625.36078	7.6
625.44635	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	44.5
56.72516	15.1
57.03420	27.3
57.07057	65.4
58.68457	16.5
59.16865	16.1
63.31196	15.2
67.05508	91.8
67.38736	17.9
69.07060	32.9
70.06567	18.8
70.81058	43.6
71.08627	40.1
79.05492	52.6
81.07066	88.5
83.08646	21.4
85.10189	19.6
91.05470	83.8
93.07043	70.7
95.08601	57.8
105.07022	83.6
107.08601	45.0
109.10132	25.1
113.38939	17.8
117.07054	23.5
119.08582	49.5
121.10120	33.4
133.10089	48.3
145.10124	31.2
147.11668	55.0
161.13219	25.5
199.45953	18.5
235.54483	18.9
241.19470	31.1
259.20566	69.0
277.84509	17.8
283.42194	19.5
313.27475	100.0
333.24280	68.7
341.00644	21.8
403.50735	18.5
455.69327	19.7
624.55176	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19946	1.7
53.03940	8.8
55.01862	5.6
55.05277	2.0
55.05520	22.9
57.03450	13.6
61.02911	5.8
65.03944	4.3
67.05510	58.0
69.03442	19.5
69.07072	20.8
69.46529	14.4
71.04996	7.9
73.02926	5.2
79.05502	39.2
81.03425	37.8
81.06590	3.6
81.07065	71.7
83.04990	24.6
83.08620	13.7
85.02916	13.5
85.06534	5.9
91.03998	2.9
91.05488	37.1
93.06483	3.5
93.07053	57.0
95.04993	10.6
95.08064	2.7
95.08623	23.5
95.58952	1.9
97.02904	14.9
97.06542	12.9
97.10191	3.7
98.20762	3.6
99.04448	5.8
99.08082	3.8
103.05482	2.1
105.04580	2.1
105.07042	25.4
107.04976	2.3
107.08607	29.2
109.02905	10.0
109.06518	5.3
109.10183	13.7
111.04456	8.2
111.08102	5.6
115.05475	2.1
117.07055	14.0
119.08585	10.7
121.06517	6.1
121.10148	17.0
121.49124	1.8
123.04475	2.7
123.11721	3.8
127.03908	7.3
129.05495	10.7
129.07042	5.5
130.77332	2.0
131.08585	16.2
133.06503	2.5
133.10138	15.4
135.11708	12.1
137.09613	2.5
143.08588	5.7
145.06458	3.3
145.10178	6.9
147.04459	2.5
147.11624	10.0
149.09615	2.9
149.13266	21.1
151.11201	2.1
155.08560	4.3
155.10687	2.0
157.10164	3.8
159.11702	12.8
161.13245	2.7
171.11803	4.0
173.04483	4.6
173.11790	2.5
173.13315	2.5
177.12776	9.8
183.11722	2.8
185.13260	2.0
195.09941	2.0
195.11861	3.4
195.13840	16.9
197.13290	2.4
201.12654	1.9
213.14891	4.1
243.08473	2.2
267.15936	4.7
269.17511	29.9
303.16043	3.6
339.18179	6.2
353.24820	5.9
371.25702	2.8
377.19846	2.5
389.26746	3.7
395.20657	3.1
413.17136	3.9
413.22601	10.5
445.29565	21.1
453.20883	8.3
458.65875	1.9
463.30588	46.8
480.18701	2.1
607.34845	32.5
625.31940	100.0
626.31982	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	623.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52975	0.7
53.03946	4.7
55.01873	6.8
55.05515	38.1
57.03443	4.1
57.07074	2.2
59.04996	1.4
62.43341	0.8
65.03937	2.7
67.05508	47.0
69.03441	3.9
69.07070	20.1
71.04990	3.4
77.03907	1.1
79.05497	37.4
81.03431	3.9
81.07059	40.4
83.04986	5.9
83.08619	15.0
83.09061	1.3
85.06565	2.7
91.05486	33.7
93.07050	27.2
93.07639	1.4
95.04981	5.1
95.08611	25.9
97.02925	1.6
97.06543	3.6
97.10178	20.4
98.20724	1.8
103.05490	1.1
105.04562	1.5
105.07035	29.6
107.04965	5.3
107.08598	25.4
109.06532	4.6
109.10154	15.4
111.08086	3.7
115.05457	5.1
117.07021	18.9
119.08591	22.2
121.06526	2.2
121.10154	8.8
123.08085	2.7
123.11746	4.1
125.09636	17.3
127.89858	0.7
128.06207	5.0
129.07013	19.2
130.07787	1.7
131.08574	21.3
133.06526	1.3
133.10136	16.8
135.08040	3.5
135.11684	6.9
137.09642	2.2
137.13100	0.7
141.07001	9.0
142.07777	3.2
143.08557	15.4
144.09337	1.4
145.06499	2.0
145.10129	17.5
145.11162	1.4
147.08043	2.8
147.11699	8.8
149.09673	2.3
149.13310	2.2
151.11285	1.0
152.06354	0.9
153.07030	2.8
153.09073	1.2
154.07803	2.7
155.08566	15.8
155.92854	0.7
156.09380	1.7
157.06483	1.1
157.10138	15.4
159.08090	1.7
159.11696	11.4
161.09625	1.6
161.13190	3.8
163.11195	2.5
163.14885	1.3
165.07022	2.5
165.09190	0.9
166.07802	2.5
167.08577	7.8
168.09354	2.0
169.06421	0.8
169.10143	15.4
171.08073	1.2
171.10252	1.4
171.11674	12.5
173.09659	1.8
173.11893	1.5
173.13287	7.5
175.11232	1.4
175.14877	1.6
177.12788	1.0
178.07828	1.4
179.08566	4.2
180.09438	2.1
181.10126	9.4
182.10963	2.2
183.08138	1.4
183.11703	13.5
184.12457	1.5
185.09605	1.7
185.13246	8.2
187.13316	1.0
187.14871	3.1
189.11235	9.3
189.12781	1.5
191.08688	1.0
191.14229	1.0
192.09222	1.0
193.10147	4.3
194.10876	1.5
195.11731	9.5
196.12567	1.4
197.09595	1.2
197.13292	10.7
199.14777	4.6
201.12909	0.8
201.16472	1.4
205.10223	1.6
205.12257	1.1
207.11786	4.5
207.13519	1.0
208.12399	1.1
209.09804	1.0
209.13249	7.7
209.15131	1.0
211.11243	1.3
211.14864	7.2
213.12749	1.1
213.16460	2.1
215.14424	1.0
215.17860	0.8
219.11734	2.8
221.13324	3.1
222.14041	1.0
223.11359	0.8
223.13052	1.7
223.15054	6.7
225.12895	1.4
225.16357	4.6
227.12688	8.4
227.17989	1.7
229.19513	1.0
231.11629	1.0
233.13353	2.0
235.14854	4.6
237.12741	0.9
237.16457	3.4
239.14429	1.1
239.18051	5.5
241.19608	2.7
245.24049	1.0
247.14932	2.2
247.20981	0.8
249.16484	1.9
251.14211	0.8
251.18036	3.1
253.19580	2.0
255.17532	1.8
257.19125	4.2
259.20697	3.5
263.18045	1.5
265.19598	1.4
267.21082	1.5
269.19156	1.3
271.20566	1.5
273.18658	4.2
275.17694	0.8
275.20209	6.5
277.19653	1.1
281.19235	1.8
281.22552	0.8
283.20535	1.0
291.19559	12.8
295.20685	1.6
297.18634	0.9
297.22174	2.2
311.23682	1.4
313.21759	1.3
315.23349	2.5
319.20773	1.0
321.22470	1.4
331.23093	0.9
335.23727	1.0
353.24899	1.2
363.26794	5.1
373.41864	0.9
377.28491	3.0
379.25827	0.9
379.30048	10.5
381.28104	1.9
409.27850	1.0
433.31232	1.7
435.32794	1.4
437.30612	1.6
445.30795	1.4
451.32318	1.8
469.33316	1.6
489.22922	1.0
503.39331	1.1
513.37317	4.9
517.22278	1.3
525.35797	10.0
531.38416	7.1
545.21857	3.8
549.39557	5.3
553.35474	1.5
554.36176	3.6
565.39612	1.0
567.40588	1.6
573.22406	1.2
595.43829	1.6
605.24249	7.4
605.42010	17.1
623.25916	6.8
623.43085	100.0
624.43579	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	623.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
54.61401	1.3
55.01875	9.9
55.05268	2.0
55.05515	26.5
57.03440	17.3
57.07076	3.8
65.03947	8.3
67.05510	90.8
69.03434	2.7
69.07079	21.4
69.28477	8.6
69.28882	3.1
71.04995	5.2
78.04668	1.3
79.05500	56.1
81.03413	6.8
81.07064	58.9
83.05014	7.2
83.08636	11.9
85.06563	11.1
90.56307	1.3
91.05484	64.8
93.06478	2.9
93.07051	47.9
95.01334	2.5
95.04978	78.4
95.08612	41.9
97.06544	10.7
97.10160	4.2
99.08099	2.1
103.05502	2.6
104.06315	1.5
105.04524	2.0
105.07037	57.4
107.04970	15.4
107.08608	27.0
109.06531	41.7
109.10155	11.8
111.08094	4.2
113.06013	18.0
115.05488	2.3
116.06290	1.8
117.07027	29.1
119.07804	2.8
119.08594	39.0
121.06504	7.5
121.10133	12.2
123.04410	1.9
123.08060	7.8
123.11695	3.6
125.09624	1.9
128.06230	5.5
129.07033	18.1
130.07802	3.3
131.04990	1.5
131.08583	38.9
133.06525	5.0
133.10146	25.1
135.08073	20.7
135.11717	14.2
136.25374	1.5
137.09616	3.6
139.11169	1.3
141.06989	8.1
142.07835	3.9
143.08586	25.1
144.41524	1.4
145.06490	3.2
145.10129	25.8
147.08080	8.6
147.11697	17.5
149.09636	4.9
149.13275	6.7
151.11243	1.7
153.07013	1.9
154.07687	1.3
155.08530	8.1
157.10123	15.9
159.08101	5.2
159.11711	18.8
161.09666	7.0
161.13219	6.7
163.11215	6.2
167.08577	7.1
168.09271	2.1
169.10143	10.9
171.08127	2.2
171.11688	16.0
173.09628	2.9
173.13239	10.9
173.39391	1.5
175.11290	3.4
175.14882	3.8
177.12779	4.1
179.08698	2.9
179.14336	2.1
180.09317	1.5
181.10144	8.8
182.10777	1.7
183.08138	1.7
183.11688	9.4
185.09657	2.0
185.13252	9.9
187.11247	5.3
187.14844	4.3
193.10057	3.1
195.11723	7.9
195.13513	1.9
197.09637	2.0
197.13316	4.6
199.11299	1.4
199.14796	6.8
201.12794	2.2
201.16426	3.4
205.10384	1.4
205.12265	2.5
207.11665	5.0
207.13583	1.4
209.13255	3.7
211.11264	1.4
211.14867	1.7
213.16422	2.7
217.15892	5.9
221.13315	3.5
223.14828	4.0
225.12494	1.5
225.16505	2.4
227.14413	1.7
227.18025	3.5
229.15765	1.5
233.13263	2.6
239.17924	2.9
241.19499	5.3
247.14906	2.4
255.17426	3.5
257.19049	2.9
259.20624	6.9
271.16904	1.7
273.18533	30.6
275.20007	4.2
279.15970	7.5
291.19565	27.9
297.22086	2.1
311.23648	1.8
315.23227	2.9
321.22366	1.6
325.21677	1.6
327.26767	4.4
333.24435	9.6
339.85825	1.3
347.22260	13.0
365.23743	2.5
389.17978	2.1
405.20654	3.7
417.17264	1.6
431.18375	1.8
432.19489	1.9
433.20135	3.0
461.32999	2.0
503.38870	2.3
513.36816	4.8
519.23810	6.5
531.38110	7.1
549.39246	4.3
551.37073	1.8
563.26587	3.0
565.38599	1.9
567.40540	2.1
605.42267	22.4
623.28363	31.3
623.43011	100.0
624.44055	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	623.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01670	1.3
55.01879	13.5
55.05515	37.1
57.03432	6.4
57.07072	2.6
59.04991	2.6
65.03935	5.1
67.05508	60.0
69.03427	3.5
69.06728	2.0
69.07072	28.8
71.04981	4.6
79.05498	49.5
81.03418	6.1
81.07059	53.1
83.04989	8.5
83.08627	14.3
85.06528	2.4
91.05485	49.8
93.07044	41.5
95.01346	2.0
95.04985	6.7
95.08608	34.8
97.06529	21.8
97.10170	18.3
98.20720	3.6
99.08103	1.5
102.59383	1.2
103.05497	2.1
105.04514	2.4
105.07034	48.4
107.04961	10.9
107.08598	24.5
109.06526	6.0
109.10165	19.9
111.08089	3.0
113.09599	1.4
115.05448	4.1
117.07026	20.7
119.04939	1.6
119.08586	31.9
121.06502	2.9
121.10133	10.6
123.08070	4.6
123.11738	3.3
125.09647	13.4
128.06235	6.1
129.07010	21.1
130.07771	2.8
131.08578	27.8
133.06479	1.7
133.10138	26.1
135.07997	5.7
135.11696	7.5
137.09615	3.5
138.42461	1.2
139.07419	1.1
141.06990	7.8
142.07819	4.7
143.08565	18.2
144.09348	2.4
145.06502	2.5
145.10124	23.9
145.11266	1.4
147.08046	2.6
147.11684	14.2
149.09605	9.1
149.13263	4.1
151.11188	2.0
153.06999	2.1
153.09062	1.4
154.07730	1.7
155.08562	16.5
156.09331	2.8
157.10120	16.3
159.08073	4.0
159.11699	15.6
161.09633	2.2
161.13223	6.1
163.11172	5.2
165.09135	1.5
166.07782	1.6
167.08569	8.1
168.09317	2.4
169.10120	13.4
170.10858	2.5
171.11710	12.5
173.09636	2.3
173.13266	7.6
175.11212	3.3
177.12735	2.0
179.08566	4.9
179.14282	5.8
181.10114	9.0
182.10999	1.3
183.08112	1.5
183.11690	13.8
185.09575	3.1
185.13232	7.7
187.11227	2.5
187.13142	1.1
187.14897	3.9
189.11238	6.2
189.12733	2.4
191.08661	1.2
192.09193	1.4
193.10181	3.8
193.12166	1.4
194.10956	2.0
195.11697	7.4
197.13268	12.1
199.14819	5.0
201.12810	1.8
201.16342	2.1
205.10149	2.4
207.11679	4.5
209.13303	6.2
210.13972	1.5
211.11188	1.9
211.14818	4.9
213.12737	1.7
213.16423	4.5
214.49583	1.3
219.11653	2.9
221.13348	5.7
223.12976	1.5
223.14819	3.6
225.12790	1.4
225.16338	4.9
227.12730	8.6
235.14830	2.1
237.16330	2.8
239.17960	5.5
246.61772	1.4
247.14894	1.9
247.20560	1.4
251.17989	2.5
253.19589	1.9
257.19061	9.9
259.20551	2.9
265.19479	1.7
267.21057	2.0
271.20511	1.8
273.18567	3.8
275.20090	33.7
283.20563	2.2
291.19580	5.6
293.21234	2.3
295.20407	2.2
297.22107	2.3
299.20050	1.9
299.23703	3.3
310.95340	1.6
312.75229	1.5
315.23383	2.3
331.22510	2.8
333.22122	1.9
349.23889	2.1
363.26846	2.4
377.28763	2.3
379.29968	4.9
417.16727	1.9
419.22333	2.1
431.18338	2.1
433.20187	1.8
443.18631	2.2
445.20212	4.4
446.21075	4.1
447.22021	2.4
451.32303	1.6
457.20721	1.4
459.21692	1.9
460.21927	1.6
461.23428	1.5
461.29413	1.6
469.33087	2.0
476.22226	1.8
477.22766	3.2
511.34384	1.7
513.37091	3.5
521.21375	1.8
525.35956	13.1
531.38147	6.9
533.25641	7.4
549.39026	6.6
553.35181	1.9
554.36017	1.6
563.26733	8.4
587.40985	2.8
593.27710	1.7
605.42017	19.4
623.28381	44.6
623.42834	100.0
624.28723	3.4
624.43250	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01878	8.1
55.05513	47.5
57.03437	4.1
57.07071	3.4
59.05000	1.6
59.33360	1.0
65.03936	4.2
67.05508	52.0
69.03432	3.5
69.07074	19.7
70.91251	3.1
71.04991	5.2
79.05496	45.6
79.41925	1.0
81.03442	2.6
81.07061	44.5
83.04991	7.2
83.08624	16.2
85.06555	2.6
91.05486	38.2
93.06482	2.1
93.07047	35.1
95.04987	6.1
95.08611	30.0
95.81715	1.1
97.02916	1.9
97.06532	4.8
97.10181	22.7
103.05464	2.0
105.04532	1.0
105.07042	32.1
107.04956	3.9
107.08609	23.3
109.06538	3.9
109.10166	15.5
111.08077	3.0
113.00074	1.3
115.05479	5.1
117.07025	20.0
119.08588	25.0
121.06534	2.1
121.10172	9.4
123.08073	2.4
123.11713	3.6
125.09634	19.6
125.17634	1.1
128.06258	8.4
129.07014	22.0
130.07800	1.4
131.08585	22.0
133.06534	2.0
133.10147	15.2
135.08090	5.3
135.11719	5.2
137.09589	2.5
141.07002	11.2
142.07784	4.8
143.08582	19.3
144.09344	1.5
145.06506	3.5
145.10135	19.9
147.08044	2.3
147.11696	9.9
149.09648	2.5
149.13254	3.3
153.07025	4.6
153.09097	1.6
153.12759	1.3
154.07793	4.1
155.08575	19.1
156.09355	2.1
157.10143	20.3
159.08054	2.7
159.11688	11.4
161.09726	1.9
161.13281	3.7
163.11237	1.5
165.07016	3.1
166.07742	1.7
167.08577	9.8
168.09383	3.9
169.06467	1.4
169.10124	17.0
170.10886	1.4
171.08093	1.6
171.10280	2.4
171.11662	13.8
172.12521	1.7
173.09677	2.0
173.13246	6.2
175.11189	1.8
175.14886	3.0
177.12775	1.4
179.08557	4.2
180.09406	1.7
181.10126	13.0
182.10930	1.8
183.11678	15.9
185.09705	1.8
185.13306	11.6
187.11195	1.4
187.14883	2.6
189.11201	9.2
193.10197	5.1
194.10945	1.8
195.11714	10.2
197.09669	1.4
197.13275	11.1
199.11227	1.4
199.14880	4.6
201.16399	1.4
205.10216	1.9
206.11082	1.4
207.11696	6.4
209.13295	9.4
211.11263	2.2
211.14874	7.1
213.16408	6.5
215.14223	1.6
217.10110	1.7
219.11703	2.8
221.13284	3.9
223.11235	1.5
223.14885	5.0
225.12888	1.9
225.16409	3.6
227.12717	14.2
227.17964	2.1
233.13246	2.0
235.14886	4.1
237.16451	3.6
239.17967	5.8
241.15981	1.8
241.19540	2.8
249.16515	2.3
251.18030	2.8
253.19569	2.8
255.17458	1.7
257.19043	3.4
259.20688	2.6
263.17984	3.0
265.19568	1.5
271.17044	1.3
273.18619	2.7
275.20074	5.0
277.19333	1.6
279.21088	1.7
289.18250	3.0
291.19556	11.8
295.20706	1.8
297.22092	2.3
299.23569	2.4
309.22150	1.9
313.21808	2.6
315.23337	2.7
321.21863	1.4
323.24002	2.0
327.23404	1.5
335.23654	1.4
349.24796	1.5
363.26944	2.3
377.28888	2.5
379.30136	12.7
381.28265	1.8
433.30679	1.2
435.32489	1.5
494.80145	1.1
511.37680	2.7
513.37378	4.2
525.35992	6.1
531.38446	6.4
549.39526	5.2
554.36243	4.8
567.40588	3.4
587.40198	1.2
605.42065	18.7
623.27295	4.6
623.43097	100.0
624.42780	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	623.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03943	6.0
55.01869	8.5
55.05267	1.9
55.05515	27.4
57.03447	6.2
57.07079	3.3
63.99858	1.0
65.03933	3.8
65.82525	1.1
67.05509	64.2
68.46340	1.2
69.03432	3.9
69.07073	24.2
71.04985	4.4
77.03935	1.3
79.05023	1.4
79.05496	45.2
81.03423	7.3
81.07061	58.9
83.04996	7.2
83.08633	10.2
83.09091	1.7
85.02921	1.3
85.06546	4.4
91.05486	57.7
93.07049	41.8
94.04191	1.0
95.04983	8.1
95.08611	42.7
97.06542	10.8
97.10167	6.1
99.08106	1.8
103.05495	2.3
105.04550	1.6
105.07033	51.8
107.04964	5.9
107.08591	28.5
109.06522	7.1
109.10162	21.1
111.08101	4.2
115.05434	5.0
116.06192	1.8
117.07027	22.9
119.04957	1.0
119.08588	30.8
121.06496	7.5
121.10150	12.2
123.08099	7.6
123.11733	4.6
125.05965	1.6
125.09632	3.6
127.07485	1.3
128.06238	6.0
129.07022	20.3
130.07800	2.9
131.04915	1.3
131.08572	30.6
133.06541	4.5
133.10135	33.3
133.11084	1.8
135.08064	7.8
135.11691	9.7
141.07007	8.5
142.07803	6.1
143.08574	20.7
144.09346	2.2
145.06500	3.8
145.10129	27.9
147.08069	3.6
147.11702	12.9
149.09621	6.0
149.13272	3.9
151.11223	7.7
153.07021	3.3
154.07782	2.3
155.08569	14.4
156.09348	3.5
157.06555	2.7
157.10133	22.7
157.11322	2.1
158.10793	1.4
159.08054	4.5
159.11690	17.4
161.09651	3.7
161.13257	7.0
163.11223	3.7
165.07054	3.0
165.12825	1.5
166.07861	2.2
167.08571	9.9
168.09370	2.4
169.06436	1.6
169.10138	17.6
169.12383	1.3
170.10861	2.2
171.08102	3.7
171.11678	17.1
173.09717	2.6
173.13303	10.5
175.11226	3.4
175.14853	4.0
177.09146	1.0
177.12817	2.2
179.08612	5.2
179.10670	1.6
180.09442	2.1
181.10107	10.8
182.10904	2.1
183.08124	2.8
183.11694	15.4
184.12524	1.4
185.09686	2.8
185.13287	14.0
187.11200	2.9
187.14890	3.5
189.12770	2.6
189.16400	1.8
191.08597	2.6
191.14346	2.0
192.09373	2.0
193.10139	7.2
194.10928	2.1
195.08023	1.1
195.11736	10.2
196.12486	1.4
197.09691	3.2
197.13289	12.0
199.11174	3.3
199.14828	6.6
201.12738	2.6
201.16382	2.4
205.10199	3.9
207.11685	6.6
208.12440	1.4
209.09760	1.8
209.13289	8.8
209.15030	1.3
211.11244	2.2
211.14862	5.8
213.12823	2.9
213.16319	5.5
219.11745	4.9
221.09695	1.9
221.13301	5.1
222.14073	1.1
223.11211	2.9
223.14865	7.7
225.12862	2.8
225.16431	4.1
227.18056	2.9
229.19531	2.4
231.11899	1.3
231.64793	1.1
233.13339	1.7
235.14885	3.3
237.12572	1.2
237.16425	4.6
239.14374	2.6
239.18005	3.6
241.16014	2.0
241.19514	5.7
245.19119	2.0
247.14864	2.2
248.15935	1.3
249.16438	3.4
251.18066	2.2
253.14133	6.9
253.19611	2.1
255.17583	3.2
257.19077	3.6
259.20660	3.3
263.17935	1.9
263.20370	1.8
265.15933	2.0
269.19165	2.1
273.18594	5.6
275.20288	6.2
283.20630	2.5
285.22284	1.7
291.19681	4.1
297.22345	1.7
309.22195	1.7
311.20074	1.5
313.21786	1.8
315.23260	2.4
319.20670	1.3
337.21713	1.5
337.25372	1.6
339.23145	1.7
347.22748	2.3
351.23096	1.5
351.26920	2.9
353.28467	6.2
363.26877	1.6
365.23825	2.0
375.26929	1.9
405.27832	2.1
409.31317	2.3
431.29922	1.2
433.31052	1.7
461.29910	1.7
495.36273	1.5
503.39124	1.8
511.34335	3.9
513.37085	5.0
525.35571	2.6
531.38367	17.7
549.39447	13.8
563.26593	1.2
587.40973	3.0
595.43628	4.1
605.41968	36.1
606.42419	1.4
623.27850	4.2
623.43115	100.0
624.43549	3.7
633.81854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.0
53.03949	4.9
55.01864	5.7
55.05515	22.1
57.03437	7.8
58.27224	1.6
61.02650	2.2
61.02932	28.5
65.03954	2.8
67.05182	2.4
67.05510	38.5
69.03433	9.0
69.07074	15.1
70.76337	3.0
70.76707	2.8
71.04989	3.8
73.02920	9.4
79.05497	37.0
81.03440	7.2
81.07065	46.3
83.04990	4.2
83.08621	12.8
84.43421	1.4
85.02911	22.3
85.06549	3.6
91.03963	12.2
91.05489	53.4
93.07050	34.2
95.04977	6.2
95.08613	26.5
97.02916	16.9
97.06553	7.8
97.10163	4.2
103.05498	3.8
103.20549	1.5
105.07042	40.1
107.04964	6.2
107.08580	15.3
109.02900	1.7
109.06525	5.7
109.10185	10.2
111.08105	4.4
115.05458	5.9
117.07021	28.7
119.04951	2.5
119.08580	19.9
121.06505	5.9
121.10146	10.1
123.08076	4.3
123.11721	1.7
125.09644	1.6
127.03941	3.3
128.06238	7.6
129.07014	36.2
130.07770	1.8
131.04941	2.6
131.08578	44.6
133.06514	5.5
133.10138	14.6
135.08067	5.0
135.11705	5.6
137.09692	2.3
141.06996	18.8
142.07784	4.4
143.08559	27.6
144.09258	1.5
145.04967	1.6
145.06487	9.6
145.10143	21.3
147.08032	7.2
147.11717	7.2
149.09622	5.4
149.13295	2.4
151.11218	3.1
153.06996	4.0
154.07771	3.3
155.08569	23.9
157.06506	3.9
157.10149	17.1
159.08054	4.7
159.11693	11.3
161.09550	1.8
161.13274	3.6
163.11220	2.6
165.06979	3.3
167.08583	10.2
169.10143	16.1
171.08031	3.5
171.11710	9.2
173.09637	3.6
173.13223	3.7
175.11191	4.7
177.12810	2.9
179.08572	2.8
180.09319	2.6
181.10162	14.8
183.11714	9.9
185.09612	2.6
185.13283	7.3
187.11197	3.3
187.14861	2.6
193.10158	6.0
193.12210	1.5
195.11708	12.6
197.09636	2.6
197.13271	8.1
199.14865	4.4
201.12738	3.2
203.14369	2.6
207.11748	4.9
209.13304	8.6
211.11230	1.7
211.14804	6.4
213.12811	3.5
213.16458	3.0
215.14357	6.8
219.11790	2.6
220.12378	1.5
221.13255	9.7
223.14841	8.0
225.12711	3.2
225.16466	3.9
233.13208	2.2
235.14835	6.5
239.14349	5.3
245.15475	1.7
251.14308	2.3
253.15874	3.9
257.15390	4.4
271.16934	3.6
305.22552	3.0
315.21048	2.2
323.23630	6.9
333.22128	13.6
341.24692	7.5
351.23196	53.1
369.24292	34.5
387.25381	20.4
407.25888	2.4
415.28729	3.1
425.26819	7.3
433.29300	2.3
443.27982	100.0
444.28339	2.2
461.29041	60.0
485.29065	1.9
623.33984	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
55.05519	1.4
55.97997	0.2
57.03427	0.4
57.07065	0.8
67.05504	1.9
69.07060	0.8
71.08637	0.5
76.62210	0.2
79.05492	1.7
81.07064	2.0
83.08639	0.8
85.06545	0.4
89.06042	0.5
91.05499	1.7
93.07052	1.6
94.22567	0.2
95.04969	0.6
95.08617	1.7
97.10220	0.4
98.20721	0.4
102.73026	0.2
105.07019	1.1
107.04946	0.5
107.08598	0.9
109.06512	0.4
109.10165	0.5
113.06004	0.3
117.07038	0.7
119.08601	0.9
121.10167	0.4
123.08083	0.2
125.09646	0.2
129.07042	0.5
131.08574	0.9
133.10126	0.8
143.08574	0.5
145.10150	0.6
147.11673	0.4
149.09760	0.3
157.10127	0.3
159.11676	0.5
166.44170	0.2
169.10175	0.6
171.11699	0.3
183.11789	0.3
185.13179	0.3
204.38165	0.2
209.10748	0.5
211.14856	0.4
213.16628	0.2
235.12242	0.3
243.37901	0.2
275.20096	0.7
289.18039	0.5
313.27490	0.6
367.35800	2.3
368.35812	1.4
369.19919	0.2
374.15533	0.3
375.16254	0.4
377.17902	0.5
387.16278	0.4
388.17062	0.5
389.17880	0.9
390.18884	0.6
391.19308	1.5
392.20239	0.4
399.16254	0.2
400.16605	0.3
401.17615	0.9
402.18637	1.1
403.14923	0.3
403.19394	1.9
404.20111	0.8
405.16257	0.3
405.21158	2.0
406.21393	0.7
407.22617	1.1
415.19763	1.4
416.20114	0.7
417.16934	1.3
417.21729	2.0
418.17871	1.0
418.22577	0.3
419.22745	3.5
420.23306	1.3
421.23901	0.3
424.54053	0.2
429.17111	1.0
429.21283	0.8
430.16904	1.5
430.22238	0.7
431.17810	2.9
431.23160	0.9
432.19528	1.3
432.24103	0.5
433.20163	6.0
434.21057	1.0
435.21942	0.6
443.17960	1.6
444.18909	2.1
445.20050	4.3
446.21274	2.5
447.22061	4.1
448.23148	1.1
449.23352	0.6
457.20239	0.7
458.20877	6.7
459.21750	5.8
460.17764	0.3
460.22791	4.2
461.18732	1.1
462.20688	0.7
463.21375	2.1
472.22751	0.6
473.23486	0.8
475.21173	1.6
476.21954	1.1
477.22946	1.7
479.24500	0.3
485.23639	0.5
486.24451	0.7
487.24878	0.7
489.22659	0.8
490.23624	0.7
491.24496	0.6
501.23306	0.3
503.20795	0.4
503.25568	0.4
504.25366	0.7
505.21915	0.3
505.26614	0.4
507.28217	0.4
511.37805	0.5
513.23053	0.3
517.22699	0.9
518.23083	4.5
519.23877	0.7
521.21436	1.3
530.23364	0.3
531.24426	1.2
532.25165	0.4
533.25525	7.2
534.25562	0.3
535.27692	1.9
545.25433	3.4
546.26257	0.9
563.26434	4.8
564.26971	0.3
565.28235	0.5
573.24927	0.9
577.28546	0.8
590.24884	0.4
591.25934	1.3
605.27606	10.9
606.28180	0.4
623.28656	100.0
624.29022	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40664	0.8
67.95092	1.0
68.30813	0.9
69.19495	2.2
69.19886	8.4
126.17608	1.1
138.91150	0.9
148.11678	0.9
155.02232	0.9
159.10640	1.2
187.61832	1.0
187.73932	0.9
229.65382	0.9
236.04163	0.9
247.56700	1.1
342.68176	1.1
389.18347	1.4
390.18866	1.2
391.19333	3.0
392.20288	1.7
400.17010	1.3
401.17685	1.6
402.19925	1.2
403.19449	1.3
405.20975	3.9
406.21603	3.6
407.22385	10.7
413.17834	2.0
414.18161	2.3
415.19339	4.0
416.20392	1.5
417.20798	2.0
419.22620	1.6
421.23871	8.5
422.24472	2.7
427.18933	2.0
428.20163	3.1
429.20865	10.6
431.22757	1.5
442.22113	1.5
443.22379	4.3
444.23349	4.2
445.20251	2.3
455.18323	1.3
457.24155	3.4
458.25058	6.2
459.21634	6.7
460.22400	2.8
461.19366	4.5
462.20560	1.6
472.22665	6.8
473.23489	2.7
475.21231	6.2
476.22253	4.1
477.22720	2.8
485.23611	10.8
486.24063	3.5
487.21036	1.7
488.22256	1.7
489.22748	3.0
499.21262	1.6
500.22205	2.9
502.23978	1.5
503.24350	5.5
513.22900	3.2
514.23785	1.6
517.26282	6.8
535.26990	3.7
545.25568	77.8
546.25891	3.6
564.26935	1.1
573.25043	17.3
591.26843	2.1
605.27625	100.0
606.27533	4.7
623.28656	84.3
624.29071	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58027	0.4
53.03951	1.1
54.00113	0.4
55.01870	1.3
55.05522	3.0
57.03438	0.9
57.07081	0.9
67.05508	6.3
69.07068	3.0
70.11057	0.5
71.08630	0.5
71.52234	0.8
72.85184	0.4
74.52282	0.4
79.05499	5.0
81.07063	5.7
83.04990	0.9
83.08626	1.0
91.05474	5.5
93.07053	4.5
95.01321	0.9
95.04979	1.7
95.08610	3.5
97.06528	2.5
97.10155	0.5
98.71746	0.4
105.07031	5.0
107.04989	2.0
107.08634	2.6
109.06471	0.6
109.10193	1.6
113.00018	0.9
117.07037	2.4
119.08591	3.0
121.06579	0.6
121.10186	1.3
123.08110	0.5
125.09703	0.5
126.23218	0.5
128.06230	0.5
128.26961	0.4
129.07030	1.4
131.08565	2.4
133.10138	3.3
135.08080	0.8
135.11736	0.9
143.08588	1.3
145.10176	2.4
147.11720	0.8
149.09651	1.3
155.08611	0.5
157.10143	1.4
159.11731	1.7
161.13258	0.5
163.11172	1.0
169.10216	1.2
171.11707	1.1
173.13347	0.6
179.08275	0.5
179.14365	1.4
183.11719	0.8
185.13335	0.7
197.13272	0.7
206.43796	0.7
255.05907	0.4
257.19077	1.2
268.42789	0.5
275.20044	4.4
276.42731	0.5
289.18231	0.8
291.19702	0.5
297.12579	0.5
309.11597	0.5
334.37128	0.5
375.16461	0.9
389.18204	0.5
390.18503	1.0
391.19186	1.8
400.16763	0.5
403.15573	0.6
404.15851	0.7
404.20630	0.6
405.20856	3.7
413.17749	0.5
414.18741	0.8
415.19376	2.0
416.19995	0.9
417.21011	1.3
418.17770	0.9
419.18655	1.3
420.23520	1.1
421.24249	1.0
428.20166	0.9
429.21045	3.4
430.21893	1.3
431.22794	0.8
433.19870	3.6
442.21359	0.5
443.22717	1.3
444.23154	1.8
445.19507	0.7
445.24634	0.8
447.17783	7.5
448.22714	3.9
449.23691	2.2
452.22266	0.9
457.24265	1.5
458.25150	0.7
459.21469	3.0
460.22733	2.0
461.19476	8.5
462.20273	1.1
463.21082	0.7
472.22607	2.0
473.23526	1.3
475.21579	1.9
476.22058	21.4
477.22354	3.0
479.20987	1.4
485.23514	4.9
487.25284	2.2
488.21994	0.7
489.18738	0.8
489.23080	0.4
503.25122	3.5
511.37827	2.2
513.22986	1.0
515.24457	3.2
517.26422	1.0
519.24176	2.0
521.26044	2.9
531.23993	7.5
535.23834	0.7
536.24017	1.2
545.25470	10.0
546.25793	0.7
549.25189	3.8
559.23566	1.8
563.26276	6.9
564.23987	0.5
591.26099	11.2
605.27765	2.2
623.28656	100.0
623.43048	3.0
624.28809	2.9
640.97351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93613	3.8
73.41483	0.8
77.45774	1.0
83.19717	0.8
91.08473	0.8
116.55468	0.7
118.06542	0.8
188.99289	0.8
207.09029	0.9
209.10727	1.0
212.12918	1.0
223.08656	1.2
225.10184	1.1
225.13892	1.1
233.10896	1.0
237.13858	1.4
251.07983	0.9
259.12524	0.9
289.13251	1.3
322.13535	0.9
389.17651	1.9
400.16797	1.0
403.15179	1.6
403.19904	1.4
404.20404	1.1
417.17209	3.1
418.17871	2.6
419.18341	1.5
425.76297	0.9
431.18726	2.8
432.19577	2.6
433.20462	2.3
445.16714	2.7
446.16867	1.9
447.17703	4.5
447.22144	5.8
448.18378	1.7
449.23447	1.5
457.20380	1.4
458.17825	1.1
459.18127	2.2
460.18445	3.9
461.19406	7.3
462.20407	4.8
474.20944	2.2
475.21292	24.8
476.22018	10.9
477.23007	8.8
478.23618	1.1
489.22800	2.9
490.23523	1.4
503.20847	5.0
505.22363	1.3
517.22974	1.3
521.22388	2.9
533.21918	1.0
534.25903	2.4
535.23151	15.5
536.24182	3.3
545.25372	1.0
547.23022	3.8
548.24316	1.6
549.24969	3.0
551.27136	1.0
562.25568	10.2
563.26532	18.0
575.23193	2.0
579.26154	1.7
590.25098	7.4
591.26392	1.6
593.24890	3.7
594.28540	4.8
605.27777	1.6
607.25610	5.8
622.27856	100.0
623.28394	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80268	2.4
51.02386	2.8
53.03410	2.3
53.03943	8.9
55.01874	10.7
55.05516	30.9
56.27525	2.4
57.03444	21.0
57.07080	66.2
64.14910	2.5
64.84438	2.5
65.03939	5.5
67.05509	91.9
69.00953	2.9
69.03432	6.3
69.07073	38.6
71.05001	9.1
71.08636	40.7
71.50755	2.6
79.05499	54.7
79.05910	3.9
81.03442	7.3
81.07061	89.3
81.07530	4.7
83.04978	13.6
83.08630	28.7
85.06572	6.1
85.10204	21.9
91.05489	64.0
93.07055	54.4
94.34798	2.3
95.04980	16.7
95.08612	65.7
97.06547	14.2
97.10185	10.1
98.98482	8.7
99.08104	4.4
99.11778	3.0
105.07047	47.3
107.04979	12.8
107.08607	44.5
109.02942	3.6
109.06550	15.6
109.10168	50.1
109.10846	4.4
111.04427	5.2
111.08117	10.1
113.05983	4.1
115.05430	3.4
117.07041	16.0
119.08598	28.3
121.06506	20.1
121.10139	20.3
123.04470	4.5
123.08074	11.3
123.11718	14.9
123.72543	2.9
128.06256	5.1
129.07059	11.0
131.08557	21.4
133.06471	13.9
133.10138	48.4
135.08064	15.1
135.11714	9.7
137.09633	6.0
139.07567	3.8
139.11224	3.7
142.07726	2.6
143.08586	11.6
145.10167	12.7
147.08064	13.5
147.11728	9.4
149.09624	20.0
149.13258	3.3
151.11215	26.1
155.01073	5.3
155.08563	3.4
157.10168	8.2
159.08058	5.6
159.11740	9.3
161.09641	19.9
161.13264	4.6
165.12798	2.9
169.10147	3.5
169.12311	6.7
171.11697	11.2
171.34740	2.8
175.11206	13.6
177.09151	10.1
185.13280	2.9
187.11127	3.9
189.12837	6.0
193.12256	6.0
207.13907	3.5
211.13300	17.5
215.12840	6.9
227.18076	4.9
239.23805	7.7
245.19022	24.0
251.12889	8.9
253.14359	49.8
255.17534	8.0
263.20139	14.3
273.18518	87.7
291.19580	85.4
309.20569	13.3
313.27377	100.0
347.22171	21.9
365.23218	54.6
366.23663	3.0
383.14630	5.1
383.24313	4.2
507.36884	6.5
509.38699	14.9
534.35828	3.1
561.25281	4.9
585.44775	5.3
603.46295	79.1
621.26843	10.7
621.47083	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	621.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
54.36696	1.6
55.01865	8.3
55.05270	2.5
55.05514	34.7
57.03442	14.5
57.07080	43.7
59.05005	1.9
63.55625	1.6
65.03943	3.3
67.05509	55.0
69.03423	7.8
69.07069	29.9
71.04988	6.3
71.08278	2.9
71.08640	26.7
71.16142	2.2
75.58754	2.2
79.05063	3.4
79.05496	39.0
81.03416	6.5
81.06589	3.5
81.07063	56.7
83.04974	6.5
83.08218	2.3
83.08631	24.8
85.02948	1.8
85.06531	2.8
85.10177	15.1
89.06051	1.9
91.05489	34.8
93.07052	27.9
95.04993	15.1
95.08617	41.2
97.02896	7.2
97.06552	10.0
97.10191	22.9
98.98463	5.9
99.08109	4.0
100.21988	1.7
105.07038	19.9
107.04949	7.7
107.08602	20.8
109.06532	12.2
109.10170	23.5
111.04491	2.7
111.08107	5.9
115.05460	2.7
117.07014	10.3
119.08583	23.2
121.06516	6.2
121.10120	8.9
123.08083	8.8
123.11697	6.5
123.18089	1.8
125.09628	15.2
129.06987	6.1
131.08583	15.0
133.06517	5.4
133.10121	8.4
135.08080	10.5
135.11716	4.5
137.09608	6.4
143.08575	5.9
145.06537	2.2
145.10201	9.8
147.08063	13.3
147.11652	2.5
151.11240	2.9
153.09048	2.9
155.10602	2.5
157.10162	3.0
159.11682	6.2
161.09660	6.9
163.11151	3.2
164.38687	2.0
165.09128	3.7
169.02611	2.1
171.10197	2.6
171.11626	3.2
173.13234	1.8
175.11218	3.9
187.11221	2.9
189.11195	10.3
191.10609	2.5
193.12216	2.2
211.13304	8.0
217.15865	3.0
223.13312	10.6
227.12807	13.9
227.17900	1.9
237.16422	2.5
239.23688	3.8
245.19014	4.7
249.14960	1.8
253.14226	3.5
255.17490	4.2
273.18515	37.3
291.19553	100.0
309.20630	2.8
313.27383	68.0
347.22177	7.4
365.23276	36.4
383.14609	2.6
467.36929	2.6
509.40213	5.6
561.24817	5.8
603.46179	58.7
604.46558	2.5
621.26489	7.7
621.47241	10.2
622.27521	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	621.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01864	6.6
55.05500	7.9
57.03442	20.2
57.07077	19.6
61.46738	2.1
65.03939	3.7
67.05510	45.5
69.07059	9.7
69.19854	23.5
71.04986	3.2
71.08643	17.1
79.05128	2.6
79.05499	23.2
81.07060	28.9
83.08619	12.1
85.06528	10.5
85.10172	7.8
86.46897	2.2
91.05074	2.2
91.05496	24.4
93.07058	23.4
94.66347	2.2
95.04974	44.0
95.08610	22.5
97.06499	3.6
97.10184	3.0
105.07043	15.7
107.04951	7.1
107.08597	13.7
109.06522	50.6
109.10164	7.5
111.08073	4.0
113.06012	27.5
117.07018	9.3
119.08569	11.5
121.06534	4.2
121.10089	5.2
128.06239	2.7
129.06987	8.1
131.08575	10.7
133.10129	7.5
134.10016	2.5
135.08044	31.0
135.11722	5.7
143.08543	7.3
145.10124	10.1
146.06956	2.3
147.08087	5.5
147.11702	3.0
149.13266	5.0
157.10167	3.0
159.11656	4.4
161.09622	6.9
163.11150	3.9
165.63173	2.2
171.11728	4.8
173.13171	3.0
177.12842	2.9
195.13853	2.8
199.14865	3.4
216.13766	2.3
217.15968	12.4
222.13165	2.1
230.72066	2.1
237.16290	2.8
243.11557	2.1
245.18858	2.1
253.14244	3.1
255.17383	2.9
273.18494	39.7
291.19556	100.0
313.27374	44.6
347.22079	6.9
365.23190	12.2
499.38815	2.5
585.44763	3.5
592.32727	2.7
600.53986	2.5
603.46338	29.5
612.78418	2.3
621.27032	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	621.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46162	1.0
52.64152	0.9
53.03942	4.2
55.01872	12.4
55.05513	34.2
57.03443	10.5
57.07079	39.5
59.04993	1.4
65.03933	3.4
67.05506	48.3
69.02724	1.1
69.03056	1.4
69.03415	4.2
69.07070	18.8
71.04985	3.1
71.08634	26.3
76.90986	1.1
79.05492	39.2
81.03416	9.4
81.07058	100.0
82.51336	1.0
83.04542	1.8
83.04984	15.7
83.08620	20.8
85.02894	4.5
85.06537	2.3
85.10182	15.9
89.06024	1.2
90.68577	1.0
90.82760	0.9
91.05484	23.7
93.07046	29.0
93.07637	1.5
94.04188	1.5
95.04969	18.7
95.08610	37.0
97.02885	1.3
97.06534	8.5
97.10166	22.3
98.98451	2.0
99.04468	3.4
99.08095	5.5
103.05479	1.0
105.04530	1.5
105.07034	18.3
107.04952	8.5
107.08592	19.3
109.06501	10.0
109.10162	19.3
111.04446	16.6
111.08078	7.1
113.00048	1.9
113.06013	2.5
117.07018	10.2
119.08588	20.5
119.09377	1.9
121.06507	8.9
121.10144	9.3
123.04407	1.7
123.08071	26.9
123.11693	5.4
125.09645	15.6
129.07014	5.6
131.08575	11.5
133.06505	3.1
133.10149	6.5
133.61192	1.0
135.08081	8.1
135.11723	10.6
137.09648	6.1
139.11119	1.5
141.06990	1.2
142.07761	1.2
143.08549	5.1
145.06459	1.9
145.10147	13.4
147.08055	8.9
147.11714	4.5
149.09636	6.8
149.13324	1.1
153.09114	3.6
153.12776	8.5
155.01056	2.2
155.08557	2.6
157.10155	5.9
159.11711	4.8
161.09654	4.4
161.13271	1.7
163.11195	18.9
165.09113	5.4
165.12727	1.5
169.10153	3.0
169.31544	1.0
171.10178	3.2
171.11707	4.0
173.09610	3.1
173.13170	1.2
175.11189	3.8
177.12701	2.5
181.10284	1.3
181.12216	9.3
183.11700	2.2
185.13239	1.9
187.11128	1.5
189.11232	25.1
189.12733	1.0
191.10681	9.2
191.14117	1.0
193.12267	4.1
195.11641	1.0
199.11215	1.5
205.12181	1.5
209.11731	1.3
211.11530	1.2
211.13342	4.5
217.15939	1.8
221.15269	1.1
223.13280	9.9
227.12793	19.0
227.17854	2.7
237.16628	1.8
239.23764	4.3
245.19035	2.5
255.17537	4.1
263.20178	2.7
273.18500	27.9
283.15439	2.5
283.23489	1.0
291.19550	74.5
292.20111	2.0
293.21027	1.3
309.20679	4.7
309.27902	1.7
311.25864	1.9
313.27393	50.5
347.22095	4.4
365.23212	24.2
365.27432	1.9
446.20935	1.5
447.21561	2.2
453.34021	1.1
459.21829	2.3
475.21262	4.6
483.36591	2.7
509.36163	6.2
535.23102	1.4
539.39679	1.5
547.23004	3.0
561.24982	7.8
562.25885	1.7
563.28381	2.2
589.24664	1.1
603.46259	19.2
604.45990	1.4
610.30249	1.2
621.27069	19.9
621.36060	2.8
621.47119	22.8
622.28040	9.1
622.47986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
53.16938	1.4
55.01871	11.4
55.05513	33.8
57.03437	9.7
57.06800	1.7
57.07081	38.6
65.03951	3.3
67.05509	52.4
68.11431	1.2
69.03423	3.8
69.06729	1.6
69.07071	19.4
69.23738	11.3
71.04998	2.4
71.08639	28.9
72.11304	1.6
79.05495	40.6
80.74582	1.4
81.03412	12.0
81.07063	100.0
83.04986	18.1
83.08624	19.5
85.02926	6.3
85.06518	2.1
85.10181	15.0
91.05487	23.3
93.07047	32.0
95.04971	18.0
95.08614	42.1
97.06535	10.2
97.10178	18.7
99.04452	3.7
99.08091	4.1
99.11745	1.5
104.77462	1.4
105.04563	1.5
105.07040	22.6
107.04964	8.8
107.06980	1.3
107.08602	19.9
109.06532	9.0
109.10175	20.9
111.04463	15.6
111.08105	8.8
113.00024	1.6
113.50070	1.4
117.07027	11.1
119.08591	21.8
121.06548	7.4
121.10139	14.7
123.08081	29.4
123.11704	3.8
125.06026	2.7
125.09628	19.0
129.06975	8.3
131.08598	15.1
133.06520	3.4
133.10147	8.5
135.08032	6.4
135.11699	9.7
137.09593	5.0
137.13239	2.3
141.06995	1.9
142.07806	1.9
143.08554	7.6
143.10754	1.6
145.10141	14.8
147.08064	10.7
147.11732	6.8
149.09590	7.1
149.13293	1.7
153.09125	4.9
153.12772	8.1
155.08540	3.1
157.10201	6.2
159.11728	4.2
161.09602	5.3
161.13258	2.5
163.11194	16.4
165.09114	5.2
167.08614	1.7
169.10161	3.1
171.10242	2.0
171.11716	4.2
173.09642	4.0
173.13275	1.7
175.11208	3.7
177.12781	2.2
181.10104	1.9
181.12257	10.7
185.13275	2.8
189.11234	22.2
189.12834	1.2
191.10654	9.1
193.10339	1.3
193.12227	3.5
195.11702	1.4
197.13251	3.5
209.11656	3.0
209.13449	1.6
211.13274	2.9
223.13199	8.0
227.12779	19.5
227.17900	2.6
239.23689	4.0
245.18982	2.8
249.14632	1.6
255.17523	3.3
273.18521	29.8
279.11066	1.3
283.15393	3.7
289.18024	3.2
291.19568	74.7
309.20575	5.1
313.27365	53.9
332.60422	1.9
347.22220	3.2
365.23196	22.5
431.18469	1.5
446.51019	1.3
483.36722	2.8
509.36157	5.0
603.46350	16.3
621.26855	6.4
621.48389	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	621.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01870	9.3
55.05513	11.5
57.03441	25.5
57.07079	23.5
65.03932	4.3
67.05510	49.2
69.07072	11.3
69.58945	8.4
71.04994	3.1
71.08634	16.3
79.05502	26.4
79.05918	1.0
81.03400	2.1
81.07060	33.2
83.05006	3.1
83.08637	7.5
85.06544	12.0
85.10202	6.8
91.05488	23.0
93.07047	20.7
95.04368	2.9
95.04975	50.2
95.08612	21.2
97.06553	4.0
97.10183	5.2
102.53037	1.4
105.07035	17.3
105.79364	1.3
107.04959	10.3
107.08611	14.9
109.06525	65.6
109.10159	7.9
111.08067	3.2
113.00002	1.9
113.06020	31.6
115.05477	1.3
116.02653	1.2
117.07023	13.0
119.08577	9.8
121.06537	4.9
121.10161	4.5
123.08079	3.1
128.06250	2.9
129.06987	6.7
131.08594	16.4
133.06482	4.0
133.10141	7.6
135.08060	46.7
135.11679	7.2
137.06024	1.9
143.08533	8.9
145.06544	1.5
145.10115	9.3
146.48547	1.5
147.08083	5.7
147.11694	2.4
149.09610	6.0
149.13225	2.1
155.08574	1.8
157.10144	6.4
159.08081	3.4
159.11700	5.9
161.09653	7.1
161.13326	1.9
163.11160	3.9
171.11716	3.9
173.13260	4.1
175.11217	2.6
177.12778	2.7
181.10178	1.7
183.11688	2.2
185.13264	2.0
195.13806	3.1
197.13248	2.0
199.14803	4.7
201.12839	2.3
217.15872	14.0
237.16391	2.2
239.23827	1.6
246.28030	1.4
255.17474	2.8
257.24954	1.6
273.18542	39.4
291.19556	100.0
307.24567	1.6
313.27368	46.7
347.22110	5.6
365.23215	9.8
389.17346	1.8
403.19012	2.5
419.22610	1.9
431.18500	3.6
445.20413	1.9
446.20883	2.6
447.21783	7.6
474.20428	4.2
475.21411	7.2
487.20435	1.8
509.36133	3.5
533.25732	7.0
535.23438	3.2
561.24945	16.7
562.25513	3.3
585.44855	5.5
593.27716	2.0
603.46252	30.8
621.27063	41.7
622.27820	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	621.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01878	7.4
55.05265	1.4
55.05514	13.4
57.03442	22.3
57.07082	22.0
65.03941	4.9
67.05508	49.2
69.03418	2.3
69.07069	11.6
69.56817	6.3
71.04993	1.7
71.08643	14.2
79.05495	27.8
81.03403	1.7
81.06595	1.6
81.07061	31.2
83.04966	2.4
83.08620	8.9
85.06555	11.1
85.10189	7.5
89.06006	1.7
90.12727	0.9
91.04911	1.2
91.05487	23.3
93.07045	21.4
95.04376	2.3
95.04973	46.2
95.08612	19.6
97.06538	3.2
97.10168	4.1
105.07045	15.7
107.04960	8.3
107.08607	14.2
109.06522	60.1
109.10152	9.5
111.08058	1.5
113.06013	27.5
115.05476	2.3
117.07029	10.1
117.15457	1.0
119.08595	8.8
121.06495	4.6
121.10130	6.2
122.24074	0.9
123.08066	3.1
123.11732	2.7
125.09673	1.2
128.06207	3.7
129.07030	5.7
130.07814	1.2
131.08580	13.7
133.06517	2.9
133.10162	8.2
135.08060	41.7
135.11668	4.7
137.09590	1.6
141.06963	1.9
143.08546	7.4
145.06525	1.9
145.10132	9.3
147.08051	6.1
147.11653	3.2
149.09639	5.7
149.13257	2.1
151.11140	1.0
155.08546	1.6
157.10130	6.5
159.08025	2.3
159.11681	3.5
161.09630	9.3
163.07455	1.3
163.11194	1.8
165.09090	1.9
169.10144	2.6
171.11650	3.4
173.13263	1.6
175.11139	3.0
176.99138	1.0
177.12692	3.3
183.11772	1.7
185.13303	2.0
187.11166	1.4
189.12737	1.1
195.11639	1.9
195.13719	2.1
199.14774	4.0
211.13290	2.0
217.15895	13.5
227.12714	1.4
227.17918	1.9
233.15315	2.3
239.23578	1.6
245.18990	2.8
245.59216	1.1
255.17427	2.4
273.18512	37.0
274.18634	1.1
278.48187	1.1
291.19562	100.0
309.20502	1.4
313.27380	48.2
347.22226	5.4
365.23251	10.2
466.36966	1.2
509.36163	1.2
545.41571	1.6
585.45557	6.9
603.46167	33.6
604.46936	1.2
621.26691	2.9
621.46851	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.8
55.01882	6.7
55.05510	18.2
57.03448	8.7
57.07072	1.6
59.19792	1.4
64.92616	1.1
65.03947	4.0
67.05506	30.6
67.96153	1.2
69.03426	15.0
69.07068	8.6
70.17394	2.7
70.17804	4.4
71.01350	2.0
71.04997	6.2
71.16114	1.3
79.05492	32.5
81.03421	100.0
81.07056	31.7
83.04985	15.9
83.08619	16.3
85.02906	18.1
85.06564	1.9
91.05482	36.3
93.07050	28.2
95.04971	34.4
95.08620	12.9
97.02885	14.2
97.06550	3.4
97.10175	9.7
99.04460	4.5
99.08138	2.1
101.02380	1.6
101.39083	1.3
103.05489	2.3
105.04535	2.3
105.07035	29.7
107.04954	10.5
107.08595	14.1
109.02882	22.7
109.06509	7.3
109.10172	5.7
111.04430	8.5
111.08076	7.6
113.05973	2.2
115.05394	3.2
117.07021	6.7
119.08579	22.0
121.06522	9.8
121.10130	10.9
123.04458	7.8
123.08110	4.2
123.11654	2.8
125.02376	4.0
125.05995	1.7
125.09606	7.5
127.03899	9.3
128.06201	3.1
129.07002	14.6
131.04974	4.4
131.08559	13.3
132.86829	1.3
133.06503	7.8
133.10162	11.9
135.04407	1.3
135.08107	4.0
135.11726	3.6
137.05968	2.9
137.09641	2.5
139.03865	1.4
141.07010	2.4
142.07805	3.2
143.08600	4.6
145.06485	6.4
145.10126	6.9
147.04449	5.0
147.08087	6.3
147.11699	19.5
149.05992	2.5
149.09668	6.5
151.11148	1.3
155.08575	4.0
157.05002	1.2
157.06487	2.1
157.10101	10.5
159.08034	2.8
159.11681	2.2
161.06010	4.1
161.09650	2.1
163.11177	10.4
165.12805	5.5
169.10170	1.5
171.08136	3.2
171.11693	2.0
173.04500	5.4
173.05928	2.3
173.09607	2.6
173.13278	1.9
175.11156	13.0
177.12846	1.6
181.12244	2.9
183.11760	1.5
187.07539	1.5
189.05481	2.3
189.11244	4.3
189.12737	1.5
191.10715	5.9
193.10448	2.0
193.12254	34.9
195.11725	1.4
201.09184	1.5
205.12300	2.2
207.13828	1.4
209.11760	2.1
211.13289	35.3
217.15903	1.3
223.13213	1.6
227.12747	5.9
229.12303	1.4
231.13779	2.2
233.15385	1.9
235.13341	4.6
237.12885	2.4
244.93694	1.3
249.14934	2.9
255.13828	1.9
257.15536	1.7
259.13245	1.3
265.32901	1.4
267.15891	9.2
273.14880	7.9
283.13269	2.4
285.17102	6.2
289.14447	1.8
294.61060	1.4
301.14249	11.9
303.16141	2.0
306.76718	1.4
319.15448	6.4
337.16501	3.7
355.17435	2.0
367.22910	2.8
375.17844	4.5
385.23804	4.2
393.19125	4.0
403.24652	2.1
411.20142	3.5
459.27499	6.0
477.28232	5.5
495.29575	5.1
501.28854	1.8
567.29578	3.4
585.30408	7.7
603.31976	11.1
621.32672	52.4
622.33148	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.03935	1.1
55.01876	2.5
55.05518	2.2
57.03434	0.9
65.03934	0.6
66.42052	0.5
67.05177	0.6
67.05510	7.3
69.07076	2.6
71.51273	0.7
79.05500	4.5
81.03409	1.0
81.07053	5.5
83.05000	0.6
83.08607	1.2
85.06561	0.6
91.05477	5.1
93.07038	3.8
95.01350	0.5
95.04967	8.8
95.08614	3.4
97.06522	3.7
97.10151	0.7
105.07039	5.7
107.04955	2.1
107.08607	2.7
109.06539	2.7
109.10181	1.1
111.08070	0.6
115.05471	0.7
117.07001	2.4
119.08577	3.6
121.06532	0.6
121.10157	1.4
123.08103	0.8
125.09622	0.6
128.06259	0.5
129.07030	1.7
131.08548	3.3
132.08086	0.5
133.06511	0.7
133.10136	2.3
135.08049	0.6
135.11749	0.9
137.09683	0.4
143.08577	1.2
145.06500	0.5
145.10118	3.0
147.08089	0.9
147.11696	1.7
149.09683	0.6
149.13312	0.6
155.08554	0.6
157.10202	0.8
159.08043	0.9
159.11710	1.9
161.09700	0.9
163.11229	1.1
167.08549	0.5
169.10188	1.5
171.11681	0.9
173.09633	0.6
175.11200	0.5
177.12813	0.5
181.10164	0.7
183.11713	0.9
185.09590	0.4
185.13329	0.8
187.11214	0.9
195.09148	0.5
195.11766	0.9
195.13779	0.4
197.13211	0.5
199.15034	0.4
207.11792	0.4
209.10817	0.5
209.13330	0.4
214.02257	0.4
221.10834	0.5
227.12775	0.4
237.16411	0.4
239.17987	0.4
245.19159	0.4
255.17441	0.6
257.19122	0.8
273.18567	4.1
275.20032	3.8
291.19534	1.8
329.21072	1.1
337.24838	0.4
360.13089	0.4
374.15759	0.6
375.16193	1.1
387.16455	0.6
388.17194	1.6
389.17529	3.5
390.18704	1.8
391.19290	0.9
401.17844	1.2
402.13947	0.6
402.18689	2.0
403.14804	0.4
403.19531	4.5
404.20108	2.5
405.20706	3.3
415.19589	0.6
416.16275	1.5
416.20746	0.8
417.16245	4.7
417.21246	2.2
418.17786	1.3
418.22324	0.6
419.22388	8.4
420.22754	0.9
429.16772	0.8
430.17844	1.4
431.18274	7.8
431.23465	0.5
432.19272	3.1
433.20172	2.4
443.18701	0.6
444.19778	0.5
445.20087	6.9
446.21036	7.4
447.21802	10.6
448.22614	0.8
458.21075	0.6
459.17355	1.1
459.22000	2.3
460.18774	1.2
461.19849	1.6
473.20068	1.8
474.20422	7.5
475.21307	8.8
478.23413	0.5
487.21481	3.6
488.22180	1.1
491.21365	0.8
501.22852	1.8
503.20459	0.5
505.25659	1.4
517.22095	0.7
519.20111	0.6
529.22455	1.2
533.25537	17.3
546.22803	0.8
561.25000	24.1
562.25629	1.0
589.24762	1.0
593.27570	4.7
603.40692	0.6
621.27087	100.0
621.41553	5.9
622.27136	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05529	2.2
55.72847	0.4
56.73341	0.5
57.03425	0.9
57.07080	2.3
58.94020	0.5
59.99902	0.5
67.05506	4.6
69.07069	1.8
69.17520	3.6
69.17935	1.2
71.08637	1.1
79.05496	2.5
79.32729	0.4
81.07059	4.1
83.04951	0.5
83.08617	0.9
85.06638	0.4
85.10190	0.8
91.05472	1.9
92.80077	0.5
93.07043	2.0
95.04991	1.3
95.08612	2.4
97.06535	0.7
97.10147	0.6
98.98470	2.2
105.07034	1.5
107.08627	0.9
109.06499	0.7
109.10182	1.4
117.07062	0.5
119.08572	1.6
121.10187	0.8
123.08102	0.6
125.09620	0.6
129.07108	0.5
131.08611	1.0
133.10112	0.9
147.11691	0.8
148.59109	0.4
149.09541	0.5
155.00998	0.9
173.11838	0.5
173.13394	0.5
195.09148	0.5
211.13312	3.8
239.15135	0.6
266.24139	0.4
273.18506	1.2
291.19601	1.2
309.11182	0.5
313.27515	2.0
365.13947	0.6
373.14600	0.8
375.16113	1.1
383.14688	1.3
387.16342	0.9
388.17065	1.2
389.17542	2.9
390.18268	0.6
391.19043	0.9
400.18292	0.5
401.17694	1.4
402.18604	1.7
403.19382	3.8
404.19876	2.5
405.20856	1.4
415.19568	1.1
416.20282	0.7
417.17004	2.0
417.21875	2.6
418.21857	0.8
419.22427	5.0
420.23230	0.8
429.21301	0.6
430.22235	0.6
431.17807	3.3
431.23083	1.7
432.19299	1.2
445.20663	3.6
446.21234	3.3
447.21921	5.7
459.18170	2.9
459.22818	1.1
460.18454	0.7
461.19449	2.6
473.19174	1.4
473.24469	0.7
474.20468	9.4
475.21304	15.4
476.22086	0.9
487.21460	3.6
488.22113	1.4
491.25073	0.6
501.22928	2.7
502.23764	1.1
505.26105	1.4
509.36371	1.0
518.23077	0.7
529.23291	0.6
533.25629	7.5
561.25018	30.5
562.25305	1.7
589.25073	1.3
593.27753	1.3
603.45654	0.9
621.27130	100.0
622.27319	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.6
57.03375	1.1
57.07004	1.3
57.07263	0.5
57.59605	0.4
60.19605	0.4
64.59545	0.4
67.05424	2.2
68.23217	0.4
68.33659	0.4
69.07014	0.7
71.08569	0.4
79.05408	1.5
79.05795	0.4
81.06969	1.7
83.08549	0.7
85.06467	0.6
85.10131	0.5
85.28114	0.4
88.78673	0.4
91.05396	1.1
93.06950	1.2
95.04884	1.8
95.08514	1.3
98.20730	1.1
107.08517	0.9
109.06548	2.4
109.10104	0.6
113.05936	1.3
121.10060	0.5
131.08466	0.8
133.10043	0.5
135.08052	2.9
143.08470	0.8
165.45079	0.4
176.89084	0.4
207.09106	0.6
208.09885	0.5
209.10635	0.7
217.15816	0.9
229.63123	0.5
272.11746	0.5
273.18408	1.9
291.19577	3.9
312.15048	0.6
313.27325	2.2
373.14502	0.9
374.15637	1.0
375.16006	1.8
376.16962	0.6
386.16287	0.5
387.16281	1.3
388.16992	2.3
389.13046	0.7
389.17642	6.2
390.18665	2.3
391.19012	0.7
401.17999	2.1
402.14456	1.5
402.19080	2.3
403.19476	8.6
404.20041	4.3
405.20728	2.7
414.18903	0.6
415.19131	1.9
416.16245	2.1
416.20529	1.4
417.16080	5.4
417.21021	3.9
418.17377	1.4
418.21585	1.7
419.22375	12.2
420.22745	0.7
429.16495	0.7
429.21384	0.9
430.17282	1.9
431.18195	11.0
431.23520	0.9
432.18661	3.5
433.20105	2.3
443.18567	1.4
444.19904	2.0
445.20200	11.1
445.29517	0.5
446.20972	9.6
447.15585	0.9
447.21780	16.0
448.22311	0.9
458.20996	0.6
459.17609	2.3
459.22052	3.1
460.18323	0.9
460.23166	0.7
461.19394	1.2
463.21249	0.9
470.67709	0.5
473.19366	1.7
473.24164	1.3
474.20459	16.7
475.21350	21.2
476.21750	0.8
478.22845	0.6
487.21271	6.2
488.22125	1.6
491.20465	0.9
501.23010	3.4
502.23987	0.6
503.20972	0.7
505.25745	1.9
517.21844	0.8
518.22931	1.2
519.23187	0.6
520.25348	0.5
529.22180	1.1
533.25574	15.7
546.22333	1.2
561.25018	100.0
562.25208	4.7
589.24420	2.1
593.27539	4.8
603.46021	1.2
621.27124	98.9
622.27405	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
66.47398	0.5
67.25934	0.5
70.07509	1.1
70.07903	1.3
82.23151	0.7
83.64574	0.5
86.79274	0.5
94.06554	0.6
117.18967	0.5
123.02528	0.6
260.12094	0.6
360.14240	0.6
373.14325	0.8
375.16177	1.8
386.58661	0.6
388.16901	1.3
389.17764	3.5
390.18512	1.3
391.19287	0.8
401.17932	1.0
402.18460	1.6
403.14734	0.7
403.19656	4.8
404.19940	3.4
405.20547	3.0
415.19522	0.9
416.15585	0.7
416.20340	1.3
417.16168	4.0
417.21133	2.7
418.17606	1.1
418.22351	0.9
419.22507	7.9
429.21323	0.8
430.22256	0.8
431.18024	7.3
432.19681	2.2
433.20441	2.2
443.18948	1.0
444.19589	1.3
445.20294	6.4
446.21033	7.3
447.21878	11.2
458.20856	0.7
459.21753	2.5
460.18970	0.7
461.19803	1.6
463.21725	0.7
473.23773	1.1
474.20355	7.0
475.21213	8.1
487.21576	4.1
488.21964	1.3
491.20309	1.2
501.22775	1.9
505.26544	0.8
519.20465	0.8
533.25568	17.2
535.24017	0.6
561.25018	23.7
562.24969	1.4
589.25000	1.0
593.27692	4.3
621.27118	100.0
622.27570	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	620.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01867	6.4
55.05515	59.7
56.04971	2.1
57.03441	3.8
63.69434	2.1
67.05178	2.6
67.05511	31.4
68.52663	2.0
69.03423	12.0
69.07068	12.1
69.20116	19.8
75.07254	2.4
79.05507	27.6
81.03418	5.3
81.07068	24.1
83.04981	7.9
83.08154	2.7
83.08629	38.9
91.05479	9.3
91.70673	2.1
93.07053	14.5
95.04968	2.4
95.08607	6.2
97.06541	2.9
97.10182	81.1
105.07015	5.3
107.08604	30.5
109.10137	8.0
111.04475	2.3
111.41209	2.0
117.07043	5.5
119.08578	4.3
125.09647	85.5
133.10133	3.0
135.08018	7.2
143.10666	2.6
150.58279	1.8
153.09134	26.7
171.10149	5.8
189.11256	45.7
193.41650	2.0
227.12813	100.0
245.13898	8.1
343.80026	2.6
379.21146	8.5
385.19794	2.2
392.39880	2.1
397.22272	59.2
398.23981	2.1
415.23328	81.2
519.04730	2.1
549.30621	12.8
567.31665	24.3
585.32806	27.5
620.34485	2.2
621.33978	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	620.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01873	1.1
55.05511	8.4
57.03435	6.6
59.05006	2.2
61.02922	3.7
61.76121	0.9
65.03938	1.6
67.05508	70.6
69.07074	7.6
70.56346	1.5
70.56717	2.7
71.04983	2.9
73.02908	1.5
75.58009	0.9
79.05505	15.1
81.03403	3.8
81.06593	2.1
81.07060	37.8
83.04977	3.8
83.08636	9.2
85.02898	3.2
85.06540	3.2
90.31348	1.0
91.05490	12.0
93.07054	24.6
95.04966	2.8
95.08624	9.5
97.02879	2.4
97.06522	4.0
99.08084	1.7
105.07017	3.8
107.07961	1.4
107.08607	11.7
109.10164	47.3
111.08060	4.3
117.07024	3.4
119.08589	4.7
121.10132	8.3
129.06981	1.2
131.08560	4.6
133.10121	3.9
135.08041	1.1
135.11656	4.7
137.09590	1.9
137.40477	1.1
139.11203	1.0
145.10152	1.1
149.02356	1.2
149.13268	13.8
155.10640	3.8
159.11710	5.5
173.11748	11.4
177.12752	2.7
195.13823	4.4
213.14766	1.1
227.12843	1.6
229.14369	37.5
237.07768	1.2
239.14456	1.2
269.17511	34.7
423.27451	100.0
424.27835	2.6
620.35834	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	619.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67424	3.2
51.02378	4.2
53.03943	10.1
54.26172	3.0
55.01872	16.0
55.05513	36.5
56.69187	3.4
57.03428	11.4
65.03942	6.4
67.05506	83.8
69.03424	11.8
69.07073	15.0
69.23464	37.7
71.05000	48.6
79.05499	67.8
81.03424	42.5
81.07061	100.0
83.05004	19.3
83.08620	13.9
85.06549	13.2
91.05484	74.1
93.07054	56.4
95.04980	64.4
95.08615	26.9
97.02889	8.9
97.06554	13.6
97.10202	10.9
99.08154	4.0
103.05482	7.4
105.07036	46.5
107.04954	18.7
107.08620	30.3
109.02877	12.8
109.06555	6.5
109.10161	12.1
111.04459	10.5
111.08101	5.1
115.05482	6.3
117.07050	21.8
119.04958	14.3
119.08609	19.1
121.02864	8.5
121.06503	16.5
121.10104	17.0
121.70200	3.6
123.04456	9.1
123.08031	5.1
123.11703	8.3
125.09622	5.8
127.03948	4.8
128.06262	5.9
129.06995	17.5
131.04950	13.9
131.08578	16.9
133.06526	13.9
133.10168	23.1
135.08035	7.4
135.11691	9.6
137.02341	10.6
139.03894	6.5
141.06947	4.8
143.08571	9.6
145.06497	21.0
145.10164	14.4
147.04407	34.8
147.08119	6.6
147.11687	19.1
149.06009	8.0
149.09636	6.0
149.13286	10.2
151.11243	7.2
153.06891	5.4
155.08595	11.1
157.06480	5.0
157.10120	8.2
159.08026	6.2
159.11703	9.7
160.05229	4.2
161.05986	27.8
161.09595	10.4
162.69395	3.9
163.11122	7.5
165.12820	6.0
169.10052	6.5
171.04492	3.9
171.08144	5.4
171.11642	6.0
173.05980	26.3
173.09593	5.7
174.06802	9.1
175.07623	7.4
177.12756	4.6
187.07555	12.5
189.05476	30.5
195.08064	4.0
197.15450	7.5
201.09097	4.1
207.13780	8.4
211.11295	4.0
225.14880	12.0
248.75977	4.1
255.13788	9.1
269.17578	7.4
273.14893	21.1
283.13367	9.7
285.14847	14.0
289.14325	8.7
301.14374	91.2
301.20044	6.1
303.15903	7.9
319.15469	6.8
341.17654	4.0
357.17041	9.0
375.17795	10.6
393.19263	8.3
405.86258	4.1
428.07816	4.1
475.30530	4.2
533.16089	4.3
543.29523	27.5
569.30798	13.0
587.32031	11.7
589.33484	14.5
601.33875	42.7
605.12976	3.8
619.34808	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.6
55.01870	5.2
55.05270	3.6
55.05517	48.9
57.07081	6.7
57.55980	2.3
59.05008	3.5
65.03939	4.1
67.05176	3.0
67.05508	34.4
69.03429	12.8
69.07079	19.0
71.04990	9.1
71.51416	3.0
71.51794	2.3
79.05064	1.9
79.05495	44.0
81.03400	4.4
81.06586	3.6
81.07060	59.0
83.04986	20.6
83.08624	58.5
85.06558	6.4
87.04465	3.8
91.05488	62.5
93.07047	72.2
95.04986	30.6
95.08617	30.3
97.06543	19.9
99.04462	3.2
103.05486	5.0
105.04513	3.9
105.07037	100.0
107.04940	8.6
107.08604	72.0
108.05724	2.3
109.06528	19.9
109.10165	24.1
111.08102	9.9
113.09654	7.5
115.05471	10.3
116.06243	3.3
117.07025	23.5
117.82025	2.5
118.17504	2.2
119.08596	81.2
120.09396	3.7
121.06528	13.0
121.10152	48.9
123.08064	19.2
123.11694	5.9
125.09646	23.3
128.06215	15.3
129.06996	22.2
130.07784	11.5
131.08583	53.8
132.09364	5.8
133.06499	7.5
133.10138	43.1
135.08058	14.8
135.11674	8.1
137.09624	8.3
139.11194	12.3
141.06985	12.6
142.07780	28.5
143.08583	52.6
144.09367	12.3
145.06508	6.2
145.09067	5.2
145.10138	76.9
145.11296	4.1
147.08044	16.7
147.11710	24.3
149.09628	14.7
149.13193	2.3
151.07523	3.0
151.11169	4.3
154.07773	8.2
155.08580	26.7
155.10612	11.1
156.09367	19.0
157.10138	60.5
158.10858	7.9
159.08069	16.0
159.11710	37.5
160.08829	10.3
160.12506	2.7
161.09608	14.8
161.13283	7.2
163.11183	5.6
165.06932	6.2
165.09138	3.9
165.51456	2.5
166.07854	4.2
167.08575	12.5
167.10686	20.8
168.09346	7.4
169.10168	35.2
170.10922	12.0
171.11673	38.2
172.08861	3.3
173.09633	9.4
173.13280	14.2
175.11151	13.0
175.14809	4.0
177.12700	3.1
178.85193	2.2
179.08617	13.7
179.14378	3.4
180.09325	5.9
181.10202	20.2
181.12230	26.0
182.10901	14.2
183.11716	28.4
183.13344	3.0
183.13889	2.0
183.51665	2.3
184.12529	4.3
185.09708	4.8
185.13237	18.9
186.14128	5.9
187.11200	7.4
187.14763	11.1
189.12723	6.3
191.14310	9.5
192.09360	4.8
193.10153	17.4
194.11029	10.9
195.11691	25.6
196.12488	7.9
197.13281	39.9
198.13969	6.3
199.11195	6.2
199.14821	14.0
201.12813	5.6
201.16402	2.7
203.14363	9.4
205.10188	4.8
206.10963	5.2
207.11697	19.6
207.13759	5.7
208.12492	8.0
208.14525	5.0
208.77660	2.5
209.13315	29.1
209.15205	3.2
210.14110	3.8
211.11154	3.4
211.14864	24.0
212.12160	2.7
212.15575	2.9
213.12750	7.7
213.16364	6.5
215.14346	18.8
217.10315	3.1
217.16026	3.3
219.11691	8.1
219.17448	3.1
220.12505	8.2
221.13268	15.8
221.15393	22.0
223.14792	15.2
224.15677	3.1
225.12762	4.2
225.14442	12.6
225.16510	7.8
227.14342	8.1
230.10771	2.9
231.11723	5.4
231.17352	4.1
232.12486	5.9
233.13260	6.6
233.15379	42.5
234.13995	4.7
234.16139	4.6
235.14842	14.2
237.12804	3.4
237.16660	11.6
237.18468	2.6
238.17493	3.0
239.14412	3.8
241.15875	5.2
243.11496	3.0
243.17389	2.8
245.13239	6.2
246.14093	4.8
246.16273	4.5
247.14748	7.3
247.16994	5.4
249.16449	5.7
251.18025	6.4
253.15863	3.6
255.17462	28.8
258.13962	3.1
259.14795	3.2
261.16315	7.3
263.17984	8.7
265.19516	5.5
267.17377	4.7
268.18274	4.4
269.19031	6.1
270.19742	7.2
271.17172	3.0
271.20673	4.6
273.18594	3.0
275.17950	7.1
277.19424	4.0
281.19049	5.4
283.20563	4.3
285.18585	4.7
286.19302	4.5
287.20151	3.5
289.19513	2.8
294.19678	3.9
295.20712	3.9
296.21234	3.2
298.19293	3.3
299.20218	5.2
303.21109	2.9
311.19995	3.9
323.23520	2.5
331.24182	5.3
335.23230	2.7
337.25388	6.3
347.23706	5.2
349.25195	3.6
360.24387	2.4
361.25104	2.5
365.24802	8.0
367.26251	7.3
379.25952	3.9
383.25854	10.3
399.26913	3.4
429.31619	4.1
457.31003	4.1
585.38129	3.5
600.41339	3.5
618.34741	3.8
618.42548	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	618.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01865	0.2
55.05515	0.3
57.03443	0.3
60.92614	0.3
61.84096	0.2
67.05493	1.1
69.07063	0.3
69.72620	0.9
70.06572	0.4
78.04705	1.4
79.05482	1.6
81.03417	0.7
81.07048	0.5
83.04988	0.4
83.08602	0.3
85.02889	0.3
85.80290	0.2
91.05476	1.2
91.45307	0.2
91.50476	0.2
93.07032	0.7
95.04961	0.6
95.08595	0.3
96.05797	0.3
97.02875	0.5
102.37376	0.2
103.05470	0.4
103.95168	0.2
105.07021	0.8
106.04177	0.9
107.02090	0.2
107.04971	1.7
107.08606	0.4
109.02847	0.3
109.10152	0.5
117.07047	0.3
119.08544	0.4
121.06523	1.3
122.03623	0.2
123.04430	3.4
124.05205	1.0
129.07004	0.5
131.04857	0.2
131.08569	0.4
133.06494	0.7
133.10158	0.3
134.03671	0.5
135.08127	0.3
137.05949	0.6
145.06488	0.4
149.05969	1.0
151.03880	0.9
151.04987	0.3
151.07504	0.4
152.04677	1.5
153.01775	0.2
153.05476	0.3
161.06039	1.7
161.09650	0.5
163.03972	0.3
163.07558	0.3
165.09129	0.4
167.07043	100.0
168.07352	0.9
174.03778	0.3
177.03203	0.3
177.09058	0.3
179.07045	0.3
181.08595	3.3
189.09142	1.4
191.07040	0.4
193.08566	4.0
207.10178	0.5
211.07576	0.4
211.09659	8.4
220.08917	0.2
221.12997	0.3
223.09587	0.3
230.15363	0.3
253.08600	0.3
257.11627	0.3
257.25211	0.2
285.11002	0.5
290.45078	0.3
315.12146	0.4
343.15311	0.4
361.16519	4.3
371.14954	0.4
373.17383	0.3
387.17926	0.3
429.21570	0.3
453.24442	0.5
553.24438	0.3
604.70270	0.3
618.31927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.05520	25.7
57.03428	11.2
57.07080	46.9
59.49278	3.0
65.03941	2.8
67.05510	64.2
69.07076	19.4
69.34946	24.2
71.04974	3.7
71.08639	47.5
78.04661	2.7
79.05506	41.7
81.07062	57.4
83.04980	2.8
83.08646	17.0
83.09039	3.0
85.06531	4.7
85.10188	20.8
87.04449	6.7
89.06047	2.9
91.05483	59.7
93.07047	48.0
95.04975	4.3
95.05639	2.9
95.08614	51.7
97.06522	5.4
97.10174	9.8
105.04539	3.4
105.06398	5.0
105.07043	58.9
107.08615	29.6
109.10172	20.1
111.11705	3.6
117.06994	14.9
119.08591	59.6
121.10150	24.8
123.11677	6.9
125.09524	3.7
128.96255	3.0
129.07007	13.0
131.08578	22.6
133.10139	46.3
135.11720	19.1
137.13245	3.9
143.08539	6.7
145.10133	21.2
146.58658	3.0
147.11714	53.6
149.13226	10.3
157.10155	9.0
159.11691	19.6
161.13246	31.1
163.14792	4.5
171.11710	15.9
173.13315	14.3
175.14818	16.0
177.12819	3.2
179.14256	7.6
185.13239	11.5
187.14941	4.4
199.14810	5.6
202.71248	2.7
231.21057	8.9
241.19504	43.2
259.20605	100.0
275.40063	4.0
277.21603	7.5
302.22983	2.9
315.23209	5.1
333.24255	56.1
341.30527	88.5
505.38736	7.3
599.50018	12.6
617.51709	22.8
646.65186	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	617.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01870	2.8
55.05514	22.8
55.95283	1.1
57.03441	11.7
57.07080	43.0
65.03942	4.0
67.05510	49.4
69.06726	2.3
69.07073	30.0
69.26093	8.5
69.26507	2.8
69.54942	1.2
71.05005	2.3
71.08635	30.1
74.14431	1.2
79.05498	39.5
81.03431	2.2
81.07061	58.5
83.04993	5.1
83.08620	21.0
85.06535	2.5
85.10191	15.9
87.04474	1.7
90.26323	1.2
91.04910	2.5
91.05486	51.2
93.07051	45.0
93.07642	2.3
95.04960	3.6
95.08616	43.2
97.06540	4.7
97.10175	14.1
98.69637	1.4
99.08092	4.7
105.04570	1.7
105.07037	52.3
107.08598	25.4
109.06506	2.5
109.10175	17.9
111.08092	1.9
111.11718	3.6
117.07034	12.7
119.08590	43.3
121.10146	20.5
123.08010	1.5
123.11716	7.1
125.09641	1.4
129.05536	2.2
129.07028	10.5
131.08571	21.4
133.10136	41.1
135.08078	1.8
135.11693	14.6
137.13287	1.7
143.08554	8.9
145.10138	17.8
147.11700	42.0
149.09644	3.1
149.13278	13.1
151.11198	1.8
151.14813	1.7
157.10136	9.7
159.11720	14.6
161.13275	36.9
163.11232	3.0
163.14821	5.1
169.10023	1.6
171.11664	14.1
173.13304	10.0
175.14845	15.2
177.12755	3.6
185.13261	10.0
187.14810	3.1
189.12706	2.0
189.16371	1.7
195.13826	2.6
197.13310	1.3
199.14835	5.5
213.16409	3.2
214.40608	1.4
215.17986	3.1
217.19565	2.9
229.79118	1.5
231.17366	1.6
231.21085	9.0
237.22234	2.5
241.19540	42.7
259.20590	100.0
267.26791	3.6
275.20145	1.6
277.21695	3.4
315.23209	5.5
320.06873	1.3
333.24252	45.4
341.30515	88.8
351.25262	2.3
487.97485	1.4
505.38959	31.9
599.50208	9.0
617.51605	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01875	3.9
61.02916	1.8
62.06096	4.2
65.03940	1.5
69.03442	3.7
71.00413	1.4
79.05515	3.8
81.03413	2.0
81.07042	2.0
85.02485	0.8
85.02917	6.9
87.98895	0.6
89.03925	1.1
91.05486	14.3
93.03416	1.0
93.07046	0.9
93.60008	0.6
95.04981	2.2
97.02893	2.9
102.54784	0.5
103.05469	5.4
105.03426	0.8
105.07034	30.5
106.04176	0.8
107.04951	3.4
109.02886	1.5
109.06496	1.8
111.04463	0.7
112.92783	0.6
113.35017	0.7
115.05463	5.8
118.04194	2.0
119.04952	17.5
121.06524	3.0
123.04454	1.8
125.05980	0.7
127.03952	1.7
131.04936	3.9
132.05696	3.2
133.02818	0.9
133.06503	33.2
135.04430	2.3
137.05986	19.2
139.03902	4.1
140.04724	1.5
143.05022	0.8
143.06007	3.3
145.06485	1.5
147.04393	7.2
148.05289	0.9
149.05978	5.4
151.04034	1.0
151.07568	2.5
153.05510	1.5
154.06221	2.2
160.05177	1.6
161.05992	82.3
163.03925	9.1
163.07553	1.1
165.05490	46.7
167.05643	1.4
167.07051	19.0
173.05984	2.5
177.05498	4.6
179.07019	5.6
180.07819	4.5
181.08582	2.9
182.09406	6.4
183.06554	11.7
184.07350	3.4
189.05544	0.8
191.07051	3.7
192.07822	11.0
193.08620	100.0
194.08940	0.7
195.06485	1.5
197.08087	2.2
206.93230	0.6
207.06512	1.0
209.08112	14.2
210.08878	11.7
211.09668	2.7
221.08076	2.2
270.62286	0.6
343.11835	1.2
363.14407	4.0
375.14426	4.2
393.15530	1.5
616.25433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
55.01867	1.4
55.19029	0.6
57.03424	2.5
61.02909	1.9
61.40329	0.5
62.06088	10.0
65.03935	1.4
65.35435	0.5
67.05492	1.3
69.03426	4.8
70.87758	1.0
70.88087	0.9
77.03912	0.8
79.05489	2.4
81.03410	2.9
81.07037	0.7
85.02906	10.2
89.03876	0.6
91.03960	0.6
91.05486	17.1
91.13088	0.6
93.07052	1.6
95.04986	1.2
97.02885	4.0
97.12335	0.5
103.05480	2.9
105.03368	1.1
105.07040	6.3
107.04961	4.8
108.05730	1.6
109.02848	2.7
109.06493	1.3
115.05466	0.7
117.07005	1.1
118.04151	1.1
119.04951	23.5
121.02892	0.6
121.06518	2.6
123.04438	2.7
123.08054	4.1
125.05981	1.7
127.03922	1.7
131.04922	1.2
133.02858	3.2
133.06496	6.0
135.04411	2.3
136.05157	3.3
137.05966	3.2
138.03123	0.9
139.03902	1.1
145.04950	1.4
145.06480	1.4
146.03641	1.8
147.04416	29.7
149.02348	5.2
149.05952	4.6
150.92819	0.6
151.03903	0.7
151.07549	22.2
153.05464	18.6
154.06299	4.9
157.90593	0.5
161.05942	4.1
163.03908	5.2
163.07507	1.7
164.04689	0.6
165.05522	5.8
165.09131	1.3
166.06195	0.9
167.07007	4.3
173.05977	3.5
175.03967	0.7
177.05487	9.8
178.06215	2.5
179.07040	100.0
180.07491	0.9
181.04967	2.3
181.08632	3.4
183.10153	2.8
189.09198	0.8
191.07027	2.0
193.04985	2.2
193.08543	1.3
195.06557	4.9
197.08105	50.1
198.08893	12.3
199.09669	4.1
203.07025	0.8
205.08604	2.1
207.06557	1.3
207.10127	1.4
209.08240	0.7
213.83481	0.7
219.06577	0.9
221.08055	0.7
223.09685	4.3
224.11345	1.3
235.09682	0.8
256.11847	1.5
327.10608	0.9
343.11938	0.8
357.13400	1.1
360.14105	1.2
363.14355	5.8
375.14401	4.3
393.15396	1.2
454.20752	4.0
522.72260	0.7
616.16711	0.7
616.26038	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	616.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03928	1.2
55.01872	2.0
57.03444	2.6
61.02942	1.6
62.06097	8.2
63.02376	0.4
65.03929	1.4
67.05476	1.2
69.03439	5.6
70.18616	0.4
70.18949	1.2
71.01331	0.4
71.04964	0.5
73.02907	0.7
78.91872	0.3
79.05502	3.0
80.06268	0.3
81.03433	2.4
81.07028	0.6
83.01309	0.4
85.02912	10.5
87.04464	0.7
89.03905	0.5
91.05488	17.7
93.07047	1.7
95.04986	1.6
95.05499	0.3
97.02898	5.3
99.04435	0.9
103.05459	2.4
105.03352	0.7
105.07040	6.6
106.04194	0.3
107.04970	4.3
108.05758	1.6
109.02891	2.1
109.06518	1.2
109.44187	0.3
110.03654	0.5
115.05453	0.9
117.03384	0.5
117.07001	0.8
118.04165	1.0
119.04952	23.4
121.02882	0.6
121.06522	3.0
122.03662	0.6
123.04432	3.2
123.08075	3.7
125.05993	1.6
127.03922	1.8
131.04883	1.0
132.05725	0.3
133.02882	3.2
133.06497	5.5
135.04413	3.6
135.08058	1.0
136.05214	3.3
137.05020	0.4
137.05986	4.7
138.03130	1.3
139.03923	0.8
141.05453	0.9
145.02808	0.6
145.04955	0.8
145.06471	1.7
146.03583	1.2
147.04420	31.6
149.02348	5.1
149.05992	3.9
150.03133	0.4
151.07556	23.2
153.05476	20.1
154.06258	4.9
159.04321	0.4
161.05977	3.9
162.03154	0.6
163.03911	5.7
163.07579	1.9
164.04619	0.5
165.05484	6.6
165.09152	1.7
166.06291	0.9
167.07063	5.1
169.04976	0.5
169.08618	0.8
173.05962	3.0
175.03931	0.5
177.05478	10.5
178.06291	2.2
179.07045	100.0
180.07431	1.0
181.05029	3.3
181.08623	3.7
183.06555	0.9
183.10210	2.7
187.07486	0.4
189.09082	0.7
189.72466	0.4
190.06299	0.5
191.07028	1.9
193.04907	1.8
193.08630	1.3
195.06554	4.7
196.07324	0.4
197.08105	49.7
198.08896	11.7
199.09679	5.2
203.06998	0.6
205.08601	2.3
207.06532	2.0
207.10204	1.0
208.10600	0.5
209.08122	1.6
209.10788	0.3
213.05713	0.4
217.08673	0.6
219.06560	0.7
221.08037	0.6
223.09683	5.6
224.11307	1.2
226.10947	0.4
235.09761	1.1
237.07660	0.4
239.09221	0.4
241.04997	0.4
245.08130	0.5
249.07594	0.5
256.11902	1.4
269.04510	1.1
273.07504	0.4
307.11789	0.5
313.03485	0.5
327.10852	1.1
343.11774	1.1
347.14853	0.5
353.82642	0.4
357.13486	0.8
360.14166	0.9
363.14322	5.4
365.05496	0.5
375.14386	5.1
375.18835	0.4
393.15637	1.1
454.20767	3.5
465.08289	1.2
616.26038	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	615.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.8
53.03941	7.4
55.01863	6.3
55.05515	49.7
57.03439	9.4
57.07079	20.7
57.38719	1.7
65.03920	5.2
67.05504	100.0
68.05830	2.4
69.07070	57.5
71.04987	6.1
71.08629	14.4
79.05492	66.8
81.03421	3.0
81.07056	97.5
83.04984	6.2
83.08621	36.8
84.03221	1.8
85.06537	6.0
85.10178	4.7
89.06022	7.7
91.05479	76.6
93.07046	87.3
94.90397	1.8
95.04971	6.3
95.08607	73.5
97.06525	8.6
97.10175	20.1
99.08090	8.2
103.05469	2.5
105.04563	2.0
105.07030	71.9
106.07397	2.5
107.04976	1.9
107.08594	43.1
108.08894	1.7
109.06546	5.6
109.10166	30.1
109.10854	3.5
111.08077	5.6
111.11687	8.8
115.05428	2.1
117.07010	19.0
118.86125	1.6
119.08584	64.6
121.06482	2.4
121.10147	42.1
122.28442	2.0
123.08101	3.4
123.11710	7.0
125.09700	2.1
128.06172	3.1
128.43942	1.7
129.07004	15.6
130.07777	2.9
131.08574	28.6
132.02434	1.9
133.08607	3.2
133.10132	50.0
135.08098	3.0
135.11697	32.6
137.05971	2.5
137.09715	2.5
137.13248	3.3
137.97220	1.8
139.11250	2.6
143.08557	11.0
144.09341	2.0
144.52528	1.8
145.10123	29.3
147.11691	51.8
149.09624	3.6
149.13258	19.3
151.11200	3.6
151.14824	2.1
157.10147	11.9
159.11690	21.9
161.09496	1.9
161.13255	38.1
163.11224	4.8
163.14833	8.2
171.11667	17.6
173.13255	15.6
175.14793	19.8
177.12730	1.9
179.14366	6.6
183.11607	2.2
185.13223	11.7
187.14841	4.4
189.12868	2.4
189.16380	2.9
197.13353	3.2
199.14929	6.6
201.16461	3.9
213.16389	3.9
217.19611	2.1
229.50824	2.1
231.21074	13.3
239.17984	2.2
241.19508	40.7
243.17561	2.2
243.20950	1.9
257.19049	6.3
259.20578	92.9
261.22198	3.1
265.25299	5.2
274.61819	1.9
275.20099	6.8
277.21576	17.7
302.41116	2.0
315.23312	6.2
325.13516	1.8
333.24246	46.6
335.25824	2.5
339.28952	82.3
351.25424	3.4
417.87711	2.1
450.24356	2.1
523.45178	5.6
597.48938	12.9
615.49792	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01871	2.2
55.05513	20.2
57.03424	4.5
57.07076	7.0
65.03929	2.6
67.05509	39.3
68.05845	1.1
69.06726	1.6
69.07072	21.8
70.49827	0.8
71.05000	1.3
71.08639	7.6
71.51767	1.0
71.52120	1.3
77.03907	1.0
77.11526	1.0
79.05498	23.9
81.07059	47.8
82.07422	1.1
83.04997	2.4
83.08621	15.4
85.06560	2.3
85.10204	2.0
89.06039	4.3
90.09704	0.9
91.05485	35.6
93.07048	31.3
94.07385	1.1
95.04964	4.0
95.08610	37.3
97.06538	5.8
97.10159	5.9
99.08111	3.9
103.06269	1.0
104.06257	1.2
105.07039	26.1
107.04979	1.6
107.08594	20.2
108.08917	1.3
109.06531	3.2
109.10165	14.0
111.08146	1.4
113.09684	1.4
117.07037	5.6
119.08589	18.4
121.10160	16.7
123.08093	1.7
123.11734	4.3
125.09644	2.3
129.07002	2.4
131.08592	13.6
133.10135	36.3
135.11723	10.3
137.06050	2.5
137.09615	2.2
137.13271	1.7
141.07008	1.6
143.08595	4.1
145.10135	12.7
147.08098	3.6
147.11690	8.7
149.09685	1.8
149.13254	4.6
151.11180	3.4
151.14784	1.2
155.08609	2.1
157.10147	4.3
159.11731	8.1
161.09673	1.2
161.13263	7.3
163.11208	2.5
163.14848	3.9
169.10197	2.1
171.11726	3.6
173.13301	4.1
175.14856	5.7
177.16428	2.1
179.14302	6.3
183.11731	2.7
185.13326	2.2
187.14873	2.4
189.16414	3.3
191.14313	1.2
199.14844	2.7
201.16470	2.0
203.18005	2.1
205.19627	1.5
211.14940	1.9
213.16412	1.8
215.17856	1.3
217.19614	1.5
219.21027	1.2
223.14754	1.3
231.21202	1.8
239.17975	1.1
241.19603	1.6
243.21188	2.0
245.22560	1.0
257.18890	1.0
257.22833	1.1
259.20691	1.6
261.22232	3.2
270.21912	1.1
275.20157	1.6
277.18546	1.5
277.21704	7.0
278.22028	1.4
287.23682	2.1
295.23001	1.0
301.25284	1.5
315.27072	1.1
335.25888	2.3
337.27478	3.3
339.29102	3.0
407.52554	0.9
517.39398	1.5
523.44989	5.7
541.46185	2.4
597.48737	9.5
615.49884	100.0
616.50043	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	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60519	0.8
51.02362	0.9
51.61756	0.9
53.03944	3.9
53.18863	0.7
55.01870	1.2
55.05515	21.2
57.03445	4.0
57.07075	9.2
57.33078	0.6
65.03939	2.6
65.48259	0.9
67.05507	44.0
69.07076	24.2
69.18337	8.6
69.83070	0.8
71.04978	0.9
71.08636	4.0
73.23772	0.8
77.03952	1.1
79.05500	27.5
81.03407	0.8
81.07059	45.1
83.04980	1.7
83.08621	12.8
85.06557	2.2
85.10172	1.4
89.06043	0.8
91.05489	22.4
93.07049	33.2
93.07644	1.7
95.04983	2.7
95.08616	36.3
97.06530	3.7
97.10182	6.1
98.20692	1.2
99.08105	3.7
105.04556	1.3
105.07040	25.5
107.08604	21.6
109.06499	1.3
109.10162	13.7
111.08065	2.0
111.11726	1.0
117.07026	6.7
119.08588	23.6
121.10159	14.7
123.11684	4.8
125.09666	2.1
128.06169	0.8
129.07037	3.8
131.08578	13.8
133.08621	0.9
133.10132	15.1
135.08031	1.1
135.11691	10.0
137.09654	1.4
137.13284	2.9
139.11177	1.1
141.07040	1.2
143.08578	3.7
145.10126	14.4
147.11671	9.8
149.09679	1.1
149.13232	4.8
151.11211	2.3
151.14810	1.0
153.12730	1.1
155.08603	1.3
157.10143	4.4
158.84749	0.8
159.11688	7.4
161.13254	7.8
163.11247	2.3
163.14825	4.5
169.10201	1.9
169.69548	0.7
171.11722	4.7
173.13292	5.5
175.14809	5.5
177.16437	2.2
179.14302	1.8
183.11816	1.6
185.13324	3.5
187.14859	3.5
189.16382	4.2
191.17986	1.1
197.13354	1.4
199.14868	2.7
201.16437	2.4
203.18056	2.0
213.16492	2.2
215.18019	2.9
217.19548	1.5
221.22971	0.8
231.21130	1.6
233.22649	0.8
241.19730	1.0
243.21152	1.4
259.20532	1.4
261.22278	2.6
263.23724	0.9
273.22122	1.4
275.20114	1.5
275.23526	0.9
277.21655	4.8
289.25342	1.0
301.25360	1.5
335.25900	2.6
337.27573	3.2
339.29187	1.2
391.68811	0.9
445.37164	1.1
503.37515	1.4
505.44125	1.1
517.39233	0.9
523.45300	4.3
531.40387	1.4
541.46228	1.2
545.42566	1.7
579.48309	0.9
597.48822	8.4
615.49860	100.0
616.49957	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	614.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01866	6.3
55.05515	38.8
56.05859	5.6
57.03433	16.7
57.07064	16.2
59.04993	4.3
67.05177	7.5
67.05510	95.9
68.05846	12.5
69.07066	43.6
69.28161	40.9
71.08636	9.0
79.05503	50.3
80.05839	7.4
81.03428	61.7
81.07063	100.0
82.07401	8.9
83.04975	14.8
83.08623	32.7
85.06519	5.0
85.10151	4.5
89.06042	48.0
91.05479	51.1
92.05835	7.4
93.07047	59.4
94.07372	7.9
95.04969	39.5
95.08621	63.9
96.08940	11.4
97.06516	17.3
97.10178	13.5
99.08087	6.7
105.07044	46.5
106.07388	5.7
107.04963	9.4
107.08576	38.7
108.08939	4.5
109.06516	10.8
109.10179	29.1
110.10530	5.9
111.08069	7.2
117.07000	14.3
119.08591	47.0
121.06518	8.1
121.10133	19.2
123.08107	9.5
123.11697	11.0
125.05952	5.2
125.09614	7.3
128.06259	5.6
129.06998	15.3
131.08565	30.5
132.08887	5.8
133.08623	36.5
133.10114	28.3
135.08041	13.2
135.11708	12.6
137.09586	5.4
142.07806	7.0
143.08583	22.3
144.08769	4.4
145.10133	32.3
146.10503	5.5
147.08070	4.4
147.11690	20.8
148.11981	5.3
149.09641	8.2
151.11212	9.0
154.46759	4.0
155.08568	6.3
157.10121	21.9
159.08047	5.4
159.11720	16.8
161.09599	8.3
161.13240	11.7
162.13614	5.5
163.11165	11.9
168.15703	3.9
169.10172	8.8
171.11676	11.5
173.09674	6.3
173.13223	9.3
173.14642	5.4
175.11221	9.3
175.14835	5.5
177.11218	10.9
179.14369	9.1
181.10109	6.6
182.10844	4.9
183.11697	9.3
185.13141	5.4
193.12251	16.1
197.13344	5.7
199.11183	5.6
207.11794	5.1
211.10910	5.3
221.13361	5.4
223.11234	7.0
239.17986	4.9
263.23590	6.7
267.15945	71.1
271.16675	5.2
273.18567	6.4
275.20081	8.5
277.21667	7.1
281.56754	5.0
301.25357	5.0
305.17310	6.4
337.27390	52.9
338.27371	4.7
352.23895	15.1
364.27142	4.5
384.22989	16.3
415.25345	7.0
444.30542	5.0
476.29422	10.1
529.39032	43.6
547.39661	16.7
548.53064	4.4
556.24738	5.1
582.27686	12.3
596.45203	5.9
614.29999	28.5
614.39581	24.2
614.48651	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03946	1.8
55.01873	1.8
55.05268	1.2
55.05514	15.5
57.03433	3.8
57.07074	3.9
59.05003	0.6
65.03934	1.4
67.05509	26.3
69.03424	0.7
69.07073	15.2
71.04995	1.4
71.08636	3.6
79.05496	15.8
81.07061	26.4
83.04979	0.9
83.08621	7.6
85.06541	1.4
91.05486	16.1
91.06022	1.1
93.07049	20.1
95.04984	1.1
95.08614	21.5
97.06552	2.1
97.10170	5.2
99.08124	1.6
103.05455	1.0
105.07038	21.6
107.08595	10.9
109.06529	1.2
109.10170	8.1
111.08101	1.1
115.05385	0.7
117.07029	9.2
119.08585	25.3
121.10137	6.8
123.08067	0.8
123.11690	3.4
125.09644	1.8
128.06219	1.8
129.07019	6.8
130.07605	0.7
131.08571	20.1
131.09531	1.0
133.10120	10.8
135.11678	3.5
137.09641	0.8
137.13258	1.2
141.07033	2.3
142.07819	1.2
143.08569	10.9
143.88651	0.6
145.10136	22.2
145.11310	1.1
147.11711	5.3
149.09618	1.0
149.13303	2.6
151.14830	1.3
155.08571	5.2
157.10139	9.6
159.11696	10.0
161.13264	6.6
163.14780	0.7
167.08521	1.0
169.10095	5.4
171.11723	5.5
173.09779	0.6
173.13332	5.7
175.14827	5.2
177.12766	0.7
177.16460	0.7
181.10139	2.4
183.11707	4.3
184.12703	0.6
185.11790	1.0
185.13245	5.1
187.14828	7.7
189.12750	0.6
189.16412	2.6
195.11746	2.4
197.13307	3.9
199.13246	1.3
199.14891	5.8
201.16362	6.8
203.18001	1.0
205.19542	0.8
209.13344	2.6
211.14886	3.1
213.16434	3.0
215.17924	3.2
217.19513	1.6
221.13292	0.8
223.14886	2.1
225.16438	2.5
227.18001	2.7
229.19608	1.9
231.21161	1.5
237.16399	1.7
239.18004	1.2
241.19646	2.0
243.17360	0.7
243.21185	1.8
245.19081	1.0
245.22704	1.6
251.18068	1.0
253.19574	1.1
255.21089	1.4
257.19058	0.9
257.22787	0.7
267.21280	0.9
269.22644	0.9
271.24469	1.0
277.21722	0.8
281.22513	0.8
283.24097	0.7
299.23953	0.8
311.23749	1.5
311.27209	0.7
313.21402	0.6
313.25241	1.3
323.23981	0.7
325.25305	1.0
327.26923	0.9
341.24774	1.1
347.25757	0.7
367.30200	0.8
367.85162	0.6
369.31720	0.9
383.32993	1.0
395.32947	1.4
451.35657	0.9
465.37079	1.0
503.42853	2.9
515.37225	1.0
521.43542	14.4
539.44714	7.0
577.45929	1.4
595.47491	8.3
613.48273	100.0
614.48621	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	3.9
54.92554	1.3
55.01873	2.9
55.05515	21.8
55.41461	1.1
55.50857	1.2
57.03442	7.7
57.07072	4.9
65.03940	3.8
67.05507	74.3
69.06724	2.1
69.07070	22.9
69.81131	4.9
69.81556	1.9
71.04990	2.9
71.08628	5.0
77.03899	1.4
79.05494	34.9
81.07057	70.8
81.73161	1.2
83.05026	1.4
83.08623	13.5
85.06570	2.0
85.73251	1.2
91.05478	25.8
91.21721	1.1
93.07046	45.0
95.04979	1.3
95.08611	51.5
97.06532	4.5
97.10176	6.6
99.08085	4.1
105.07030	30.5
105.07695	2.3
106.02818	1.3
107.08601	28.7
109.06526	1.5
109.10154	25.9
111.08092	2.2
113.09669	1.4
117.07011	12.3
119.08582	27.2
121.10143	20.9
123.08107	1.9
123.11702	9.9
128.06371	1.6
129.07011	5.2
130.07788	1.6
131.08574	19.7
133.10136	21.9
135.11691	15.2
137.13304	3.6
143.08583	7.2
145.10124	19.8
147.11691	15.2
149.09692	1.6
149.13281	10.9
151.11197	3.4
157.10080	6.3
159.11700	17.1
161.13235	13.1
163.11205	2.3
163.14830	5.7
169.10146	3.8
171.11682	6.2
173.13268	11.8
175.14874	5.8
177.12814	1.5
177.16473	1.4
179.14307	7.6
181.10136	1.4
183.11734	3.9
185.13258	6.3
187.14827	7.1
189.16422	3.8
195.14009	1.7
197.13411	2.4
199.13249	1.7
199.14873	4.6
201.16365	3.6
213.16434	2.9
215.17888	2.1
217.19572	1.5
217.38051	1.2
227.17874	1.4
229.19574	1.5
231.21117	1.7
233.18987	2.1
239.18021	1.4
239.38104	1.3
241.19649	2.4
243.21207	2.7
247.20480	1.5
257.18961	2.4
259.20499	8.8
261.22144	10.5
263.23853	1.5
273.22205	1.6
275.20209	2.3
277.21594	7.1
287.23801	2.3
299.23611	2.0
301.25485	1.6
315.26959	1.7
317.24954	2.9
323.25839	1.6
333.24304	4.7
335.25751	12.9
337.27432	9.3
355.30191	1.3
503.36981	1.8
521.43945	5.8
539.44507	3.6
543.40717	2.4
595.47437	11.2
613.48273	100.0
614.48492	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	613.4831
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03952	4.4
55.01867	2.9
55.05515	21.0
57.03438	5.3
57.07076	5.7
65.03951	2.8
67.05508	56.3
69.07075	22.9
71.04988	2.3
71.08635	4.7
79.05499	29.6
79.05972	1.4
81.07063	56.0
83.04993	2.0
83.08627	11.0
85.06563	3.0
85.10226	0.9
91.04906	1.0
91.05486	28.7
93.07050	34.4
93.07642	1.7
95.04993	3.1
95.08611	41.8
97.06540	5.4
97.10194	6.2
98.21548	1.8
99.08099	3.8
103.05523	1.0
105.04492	1.0
105.07034	32.4
105.10461	0.7
107.04985	1.1
107.08598	20.3
109.06571	2.0
109.10170	16.1
111.08086	1.5
111.11745	1.2
115.05504	1.1
116.50480	0.9
117.07030	12.2
119.08588	27.7
121.10155	15.6
121.48730	0.9
123.08040	1.5
123.11684	6.0
125.09644	1.7
128.06302	2.0
129.07014	5.2
130.07803	1.7
131.08578	20.3
133.10144	22.0
133.11092	1.6
135.08122	0.9
135.11693	10.6
137.13280	3.2
139.11198	1.0
141.07068	1.0
143.08578	9.1
145.10132	22.2
147.11697	17.0
149.09598	2.0
149.13271	6.8
151.11183	1.3
151.14836	1.4
155.08563	2.8
157.10147	7.7
159.11705	14.7
161.13266	12.4
163.11229	3.4
163.14848	3.2
167.08560	1.2
169.10199	2.9
170.10974	0.9
171.11711	9.8
173.13255	10.4
173.14503	0.9
175.14841	5.6
177.16298	0.8
179.14359	3.6
181.10202	1.1
183.11720	3.4
185.13239	5.2
187.14818	5.3
189.16385	1.7
191.17978	1.1
195.11682	1.2
197.13303	2.9
199.14848	4.4
201.16393	3.5
203.14754	1.0
203.18002	1.5
211.14836	1.1
213.16481	3.3
215.17978	2.7
217.19612	1.8
223.14886	0.9
225.16507	1.1
227.18102	1.5
229.19533	1.5
231.21199	2.8
239.18005	1.6
241.19675	8.7
243.21046	2.2
251.17899	1.0
255.21313	1.6
257.19055	4.0
259.20596	14.3
261.22220	2.9
263.23846	1.0
265.25220	1.0
275.20096	6.3
277.21622	2.4
285.22321	1.8
299.23712	1.6
313.25412	0.9
315.23209	1.6
315.26767	1.3
333.24258	8.5
335.25766	3.8
337.27386	15.9
339.28918	1.1
501.35690	1.0
503.42929	1.0
521.43707	8.4
539.44806	2.5
543.40387	1.4
577.46002	1.0
595.47302	8.2
613.48309	100.0
614.48651	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	3.6
55.01858	2.0
55.05515	22.6
57.03445	6.4
57.07074	5.7
65.03944	2.6
67.05510	52.3
68.05843	0.9
69.07072	21.6
69.49036	3.5
69.49463	2.2
71.04988	2.0
71.08634	3.5
79.05500	33.8
79.05968	1.6
81.03405	0.8
81.07063	53.1
83.04977	2.7
83.08627	11.5
85.06560	2.4
91.05485	29.7
92.05804	0.8
93.07049	34.8
94.09573	0.8
95.04974	2.2
95.08615	43.6
97.06551	4.2
97.10169	7.5
99.08118	2.8
105.07037	31.7
107.04941	0.8
107.08604	21.0
109.06509	1.3
109.10160	15.8
111.08096	2.3
111.11736	1.5
113.09654	1.3
115.05424	1.2
117.07019	11.0
118.69944	0.8
119.08592	32.1
121.10149	15.3
123.08080	1.2
123.11725	6.3
125.09678	1.4
128.06233	1.0
129.05473	1.1
129.07002	7.6
130.07739	1.0
131.08574	24.2
133.10143	21.6
133.11102	1.5
135.08054	1.6
135.11707	11.8
137.06041	1.3
137.09717	1.3
137.13281	3.1
141.06976	1.2
143.08575	9.9
145.10141	19.7
147.11702	16.8
149.09647	1.4
149.13260	6.8
151.11201	1.1
151.14795	2.0
155.08569	2.7
157.10159	8.8
159.11703	14.5
161.09622	1.2
161.13277	15.1
163.11151	1.3
163.14807	4.5
169.10162	3.0
169.57193	0.8
171.11699	8.2
173.13275	8.8
175.11226	1.2
175.14835	8.4
179.14308	1.3
181.10226	1.3
183.11713	2.8
185.13263	6.5
187.14810	6.4
189.16441	1.8
195.11818	1.1
197.13319	3.1
199.14876	4.1
201.16335	4.3
203.17999	2.1
211.14844	2.4
213.16446	3.4
215.17963	3.1
217.15776	1.2
217.19580	2.3
223.14687	1.0
225.16429	1.7
227.18018	2.2
229.19576	2.2
231.17406	1.2
231.21140	3.0
239.18022	1.5
241.19611	10.3
243.21092	3.2
245.22719	1.9
251.17896	1.0
253.19695	1.1
257.19028	3.1
257.22473	0.8
259.20593	20.2
261.22217	3.6
263.23587	1.2
275.20056	4.4
277.18271	1.0
277.21552	2.7
285.21933	1.2
311.23508	1.0
313.25311	1.2
315.23401	1.5
325.25336	1.2
333.24265	10.3
335.25931	5.6
337.27390	21.6
338.27969	1.0
339.29218	1.3
383.33209	1.1
409.35080	1.0
416.31625	0.9
425.33795	1.1
437.33926	0.9
503.42868	1.4
517.39514	1.1
520.40875	0.9
521.43481	8.0
539.44653	3.0
543.40698	1.7
595.47302	8.6
613.48297	100.0
614.48529	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	612.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.9
58.02949	1.0
60.04493	1.2
69.78201	5.6
70.02950	2.9
71.07827	1.1
73.07691	1.5
75.00538	1.2
76.04014	6.2
77.95483	1.0
84.04504	24.4
84.04977	1.8
86.02409	1.6
88.03989	2.6
99.05581	90.1
102.05549	1.2
107.06068	7.7
108.04492	2.9
113.07606	1.0
126.05489	1.1
127.05043	12.9
130.05006	16.6
130.79546	1.0
135.05554	3.5
136.03909	2.5
137.07155	1.1
139.03902	21.2
143.96696	1.1
145.06091	100.0
151.03937	1.3
153.06584	16.7
154.05064	1.3
155.01659	4.2
160.70380	1.0
167.03441	2.4
179.01738	1.0
180.99643	1.5
181.06082	8.5
199.07156	22.1
199.08888	1.7
211.07144	3.1
239.06535	1.0
256.09256	6.7
274.10367	30.8
298.15314	1.1
321.04233	2.8
339.05307	9.9
345.07495	10.6
474.11844	3.0
483.10440	2.2
497.79367	1.1
612.14844	1.2
637.79181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03947	6.4
55.01872	4.8
55.05266	1.8
55.05517	22.3
57.03439	5.5
57.07084	8.6
65.03938	3.6
67.05508	62.0
68.05843	2.9
69.03437	3.5
69.07073	21.8
69.15665	2.8
69.16082	7.5
71.04999	2.6
71.08636	16.2
73.23243	0.9
76.63926	0.8
79.05495	51.9
80.05856	2.8
81.03416	7.7
81.07060	55.5
82.07394	2.9
83.04981	4.8
83.08627	9.9
85.06544	2.3
85.10197	2.6
91.05481	40.5
92.05824	2.5
92.41425	1.1
93.07048	52.8
94.07384	3.0
95.04976	6.6
95.08613	37.0
95.09233	0.9
96.08950	1.9
96.76619	0.9
97.02939	1.3
97.06532	6.1
97.10186	6.8
98.21549	2.1
99.08113	9.1
104.06290	0.9
105.04510	1.7
105.07036	29.8
106.07396	2.3
107.04982	6.7
107.08593	26.1
108.08904	1.3
109.06528	4.3
109.10162	17.8
110.10488	1.2
111.04496	2.0
111.08110	2.9
115.05521	1.3
117.07034	10.3
118.07375	1.0
119.08582	24.2
120.08958	2.4
121.09276	0.8
121.10144	20.3
122.10494	1.7
123.08102	1.7
123.11716	4.3
125.09653	1.8
127.03900	1.2
128.06264	1.6
129.07007	8.6
131.08580	18.8
132.08911	2.1
133.10126	14.2
133.10939	1.1
134.10495	1.6
135.08069	1.8
135.11690	16.8
136.12061	1.0
137.09630	2.4
137.13293	2.0
141.07019	1.1
141.09167	1.5
142.07851	1.1
143.08545	9.3
144.09152	1.1
145.10149	17.1
146.10507	3.1
147.11720	11.6
148.12181	1.0
149.09607	4.6
149.13240	6.4
151.11192	4.9
155.08586	5.3
156.09216	1.1
157.10127	7.0
159.11700	11.2
160.12045	1.8
161.13297	10.6
163.11220	4.0
163.14890	3.1
165.12749	1.3
167.08589	1.4
169.10138	4.5
170.10669	1.5
171.11739	5.4
172.12019	1.1
173.11902	2.1
173.13315	5.6
175.11235	1.1
175.14854	3.2
177.12845	1.9
179.14319	24.6
181.10124	1.8
183.10268	1.1
183.11671	5.5
184.12096	1.2
185.13257	6.4
187.11209	1.2
187.14832	3.3
189.11331	1.1
189.12831	1.1
189.16461	1.0
195.11739	1.3
196.09459	1.1
197.13353	2.7
199.14844	4.2
201.16495	2.5
209.13326	1.9
211.14847	2.2
213.16489	2.0
215.18137	1.1
225.16191	1.4
227.18037	1.3
231.21133	1.5
235.14807	1.2
237.16476	1.9
239.17972	2.3
239.23764	1.0
241.19519	2.7
243.21159	3.8
257.19107	5.8
258.19452	2.1
259.20749	4.5
261.22189	2.7
275.20023	10.2
275.41653	1.1
276.20432	2.2
277.21640	19.6
295.22757	2.1
309.09735	1.0
317.24966	3.1
331.22894	1.7
333.24393	2.0
335.25952	3.5
336.26114	1.3
337.27213	1.8
351.25372	3.2
355.17487	1.1
377.17752	1.1
379.18768	1.2
392.19449	2.3
393.20309	1.9
404.19748	1.0
405.20776	1.7
406.21310	1.9
407.21814	2.3
408.22327	1.8
416.19388	1.7
417.20334	1.8
418.20816	1.2
421.23682	2.8
422.24188	2.1
423.24518	2.8
429.19986	1.4
431.21582	2.4
432.22839	1.2
435.21088	1.8
444.23038	1.5
446.23233	1.0
449.18912	1.7
459.24573	1.5
460.22180	1.2
461.22354	1.7
462.19400	1.9
463.20071	5.4
464.21335	2.8
467.37067	1.3
474.23456	1.8
476.21289	5.3
477.21817	7.2
478.22650	5.4
479.23734	3.6
485.23660	1.6
487.24249	9.2
488.21368	3.5
490.22971	2.5
491.23660	5.3
500.20932	1.3
501.22064	2.4
503.24603	1.5
504.25034	1.8
505.25153	5.3
515.23615	1.7
517.25134	5.4
519.41974	3.0
523.26660	2.0
532.23779	2.1
533.24628	14.7
537.42816	2.1
551.25934	1.7
552.26294	4.6
561.23962	7.7
579.24585	1.3
593.26703	35.5
593.45605	3.7
611.27759	100.0
611.46851	68.2
611.57007	2.0
612.28302	2.3
612.46484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.48310	0.6
55.01877	3.4
55.05513	20.2
57.03434	4.2
57.07075	5.4
58.84831	0.6
59.48418	0.6
65.03943	1.2
67.05507	32.7
68.05358	0.6
69.03428	0.8
69.07071	16.0
69.28255	4.4
71.04994	1.4
71.08621	2.7
77.03938	0.8
79.05495	20.9
81.03421	1.4
81.07059	32.1
82.07408	0.7
82.83356	0.6
83.04961	1.2
83.08621	9.8
85.06554	1.9
85.10146	0.6
91.05479	19.3
93.07045	22.7
95.04979	1.6
95.08609	25.3
96.08935	0.9
97.06533	3.2
97.10184	4.6
98.21523	1.3
99.08070	0.6
103.05467	0.6
105.04525	0.8
105.07034	20.0
106.07294	0.6
107.05013	0.8
107.08600	13.1
108.92698	0.5
109.06538	1.7
109.10149	9.6
111.08094	1.6
111.11711	0.8
115.05479	1.7
117.07016	10.5
119.08585	16.7
121.10139	8.4
123.08093	1.2
123.11706	3.3
125.09640	2.2
128.06229	3.0
129.07013	11.3
130.07800	1.4
131.08571	22.5
133.10130	12.1
134.10451	0.7
135.11702	5.0
137.09593	0.7
137.13251	1.3
139.11192	0.8
141.07025	3.7
141.94089	0.6
142.07826	2.7
143.08560	18.3
144.09344	0.9
145.06462	0.8
145.10124	20.4
147.04387	1.7
147.11685	6.8
149.09612	1.5
149.13271	3.0
151.11185	0.7
153.07007	0.6
154.07773	0.7
155.08562	9.8
155.09731	1.0
156.09381	1.8
157.10138	16.8
159.11703	13.6
161.13260	3.2
163.11140	1.1
163.14818	1.6
165.16350	0.6
166.07823	0.8
167.08568	3.6
168.09346	0.9
169.10135	11.7
170.10855	0.9
171.11700	12.7
173.13277	9.1
175.14841	2.0
177.16454	1.1
179.08545	1.2
179.14328	0.9
181.10133	4.9
183.11697	12.3
184.12296	0.7
185.13264	10.3
186.13773	0.7
187.11192	0.8
187.14810	5.2
189.16443	1.7
191.18022	1.2
193.10165	1.0
195.11737	5.5
196.12387	0.7
197.09825	0.6
197.13243	8.2
199.13203	0.9
199.14844	7.3
201.16409	5.0
203.17937	0.7
205.19577	0.8
207.11729	1.7
209.13326	3.7
211.14825	5.8
212.53047	0.6
213.16431	5.6
215.18018	2.4
221.13307	1.6
223.14816	3.7
225.16396	4.7
227.14421	0.7
227.18031	4.2
229.19545	2.6
231.21034	0.8
235.14853	1.6
237.16425	2.6
239.18015	3.2
241.19609	3.3
243.21118	1.6
249.16400	1.0
251.17952	0.8
253.19522	2.5
255.21164	2.1
257.19138	2.2
257.22760	0.9
259.13525	2.1
259.20630	0.6
261.22339	0.7
263.17993	0.9
265.19540	0.9
267.21127	1.4
269.19101	0.7
275.20169	3.0
279.21106	1.2
281.19003	0.7
281.22812	0.8
283.20636	1.0
291.21158	0.6
293.22748	0.7
295.24124	0.7
297.22031	1.0
299.23557	0.8
309.25717	0.7
311.23767	1.1
313.21759	0.6
325.25085	0.9
335.26279	0.8
339.26987	2.0
343.26382	0.7
351.26840	0.9
353.28534	1.7
355.26477	0.9
367.30142	1.3
379.30237	1.1
381.31680	1.1
393.31662	1.4
395.33279	1.2
431.33057	0.6
435.32324	0.7
437.34036	0.9
449.34335	1.1
499.75031	0.8
501.41205	3.3
513.36401	0.8
519.42041	14.2
527.37750	0.7
537.43097	9.1
541.38647	1.2
555.43622	1.0
557.43500	0.9
575.44708	2.1
593.45801	14.6
611.46692	100.0
612.46985	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	611.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75639	0.9
53.03949	5.8
55.01872	3.4
55.05513	19.3
57.03437	4.5
57.07083	7.3
63.04730	0.9
65.03945	3.3
67.05508	62.3
68.05855	1.7
69.03439	3.0
69.07068	18.2
69.26558	1.3
69.26951	9.3
71.04996	2.8
71.08639	13.9
75.08852	0.9
77.07620	0.9
79.05499	47.5
80.05836	2.1
81.03416	5.9
81.07062	49.7
82.07397	1.7
83.04993	6.7
83.08620	12.0
85.06553	3.2
85.10197	1.5
91.05479	40.1
92.05837	2.5
93.07048	49.3
94.07383	3.5
95.04984	6.6
95.08619	39.6
96.08924	1.9
97.06522	7.1
97.10181	5.5
99.08112	8.6
103.05440	1.2
105.04527	2.6
105.07037	30.7
106.07365	1.6
107.04954	4.5
107.08601	25.7
108.08952	1.7
109.06520	4.3
109.10160	20.0
111.04464	1.2
111.08085	1.7
113.09682	1.9
115.05479	2.3
117.07033	12.9
119.08587	22.8
119.09374	1.9
120.08953	1.2
121.06543	2.0
121.10143	19.4
122.10515	1.3
123.08077	3.3
123.11708	4.1
125.09670	2.8
127.03999	1.2
128.06310	1.5
129.07037	7.8
131.08578	18.6
132.08911	1.4
133.08609	1.4
133.10139	17.4
134.10539	2.1
135.08086	2.2
135.11685	15.5
137.09654	2.7
137.13263	2.1
141.07005	2.7
141.09239	1.3
142.07800	2.0
143.08551	9.3
145.10127	18.8
146.10469	2.0
147.08156	1.2
147.10623	1.6
147.11710	12.0
148.12036	1.1
149.09673	3.9
149.13277	8.2
151.11230	4.4
155.08565	2.9
156.09262	1.2
157.10146	6.7
159.11670	10.0
159.12656	1.0
160.12108	1.3
161.09624	1.5
161.13278	9.8
163.11157	4.8
163.14871	4.2
165.12799	1.8
167.08626	2.3
169.10126	5.6
171.11732	8.1
173.11813	2.5
173.13310	6.2
175.14861	4.2
177.12801	2.3
179.14328	23.5
181.10149	1.3
183.11691	4.7
184.12196	1.2
185.13231	6.0
187.14868	3.7
189.16550	1.1
195.11842	1.1
197.13341	3.3
199.14871	3.2
201.16476	1.6
209.13483	1.5
211.14899	3.6
213.16452	3.6
215.17967	1.6
225.16359	1.3
227.18004	2.1
235.17136	1.5
237.16354	1.7
239.17990	1.7
239.23659	1.1
240.18553	1.4
241.19598	3.6
243.21191	3.0
248.12602	1.1
257.19058	6.2
259.20618	3.9
261.22031	5.0
275.20032	9.7
276.20465	1.2
277.21634	18.9
295.22870	1.1
299.14667	1.4
317.24899	3.3
333.24292	1.8
335.25949	3.5
336.26404	1.2
337.27371	1.7
351.25659	3.5
391.19266	1.7
392.19543	2.3
393.20135	1.6
394.21051	1.4
401.17712	1.3
404.19928	1.2
405.20938	1.1
406.21564	2.0
407.21695	3.4
408.22748	1.3
409.23080	1.3
416.19858	1.9
417.20471	2.1
422.24106	1.7
423.24518	2.1
430.21014	1.5
431.21411	3.5
435.21042	1.9
448.17459	1.3
459.24277	1.5
462.20053	2.1
463.19867	4.9
464.21283	1.3
465.21945	1.4
475.20953	1.4
476.21994	3.3
477.21912	9.3
478.22772	5.7
479.23318	2.5
485.23837	1.3
487.24570	8.3
488.20816	2.4
489.22321	2.3
491.23483	3.7
501.21774	2.2
502.23117	2.6
505.24756	4.3
517.25067	6.6
519.41699	4.3
523.26398	2.4
531.23785	1.3
533.24615	15.4
537.43091	3.7
551.25690	2.7
552.26715	3.2
555.43738	1.7
561.24286	7.2
593.17389	1.9
593.26678	32.6
593.45782	3.1
594.26367	1.2
611.27765	100.0
611.46881	77.7
612.28180	1.9
612.46667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	1.0
51.02381	0.7
53.03941	6.4
55.01874	12.4
55.05513	30.0
57.03432	3.4
57.07074	4.3
57.21447	0.7
65.03948	5.8
66.04729	0.9
67.05506	100.0
69.03426	2.8
69.07069	40.8
69.75904	3.8
69.87263	0.8
71.04990	3.3
71.08635	4.2
71.38594	0.8
73.04774	2.1
75.38285	0.8
77.03930	1.4
79.05021	1.0
79.05495	68.3
81.03416	6.1
81.07058	98.9
83.04987	9.9
83.08624	15.3
85.06539	2.3
85.10176	0.8
91.05475	58.9
92.05827	0.9
93.07046	59.0
95.01332	7.4
95.04981	12.4
95.08608	65.9
97.06530	21.0
97.10165	8.0
99.08103	4.4
103.05486	3.1
105.04518	2.5
105.07033	63.8
107.04968	16.3
107.08596	42.9
109.06537	5.2
109.10158	22.8
110.47118	0.8
110.60637	0.8
111.08093	4.9
113.09651	2.4
115.05470	2.3
116.06239	1.1
117.07022	16.5
119.08582	38.3
121.06519	3.2
121.10144	19.9
123.04440	1.3
123.08096	3.2
123.11700	9.4
125.08203	0.8
125.09653	4.2
128.06219	2.4
129.07033	5.8
129.07870	1.0
130.07779	1.1
131.08569	21.6
133.06516	1.5
133.10135	40.5
135.08072	5.6
135.11685	11.8
137.06044	2.0
137.09647	3.2
137.13293	2.2
139.11229	1.6
141.07019	2.0
142.07851	1.0
143.08559	7.8
145.06517	1.8
145.10118	26.0
147.08008	1.3
147.11693	19.5
147.12791	1.5
149.09621	14.2
149.13274	6.1
151.11206	3.6
151.14821	1.0
153.12759	1.4
155.08580	3.0
157.10152	5.2
159.08186	1.1
159.11693	13.6
160.43408	0.9
161.09621	1.5
161.13254	10.6
163.11177	8.1
163.14894	2.9
165.09195	1.4
165.12801	2.3
167.05653	0.9
169.10164	3.8
171.11687	5.1
173.11884	1.6
173.13295	6.2
175.11179	1.9
175.14793	3.8
177.12798	3.0
179.14305	17.7
181.10260	0.8
181.12180	0.9
183.11749	2.8
184.67751	0.8
185.13297	3.3
187.11247	2.9
187.14949	2.5
189.11209	2.5
189.12750	1.8
189.16489	1.1
193.12306	1.5
195.11642	0.9
197.13347	2.8
199.14902	1.2
201.12614	1.2
201.16382	2.0
203.14366	0.8
205.12172	1.6
209.13437	0.9
211.14914	1.4
213.16458	1.2
215.14337	1.0
215.18039	1.1
219.17487	3.9
219.40144	0.8
229.19600	2.9
233.15567	0.8
239.09538	1.1
239.17987	4.7
241.14316	1.8
245.22836	1.0
247.20551	3.7
257.19028	11.4
259.20670	1.3
263.23798	3.6
275.20065	86.6
277.21631	6.4
285.01175	1.1
293.21158	9.0
331.22809	1.6
335.26486	0.8
337.27548	1.8
344.02429	0.9
349.23904	2.6
355.07092	1.8
356.07132	1.8
425.34152	1.0
499.37738	2.1
528.66559	0.9
537.42743	1.0
593.46204	1.4
611.46741	94.1
612.46741	2.0
612.90875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01862	4.6
55.05514	22.9
57.03439	4.0
57.07069	3.8
65.03954	2.7
67.05509	56.8
69.07074	20.0
69.85650	4.9
71.04993	1.6
71.08639	2.0
77.03909	0.9
79.05493	38.7
81.03418	1.6
81.07061	57.0
83.04987	3.0
83.08628	8.5
85.06567	2.5
91.04908	1.3
91.05481	34.4
93.07050	37.9
95.04980	3.5
95.08612	39.2
97.06530	6.3
97.10206	4.4
98.20840	1.2
99.08105	2.0
103.05460	2.0
105.04575	1.2
105.07036	31.8
107.04990	2.8
107.08597	22.9
109.06567	2.0
109.10156	14.8
111.08102	2.1
112.36572	0.9
115.05497	1.6
117.07024	13.5
119.08591	24.3
121.06566	1.3
121.10142	16.6
121.10934	1.7
123.08093	1.9
123.11726	5.3
125.09649	2.6
128.06244	2.0
129.06995	8.9
130.07835	0.9
131.08578	24.5
131.09532	1.6
133.10141	19.8
135.08098	2.0
135.11696	11.9
137.09723	0.9
137.13306	2.3
141.07051	2.1
142.07808	2.0
143.08572	10.8
144.09431	1.2
145.10130	21.0
147.11696	16.6
149.09641	6.5
149.13272	5.0
151.11261	1.2
155.08549	4.2
156.09302	0.9
157.10104	11.4
157.11081	0.9
159.11694	15.0
160.12164	1.0
161.13272	8.5
163.11171	4.9
163.14854	2.7
165.12798	1.4
167.08623	1.5
169.10132	6.2
171.11679	9.9
172.31050	0.9
173.13269	12.2
175.11272	2.1
175.14854	4.7
177.12746	1.3
177.16374	1.8
179.14355	3.6
181.10237	2.1
183.11731	4.9
185.13271	6.8
187.14854	4.8
189.16469	2.1
195.11752	3.0
197.13307	3.8
199.14876	5.9
201.16362	2.4
209.13321	2.5
211.14919	2.5
213.16457	2.9
215.18004	3.1
223.14883	2.5
225.16492	1.7
227.18057	1.6
229.19583	2.1
231.21022	1.1
239.18053	3.6
241.19661	5.1
243.21327	1.0
255.17281	1.3
257.18979	5.9
259.20581	9.9
261.22256	3.6
263.23773	1.2
271.20612	1.1
275.20081	20.4
277.21689	1.5
293.21255	1.9
297.22327	1.2
306.97498	0.9
309.22012	1.1
311.23862	1.8
315.23166	1.7
331.23010	1.5
333.24243	6.5
335.25784	9.1
337.27402	1.5
489.35287	1.2
519.42078	5.3
537.43188	3.9
541.39545	1.6
593.45514	4.7
611.46710	100.0
612.47180	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25943	0.9
51.90459	1.0
53.03942	3.5
55.01885	2.1
55.05514	19.1
57.03424	4.3
57.07079	4.3
64.91582	0.9
65.03930	1.6
67.05507	42.4
69.07066	16.1
69.93425	1.9
69.93839	3.2
71.04980	2.5
77.03905	1.0
79.05495	31.6
81.07056	44.6
83.04955	1.8
83.08628	8.2
85.06531	1.6
91.05485	29.7
93.07043	34.9
95.04975	2.1
95.08608	32.5
96.11123	0.8
97.06542	3.2
97.10176	3.3
99.08134	1.6
105.04524	0.9
105.07034	30.0
107.04937	1.0
107.08597	21.0
109.06564	1.3
109.10155	14.9
111.08098	1.6
115.05507	1.1
117.07014	14.9
119.08586	25.4
121.10148	17.9
121.11026	0.9
123.11689	5.3
125.09594	1.8
128.06250	2.5
129.07005	10.8
130.07782	1.5
131.08565	22.0
133.10129	18.5
135.11681	13.5
137.13223	1.6
139.11185	1.3
141.07008	2.8
142.07787	2.3
143.08568	12.2
144.09315	0.9
145.10121	20.9
147.11700	16.8
149.13295	8.3
151.11169	1.2
155.08548	3.7
157.10129	13.2
159.11705	17.0
161.09621	1.4
161.13264	13.1
163.14857	3.8
165.12741	1.1
167.08565	1.1
169.10139	7.1
170.10777	0.9
171.11687	11.4
173.13278	12.3
175.14885	6.6
177.16508	1.2
179.14420	1.3
181.10129	3.3
183.11703	7.6
185.13280	9.9
187.14769	5.7
189.12967	1.2
189.16446	2.1
195.11827	2.1
197.13261	5.4
199.14839	5.1
201.16370	5.2
203.14340	1.0
206.10992	1.0
209.13287	1.7
211.14883	4.0
213.16409	3.9
215.18004	3.7
223.14893	1.4
225.16428	2.8
227.18047	2.8
229.19667	1.0
231.21130	2.0
239.18024	2.5
241.19690	8.8
243.21185	2.5
255.21135	1.6
257.19003	3.4
259.20596	17.0
261.22263	3.7
271.20566	1.2
275.19876	1.6
277.21732	1.6
333.24338	10.0
335.25769	16.6
337.27423	2.3
339.26907	1.5
361.66931	1.0
365.28638	1.3
367.29868	1.3
411.32797	0.9
487.34647	1.2
489.35876	1.3
491.42471	1.5
515.37634	1.2
519.42163	6.5
537.42987	5.3
541.38947	3.3
593.45673	10.4
611.46716	100.0
612.46826	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67124	0.7
53.03960	1.9
55.01860	1.6
55.05516	12.5
57.03436	3.1
57.07079	2.3
65.03953	1.3
67.05511	24.3
68.27610	0.6
69.03423	0.8
69.07068	10.4
70.76189	1.7
70.76544	0.9
71.08636	1.6
79.05065	1.5
79.05500	18.5
79.05963	0.9
81.07063	23.7
83.05003	1.2
83.08625	6.5
91.05485	14.3
93.07050	16.7
95.04968	1.5
95.08610	17.8
97.06536	2.2
97.10183	2.9
99.08141	0.8
105.04540	0.8
105.06384	1.5
105.07039	14.9
107.08598	10.3
109.10177	8.9
115.05466	2.1
117.07031	11.9
119.08586	13.3
120.74030	0.8
121.10149	7.0
123.08073	0.8
123.11700	1.7
125.09643	1.0
128.06233	2.5
129.05544	0.8
129.07004	8.5
130.50417	0.7
131.08571	15.4
133.10144	11.3
135.11684	4.2
137.13235	1.1
141.07010	3.4
142.07838	2.2
143.08585	13.1
145.10138	15.2
147.11690	7.1
149.13266	2.0
153.07013	0.8
155.08560	7.4
156.09320	1.7
157.10136	12.5
159.11713	8.5
161.13220	3.7
163.14915	1.0
167.08614	3.6
168.09467	0.9
169.10132	8.9
171.11726	10.2
173.13266	7.5
175.14812	2.0
181.10121	3.8
183.11681	8.1
185.13239	9.0
187.14859	4.0
189.16434	1.9
191.17982	1.2
193.10210	1.5
195.11775	3.7
195.13516	0.8
197.13249	5.2
199.11227	0.9
199.14833	5.9
201.16460	3.3
205.64487	0.8
207.11807	1.3
209.13324	3.0
211.14922	4.3
213.16476	2.9
215.17975	1.7
217.19684	0.8
221.13344	1.2
223.14937	2.1
225.16489	3.3
227.18016	3.3
229.19635	2.5
237.16446	1.2
239.18010	1.7
241.19829	1.9
243.21173	1.4
253.19638	1.8
255.21257	1.4
257.19324	0.9
263.17914	1.0
265.19482	0.9
275.20035	1.4
279.20996	1.2
297.22104	1.0
311.23663	1.2
313.25403	0.9
323.23685	1.0
325.25369	1.1
339.26974	1.8
341.28418	1.3
353.24670	1.0
353.28583	1.8
395.33163	1.2
421.31149	1.0
449.33731	1.2
501.41037	1.1
519.42188	9.6
537.43042	7.0
541.38910	1.8
593.45837	10.2
611.46741	100.0
612.47064	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.2
53.03949	3.1
55.01868	1.7
55.05274	1.4
55.05517	20.3
57.03447	5.5
57.07085	5.0
65.03944	2.1
67.05508	36.5
69.07072	17.4
69.17419	4.8
69.17841	4.5
70.60219	0.8
71.04971	1.9
71.08624	3.2
79.05495	22.1
81.03415	1.5
81.07063	34.8
83.04961	1.3
83.08627	9.0
85.06548	1.3
85.10196	1.3
91.05488	18.2
93.07044	23.0
95.05004	1.9
95.08611	27.4
97.06539	3.4
97.10190	4.5
99.08138	1.0
99.15877	1.0
105.07031	21.1
107.08592	15.0
109.10156	12.5
111.08116	1.7
115.05545	1.6
117.07022	14.4
119.08592	19.1
121.10152	9.1
123.11723	2.8
125.09624	1.4
128.06233	2.9
129.07016	15.6
130.07793	1.5
131.08577	22.4
133.10120	12.2
135.11691	5.1
137.13280	1.4
141.07001	6.2
142.07793	3.0
143.08582	23.1
145.10127	24.7
147.11691	6.3
149.13298	3.5
154.07768	1.7
155.08568	11.0
156.09386	1.9
157.10133	20.0
158.10811	1.0
159.10423	1.1
159.11687	15.4
161.13248	4.9
163.14890	1.8
167.08629	4.3
169.10126	15.4
169.11540	1.1
170.11026	1.5
171.11700	14.5
173.13272	9.5
175.14882	2.1
177.16434	1.1
179.08595	1.1
181.10197	6.8
183.11705	14.6
185.13281	10.2
187.14761	6.2
189.16418	1.5
193.10176	1.6
195.11786	4.0
197.13266	7.9
199.14813	7.8
201.16464	4.0
203.18112	1.4
205.19608	0.9
207.11751	1.8
209.13315	4.3
211.14857	5.7
213.16493	5.7
215.18053	3.5
221.13416	1.7
223.14853	4.1
225.16399	5.0
227.18048	4.8
229.19510	4.4
235.14883	1.9
239.18034	3.6
241.19595	3.2
243.21185	1.5
251.17896	1.5
253.19670	2.7
255.21388	1.5
257.22720	1.6
263.17999	1.2
265.19577	1.7
267.21152	2.3
271.20544	1.4
281.18793	1.0
281.22720	1.4
295.20737	1.1
295.24118	1.2
309.22186	1.1
311.23941	1.8
323.23840	1.3
325.25247	1.2
353.24646	1.5
353.28699	1.4
367.30029	1.5
381.31628	1.2
383.29449	1.4
407.32986	1.1
431.33649	1.5
463.35403	1.1
501.41092	2.6
519.41931	17.0
523.38123	1.7
530.36615	1.0
537.42969	8.5
541.39252	1.3
557.43597	1.1
575.44165	1.3
593.45667	15.0
611.46808	100.0
612.47003	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02961	4.8
53.03938	6.7
55.01863	6.2
55.05525	23.0
57.03428	14.6
57.61504	4.7
67.05508	67.8
69.03423	5.6
69.07055	19.8
69.23272	43.7
71.01350	5.2
71.04989	8.2
79.05496	46.5
81.03414	23.3
81.07066	55.3
83.04985	15.8
83.08602	14.8
91.05447	43.9
93.07050	44.0
95.04961	16.0
95.08639	27.6
97.06533	11.3
97.10162	8.6
105.07047	39.9
107.04958	16.2
107.08607	30.2
109.06554	5.7
109.10173	31.3
110.94480	4.5
117.07032	17.4
119.08585	17.3
121.06490	9.1
121.10149	22.0
123.04410	6.2
127.03995	4.8
129.06996	7.6
131.08556	21.0
132.87669	4.7
133.10130	21.8
135.11710	11.7
137.09637	9.4
145.06503	6.1
145.10121	12.7
147.08102	7.3
147.11668	8.9
148.00558	4.4
149.09618	8.5
151.11148	10.1
155.08562	6.3
157.10129	9.4
159.11719	12.4
161.09557	6.2
161.13220	5.9
163.11234	6.3
169.10065	7.6
171.11673	8.0
189.12814	5.3
191.14331	5.9
244.34360	5.1
292.48950	5.3
329.24310	5.2
339.23038	6.7
357.24265	15.8
375.25211	13.7
431.27982	100.0
449.28998	18.1
555.27814	4.7
593.41913	6.3
611.42920	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	611.1611
Annotation	Rutine
Peak:m/z	Relative Intensity
56.68843	0.3
57.03447	2.0
61.02923	0.6
65.03938	0.3
68.99768	0.6
69.03430	0.8
71.04999	11.8
71.51044	0.5
75.04476	0.4
79.96694	0.3
81.03421	0.7
83.04991	0.6
85.02913	16.0
87.04430	0.4
91.03992	0.4
97.02891	1.0
98.60066	0.3
100.41306	0.3
108.36131	0.3
109.02876	0.7
109.06511	0.3
111.00796	0.7
111.04450	0.4
121.02876	0.7
123.04388	0.4
127.03901	0.9
129.05486	3.9
137.02357	2.8
137.05946	0.3
139.03912	0.7
145.04997	1.1
147.06541	1.1
153.01834	3.8
163.03906	0.6
165.01875	1.5
167.07167	0.3
173.06128	0.3
183.02907	0.9
201.05515	1.8
229.04990	3.4
247.05986	0.8
257.04480	2.6
274.04758	0.7
275.05347	0.4
285.03961	1.3
303.05017	100.0
304.05341	1.2
359.43646	0.3
458.14902	0.3
465.10486	1.8
611.23730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03951	11.6
55.01871	11.4
55.05513	24.8
57.03435	2.5
57.07067	1.1
65.03944	6.0
67.05508	65.2
69.03425	1.3
69.07072	38.5
70.05534	0.9
71.04997	2.6
71.42864	2.1
77.03910	2.3
79.05497	68.8
81.03423	8.4
81.07060	69.7
81.26987	1.0
83.04987	8.7
83.08628	9.8
83.29787	0.9
85.06535	2.8
88.23938	0.9
90.87600	0.9
91.05483	73.6
91.40314	0.8
93.07047	61.6
95.01326	16.2
95.04975	13.0
95.08608	49.9
97.06540	22.1
97.10184	5.0
99.08099	1.4
103.05461	1.5
105.04524	3.7
105.07035	86.6
107.04291	1.9
107.04965	19.8
107.08598	29.6
107.09309	1.8
109.06521	3.8
109.10149	10.9
111.08102	2.6
113.09664	2.9
115.05468	1.5
116.06205	0.9
117.07025	19.7
119.06106	1.1
119.08585	46.9
121.06506	2.9
121.10152	18.3
123.04462	2.9
123.08090	3.8
123.11737	2.2
125.09641	2.5
128.06287	1.4
129.06998	5.0
130.07751	1.7
130.62137	0.9
131.07594	1.9
131.08574	29.5
133.10138	47.8
135.08051	3.7
135.11694	12.0
137.09607	3.0
139.07561	1.5
139.11145	1.1
141.07048	2.3
143.08582	6.1
144.09286	1.0
145.06487	1.3
145.10135	21.7
147.11690	18.8
149.09618	8.5
149.13274	4.8
151.11197	1.1
155.08560	2.3
157.10191	4.9
159.11674	13.3
161.09637	1.8
161.13239	8.4
163.11166	5.0
163.14845	2.4
165.09082	1.8
169.10158	3.5
171.11713	3.9
173.13271	5.8
175.14876	1.5
177.12781	3.9
179.14322	22.5
183.11664	2.8
187.11203	4.0
187.14899	2.1
191.14439	1.1
195.13759	1.7
197.13300	2.2
205.12245	2.6
215.17944	1.4
219.13826	1.3
219.17465	2.9
223.13341	1.1
229.19499	2.0
239.18033	3.2
247.20648	3.5
257.19049	8.6
261.22171	2.3
275.20071	100.0
276.20459	1.7
293.21115	6.0
304.52127	1.0
335.25943	1.5
349.23828	3.5
355.86276	1.0
609.45178	55.7
610.45496	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	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01865	5.0
55.05512	26.3
57.03437	3.8
57.07057	4.6
58.98371	1.4
65.03937	4.4
67.05506	63.1
69.03406	1.9
69.07067	19.7
71.05022	1.9
71.08293	2.4
71.08640	32.5
71.43467	1.5
71.43800	1.6
77.03915	2.2
79.05494	64.0
81.03406	4.1
81.07056	62.0
83.04991	8.2
83.08624	12.4
85.06535	3.7
91.05484	74.4
93.07046	70.0
95.04970	9.8
95.08607	44.8
97.06528	11.5
97.10168	5.1
99.08089	27.3
103.65247	1.4
105.04533	1.9
105.07034	60.6
107.04955	11.6
107.08599	35.0
109.06541	3.4
109.10168	17.5
111.08084	3.2
113.09647	4.0
115.05448	4.4
117.07026	20.1
119.08579	45.0
121.06519	2.2
121.10146	27.4
123.08061	2.6
123.11679	3.4
125.09649	3.2
127.11189	1.9
128.06223	3.3
129.07008	14.1
130.07802	1.8
131.08571	24.3
133.10135	28.0
135.08080	2.1
135.11690	33.8
137.09619	3.5
137.13332	2.1
141.06982	3.4
141.09116	3.2
142.07788	3.3
143.08556	14.7
145.10114	22.4
147.11687	16.9
149.09628	1.7
149.13286	11.3
151.11182	12.5
155.08562	5.2
155.94000	1.4
157.10141	13.1
159.11688	17.4
159.17303	1.4
161.13251	17.5
163.11230	5.1
163.14832	4.2
165.12782	1.4
167.08597	1.7
167.10713	2.5
169.10143	8.0
171.11708	11.4
173.13309	9.5
175.14818	2.9
177.12764	4.9
179.14322	85.0
181.10152	4.5
183.11713	5.9
185.13242	9.5
187.11183	1.4
187.14793	4.7
189.12761	4.6
189.16516	1.4
195.11635	2.6
197.13268	4.9
199.14879	5.5
207.13832	1.7
211.14876	3.6
213.16364	3.5
217.19597	1.9
221.15340	2.8
225.16496	1.8
227.18016	1.7
231.21062	4.1
235.16985	3.3
237.16415	2.0
239.17865	2.0
241.19548	14.4
251.18092	2.6
259.20584	18.3
275.20032	8.4
277.21652	57.5
278.21896	1.6
280.63333	1.4
295.22775	5.4
297.22217	1.5
304.83624	1.9
315.23190	18.3
333.24240	1.7
351.25156	10.3
437.34097	2.5
483.34503	2.5
515.37616	1.9
517.40521	4.3
535.41504	3.3
591.44379	5.4
609.45123	100.0
610.45178	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	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03949	1.6
55.01864	2.5
55.05514	12.5
57.03431	3.0
57.07060	1.9
65.03939	1.1
67.05508	29.9
69.07076	10.6
74.99606	1.2
79.05500	21.4
81.07059	25.7
83.04990	1.0
83.08619	5.2
85.06551	1.9
91.05484	19.1
93.07045	15.5
94.59789	1.0
95.04974	2.6
95.08614	21.0
97.06511	1.6
97.10197	3.1
99.08096	1.5
105.07035	18.5
107.08595	12.9
109.06537	1.3
109.10175	9.0
115.05437	1.3
117.07008	10.9
119.08591	14.8
121.10143	7.9
122.66247	1.1
123.08036	1.8
123.11674	2.4
125.09626	1.9
128.06250	2.1
129.07021	13.1
129.90675	1.0
131.08583	14.9
133.10139	10.4
135.11717	4.8
137.13148	1.3
141.07018	5.5
142.07817	5.0
143.08560	14.3
145.10129	17.8
147.11697	5.9
149.13264	2.3
154.07820	1.6
155.08559	11.2
157.10139	15.4
159.11713	10.5
161.13277	3.1
165.06987	1.5
167.08585	4.9
168.09354	1.6
169.10155	12.0
170.10841	1.3
171.11682	10.7
171.12700	1.0
173.12000	1.2
173.13277	6.8
175.14824	1.9
179.08650	2.5
179.14308	1.1
180.09488	1.3
181.10178	6.3
182.10985	1.5
183.11720	13.9
185.13264	6.6
187.14809	5.4
193.10164	1.8
195.11725	8.2
197.13293	7.5
199.14882	4.2
201.16379	1.3
202.47784	1.1
207.11763	2.2
209.13278	6.3
211.14810	4.4
213.16455	3.3
217.19316	1.3
221.13370	2.2
223.14923	3.3
225.16391	3.9
227.18111	2.4
229.19679	1.2
233.13188	1.2
235.14880	2.0
237.16461	2.6
239.17969	3.0
249.16447	2.2
251.17981	2.9
253.19572	1.5
271.20483	1.3
275.20160	4.1
283.20392	1.6
304.22244	1.2
321.17374	1.2
337.25366	1.3
351.26974	2.0
365.28268	1.5
377.28677	1.2
449.34125	1.7
499.39609	2.4
503.80658	1.3
517.40509	8.3
535.41925	5.5
540.38074	2.0
566.33478	1.2
591.43988	8.9
609.45172	100.0
610.45294	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	609.4515
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.20510	0.9
53.03945	2.5
55.01872	1.9
55.05506	13.9
56.59205	1.0
57.03435	3.7
57.07069	1.9
64.23192	0.9
65.03932	1.4
67.05512	25.6
69.07069	13.4
69.26375	8.2
75.36063	0.9
79.05070	1.5
79.05499	17.2
81.07063	25.6
83.04994	1.0
83.08621	8.0
85.06546	1.4
89.21188	1.1
91.05480	15.1
93.07050	17.4
95.04994	1.2
95.08612	19.0
97.06524	2.1
97.10149	5.2
99.08099	1.0
105.07037	15.6
105.07690	1.5
107.08606	9.9
109.10172	10.3
115.05482	1.8
117.07022	8.7
119.08588	15.1
121.10151	7.0
123.11707	2.8
125.09618	1.6
128.06233	1.1
129.07021	11.9
130.07805	1.2
131.08582	13.3
133.10129	10.3
135.11717	4.0
137.13292	1.5
139.86813	1.0
141.07007	5.4
142.07780	3.4
143.08571	14.6
145.10121	13.9
147.11703	6.0
149.13344	2.3
153.07016	1.7
154.07750	2.2
155.08554	12.8
156.09270	1.7
157.10155	13.8
159.11720	10.4
161.13272	4.3
165.06981	1.8
167.08574	7.0
168.09430	2.7
169.10118	17.2
170.10938	1.2
171.11700	10.8
173.13271	6.1
175.14790	1.8
179.08562	2.3
181.10112	8.9
182.10938	2.9
183.11694	16.4
184.12180	1.1
185.13289	8.7
187.14844	3.2
189.16484	1.7
193.10184	2.6
195.11737	11.3
195.13516	1.6
197.13235	11.2
199.14883	6.3
201.16457	2.3
205.10146	1.3
207.11769	4.9
209.13242	8.6
211.14883	9.0
213.12813	0.9
213.16405	4.3
215.18227	1.0
217.70023	1.0
220.12308	1.0
221.13280	3.0
222.14136	1.4
223.14818	8.0
225.16466	4.2
227.18059	2.9
233.13275	1.3
235.14940	2.2
237.16464	2.6
239.17947	2.9
241.19716	1.8
249.16499	2.0
251.18011	3.1
253.19603	2.4
255.21046	1.5
263.17972	1.4
265.19608	1.7
267.21246	1.3
277.19748	1.4
281.22626	1.2
283.20551	1.1
293.22845	1.1
309.21927	1.5
321.22299	1.8
323.23828	1.8
327.23248	1.5
335.23764	2.4
337.25269	1.4
339.23224	1.3
341.24738	1.0
349.25394	1.9
351.26782	1.9
379.30341	1.3
393.31818	2.2
419.33334	1.7
447.32617	2.4
449.34030	1.7
461.34247	1.4
499.39432	2.4
517.40326	15.6
535.41699	8.0
538.35437	1.0
539.36981	1.7
553.42542	1.4
565.43024	1.3
573.42896	2.7
591.44122	15.6
609.45135	100.0
610.45514	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	609.4512
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.96494	0.9
51.02375	1.0
52.67123	0.8
53.03934	2.0
55.05512	17.1
55.64230	0.9
56.64453	1.0
57.03434	4.1
57.07061	3.1
65.03933	1.5
67.05508	27.2
69.03410	1.0
69.07067	13.8
70.09409	4.1
71.04972	1.1
79.05494	15.8
79.14826	1.1
81.07058	26.3
83.04979	1.3
83.08623	7.6
85.06551	1.9
91.05482	16.0
93.06483	1.6
93.07043	19.4
95.04972	1.7
95.08611	23.6
95.09181	1.9
97.06519	2.5
97.10149	4.8
99.08054	1.6
103.05451	1.0
105.07030	16.3
107.08602	12.9
109.10174	10.9
111.08105	1.9
115.05382	0.9
117.07025	8.2
119.07784	1.8
119.08584	16.8
119.09371	1.5
121.10162	9.2
123.08099	1.1
123.11717	2.4
125.09614	1.8
128.06248	3.8
129.07016	12.5
130.07780	1.4
131.08572	15.6
131.45943	0.9
133.10130	10.6
135.11736	4.1
141.06998	6.5
142.07787	4.1
143.08569	14.3
144.09329	1.2
145.10130	15.9
147.11729	6.0
149.13245	3.1
153.06987	1.9
154.07808	2.5
155.08566	14.7
155.09727	1.7
156.09367	2.7
157.10141	14.4
159.11690	10.0
161.13290	3.9
165.07072	1.3
167.08566	5.5
168.09346	2.3
169.10138	18.5
171.11694	13.8
173.13281	6.5
175.14824	1.6
177.16415	1.2
179.08566	3.2
181.10101	9.3
182.10878	2.7
183.11700	17.1
184.12363	1.4
185.13266	10.4
187.14845	4.1
189.16325	1.2
193.10170	4.0
195.11699	11.2
196.12453	1.0
197.13290	11.6
199.14825	9.1
201.16382	1.8
205.10155	1.4
207.11705	4.5
209.13268	9.7
211.14799	6.3
213.16438	5.1
215.18057	1.5
219.11763	1.4
221.13269	2.5
223.14804	7.3
225.16388	5.2
227.18027	3.4
235.14807	2.5
237.16402	5.4
239.18021	3.5
243.72496	1.1
247.14879	1.5
249.16513	1.8
251.17995	3.1
253.19649	1.7
255.21278	1.3
265.19324	2.4
279.21167	1.8
295.20395	1.4
297.18964	1.0
297.22119	1.4
311.20099	1.0
311.23749	1.5
321.22281	1.0
323.23737	2.1
337.25259	2.5
339.26868	1.3
349.25244	1.8
351.26782	2.3
363.26910	1.8
365.28589	1.7
367.26154	1.3
379.29999	1.9
395.29523	1.2
447.32806	2.2
449.34311	1.3
461.33630	1.0
499.39459	2.8
501.35837	1.1
517.40472	15.6
533.24915	0.9
535.41412	6.9
539.37299	1.3
591.44104	15.3
609.45148	100.0
610.45313	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	609.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
54.27282	0.3
55.01875	2.3
55.05514	4.4
55.88538	0.3
57.03445	0.6
57.07066	0.9
57.64780	0.3
59.37545	0.3
65.03946	1.0
65.17349	0.3
67.05509	12.0
67.05872	0.6
69.03424	0.5
69.07070	6.1
69.43236	2.6
71.08611	0.7
74.38393	0.3
79.05497	10.2
81.03436	0.8
81.07064	10.3
83.04994	1.0
83.08633	1.9
85.06552	0.6
89.06054	0.8
91.05484	8.2
93.07052	9.7
95.01346	0.6
95.04983	2.8
95.08618	7.4
95.09192	0.7
96.05299	0.4
97.06541	2.7
97.10187	1.4
98.20693	0.3
99.08074	0.6
105.04528	0.5
105.07038	7.1
105.07695	0.6
107.04960	2.0
107.08603	5.6
109.06538	0.6
109.10159	2.8
109.16688	0.4
111.08105	0.8
115.05423	0.6
117.07034	3.5
119.08581	5.5
121.06525	0.7
121.10142	3.4
123.08044	0.6
123.11698	0.9
125.09653	0.7
127.41194	0.3
128.06262	0.7
129.07022	2.7
131.08589	4.9
133.10144	4.9
135.11696	2.4
137.09628	0.6
141.06989	1.2
142.07819	0.5
143.08580	2.8
145.10136	4.2
147.11700	2.9
149.09647	2.0
149.13290	1.0
151.11198	0.7
155.08563	2.3
157.10120	2.6
159.11697	3.8
161.13336	1.3
163.11154	1.9
163.14861	0.5
165.09120	0.4
167.08658	1.2
168.09412	0.5
169.10147	2.6
171.11742	2.3
173.13292	1.2
175.14828	0.7
177.12715	0.6
179.14342	1.4
181.10124	1.2
183.11691	3.0
185.13295	1.5
187.14879	1.0
195.11751	1.3
197.13326	1.9
199.14861	1.6
201.16428	0.7
205.12289	0.4
207.11652	0.5
209.13237	1.2
211.14812	0.8
213.16467	0.7
221.13364	0.4
223.12335	0.7
223.14845	0.8
225.16495	0.9
227.18190	0.5
229.19820	0.5
237.14001	0.6
237.16386	1.0
239.15732	0.4
239.18018	0.8
241.19659	0.5
243.21129	0.6
251.15630	0.4
251.17986	0.4
257.19061	1.0
259.20679	0.7
261.22131	0.6
265.19577	0.6
273.18585	0.7
274.18729	0.7
275.20068	6.2
293.20984	0.7
299.19775	0.5
317.24533	0.4
335.25931	0.7
351.26730	0.5
376.17517	0.5
377.17682	1.1
378.18640	0.4
389.18329	0.7
390.18365	1.2
391.19241	2.8
392.20227	1.7
393.20728	0.5
400.17084	0.5
401.17542	0.8
402.19458	0.4
403.19739	0.7
404.20682	0.5
405.20911	3.2
406.21509	2.0
407.22189	2.5
414.18744	0.5
415.19028	1.8
416.20499	0.4
419.17947	0.9
419.22638	1.1
420.23322	0.5
421.23947	3.6
422.25113	0.8
427.19757	0.5
429.20938	2.1
430.21970	1.1
431.18268	0.7
431.23206	0.7
432.19489	1.0
433.20349	1.3
433.25024	0.7
442.22061	0.5
443.22958	0.9
444.23550	0.8
445.20508	1.5
446.21771	0.6
447.17282	2.5
448.18994	0.6
449.23596	1.0
457.23938	1.3
459.22363	1.9
460.22739	1.4
461.18988	4.8
462.20227	2.6
463.20886	1.8
465.22693	0.5
469.24130	0.5
472.22647	1.2
473.19366	0.9
474.20465	1.3
475.21143	8.6
476.21866	6.1
477.22430	4.6
478.23779	0.7
479.24554	0.6
485.23831	4.9
486.20190	2.7
487.25851	0.8
488.22321	0.7
489.22989	5.4
493.21875	0.8
494.26755	1.3
497.23492	0.5
499.21417	5.0
500.22278	1.5
501.23187	0.5
503.24670	7.0
504.21414	0.9
505.22275	0.7
507.23645	1.2
513.22809	1.1
515.24396	5.6
517.22498	2.1
517.40167	2.1
518.23242	0.6
521.26270	3.3
531.23987	9.4
532.24036	0.5
533.25824	0.4
535.23450	0.8
535.41449	1.4
541.22693	0.5
548.24475	0.5
549.25000	2.1
550.25714	4.1
553.42462	0.5
559.23486	6.4
563.26532	1.4
577.24323	2.3
591.16534	0.8
591.26019	14.6
591.44482	1.6
592.26398	0.4
609.27130	100.0
609.44513	22.4
610.27161	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	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03945	0.9
53.36190	0.3
55.01865	0.7
55.05504	2.1
57.03408	0.5
57.46962	0.4
67.05514	7.4
67.22878	0.5
69.07069	2.8
69.31475	1.8
69.31907	1.6
79.05496	7.2
81.07064	6.4
83.08611	1.1
85.06574	0.5
91.05489	5.5
93.07060	5.9
95.04988	0.7
95.08604	4.3
97.06541	1.2
97.10204	0.6
105.07048	5.4
107.04985	0.4
107.08605	3.3
109.06527	0.6
109.10168	2.2
109.74667	0.4
116.24370	0.4
117.07040	2.9
119.08604	4.1
121.10126	2.4
123.08070	0.4
125.09665	0.4
128.06245	0.4
129.06979	1.5
131.08586	3.4
133.10123	3.6
135.07977	0.4
135.11716	1.4
141.06984	0.8
143.08589	1.6
145.10126	4.3
147.11703	2.0
149.09674	1.2
149.13255	0.7
151.11168	0.4
155.08549	0.9
157.10144	1.1
159.11722	2.0
161.09682	0.4
161.13303	0.8
163.11226	1.1
163.14917	0.6
169.10204	1.2
170.08377	0.4
171.11769	1.1
173.13277	1.6
179.14381	0.5
181.10095	0.5
183.11659	1.0
185.13292	1.0
195.11713	0.5
197.13274	0.6
209.13326	0.5
237.13869	0.4
239.15549	0.5
239.18092	1.0
257.19073	2.3
261.22180	0.6
275.20123	5.9
291.67822	0.4
331.22916	0.6
335.25952	1.2
361.14908	0.5
376.17136	1.0
377.17828	1.6
378.18759	0.5
389.18442	0.5
390.18542	1.3
391.19193	3.0
392.19925	1.5
400.16714	0.8
401.17969	0.8
402.19131	0.6
403.20016	1.1
404.15604	0.5
404.20544	0.7
405.21060	3.6
406.21570	2.1
407.22281	3.1
414.18649	0.6
415.19351	1.9
416.20313	0.7
417.21384	0.6
418.21799	0.9
419.18161	0.9
419.22894	0.9
420.23300	0.8
421.24042	5.0
422.24277	0.8
427.19086	1.1
428.20032	0.9
429.20868	2.6
430.21765	1.9
431.18011	0.9
431.23184	0.7
432.19772	1.3
433.16208	1.1
433.20401	0.7
433.24680	0.8
435.21338	0.5
442.21671	0.7
443.22485	1.3
444.23126	1.4
445.20331	1.5
446.20856	0.6
447.18292	1.8
448.18759	0.8
449.23273	1.6
456.19269	0.5
457.24533	1.9
458.24780	0.8
459.22028	2.2
460.22690	1.4
461.19229	6.9
462.20529	2.4
463.21259	1.4
472.22998	1.2
473.19504	0.8
474.20490	1.3
475.21002	8.6
476.21777	7.2
477.22580	6.0
478.23615	0.8
479.24466	0.7
485.23563	9.7
486.19968	3.2
487.25238	1.2
488.22208	0.9
489.22824	6.3
490.20294	0.5
493.22531	1.3
494.26804	0.8
499.21301	2.6
500.22302	1.5
502.24149	0.6
503.24557	6.6
504.24594	1.4
507.24173	0.7
513.23334	1.4
515.24469	8.1
517.22363	0.9
517.40143	0.8
521.26208	3.5
531.23932	16.8
532.24689	0.8
535.23468	0.9
541.22644	1.1
549.25183	3.0
550.25793	4.0
559.23407	6.9
577.24341	1.4
591.26056	36.2
592.26251	1.4
609.27106	100.0
609.43628	12.3
610.27228	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	609.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55732	0.3
55.05510	0.5
61.73923	0.3
62.53612	0.3
69.87115	1.7
70.06583	0.3
75.32777	0.3
79.05482	0.4
81.07055	0.7
84.95397	0.3
95.08635	0.5
97.02907	0.4
100.11263	0.3
107.08585	0.5
117.50204	0.3
119.08542	0.4
121.10154	0.4
123.04448	0.6
151.03870	0.5
167.07033	0.4
177.05353	0.4
189.05188	0.5
193.88225	0.3
247.40309	0.3
297.07678	0.3
363.12204	0.7
365.08167	0.3
367.11542	1.7
379.11459	1.4
381.13281	0.9
382.13770	2.1
394.13831	2.2
397.12595	3.8
411.14236	0.8
412.14935	6.5
413.15750	1.1
425.15924	0.5
432.57483	0.4
546.40424	0.4
561.21057	0.6
579.22192	1.4
609.23059	100.0
610.23438	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	609.1816
Annotation	Diosmin 
Peak:m/z	Relative Intensity
50.38905	0.2
57.03420	0.7
57.38604	0.2
61.92223	0.2
69.86514	0.7
71.04996	3.6
75.04477	0.3
85.02905	4.2
87.04436	0.2
111.04446	0.2
129.05458	0.9
149.05989	0.3
153.01840	0.6
198.42731	0.2
245.40668	0.2
258.05237	8.8
259.05533	0.2
266.59106	0.2
286.04724	28.8
287.05063	0.3
301.07068	100.0
302.07382	1.0
391.46161	0.2
463.12375	15.2
464.12704	0.3
478.51822	0.2
609.25348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	14.4
53.24059	3.7
55.01875	9.1
55.05518	33.1
56.05843	4.3
57.03426	13.1
65.03944	3.5
67.05184	6.2
67.05508	97.2
68.05827	6.9
69.03413	7.6
69.07071	45.2
69.25819	38.1
71.04973	6.0
79.05084	5.8
79.05500	93.1
80.05841	6.8
81.03416	38.1
81.06594	5.6
81.07057	100.0
82.07374	11.6
83.04969	15.5
83.08623	23.6
85.02907	5.7
85.06537	5.0
87.10838	4.5
91.05483	84.7
92.05809	7.6
93.07047	85.6
94.07354	16.1
95.04964	17.0
95.08613	40.3
96.08920	7.1
97.02937	4.6
97.06531	16.4
97.10143	4.8
99.08104	6.7
105.06396	5.3
105.07044	59.0
105.07704	7.5
106.07411	5.1
107.04951	12.0
107.08590	40.0
108.08926	6.5
109.02888	5.7
109.10163	10.2
111.04443	5.5
111.08077	4.6
117.07028	20.4
118.07302	4.5
119.08594	42.5
120.08875	4.3
121.10120	19.7
123.11736	6.8
129.07037	18.9
131.08580	27.8
132.08856	7.0
133.10106	24.6
135.11676	12.5
143.08560	9.5
145.10147	22.9
147.08061	5.2
147.11711	25.5
149.09651	6.6
149.13248	14.3
154.07784	4.9
155.08543	10.2
156.09453	4.4
157.10106	12.1
159.11699	19.6
160.12007	5.3
161.13246	11.0
163.11264	5.2
167.08589	5.0
169.10100	8.9
171.11725	21.3
179.14502	6.1
181.10181	6.4
183.11639	4.4
185.13263	5.7
189.12744	8.6
195.11780	6.2
195.13838	10.3
197.13339	4.7
207.11896	5.3
207.13820	11.4
255.15906	3.9
257.19073	6.7
269.17444	17.8
275.20090	14.9
281.17462	34.2
285.68884	3.9
322.80133	3.9
339.17834	4.3
349.23950	7.9
396.21271	4.3
399.04037	4.3
399.59341	4.2
426.06821	4.3
446.30066	5.5
461.28818	12.2
475.30533	55.9
516.38757	5.5
534.40027	7.2
555.36932	10.6
608.34686	38.6
608.43842	64.1
609.45679	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	608.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.2
55.01868	13.1
55.05512	38.0
57.03432	10.4
57.07060	4.0
65.03939	6.5
67.05511	100.0
68.05834	11.1
69.03435	8.4
69.06776	3.5
69.07076	36.1
69.29118	29.8
71.04980	11.2
75.22334	3.5
77.36322	3.5
79.05074	6.6
79.05502	90.0
80.05827	11.2
81.03428	43.8
81.07064	90.2
82.03745	6.2
82.07375	12.2
83.04983	17.9
83.08614	15.3
85.02896	3.7
85.06546	5.0
91.05489	79.8
91.18922	3.9
92.05821	11.1
93.07055	86.3
94.07403	8.5
95.04973	21.5
95.08604	49.1
96.08936	10.8
97.02872	4.5
97.06532	17.6
97.10175	8.3
98.06914	4.2
98.21455	8.2
99.20689	3.6
105.07041	63.9
106.07355	8.5
107.04929	11.3
107.08615	36.8
108.08944	6.6
109.02876	4.5
109.06496	8.2
109.10129	11.2
111.04408	4.7
111.08094	5.7
112.08367	4.3
115.05465	4.5
117.07037	27.2
118.07347	8.0
119.08604	38.3
120.08894	7.7
121.10137	21.7
122.10430	4.0
123.11710	6.6
127.03914	5.7
128.06221	4.1
129.07025	17.1
130.07350	4.5
131.08580	23.8
132.08928	8.7
133.10159	34.0
135.11708	10.6
141.06996	5.5
142.07697	4.3
143.08551	12.6
145.10129	22.4
147.11740	21.7
149.09633	4.5
149.13277	12.9
150.13591	7.3
151.11119	4.1
155.08543	7.7
157.10135	8.8
159.11699	16.8
160.12062	5.9
161.13280	8.8
163.11269	6.7
167.08521	6.6
169.10059	10.0
170.10548	3.6
171.11690	19.7
172.11995	4.4
173.13321	7.4
177.12694	5.1
179.14323	3.7
181.10173	6.8
183.11693	8.9
185.13356	5.4
189.12695	8.5
195.13800	8.4
197.13231	7.4
198.13608	3.8
207.13794	13.3
210.13647	6.6
211.14862	4.2
216.49837	3.9
223.14903	6.6
259.53317	4.0
267.15884	4.7
269.17453	12.7
275.20078	23.6
276.20505	4.6
281.17511	31.8
313.21423	3.4
339.18082	5.3
340.18546	5.6
349.23813	4.5
357.53394	3.9
456.28485	3.5
461.29153	17.8
464.31036	4.9
475.30652	47.7
516.38879	6.4
534.39789	6.9
547.25153	4.2
555.36975	8.1
590.34064	6.2
590.42554	8.4
608.34808	44.0
608.43707	78.6
609.44812	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	608.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01880	13.7
55.05270	2.5
55.05513	29.3
56.02192	2.0
56.05828	4.9
56.36663	1.5
57.03424	6.7
57.07077	2.9
65.03928	6.7
67.05508	66.9
68.05836	10.4
69.03409	2.0
69.07071	44.2
70.07384	7.0
71.04996	3.3
71.08627	2.4
71.51900	1.7
77.03924	3.2
79.05498	75.7
80.05838	11.7
81.03439	10.3
81.07060	75.9
82.07400	9.9
83.04983	12.1
83.08613	11.1
84.08931	1.7
85.06533	4.6
91.05486	100.0
92.05809	16.1
93.07048	64.2
94.07361	9.3
94.54612	1.8
95.01323	8.0
95.04979	17.3
95.08612	50.5
96.01639	1.6
96.05304	2.4
96.08929	7.3
97.06530	17.1
97.10165	4.2
98.06857	2.7
99.08099	3.3
103.05492	4.4
105.04541	3.3
105.07037	99.6
106.07362	21.8
107.04957	22.1
107.08592	31.3
108.05273	2.8
108.08925	4.6
109.06514	6.9
109.07244	1.6
109.10168	12.1
109.37364	1.5
109.87862	1.5
110.10474	2.5
111.08091	3.8
113.09631	2.3
115.05456	4.1
117.07021	27.2
117.07835	1.7
118.07350	6.7
119.08592	63.0
120.08931	14.4
121.06494	2.9
121.10149	12.7
123.04446	2.4
123.08089	4.9
123.11694	2.8
125.09604	3.4
128.06250	5.9
129.07021	11.2
130.07338	2.0
131.08588	36.8
131.15251	1.5
132.08868	8.4
133.06508	2.0
133.10138	43.7
134.10471	13.9
135.08061	4.9
135.11662	9.1
136.12006	3.2
137.09647	2.3
141.07016	3.0
142.07762	4.8
143.08589	13.5
144.09038	2.9
145.06485	2.8
145.10130	27.0
146.10463	8.5
147.11699	31.3
148.12039	8.2
149.09613	8.1
149.13284	4.9
155.08507	6.1
156.09088	1.7
157.10155	10.9
158.10529	4.0
159.11678	25.0
160.12021	6.8
161.09590	2.3
161.13293	11.8
162.13542	2.2
163.11174	6.3
164.11418	2.1
167.08553	2.9
169.10152	8.7
170.10544	3.0
171.11710	12.5
172.12047	3.4
173.13303	9.7
174.13647	3.4
175.14909	3.8
177.12819	3.8
178.13214	2.3
179.14345	12.6
180.14680	4.7
181.10196	2.8
182.10629	1.8
183.11725	8.0
184.12099	2.5
185.13245	7.7
186.13600	4.6
187.14751	4.0
189.12831	2.6
193.10178	2.4
195.11777	2.6
197.13254	5.4
198.13680	2.2
199.14862	4.5
205.12259	2.0
207.11826	2.1
207.13794	5.5
209.13254	3.5
210.13612	2.1
211.14696	4.4
212.15315	2.2
219.17503	6.8
220.17773	5.4
223.14838	2.0
231.21091	2.1
237.16370	1.9
239.17848	1.9
240.18344	2.2
241.19565	10.3
242.19833	4.6
247.20560	2.1
257.19028	6.0
258.19391	4.2
259.20615	12.0
260.20963	6.0
262.16776	2.0
275.20062	36.0
276.20435	34.0
279.16101	2.1
281.17450	6.0
293.21042	5.9
294.21478	4.0
315.23239	11.2
316.23572	11.0
333.24326	4.0
349.23788	6.8
350.24142	6.9
404.19626	2.8
420.22845	2.7
430.17868	1.9
432.18716	4.3
446.20535	4.7
447.21222	3.4
448.21948	3.4
475.21210	4.5
476.21588	4.3
516.39319	5.4
520.24420	3.8
534.40210	3.7
539.37097	4.4
548.23712	29.7
552.41138	3.8
573.37665	2.2
577.48688	1.7
580.26556	2.0
590.43152	4.0
608.26062	38.8
608.43854	85.9
609.26538	2.2
609.44971	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	607.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01880	3.4
55.05513	32.9
56.05824	3.1
57.03443	9.0
57.07079	70.9
64.54400	3.0
65.03945	5.6
67.05509	94.9
69.03444	3.5
69.07067	37.6
71.04981	5.3
71.08638	78.4
71.36141	5.3
72.08945	4.3
72.86254	3.1
79.05495	51.8
80.54304	3.3
81.03402	11.2
81.06597	5.4
81.07059	100.0
81.92371	3.3
83.04977	8.4
83.08624	39.4
85.10188	25.5
90.96333	2.9
91.05479	34.9
91.23452	3.0
93.07047	65.9
95.04967	18.7
95.08615	73.4
96.03337	3.1
97.06534	12.8
97.10167	13.3
99.08117	26.1
105.07028	28.5
107.04951	8.8
107.08607	31.0
107.52023	2.8
109.06545	7.2
109.10170	33.3
111.08077	5.0
113.09667	5.4
116.74802	3.3
117.07011	6.1
119.08592	20.7
121.10165	22.2
123.11693	10.7
125.09627	8.4
129.06969	4.0
131.08548	5.6
133.10133	20.9
135.11668	26.0
137.09613	3.2
137.13200	4.2
145.10162	8.1
147.11685	12.1
149.13268	12.8
151.11253	15.4
159.11716	5.3
161.13268	9.7
163.11197	7.4
165.12799	6.5
177.12776	4.6
179.14319	63.9
181.20206	3.6
195.13815	5.0
227.12785	10.2
239.23618	9.7
241.19441	4.0
242.42566	3.5
251.16386	3.2
259.20456	7.9
277.21643	66.8
293.21078	5.1
294.21414	9.8
295.22446	16.9
313.27386	63.0
327.07843	3.5
341.27197	3.4
351.25296	36.0
431.18475	4.9
455.56653	3.3
460.22812	4.2
461.24106	3.2
483.36917	3.3
507.40546	55.5
547.27277	6.7
589.48236	65.6
607.29474	33.1
607.49438	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	607.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30844	0.8
53.03946	2.3
55.01861	3.4
55.05264	1.4
55.05515	17.2
57.03435	3.7
57.07075	2.4
65.03925	1.9
67.05508	33.5
69.03429	1.7
69.07072	15.0
71.04996	2.3
79.05499	24.6
81.03442	4.0
81.07060	30.5
83.04983	4.0
83.08621	7.3
85.06560	2.8
91.05482	26.7
93.07056	24.7
93.07648	1.6
95.04977	2.0
95.08612	22.6
97.02890	1.3
97.06531	4.8
97.10184	3.2
99.08076	1.0
100.16681	0.8
103.05461	0.9
105.04497	1.1
105.07039	20.4
107.04935	1.6
107.08608	15.6
109.02883	1.2
109.06526	3.1
109.10161	9.4
111.04498	1.4
111.08096	1.5
115.05463	2.1
117.07035	10.8
117.44565	0.9
119.08594	15.4
121.06544	1.5
121.10136	8.3
123.08076	1.7
123.11726	3.5
125.09652	2.2
128.06230	3.3
129.07027	10.5
130.07809	0.9
131.08577	11.9
133.06544	1.2
133.10150	12.4
135.08064	2.0
135.11716	6.4
141.06972	6.4
142.06754	0.8
142.07816	3.1
143.08565	12.6
144.09300	1.1
145.10121	12.6
146.00563	0.9
147.11697	7.9
149.09644	2.1
149.13301	3.6
153.06979	2.6
154.07770	1.2
155.08580	12.1
156.09332	1.8
157.10127	12.5
159.11687	10.3
161.13235	4.5
163.11238	2.1
163.14783	0.9
165.07028	3.4
165.12755	1.2
166.07813	1.7
167.08575	8.3
168.09389	2.7
169.10138	16.7
170.11009	1.2
171.11682	9.6
173.09753	1.0
173.13228	6.7
175.11200	1.2
175.14879	1.3
178.07823	1.0
179.08534	5.5
180.09367	1.9
181.10132	13.9
181.11630	1.4
182.10936	2.6
183.11700	13.6
185.13239	8.1
187.11224	1.1
187.14844	3.5
189.12750	0.9
192.09355	1.3
193.10156	6.8
194.10924	1.3
195.11703	13.3
196.12486	1.4
197.13271	11.0
199.14778	3.9
201.16354	1.4
205.10188	1.7
206.10968	0.9
207.11679	6.1
208.12524	1.4
209.13264	12.2
211.14822	5.6
213.16490	2.6
215.18033	1.2
217.10167	1.1
219.11710	3.7
220.12459	1.0
221.13280	5.5
223.14832	7.4
225.16374	4.7
227.18069	1.6
231.11697	1.0
233.13303	3.5
233.19026	1.2
235.14844	5.5
237.12709	1.2
237.16397	3.9
239.17976	3.9
247.14908	2.4
249.16412	3.7
251.18144	3.9
253.19662	1.4
257.19046	1.0
261.16446	1.0
263.17953	2.0
265.19553	2.7
273.18585	1.2
275.17685	1.3
275.20322	4.3
277.19406	1.1
279.21143	1.6
291.21216	0.9
303.21115	1.8
307.20523	0.9
321.21921	1.0
323.23807	1.2
325.21704	1.1
335.23813	1.5
339.18137	1.0
339.23056	1.1
347.23749	1.2
349.25348	2.7
353.24823	1.9
363.26910	3.0
365.28748	1.1
377.28876	1.2
389.28217	1.8
391.30167	2.0
403.30203	1.1
419.29156	1.1
420.11960	0.9
421.31003	1.5
445.30246	2.5
473.34586	1.3
495.34525	1.3
497.37717	2.3
515.38879	12.6
533.39917	7.6
538.36395	1.4
551.41425	5.5
571.41449	1.3
589.42731	6.3
607.35382	4.8
607.43585	100.0
608.44171	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	607.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03941	2.7
55.01863	3.5
55.05514	16.2
57.03427	3.1
57.07063	1.7
59.04988	1.0
65.03948	2.1
67.05505	26.7
68.05823	0.9
69.03426	1.1
69.06684	0.9
69.07070	15.5
70.75718	2.4
71.05001	2.3
73.34480	0.8
79.05495	23.5
81.03421	1.7
81.07059	27.6
83.04993	2.2
83.08621	7.1
85.06525	1.2
91.05486	21.4
93.07043	21.0
93.44551	0.8
95.04974	3.0
95.08609	23.5
95.09174	1.6
97.06533	3.0
97.10166	4.3
99.08093	1.3
105.07030	19.2
107.04996	1.5
107.08604	11.6
109.06533	1.7
109.10136	9.2
111.08078	1.8
115.05492	1.0
117.07027	9.3
119.08585	16.6
121.10156	6.3
123.08060	1.1
123.11709	2.6
125.09634	1.4
128.06245	3.0
129.07021	10.7
131.08574	14.7
133.10147	10.0
135.11691	3.8
137.09662	1.3
137.13374	0.8
141.07008	7.8
142.07828	3.3
143.08574	11.9
144.09471	0.9
145.06529	0.9
145.10133	15.0
147.08028	1.2
147.11688	6.1
149.09576	1.6
149.13271	3.2
151.11148	0.9
153.06979	2.3
154.07788	2.1
155.08572	14.8
156.09335	1.3
157.10150	11.8
159.11710	8.3
161.13298	2.4
161.29225	0.8
163.11247	1.1
163.14882	0.9
165.07019	3.4
166.07837	2.4
166.26630	0.7
167.08572	9.8
168.09386	3.1
169.10124	17.9
170.10880	1.1
171.11685	10.8
173.13254	4.8
179.08598	5.7
179.14349	0.9
180.09392	3.7
181.10133	12.1
181.11597	0.9
182.10898	1.9
183.11710	13.4
185.09697	1.2
185.13281	6.7
187.14842	2.8
191.08583	0.9
192.09377	1.6
193.10150	7.6
194.10959	2.4
195.11719	15.7
196.12480	1.0
197.09813	0.8
197.13261	10.0
199.14880	3.9
201.16498	1.0
205.10219	2.8
206.10930	1.6
207.11717	8.1
208.12422	1.5
209.13251	12.8
210.14108	1.5
211.14777	6.5
213.16460	2.3
219.11668	2.7
220.12442	1.2
221.13268	7.2
223.14799	7.8
225.12790	0.9
225.16385	3.7
226.17082	1.1
227.18164	1.9
233.13362	3.9
234.13976	1.1
235.14851	5.0
236.15491	0.9
237.16379	7.1
239.18015	3.8
245.13197	1.6
247.14908	2.9
249.16525	4.4
251.18024	3.7
253.19695	1.4
257.19077	1.1
259.20764	0.8
261.16501	0.8
263.17993	3.2
265.19504	2.4
275.20276	4.1
277.19647	2.4
279.21048	1.4
291.17911	1.0
291.21024	1.6
294.61575	0.8
305.19046	1.5
307.20715	1.4
309.22113	1.6
315.23294	1.1
319.20517	1.1
321.22073	1.8
335.23767	2.1
339.23215	1.4
349.25168	1.3
361.25214	1.7
363.26877	2.4
365.28574	1.8
367.26184	0.9
391.30280	1.7
409.31287	1.0
445.31165	1.6
477.33118	1.0
495.34491	1.4
497.37741	1.9
515.38947	12.4
533.39917	9.2
537.35712	1.4
538.36823	1.1
551.40814	3.0
571.41632	2.0
589.42407	8.1
607.43567	100.0
608.43945	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	607.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.9
53.08472	1.5
55.01881	6.6
55.05514	30.8
57.03442	10.9
65.03944	4.3
67.05508	79.2
69.03432	24.5
69.07069	23.4
70.16666	6.5
71.01358	1.6
71.05011	9.0
77.03936	2.4
79.05499	62.5
81.03423	80.1
81.07063	100.0
83.04984	19.8
83.08626	18.6
85.02916	9.6
85.06568	5.3
87.02072	1.4
91.04919	2.1
91.05073	1.3
91.05487	51.0
93.07049	67.0
93.07642	3.3
95.04986	12.4
95.08063	1.1
95.08617	33.5
97.02900	15.1
97.06533	13.9
97.10197	4.1
98.21612	1.9
99.04453	5.4
99.08096	2.0
105.04555	2.2
105.07040	26.7
107.04973	6.3
107.08604	34.5
107.09309	2.4
109.02883	13.2
109.06518	7.8
109.10149	6.3
111.04475	11.3
111.08114	5.9
115.05505	3.1
117.07005	17.7
119.08582	16.9
121.06531	6.5
121.10139	19.3
123.04419	2.2
123.08092	3.1
123.11744	7.0
125.09651	1.9
127.03912	8.9
129.07030	5.1
131.04932	2.4
131.08588	18.3
133.06502	4.5
133.10136	19.0
133.73099	1.4
135.08052	5.6
135.11729	10.8
137.05997	1.8
137.09578	2.1
141.07027	2.7
143.08601	3.8
145.06544	4.0
145.10164	5.7
147.08058	2.9
147.11694	14.9
149.09647	3.7
149.13284	24.2
151.11208	2.4
155.08560	4.0
157.10152	5.9
159.08066	1.8
159.11693	17.2
161.09630	2.1
163.11263	1.7
165.12787	5.6
169.10193	2.2
171.08096	2.2
171.11743	3.1
173.04510	5.7
173.13281	2.7
175.07571	1.4
175.11243	2.2
177.12785	9.0
181.25301	1.3
183.06587	3.0
183.11742	1.9
185.13319	2.7
193.12212	2.0
195.13795	20.7
197.45853	1.4
201.12746	1.9
213.14908	5.2
219.13850	3.0
241.39935	1.5
257.15399	2.0
261.15018	2.7
267.15976	8.8
269.17480	14.7
275.16425	2.9
285.17148	1.9
303.16025	4.2
311.18317	2.3
321.17114	4.9
339.18018	15.5
343.26416	1.8
371.25916	2.7
377.19553	4.4
395.20700	14.1
402.22110	2.2
412.21417	1.5
445.29547	6.8
463.30521	12.1
487.30725	2.3
544.04840	1.6
589.33862	5.4
607.34827	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16659	1.1
51.02389	1.8
53.03952	12.8
55.01866	5.8
55.05270	1.8
55.05514	23.1
57.03434	7.8
57.07064	2.8
65.03933	5.2
66.48983	1.3
67.05508	75.0
69.03436	19.8
69.07072	21.1
71.05008	7.2
71.05312	1.4
71.09969	3.4
73.00551	1.1
77.03894	1.5
78.23774	1.3
79.05499	53.2
81.03423	73.7
81.07061	100.0
83.04984	18.7
83.08624	14.2
83.75536	1.1
85.02917	8.6
85.06538	5.7
91.04913	1.5
91.05487	42.5
93.07052	59.5
93.07641	3.1
95.04964	12.3
95.08613	24.7
96.85091	1.2
97.02895	12.9
97.06536	11.4
97.10155	1.9
99.04482	6.1
99.08070	2.3
103.05473	1.7
105.04540	2.3
105.06391	2.3
105.07035	26.7
107.04951	4.5
107.08600	34.1
109.02887	12.6
109.06512	5.5
109.10164	5.2
111.04446	8.8
111.08084	7.9
113.06015	1.2
115.05502	2.2
117.07028	12.0
117.24010	1.2
119.08598	12.7
121.06503	5.4
121.10148	20.0
123.04422	1.9
123.08124	2.5
123.11705	6.2
127.03932	9.2
127.07615	1.8
129.07025	4.9
131.04912	1.9
131.08594	16.3
133.06523	3.2
133.10132	13.6
135.04369	1.9
135.08092	4.5
135.11716	11.0
137.06010	1.7
141.06955	2.0
143.08548	3.3
145.06531	2.0
145.10153	5.1
147.08115	1.4
147.11732	12.3
149.13268	23.5
151.11304	1.4
153.09032	1.4
155.08594	2.9
157.06517	1.4
157.10159	4.9
159.11702	12.5
165.12756	3.5
169.10283	1.8
171.11652	1.5
173.04530	2.6
175.11258	2.4
177.12802	10.0
183.06529	2.7
183.11647	1.9
185.13313	1.5
195.13826	22.7
213.14941	4.1
219.13951	1.8
232.36345	1.3
249.14827	1.8
253.31364	1.3
261.15039	2.3
267.15973	5.3
269.17520	11.1
275.16443	1.4
297.17136	2.3
303.15823	3.4
321.17004	4.6
339.18060	14.6
353.24979	1.6
377.19531	3.0
395.20712	11.3
445.29456	7.5
463.30478	11.4
571.32855	2.2
589.33734	4.6
607.34802	89.4
608.34967	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	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.3
55.01874	11.4
55.05513	30.9
57.03439	11.3
57.07082	2.5
65.03931	6.2
67.05508	80.0
69.03425	11.9
69.07071	34.7
71.04976	6.1
71.51565	1.4
74.37804	1.5
75.53789	1.4
77.03928	2.2
79.05499	55.6
81.03424	43.0
81.07060	100.0
82.86263	1.5
83.04977	14.3
83.08628	17.6
85.02924	3.3
85.06541	5.8
91.04904	2.4
91.05484	60.4
93.07048	63.1
93.07637	3.1
95.01341	3.5
95.04976	12.5
95.08615	48.5
97.02901	7.5
97.06535	15.6
97.10184	5.5
99.04453	3.9
99.08095	2.7
103.05465	2.1
105.07032	47.7
106.66068	1.7
107.04942	7.7
107.08595	34.3
109.02877	8.4
109.06512	5.6
109.10153	11.4
111.04447	8.1
111.08089	6.3
115.05457	4.1
116.06259	1.7
117.07012	25.3
119.08593	28.2
121.06510	4.5
121.10149	20.9
123.04391	2.1
123.08069	3.4
123.11716	8.2
125.09605	3.7
127.03894	6.0
128.06210	3.9
128.93840	1.6
129.05544	1.7
129.07013	13.8
130.07739	2.0
131.04858	1.5
131.08578	29.7
133.06451	2.9
133.10139	28.6
135.08084	3.5
135.11697	11.1
137.09641	2.5
141.06995	6.3
142.07788	4.9
143.08588	17.7
145.06494	1.8
145.10114	22.2
147.08087	1.7
147.11690	21.4
149.09624	3.2
149.13260	20.4
154.07768	2.4
155.08585	14.4
157.10130	15.2
159.11710	23.1
161.13278	5.2
165.07007	4.0
165.12791	3.2
167.08525	7.7
169.10127	13.8
171.11700	12.8
173.04509	2.4
173.13266	7.7
177.12805	9.3
179.08546	4.7
179.14272	4.9
181.10150	12.9
181.18001	1.7
183.11697	10.4
185.09573	1.7
185.13264	7.4
187.14880	3.2
193.10167	6.0
193.12172	1.8
195.11714	10.2
195.13576	11.6
197.13315	8.0
199.14833	4.9
205.10147	2.9
207.11751	8.3
207.13536	1.8
208.12457	2.5
209.13275	9.8
209.15106	1.8
211.14861	4.2
213.14877	3.8
213.16643	2.0
215.14294	2.0
219.11757	3.3
221.13249	3.8
223.14853	6.4
225.16359	3.4
229.15919	2.0
233.13309	3.5
235.14809	4.4
237.16360	5.2
239.18103	2.7
241.19534	3.5
249.16380	2.3
257.13016	1.7
259.20523	3.6
263.18060	3.2
267.15982	4.6
269.17538	11.7
275.17560	2.0
275.20187	15.0
303.15866	2.1
309.21994	1.8
315.23273	4.9
321.16995	2.7
339.17957	8.6
349.23959	2.0
353.24698	2.5
367.26334	1.7
377.19864	2.5
377.28558	1.8
395.20630	7.0
445.29770	4.9
463.30765	10.6
515.38739	10.4
533.39771	6.8
538.36151	1.9
551.40540	2.1
571.41101	2.4
589.33875	3.6
589.42358	4.0
607.34467	52.6
607.43445	85.3
608.34546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.5
55.01879	8.9
55.05513	32.6
57.03446	10.2
57.07071	3.2
65.03940	6.5
67.05507	82.4
69.03430	14.0
69.07069	34.7
69.32180	10.9
71.04998	7.1
77.03912	2.0
79.05500	61.4
80.67883	1.4
81.03424	46.7
81.07059	100.0
83.04990	12.5
83.08621	16.2
85.02898	4.9
85.06540	5.1
89.81575	1.5
91.04906	2.3
91.05486	62.6
93.07048	63.7
95.01328	2.9
95.04973	13.5
95.08612	44.1
95.39429	1.3
97.02889	10.8
97.06542	15.9
97.10175	6.5
99.04486	3.4
99.08095	4.0
103.05470	2.6
105.04520	2.7
105.07037	55.6
107.04962	10.0
107.08600	38.8
109.02884	10.1
109.06499	7.6
109.10159	12.3
111.04473	7.1
111.08071	7.3
115.05448	3.8
117.07019	25.1
119.05007	1.7
119.08582	36.3
121.06529	6.1
121.10147	20.3
123.08067	3.3
123.11696	8.1
125.09667	3.2
126.93475	1.5
127.03921	6.7
128.06223	4.7
129.07007	13.8
131.08569	26.8
133.06500	1.5
133.10141	25.2
134.26073	1.5
135.08070	3.6
135.11725	12.2
141.06966	7.3
142.07803	4.2
143.08577	17.0
145.06488	3.5
145.10146	19.1
147.08057	2.2
147.11694	18.9
149.09631	4.1
149.13269	19.2
151.11194	3.3
153.06877	1.5
154.07721	2.2
155.08566	12.0
157.10114	10.9
159.08188	2.3
159.11697	22.9
161.09680	2.8
161.13258	6.0
163.11198	2.2
165.07042	2.8
165.12744	4.0
166.07797	2.4
167.08549	8.0
168.09361	2.8
169.10135	14.2
171.11703	11.2
173.04514	2.1
173.13271	6.5
177.12703	8.4
179.08498	2.9
179.14330	5.3
180.09383	2.5
181.10143	10.6
183.11705	9.9
185.09669	1.7
185.13284	7.9
187.11220	2.4
187.14830	2.7
189.12781	1.6
191.08591	2.1
193.10205	4.1
195.11726	9.6
195.13815	16.1
196.17062	1.4
197.13263	8.7
199.14880	4.3
201.12796	3.0
203.14407	1.7
205.10126	2.4
207.11751	6.5
209.13290	10.3
211.14795	5.5
213.14735	2.6
219.11787	2.5
221.13272	4.2
223.14848	6.3
225.16406	3.2
233.13269	2.7
235.14903	2.7
237.16495	3.5
239.17909	2.2
241.19618	3.3
249.16545	1.8
257.15314	2.3
257.18954	2.2
259.20569	4.0
263.17773	1.7
267.15988	3.3
269.17517	7.6
275.16962	2.6
275.20050	17.2
285.14700	3.0
297.17068	1.8
315.23270	2.2
321.17169	2.2
339.18091	7.7
349.24680	2.7
377.19574	2.0
395.20648	6.8
409.31851	1.7
445.29309	3.9
463.30673	11.2
515.38910	7.2
533.39380	5.6
537.35101	1.6
538.36462	2.3
551.41016	4.0
589.33698	4.9
589.42444	3.5
607.34467	59.1
607.43451	90.7
608.34979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01864	7.0
55.05276	2.7
55.05518	35.3
57.03445	9.5
57.03672	1.6
57.07097	3.8
59.05015	2.0
63.35442	1.7
65.03950	3.8
65.68273	1.8
67.05511	80.4
69.03435	21.3
69.07071	28.9
69.91489	5.1
69.91892	2.4
71.04993	7.5
79.05503	64.9
79.05966	3.4
79.63843	2.0
81.03428	56.4
81.07064	100.0
82.60556	2.1
83.04986	15.0
83.08625	20.4
85.02913	6.4
85.06528	6.1
91.05489	47.6
93.07050	64.2
94.03709	2.1
95.04975	14.2
95.08611	42.4
97.02906	8.8
97.06532	12.2
97.10184	4.6
99.04435	5.5
99.08088	3.7
103.05489	2.9
105.04511	3.3
105.07043	35.0
107.04963	6.7
107.08599	35.7
109.02897	13.5
109.06523	3.6
109.10170	15.0
111.04420	6.6
111.08069	6.2
115.05460	3.1
117.07023	24.1
119.08591	23.3
121.06525	6.5
121.10164	23.7
123.08066	2.5
123.11681	6.8
125.09607	2.3
127.03924	6.4
128.06216	3.5
129.07027	12.9
131.08571	23.3
133.06537	3.2
133.10136	20.7
133.34709	1.9
135.08057	5.3
135.11702	10.0
137.13281	2.7
139.11160	1.9
141.06970	6.9
142.07793	3.9
143.08583	13.8
145.06476	3.1
145.10141	14.9
147.11703	17.3
149.09615	2.6
149.13268	22.0
151.11180	2.4
155.08575	12.6
157.10118	14.0
159.08092	2.5
159.11702	19.2
161.13203	4.5
163.11174	1.9
164.86234	1.6
165.06967	2.5
165.12744	5.1
166.07819	2.6
167.08557	7.2
168.09306	2.5
169.10159	13.5
171.08151	2.0
171.11726	10.7
173.11847	2.0
173.13274	7.2
175.11162	2.9
175.14835	2.2
177.12788	7.6
179.08553	6.2
181.10144	9.7
183.06569	2.5
183.11674	12.4
185.13243	4.6
187.14803	3.6
193.10147	6.6
195.11725	11.6
195.13806	16.2
197.13226	9.3
199.14874	2.2
203.40089	2.0
206.10832	2.2
207.11726	6.1
209.13280	7.4
211.14812	5.6
213.14722	3.4
213.16530	3.2
215.14476	2.2
219.11803	2.4
221.13280	7.1
223.14928	5.6
225.16263	5.0
233.13312	2.9
235.14763	2.6
237.16399	4.5
257.15652	2.5
267.15948	3.9
269.17468	7.9
297.16815	2.3
303.15891	3.8
321.17010	4.2
335.23822	2.5
339.18173	11.1
371.25742	2.8
377.19684	3.9
395.20529	7.4
417.30814	2.1
445.29617	7.2
463.30728	13.7
515.38568	6.9
533.39435	4.9
537.36029	2.4
551.40265	3.7
571.32410	2.3
589.33502	6.8
589.42200	7.3
607.34393	73.8
607.43427	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
61.45543	0.4
65.70008	0.5
69.45794	3.0
127.89450	0.5
194.57489	0.5
208.85390	0.4
209.43275	0.5
387.15982	0.7
388.16925	0.8
389.17667	1.5
400.17856	0.6
401.17981	0.5
402.18521	1.9
403.19119	3.5
404.20163	0.8
405.20914	1.7
415.19690	0.9
416.20190	1.2
417.21213	4.2
418.21548	2.1
419.22516	3.8
429.21194	0.7
430.17273	0.8
431.18204	8.5
432.19409	1.8
432.24326	0.6
433.24030	10.0
434.24893	0.7
444.19064	0.7
445.19727	8.7
446.20792	4.2
447.21771	3.9
458.21176	0.5
459.21439	4.1
460.22562	12.7
461.23376	14.2
465.21194	0.5
473.23590	3.3
474.24109	1.4
477.23666	0.6
487.24966	1.7
488.25748	0.6
489.23026	0.6
491.24985	0.8
505.22751	1.9
515.24225	0.7
519.27234	1.8
532.25061	0.7
547.27069	44.5
548.27655	1.3
557.84021	0.6
575.26501	1.0
579.29785	0.8
607.29150	100.0
608.29803	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	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.13655	0.4
69.34307	1.4
69.34733	2.1
71.67119	0.4
72.27630	0.4
120.55395	0.4
159.24936	0.3
160.86993	0.4
232.17429	0.5
234.72626	0.4
255.08664	0.4
368.40527	0.5
387.16223	0.7
388.16531	0.4
389.17636	1.0
390.19025	0.5
402.18384	0.8
403.19244	3.8
404.20135	1.2
405.20840	1.8
416.20148	0.8
417.16324	0.9
417.21466	3.8
418.21707	1.5
419.22577	3.0
429.21365	0.6
430.18018	1.7
431.18195	7.5
431.23648	0.7
432.19489	1.2
433.19165	0.5
433.24130	6.2
434.24759	0.8
444.23645	0.4
445.19901	8.6
446.20773	3.4
447.21960	3.9
459.21616	3.9
460.22571	8.9
461.23349	9.7
473.23724	2.3
474.24387	0.6
477.23279	0.7
487.25208	0.6
488.26474	0.5
505.21820	2.0
519.23785	1.2
519.27728	1.2
532.24615	0.6
533.24487	0.5
547.27130	22.0
575.25958	0.9
579.29456	1.1
607.29199	100.0
608.29620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
58.08110	0.3
60.39487	0.3
67.05504	0.8
76.61304	0.3
79.05493	0.8
81.07057	0.6
91.05495	0.7
93.07073	0.3
105.07070	0.5
106.50089	0.3
109.10140	0.6
114.26477	0.3
114.91582	0.3
119.08605	0.3
129.62352	0.3
195.09172	0.3
221.10719	0.3
223.12401	0.3
235.12373	0.4
251.11845	0.4
324.11353	0.3
340.14343	0.3
373.15018	0.3
375.16199	0.8
376.17795	0.3
387.16385	0.6
388.16913	1.1
389.17734	2.7
390.18536	1.2
391.19223	1.2
401.13388	0.4
401.18069	0.7
402.14227	0.4
402.18634	0.9
403.14832	0.4
403.19501	4.4
404.20038	2.1
405.20807	3.2
415.19638	0.5
416.15778	1.5
417.16226	4.3
417.21210	2.1
418.17517	0.9
418.22305	0.7
419.17712	0.4
419.22498	5.9
420.23129	1.1
430.17328	0.6
430.22284	0.6
431.18250	7.9
432.19266	3.2
433.20102	4.0
443.18729	0.5
444.19473	0.5
445.20291	6.2
446.21024	7.5
447.21683	8.9
459.17227	0.7
459.22006	1.5
460.18933	0.9
461.19644	1.6
462.24304	0.6
463.20544	0.5
463.25565	0.4
473.18668	0.5
473.24216	1.0
474.20364	4.8
475.21188	4.8
477.22998	0.7
478.23657	1.1
479.24384	0.4
487.21384	1.6
488.22064	0.7
490.23950	0.6
491.19864	2.4
501.22665	1.6
504.21600	0.5
505.22525	0.9
506.22910	0.5
517.22589	0.4
518.22937	0.4
519.24127	15.4
520.24487	0.5
532.21637	0.5
547.23395	11.7
548.23798	0.9
551.26648	0.4
561.24725	0.6
579.26038	6.0
589.24438	0.3
607.25555	100.0
608.25848	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	605.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01880	23.6
55.05516	26.0
57.03445	9.5
57.07080	36.9
59.62212	1.5
65.03938	3.3
67.05508	48.3
69.03412	1.5
69.07074	26.1
69.36838	12.0
71.04979	4.4
71.08633	24.6
74.31103	1.3
75.93000	1.3
79.05497	41.4
81.03415	4.2
81.06593	3.0
81.07061	44.2
82.07378	1.4
83.04977	4.5
83.08154	1.9
83.08626	20.0
85.06545	1.9
85.10190	10.8
87.38276	1.4
89.06026	1.7
91.05486	42.4
93.06477	2.6
93.07043	30.8
95.01325	2.1
95.04954	6.6
95.08607	39.0
95.34581	1.4
97.05939	2.1
97.06536	29.5
97.10183	15.9
105.07035	38.1
107.04297	2.2
107.04964	21.9
107.08598	39.2
109.06506	4.6
109.10162	22.0
111.08078	3.4
115.05459	2.1
117.07036	11.5
119.08584	27.9
121.06493	2.9
121.10155	9.5
123.08067	4.3
123.11708	7.7
125.09646	10.3
129.07002	3.0
131.08554	17.5
133.10136	23.8
135.08041	5.3
135.11661	7.6
137.09590	4.3
137.13255	2.8
143.08539	3.5
145.06572	2.4
145.10110	19.3
147.08012	1.7
147.11694	16.0
149.09636	41.2
149.13257	4.5
151.11174	4.3
153.09113	1.6
157.10098	2.5
159.11728	11.9
161.09682	2.1
161.13329	8.2
163.11205	14.6
165.09041	2.9
169.10155	2.4
171.10156	1.7
171.11598	3.2
173.13277	6.5
175.11218	2.2
177.12712	3.9
179.14304	1.6
183.11656	3.6
187.11145	2.7
189.11201	5.7
197.13335	2.4
205.12332	1.6
227.12787	23.0
229.19432	3.8
239.17903	6.4
239.23645	2.8
247.20517	5.0
257.19049	14.9
257.24814	1.7
275.20071	100.0
276.20355	2.9
293.21158	11.7
313.27377	71.2
314.27646	1.6
331.22580	3.4
348.94296	1.5
349.23779	51.5
349.28122	2.6
409.32950	3.8
483.36557	2.4
491.40887	2.8
587.46649	40.7
605.47998	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	605.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00623	2.0
53.03951	6.2
55.01632	2.7
55.01878	30.4
55.05511	34.0
57.03442	11.4
57.07081	55.4
65.03957	5.7
67.05512	53.8
69.03434	2.7
69.07075	35.6
70.90929	5.2
71.04989	4.4
71.08636	31.0
79.05496	53.3
81.03436	4.0
81.07061	62.7
83.05000	10.8
83.08621	31.8
85.10199	16.4
91.04948	1.8
91.05486	44.0
91.06024	3.4
92.30997	1.9
93.07056	41.5
95.04987	19.5
95.08613	53.8
97.06538	32.4
97.10181	17.4
99.04468	2.9
105.07037	43.4
107.04968	18.8
107.08605	35.3
109.06528	10.6
109.10159	28.3
111.04459	3.8
111.08080	3.9
112.52541	2.1
115.05490	2.2
117.07010	17.3
119.08592	30.1
121.06557	4.3
121.10149	18.0
123.08080	4.2
123.11717	7.5
123.59250	2.2
125.09649	11.3
129.07013	6.2
131.08589	19.4
133.10130	24.0
135.08043	6.4
135.11700	9.0
137.09653	5.5
137.13289	3.9
139.11136	3.2
141.31038	2.3
143.08580	7.1
145.06479	3.3
145.10141	24.2
147.08058	3.5
147.11707	16.9
149.09627	42.2
149.13254	4.5
151.11232	5.0
153.09157	2.2
157.10176	2.5
157.79535	2.1
159.11713	12.4
161.13281	5.3
163.11166	16.5
165.09122	3.0
169.10193	2.9
171.10234	3.5
171.11635	5.4
173.13336	5.4
177.12836	4.4
179.14426	3.0
183.11781	2.9
187.11180	4.2
187.14774	2.3
189.11256	7.9
199.14780	2.6
205.12259	4.0
223.13275	17.3
226.10390	2.6
227.12840	12.5
229.19519	5.7
239.17926	5.5
239.23781	8.0
247.20654	6.8
257.19019	15.8
275.20084	100.0
293.21249	20.3
313.27380	73.7
331.22620	3.5
349.23810	40.1
367.35895	3.5
388.88455	2.3
409.33615	2.5
483.36612	4.2
587.46716	44.9
605.47900	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	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.5
53.03947	5.3
55.01873	9.4
55.05268	2.5
55.05515	32.4
57.03438	8.9
57.07078	47.0
58.60381	1.5
59.02150	1.4
60.62070	1.4
65.03932	4.0
67.05508	72.5
68.23862	1.5
69.03433	5.0
69.06731	2.2
69.07072	29.6
69.75301	8.6
71.04985	4.5
71.08286	2.7
71.08637	30.1
74.35947	1.5
79.05495	39.5
81.03419	4.3
81.07063	100.0
83.04978	7.3
83.08614	24.0
85.06530	4.2
85.09738	1.7
85.10193	18.0
91.05482	44.3
93.07042	38.3
95.04967	11.4
95.08612	61.2
97.06529	14.3
97.10175	7.6
102.03826	1.5
103.05495	2.0
105.04556	1.6
105.07034	43.8
107.04966	13.0
107.08597	26.6
109.06530	10.2
109.10161	32.4
111.08085	4.9
111.11714	2.8
115.05457	1.9
117.07007	10.9
119.08576	37.5
121.06490	4.6
121.10135	17.5
123.08054	6.8
123.11721	11.6
125.09642	3.4
129.07016	2.3
131.08582	16.6
133.10136	24.9
133.43927	1.6
135.08061	7.7
135.11729	8.8
137.09644	5.5
137.13246	2.6
143.08528	3.9
145.10155	14.0
147.11682	19.5
149.09612	14.3
149.13263	7.0
151.11208	4.4
155.08665	1.7
156.09312	2.0
157.10167	4.4
159.11720	11.9
161.13278	4.5
163.11208	10.5
165.12762	6.1
169.10205	2.5
171.11629	3.3
173.11905	1.8
173.13283	5.9
175.11191	2.0
177.12778	2.7
183.11588	2.8
185.13388	2.4
191.14163	1.6
197.13292	1.9
200.49605	1.6
215.18031	1.9
227.12717	3.0
229.19533	3.5
239.17978	5.3
239.23694	6.6
247.20584	5.6
253.14424	3.4
257.19049	10.8
267.15875	4.7
275.20090	73.7
276.20380	2.8
293.21066	11.8
313.21661	2.2
313.27377	51.0
331.22870	2.2
349.23782	28.8
447.17175	1.6
451.71063	1.7
493.39197	7.5
507.40454	7.4
587.46924	18.2
605.38879	2.2
605.47809	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	605.478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34617	1.9
53.03938	6.5
55.01879	15.3
55.05518	31.8
57.03425	7.7
57.07082	66.0
59.24864	2.0
59.29351	1.7
60.73496	2.2
62.89120	1.8
65.03938	3.1
67.05511	83.9
69.03436	2.8
69.07075	36.1
69.16732	22.2
71.04992	4.6
71.08640	41.2
75.37170	2.3
79.05499	53.3
81.03413	3.3
81.07065	90.2
83.04975	6.9
83.08620	21.0
85.06557	3.5
85.10178	18.3
88.51839	1.6
91.05490	43.4
93.06496	2.2
93.07053	36.5
95.04948	9.2
95.08616	61.2
97.06545	25.7
97.10179	14.6
99.08070	2.7
105.07037	39.4
107.04958	19.3
107.08598	31.7
109.06539	12.5
109.10160	28.8
111.08048	3.0
117.07027	11.6
119.08589	31.4
121.06495	7.2
121.10143	21.4
123.08063	6.5
123.11744	10.4
125.09637	6.9
129.07021	4.5
130.07735	2.1
131.08568	16.9
133.10143	20.0
135.08052	7.7
135.11691	8.5
137.09586	3.5
137.13266	2.2
139.11221	2.9
141.07036	3.7
143.08553	5.7
145.10124	19.3
147.08043	2.8
147.10643	2.6
147.11699	22.5
149.09630	30.4
149.13229	3.7
151.11142	4.2
155.08542	3.5
157.10104	8.1
159.11700	10.9
161.09677	2.6
161.13272	5.5
163.11180	14.6
165.09019	2.6
165.12790	4.5
169.10228	2.2
171.11710	5.8
171.89931	2.0
173.13266	8.8
177.12668	3.6
183.11723	3.9
187.11186	2.6
189.11189	4.7
197.13295	2.4
199.14708	2.3
227.12794	9.3
229.19576	4.7
236.25772	1.9
239.17926	6.2
239.23697	7.3
247.20598	8.6
257.19064	15.4
275.20087	100.0
293.21088	10.6
309.21530	2.3
313.27390	63.5
349.23749	39.7
367.24997	2.1
491.25232	2.2
499.98959	2.0
507.40533	2.3
587.46844	35.5
605.48553	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.8
55.01875	17.0
55.05513	40.0
57.03436	6.6
57.07079	58.2
65.03947	4.2
67.05508	80.3
69.03460	3.0
69.07070	34.6
69.19332	17.7
71.04999	4.1
71.08635	37.4
79.05499	52.0
79.05975	2.6
81.03426	3.5
81.07062	100.0
83.04976	6.3
83.08620	23.7
85.06544	4.4
85.10179	19.2
91.05485	45.4
91.06026	3.4
93.07043	45.0
95.04961	10.6
95.08611	66.8
97.06532	21.5
97.10155	13.4
99.08089	2.1
100.23766	2.0
103.05414	2.2
105.04515	1.7
105.07037	48.8
107.04980	16.9
107.08603	35.7
109.06535	13.9
109.10161	30.0
111.08092	5.3
117.07023	11.5
119.07805	2.8
119.08595	34.0
121.06427	3.9
121.10152	22.0
123.08082	5.0
123.11725	14.1
125.09645	8.0
128.06232	2.4
129.07028	6.9
131.08572	19.4
133.10138	29.1
135.08052	7.1
135.11720	9.4
136.08879	1.7
137.09642	4.5
137.13283	3.9
141.06960	3.4
143.08583	6.0
145.10144	24.0
147.11707	24.9
149.09628	24.1
149.13289	7.1
149.91757	1.6
151.11189	5.6
155.08606	2.6
157.10167	7.4
158.64450	1.8
159.11728	11.3
161.09653	2.4
161.13165	3.6
163.11218	10.7
163.14864	3.2
165.12782	6.4
167.08618	3.6
169.10101	4.7
171.10252	2.1
171.11699	4.7
173.13292	7.4
175.11188	3.2
175.14854	2.3
177.12773	2.9
181.10208	2.7
183.11717	5.2
187.14888	2.6
189.11201	3.1
195.11719	2.7
197.13272	4.4
205.12234	2.2
207.13846	2.3
209.13289	2.6
213.16406	2.4
215.18028	2.1
219.13989	2.6
227.12787	12.3
229.15973	1.8
229.19542	6.4
239.17961	5.6
239.23701	5.9
241.14442	2.3
247.20564	6.9
253.82449	1.9
257.18988	14.3
268.81293	1.7
270.72940	1.8
275.20081	98.0
290.45813	1.6
293.21066	13.5
297.22238	1.9
313.21942	2.1
313.27368	54.0
331.22708	3.3
349.23773	46.3
367.24838	1.8
483.36511	2.2
491.41043	2.2
513.36920	2.9
531.37958	5.1
549.39362	2.3
587.46918	35.1
605.39832	8.1
605.49286	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01880	8.5
55.05278	2.2
55.05518	35.4
56.05852	1.7
57.03419	6.4
57.07082	63.5
57.16294	1.7
59.05006	1.7
65.03942	4.1
67.05511	84.9
69.03438	2.9
69.07077	38.8
71.04971	5.6
71.08640	52.8
71.11358	2.9
71.33049	1.6
79.05074	3.0
79.05502	52.3
81.03437	8.7
81.03812	1.5
81.07063	100.0
82.07389	2.8
83.04991	11.3
83.08629	33.5
85.06546	4.3
85.10189	25.6
91.04921	1.6
91.05489	44.0
93.07053	47.0
95.05004	10.1
95.08616	63.7
97.06554	11.9
97.10185	19.0
99.08110	5.9
105.04562	1.8
105.07039	34.0
107.04964	7.9
107.08608	31.6
109.06512	6.7
109.10168	31.6
111.08079	5.3
111.11733	2.7
113.00032	6.6
117.07026	11.0
119.08592	20.9
121.06505	5.5
121.10165	12.5
123.08051	4.6
123.11697	12.8
125.09647	4.7
125.13288	1.8
128.85187	1.6
129.07013	3.9
131.08566	10.7
133.10132	19.4
135.08047	4.1
135.11713	19.6
137.09615	3.9
137.13223	3.0
142.07703	1.7
143.08556	3.2
145.10129	10.6
147.11716	12.0
149.09583	6.6
149.13280	9.5
151.11182	6.3
157.10109	3.6
159.11690	10.5
161.09604	1.8
161.13213	3.2
163.11174	7.1
165.12767	5.3
169.02620	5.0
171.11690	2.4
173.09636	2.6
173.13258	3.7
177.12755	5.5
179.14403	2.0
181.12241	4.1
187.14783	2.3
195.13821	6.5
229.19577	2.0
233.15367	3.2
237.22185	1.8
239.23692	13.1
242.97559	1.8
247.20522	4.5
251.16414	5.8
253.14351	2.5
255.15984	2.0
257.19019	5.4
267.15866	1.7
275.20099	39.1
277.21790	2.9
291.19571	3.0
292.19830	6.1
293.21127	25.6
311.25946	2.3
313.27390	22.7
349.23782	12.4
443.28586	1.8
493.38995	70.7
505.38693	6.7
507.40479	63.0
536.28741	1.9
587.46533	10.6
605.38751	2.6
605.47607	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	604.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.8
57.03436	9.9
59.05006	56.6
63.14983	7.1
67.05488	11.0
69.03393	9.3
70.06596	8.1
70.39323	25.2
81.03432	15.2
81.07014	15.5
85.02902	12.4
87.04468	100.0
89.06027	10.1
91.05447	17.7
93.07048	12.1
95.04940	9.7
97.02874	15.8
103.94947	6.9
105.07067	10.5
107.04951	12.3
117.09132	15.8
119.31843	9.4
121.06477	11.3
123.04446	16.9
125.05991	13.3
131.04976	14.2
137.05983	17.9
139.03906	18.2
147.04367	7.8
151.03909	26.8
153.05476	20.8
159.45352	7.1
161.06035	11.9
167.06998	25.5
170.05914	7.7
170.81778	8.0
175.13443	7.6
186.44621	7.6
201.56020	6.9
219.12224	9.3
240.67125	9.7
253.08510	12.1
281.07990	9.6
281.17361	8.5
309.11053	9.3
327.12134	36.4
359.14847	77.8
369.13522	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	603.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01878	6.5
55.05516	27.7
57.03445	6.9
57.07080	39.1
59.05005	0.7
65.03928	3.5
67.04801	1.9
67.05510	52.1
69.03148	0.7
69.03436	7.9
69.07074	33.5
71.05031	1.8
71.08638	29.5
71.50896	1.3
77.03888	1.1
79.05499	32.7
81.03415	5.5
81.07063	44.7
83.04990	6.8
83.08627	19.4
85.06532	2.9
85.09725	1.2
85.10188	15.4
91.05491	27.1
93.06476	1.5
93.07054	25.1
95.04979	19.4
95.08613	38.7
97.02902	10.0
97.06556	4.9
97.10177	13.8
99.08104	2.0
105.04553	1.6
105.07047	21.9
107.04959	7.7
107.08601	14.5
109.06527	10.3
109.10168	20.7
109.10788	0.4
109.10920	0.9
111.04487	1.9
111.08069	2.8
111.11728	2.0
113.06017	1.9
115.05465	2.2
117.07025	8.3
119.08586	17.0
121.06512	4.0
121.10143	8.8
123.04449	1.5
123.08125	3.9
123.11707	5.3
124.30168	0.7
125.09640	6.3
127.07552	1.0
128.06233	1.9
129.07001	3.1
131.08583	11.2
133.06477	2.5
133.10147	13.9
135.08035	6.2
135.11684	6.8
137.09641	3.0
137.13229	2.1
143.08586	4.9
145.06519	1.8
145.10123	8.7
147.08070	6.7
147.11714	8.4
149.09659	2.6
149.13281	3.9
151.11208	3.3
153.09106	1.7
157.10117	4.1
159.11723	4.7
161.09613	4.4
161.13232	3.9
163.11188	2.6
163.14886	1.0
165.09122	1.4
165.12737	0.9
169.10139	0.9
169.12300	1.0
171.11725	2.7
173.11768	1.1
173.13264	1.9
175.11198	3.2
175.14821	1.5
177.12808	2.1
179.14240	0.9
185.13268	2.1
187.11336	1.4
189.11253	1.8
193.12378	1.0
199.14932	1.1
205.12296	0.9
208.41876	0.9
223.13313	17.2
227.18037	1.5
231.21066	1.3
237.22217	1.9
239.23683	4.8
241.19507	2.9
245.19003	3.6
249.15120	1.2
253.14470	2.4
255.17480	1.9
259.20612	8.4
263.20135	1.3
273.18521	24.7
274.73593	0.8
275.20096	2.3
291.19571	100.0
292.20172	1.2
293.21109	8.2
309.20624	1.5
313.27380	9.3
327.28952	8.6
333.24310	4.2
347.22205	7.5
365.23285	2.2
491.37012	1.1
507.36194	0.9
547.28650	1.0
585.44464	3.9
603.46185	90.9
604.46515	1.3
627.49579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01869	6.0
55.05516	29.0
57.03437	5.1
57.07081	36.9
59.05026	0.9
61.43624	0.7
65.03938	2.3
67.04808	1.9
67.05238	3.9
67.05511	47.4
69.03439	7.9
69.07073	35.2
69.28948	7.3
71.04998	2.0
71.08637	25.7
79.05502	25.6
81.03430	4.5
81.07065	40.9
82.07407	0.9
83.04996	4.6
83.08148	1.3
83.08626	19.1
85.06548	2.2
85.10191	14.5
91.05491	18.9
93.07053	19.8
95.04975	9.3
95.08615	36.8
97.02905	10.2
97.06542	4.2
97.10178	16.5
97.10790	1.3
99.08121	1.9
103.05527	1.0
105.04547	0.7
105.07040	16.4
107.04952	8.6
107.08602	15.5
109.06525	6.8
109.10167	17.6
111.04451	1.2
111.08070	2.4
111.11732	1.2
113.06013	2.2
115.05463	1.5
117.07027	9.6
119.04942	1.4
119.08591	15.6
121.06533	3.5
121.10165	7.7
123.04483	0.8
123.08089	4.0
123.11716	3.8
125.09646	4.6
129.07019	5.6
131.08586	7.7
133.06506	3.5
133.10150	6.2
135.08063	6.1
135.11688	5.3
137.09648	2.7
137.13264	2.2
142.07782	1.0
143.08543	5.1
145.06557	0.9
145.10143	7.0
147.08061	5.8
147.11736	3.7
149.09636	3.3
149.13260	3.8
151.11194	1.1
157.10155	3.8
159.08070	1.2
159.11690	4.3
161.09662	4.4
163.11203	1.7
165.09082	1.4
168.99913	0.9
169.10184	1.0
171.10275	1.0
171.11685	2.0
175.11238	2.5
177.12779	1.8
183.11664	1.0
185.13295	1.1
189.11237	3.1
189.12817	0.9
195.13852	1.4
199.11197	1.0
201.12691	0.9
205.12285	2.6
213.74837	0.8
223.13300	21.5
223.15446	1.3
225.11186	1.2
227.12848	2.1
227.18001	1.0
231.17555	0.9
237.22250	1.7
239.23700	3.1
245.19081	2.1
249.14815	1.4
255.17433	2.2
257.02014	0.9
263.20200	1.6
273.18521	24.7
275.20142	2.9
291.19565	100.0
292.07721	0.9
292.20090	2.3
293.21170	5.0
311.25735	2.2
313.27362	9.0
314.27682	1.3
324.49536	0.8
347.22214	5.2
349.24164	1.0
365.23325	1.6
491.37582	2.3
505.38898	2.6
585.44812	4.3
603.46222	96.6
604.46960	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	603.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01882	14.6
55.02137	2.8
55.05516	53.9
57.03439	29.6
57.07076	57.6
59.60766	1.7
62.39386	1.6
65.03933	8.0
67.05508	89.8
67.67352	1.6
69.03423	4.2
69.07075	45.8
69.49870	8.4
69.50298	4.5
71.04975	5.3
71.08635	43.8
79.05499	59.5
81.03433	3.5
81.07061	92.0
83.04980	6.9
83.08624	30.7
85.06553	18.1
85.10182	17.8
91.05487	71.9
91.05912	1.4
91.06077	1.8
93.07047	54.2
95.04973	37.1
95.08611	59.7
97.06543	8.5
97.10169	18.0
99.08112	4.5
103.05457	2.2
105.04568	2.5
105.07038	53.5
107.04957	13.1
107.08595	30.7
109.06522	61.5
109.10170	24.8
111.04443	3.0
111.08086	6.4
111.11699	4.3
112.99955	1.9
113.06011	40.0
115.05464	6.9
116.06220	3.3
117.07030	41.3
119.04961	2.8
119.08585	35.4
119.09377	3.4
121.06509	7.8
121.10152	15.8
123.08055	7.3
123.11741	7.4
125.09646	4.4
128.06224	14.5
129.07002	25.3
130.07796	7.3
131.08568	59.8
133.06480	6.8
133.10150	22.9
135.08061	37.2
135.11681	12.6
137.09616	5.8
141.07018	7.5
142.07771	4.3
143.08569	45.3
145.06482	5.8
145.10133	63.1
147.08028	9.7
147.11719	13.9
149.09630	7.7
149.13261	4.5
151.11214	3.5
153.07005	2.1
154.07924	2.8
155.08540	6.2
156.09273	2.2
157.10135	22.6
159.08060	3.9
159.11725	19.3
161.09647	17.3
161.13220	4.3
163.11168	6.2
165.09178	2.2
167.08536	2.7
169.10112	10.8
171.11668	11.7
173.09598	4.0
173.13319	6.4
175.11195	9.2
177.12769	5.8
181.10164	4.9
183.11681	6.7
185.13326	7.6
189.12735	3.0
189.42453	1.9
195.11693	9.0
195.13608	3.2
199.11266	2.1
199.14758	3.8
201.12747	3.4
209.13274	2.6
213.12827	4.4
217.15921	15.4
223.13277	2.7
227.17938	6.9
233.15274	2.1
237.16467	10.1
237.22150	4.1
239.23691	5.7
241.19533	2.5
245.19077	7.6
248.75237	2.1
249.83519	2.4
255.17441	16.5
259.20627	7.0
273.18509	66.9
275.20163	5.2
291.19550	100.0
293.21014	10.3
309.20697	2.2
311.25803	2.9
313.27380	53.7
327.28983	6.8
329.21204	3.4
347.22186	20.0
349.23642	2.9
365.22952	2.1
491.37402	9.8
505.38852	5.9
585.44855	12.7
603.46210	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3165
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03942	8.6
55.01879	16.6
55.05516	46.9
57.03444	17.0
67.05508	50.1
68.30072	2.7
69.03430	7.8
69.07072	17.8
71.04991	9.4
71.51526	4.2
72.75889	3.0
78.54640	2.5
79.05502	59.6
81.03429	66.0
81.07068	56.1
83.05006	18.6
83.08617	27.4
85.02903	27.8
85.06530	3.7
88.18320	2.7
91.05492	62.1
93.07056	38.7
94.38988	2.7
95.01322	3.4
95.04980	65.1
95.08621	24.1
97.02894	7.6
97.06521	7.3
97.10175	19.7
103.05474	12.5
105.03400	2.7
105.04478	2.8
105.07048	44.2
107.04959	26.1
107.08648	19.2
109.02883	10.5
109.06490	9.4
109.10161	9.2
111.04441	14.1
111.08076	12.0
115.05422	13.0
117.07021	21.9
119.04942	11.8
119.08586	26.1
121.02871	7.0
121.06518	17.0
121.10123	13.4
123.04445	12.8
123.08074	7.4
123.11741	4.1
125.09653	17.6
128.06232	8.1
129.07008	23.4
131.04935	18.7
131.08588	22.7
133.06503	16.8
133.10144	12.8
135.04384	7.5
135.08067	7.6
135.11652	7.5
137.02324	6.0
139.03900	6.7
141.06978	7.8
143.08565	9.9
144.05792	3.2
145.06502	23.8
145.10196	13.0
147.04430	11.7
147.08069	9.7
147.11703	12.3
149.06017	7.7
149.09631	8.3
151.11119	3.2
153.06987	2.7
153.09093	5.4
155.08562	11.2
157.06519	11.6
157.10144	13.2
159.04443	4.6
159.08087	9.7
160.05196	4.8
161.06027	26.3
161.09628	8.8
163.03990	4.1
163.11203	10.9
165.06967	5.1
167.08592	7.4
169.06511	4.7
169.10123	5.2
171.04442	4.4
171.08061	7.3
171.11731	5.0
173.05992	39.1
173.09639	6.4
174.06773	9.7
175.04019	4.5
175.07585	9.0
175.11183	7.9
177.12752	3.2
179.08507	3.3
181.10135	7.3
181.12230	2.9
183.08095	6.7
183.11684	3.1
185.06007	8.5
186.06802	3.7
187.07535	19.9
187.11244	4.8
189.05470	27.9
189.09155	6.8
189.11240	8.0
191.10721	5.0
193.12282	24.8
195.08035	5.6
197.09636	6.2
199.07515	7.3
200.08334	3.4
201.05528	3.6
201.09082	4.1
203.07037	5.9
203.10725	4.9
209.09593	4.6
211.07599	4.5
211.11389	5.8
211.13255	23.4
213.12775	5.2
215.06909	4.9
217.12555	2.5
225.12729	3.8
227.12785	8.1
235.11192	3.4
239.10693	3.0
242.12685	2.8
243.13712	6.7
245.15509	4.5
247.13420	3.6
255.13765	12.0
257.15491	6.6
259.13297	3.5
265.12326	4.9
267.15982	6.0
269.15436	3.4
271.13263	3.5
273.14920	28.7
283.13226	19.3
285.14691	9.3
285.17401	13.3
289.14453	8.6
291.15781	3.8
297.14960	3.1
301.14362	88.3
303.15912	7.3
313.17889	6.0
315.15826	6.1
319.15372	16.9
323.16449	5.8
325.14273	3.5
327.15909	3.6
335.16391	2.8
341.17465	13.5
343.15372	13.5
345.17242	2.6
351.97171	2.7
357.16925	5.9
359.18274	6.7
375.17935	20.6
393.19263	5.0
447.25418	4.3
465.26593	6.4
475.24704	4.7
483.28149	3.6
493.25934	7.5
511.26907	12.3
529.27899	6.7
539.30200	3.2
543.29742	19.2
549.28705	3.2
567.29572	31.6
573.30524	18.7
585.30621	100.0
603.31671	86.4
604.31781	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	602.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01893	0.4
57.03415	0.4
67.05512	0.4
69.03426	0.8
70.06566	0.4
70.16925	1.0
78.04700	2.1
79.05499	3.0
81.03428	0.5
81.07030	0.4
85.02917	1.8
91.05495	1.6
93.07051	0.4
94.04187	0.4
95.04973	0.8
97.02888	0.9
98.21455	0.5
103.05473	4.0
105.07036	5.0
106.04160	1.2
107.04970	6.9
109.02874	0.6
115.05444	1.6
117.07048	0.9
119.04959	0.6
121.06536	2.7
122.03639	0.3
123.04430	4.6
124.05244	1.7
125.05940	0.7
129.07085	0.3
131.04948	6.1
131.08546	0.6
132.05661	0.5
133.06499	5.0
135.08090	1.0
137.05975	3.2
139.07492	0.4
141.06993	0.5
143.04968	0.4
143.06009	0.4
144.05704	0.6
145.04938	0.4
145.05476	0.3
145.06493	2.7
147.04436	1.5
149.05988	0.6
151.03908	0.9
151.07562	3.8
152.04712	1.9
153.01871	2.3
153.05447	0.6
154.04988	0.4
158.07260	0.8
159.08083	1.2
161.05998	5.8
162.07558	0.4
163.07559	11.8
165.09201	0.5
167.07048	100.0
168.07451	0.9
169.06490	0.5
173.05978	1.3
173.09622	1.1
175.07495	1.9
177.05396	0.4
177.09103	2.2
179.07071	3.4
180.08810	0.3
181.08604	4.7
187.07535	2.8
189.09042	0.7
191.07043	0.5
192.07822	0.7
193.08621	15.9
194.97409	0.4
195.10252	0.5
201.09148	1.5
203.08682	0.4
204.12407	0.3
205.08568	1.5
207.10046	0.6
217.08629	0.7
219.10165	2.5
221.11757	0.5
227.26752	0.3
231.08147	0.5
233.11736	3.4
237.11235	3.2
245.09390	0.3
251.12775	1.7
259.07758	0.4
263.10672	1.0
291.10236	1.1
295.13327	1.0
299.78473	0.3
323.12808	1.9
327.16049	0.5
355.15424	12.6
356.15485	0.4
379.95883	0.3
387.13031	0.6
387.18060	11.6
388.17953	0.4
388.82941	0.4
396.09891	0.5
405.19110	21.8
406.19315	0.6
422.25522	0.7
423.20123	0.6
584.30542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.4
55.05527	23.0
57.07068	15.5
59.05003	3.3
61.18537	3.8
61.81776	3.8
65.03936	4.8
67.05510	45.3
69.03422	14.4
69.07072	28.8
69.88077	15.5
71.04976	6.0
71.08628	4.5
79.05506	43.6
81.03415	13.5
81.07057	51.8
83.04996	19.7
83.08621	17.4
85.06512	5.2
87.04467	3.5
91.04977	5.6
91.05491	64.7
93.07051	82.5
95.04971	27.3
95.08067	4.0
95.08623	45.7
97.06525	11.8
103.05490	6.4
105.07036	100.0
106.07368	9.4
107.04986	5.7
107.08607	74.8
108.08942	6.4
109.06526	17.1
109.10161	38.8
111.08090	5.6
113.09653	5.9
115.05445	13.0
116.59506	3.1
117.07034	19.4
119.08592	83.3
120.08920	4.8
121.06506	11.8
121.10146	79.6
122.10536	3.8
123.08039	18.3
123.11729	8.6
125.09653	15.4
128.06192	13.5
129.07047	18.4
129.07860	3.6
130.07758	10.4
131.08589	43.8
133.06494	6.2
133.10146	64.9
135.08076	20.6
135.11679	19.7
137.09622	11.9
139.11165	10.4
141.06978	10.7
142.07796	23.4
143.08566	39.9
144.09239	11.6
145.06473	5.0
145.10141	75.8
146.10474	8.1
147.08070	8.9
147.11703	23.5
149.09641	21.3
149.13254	5.3
151.07513	3.5
151.11147	3.7
153.06963	6.0
155.08585	24.2
155.10703	8.0
156.09399	18.7
157.10149	58.9
158.10818	10.9
159.08057	21.5
159.11707	42.7
161.05998	7.1
161.09637	19.3
161.13231	10.7
163.11203	7.0
165.06964	8.1
165.09119	9.0
167.08514	11.4
167.10692	55.5
168.09302	10.1
169.10123	34.7
170.10878	6.5
171.08104	5.4
171.11693	40.6
172.12131	4.9
173.05998	4.7
173.09645	5.9
173.13304	25.6
175.11211	12.6
175.14816	13.8
177.12732	4.2
179.08530	15.2
180.09245	7.1
181.10085	13.6
181.12279	5.1
182.10832	8.5
183.11708	26.7
184.12303	6.7
185.13286	15.7
187.11185	7.2
187.14836	11.2
189.12782	11.2
192.09419	6.1
193.10133	14.9
193.12050	3.4
194.10814	4.8
195.11676	24.4
195.44212	4.1
196.12370	9.7
197.13300	25.1
199.14821	14.5
201.16469	6.5
203.14394	8.4
206.10959	6.1
207.11722	18.7
207.13490	4.8
208.12379	9.6
209.13318	19.1
209.15060	4.9
210.13849	8.0
211.14749	21.6
213.12741	5.4
213.16478	4.7
215.14270	4.7
218.93727	4.3
220.12378	6.6
221.13252	13.4
221.15405	19.2
223.14772	12.9
225.16394	5.4
233.13341	7.7
233.15308	27.5
235.14880	11.6
237.16423	11.6
238.16791	3.9
239.17798	8.3
243.11734	5.1
245.13316	3.8
247.14778	6.7
249.16515	9.4
251.18011	5.0
253.19632	3.6
255.17274	8.1
255.29918	3.4
256.17761	4.6
259.14667	4.6
261.16324	7.9
263.17923	4.7
265.19577	11.2
269.19046	9.4
269.77191	4.0
271.13174	7.3
273.18521	4.1
275.17773	4.7
279.85519	3.8
281.18872	5.0
283.20386	4.4
285.18646	4.1
289.14377	3.8
295.20609	4.3
299.20251	6.7
345.16901	6.8
419.29669	3.8
437.28934	4.2
456.97885	3.8
583.41199	10.3
601.42023	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	4.2
52.11583	2.5
53.03948	7.2
55.05524	21.9
56.28130	2.4
57.07071	11.2
59.05011	2.9
65.03929	3.5
67.05513	32.8
69.03432	16.3
69.07065	23.6
69.99848	2.3
70.02203	11.0
71.04980	4.3
77.03918	2.9
79.05067	3.4
79.05499	37.4
80.38208	2.4
81.03416	7.1
81.07056	45.8
83.04986	19.7
83.08640	17.1
85.06532	6.2
91.05485	61.7
92.05811	5.0
93.07047	81.1
94.07384	4.1
94.44718	2.2
95.04976	25.4
95.08612	41.2
97.06532	15.6
103.05497	3.9
105.04536	2.6
105.07037	100.0
106.07330	3.7
107.04941	2.8
107.08603	70.8
108.08929	5.3
109.06546	15.8
109.10172	29.1
111.08071	6.0
113.09657	3.4
115.05453	9.8
117.07041	24.8
119.08588	89.0
120.08932	2.9
121.06534	11.7
121.09329	4.7
121.10152	74.9
123.08079	17.4
123.11697	8.5
125.05992	3.0
125.09625	14.3
128.06230	14.2
129.07008	16.7
130.07773	5.8
131.08578	44.0
132.08916	4.2
133.06560	4.2
133.08629	2.8
133.10139	55.5
134.10486	3.2
135.08086	16.4
135.11719	17.5
137.09602	9.2
139.11208	4.5
141.06987	11.6
142.07774	23.1
143.08577	42.8
144.09248	9.5
145.06487	3.7
145.10136	67.2
146.10539	3.7
147.08078	12.1
147.11685	27.2
149.09618	22.2
149.13260	5.4
151.07584	6.0
153.06902	3.5
154.07712	4.0
155.08572	18.9
155.10626	6.5
156.09375	18.8
157.10132	51.2
158.10709	7.9
159.08054	15.9
159.11710	39.6
160.08769	2.8
160.12067	4.2
161.05930	3.1
161.09607	11.0
161.13254	7.7
163.11191	8.8
165.06973	7.2
165.09122	9.7
166.07826	2.7
167.08516	10.3
167.10683	47.8
168.09344	7.1
169.10133	30.3
170.10767	9.2
171.11702	36.5
172.11948	5.7
173.09612	9.3
173.13261	24.2
175.11163	7.2
175.14825	9.6
176.11531	2.9
179.08514	12.1
180.09305	9.8
181.10121	15.5
181.12259	5.1
182.10881	9.5
183.11746	25.0
184.12212	6.3
185.09651	4.1
185.13220	22.8
187.11200	7.8
187.14813	11.0
189.12727	8.0
189.16281	2.6
190.13489	3.1
191.14339	5.0
192.09258	4.7
193.10132	13.6
194.10837	8.9
195.11708	22.1
196.12325	9.1
197.13240	20.0
198.13753	4.9
199.11139	5.7
199.14796	12.3
201.12807	5.6
201.16402	6.2
203.14372	6.8
204.95427	2.8
205.10028	3.7
206.10884	8.4
207.11649	15.9
208.12341	9.5
209.13315	23.9
210.13789	8.5
211.11365	2.7
211.14821	18.7
213.12730	3.4
213.16393	2.5
215.14281	5.7
217.10254	4.3
219.11757	4.3
220.12424	6.0
221.13237	8.8
221.15390	23.9
222.13815	5.4
222.15851	3.4
223.14777	13.8
224.15353	5.3
225.12585	3.6
225.16397	6.9
227.14326	4.9
231.11681	4.2
232.12448	4.0
233.13187	7.1
233.15392	22.8
234.15991	4.6
235.14748	7.1
236.15396	3.7
237.12631	3.6
237.16409	10.0
239.14397	3.9
241.15866	3.4
245.13136	3.7
246.13908	3.4
247.14836	7.2
249.16408	8.1
251.17996	6.5
255.17480	7.0
256.17844	4.2
257.19012	4.4
259.14810	3.1
261.16431	7.6
263.17896	5.2
265.19641	3.6
269.18924	6.7
273.16138	4.0
273.18701	3.2
275.17825	5.1
277.19574	4.6
279.17505	3.7
281.19012	5.3
283.20569	4.0
289.19385	6.6
291.21039	3.6
297.18768	2.8
299.20322	4.9
311.19785	3.8
329.22430	2.6
464.28723	3.4
565.40802	3.8
583.40967	7.5
601.43048	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	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.8
55.01870	4.9
55.05516	22.9
57.07073	13.7
59.11290	1.9
61.41487	2.2
65.03938	4.6
67.05510	33.7
68.00188	1.8
68.08284	1.8
69.03426	10.6
69.07076	21.7
69.84785	10.9
71.04989	4.3
71.08637	5.3
73.06564	2.4
75.00400	1.9
77.03946	2.2
79.05065	3.2
79.05501	40.0
81.03407	8.0
81.07069	42.6
83.04998	18.7
83.08621	16.0
83.94029	1.8
85.06558	6.1
85.10206	3.1
87.60609	2.1
89.06053	13.5
91.05489	59.8
92.05827	3.5
93.06478	4.4
93.07053	69.7
94.07366	3.0
94.50674	2.2
95.04964	17.8
95.08620	37.5
96.83001	2.2
97.06538	12.6
97.10178	4.0
98.20831	3.1
103.05481	6.5
105.04546	3.0
105.07037	100.0
107.04978	4.7
107.08601	70.4
108.08945	4.2
109.06555	15.4
109.10169	33.1
110.10522	2.3
111.04463	2.4
111.08087	3.7
111.11689	2.1
113.09619	3.6
115.05479	8.6
117.07016	23.0
119.08592	89.3
120.08952	4.5
121.06492	11.4
121.10151	73.6
122.10509	3.2
123.08059	14.7
123.11738	9.2
125.09635	11.5
128.06258	15.3
129.07031	17.5
130.07825	10.9
131.08574	42.0
132.08995	2.6
132.15096	2.1
133.06502	4.2
133.08589	5.2
133.10141	53.0
134.10458	3.8
135.08089	12.9
135.11691	18.5
137.09636	10.3
139.11205	5.8
139.91138	2.0
141.07004	8.9
142.07817	22.2
143.08586	39.2
144.09392	10.7
145.06494	2.6
145.10138	68.0
146.10542	8.7
147.08063	9.5
147.11700	26.9
149.09622	13.2
149.13271	2.8
151.07536	4.8
151.11234	3.6
153.07034	6.5
154.07744	6.2
155.08617	15.6
155.10684	6.9
156.09360	17.5
157.10141	53.6
158.10870	10.3
159.08092	15.9
159.11708	35.8
160.12070	3.7
161.05980	4.4
161.09668	13.3
161.13277	9.7
163.11192	7.8
165.07028	6.6
165.09175	6.6
166.07780	3.6
167.08591	9.8
167.10695	45.1
168.09337	6.7
168.11012	2.6
169.10146	30.0
170.10852	8.5
171.11694	34.7
172.12160	8.5
173.09631	8.0
173.13286	25.4
174.10158	2.3
175.11224	8.5
175.13503	2.4
175.14709	10.4
176.11613	2.2
177.12756	3.0
179.08574	11.3
180.09250	6.3
181.10144	17.0
181.12262	5.8
182.10896	8.9
183.11690	28.2
184.12289	5.8
185.09720	3.7
185.13310	18.6
185.14784	2.7
186.13693	5.8
187.11179	3.9
187.14816	10.8
189.12740	8.6
191.14307	5.1
192.09372	3.8
193.10126	10.8
193.12123	4.2
194.10802	8.3
195.11716	24.3
196.12340	10.7
197.09662	3.9
197.13249	22.4
198.13678	5.1
199.11127	5.1
199.14922	10.9
201.12801	6.2
201.16438	4.4
203.08499	2.1
203.14374	8.0
204.14729	2.8
205.10081	2.9
206.10834	4.2
207.11717	13.5
208.12440	6.0
209.13301	20.2
209.15207	3.1
210.13791	5.8
211.14815	15.2
212.15393	3.7
213.12782	7.0
213.16425	4.2
215.14391	3.8
217.15918	4.2
219.11661	5.9
220.12462	4.1
221.13255	14.3
221.15433	15.6
222.13838	3.2
223.14806	13.9
225.12692	5.0
225.16373	5.2
225.55878	2.4
226.16747	2.2
227.14337	5.5
229.10265	2.3
229.15889	4.4
231.11664	5.7
232.12361	2.4
233.13290	6.3
233.15407	25.7
234.13844	2.9
234.16008	5.2
235.14838	8.7
236.15472	4.4
237.12599	3.1
237.16386	7.0
239.14320	3.8
239.17963	3.3
241.15981	4.0
244.12404	3.0
245.13220	4.5
247.14804	6.7
249.16388	6.5
251.17953	7.5
253.19432	3.3
255.17476	7.1
256.17825	5.7
258.13751	3.9
259.14642	3.6
260.15680	3.1
261.16382	6.1
263.17886	3.6
264.18176	2.3
265.19553	4.1
267.17560	2.7
269.18970	6.8
273.16220	3.1
275.17789	4.7
276.18350	2.4
277.19302	2.7
281.18970	4.3
283.20627	5.5
289.19034	2.3
295.20734	5.4
299.20139	3.7
337.21881	2.5
343.81638	2.2
345.21967	2.5
349.25626	2.8
365.24582	3.1
383.27167	2.5
565.40308	3.9
583.41364	9.3
601.42841	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
54.21182	2.4
55.01881	2.9
55.05521	22.6
57.07064	8.1
59.69902	2.3
65.03947	4.7
67.05508	39.2
69.03447	12.8
69.07069	22.4
69.14904	17.7
69.15327	10.3
71.04980	3.2
77.03915	3.4
79.05495	35.0
79.84046	2.8
81.07066	43.4
83.04988	19.7
83.08636	17.3
83.28067	2.3
85.06538	8.1
86.18761	2.3
87.04484	3.5
91.05489	58.7
92.05788	3.2
93.07052	83.7
94.07371	4.0
95.04987	25.9
95.08614	43.9
96.08902	2.5
97.06536	14.2
98.20712	5.2
103.05479	5.5
105.04556	4.2
105.07037	100.0
106.07326	5.7
106.60313	2.4
107.04916	3.5
107.08600	75.4
108.08889	3.2
109.06551	16.6
109.10173	36.4
109.41798	2.9
111.08076	5.5
111.11783	2.7
111.95438	2.8
113.09637	5.9
115.05445	9.9
117.07023	17.7
119.06036	4.3
119.08596	89.4
120.08929	6.4
121.06505	13.1
121.10154	87.1
122.10473	2.9
123.08088	18.8
123.11710	9.7
125.09634	12.1
127.59061	3.2
128.06218	11.8
129.07021	20.7
130.07776	9.8
131.08575	45.7
132.08939	3.4
133.06490	5.4
133.09259	4.5
133.10156	52.7
134.10468	4.3
135.08072	18.9
135.11681	16.1
137.09624	9.1
139.11139	7.3
141.07004	14.9
142.07822	23.7
143.08574	47.8
144.09245	11.9
145.06546	3.2
145.10143	72.5
146.07271	2.7
146.10529	6.7
147.08058	11.4
147.11703	23.5
149.09622	18.6
151.07573	7.4
154.07724	4.0
155.08588	23.7
155.10625	7.5
156.09369	15.2
157.10147	57.9
158.10783	10.0
159.08078	17.8
159.11713	37.2
160.08649	3.6
160.12079	4.3
161.09596	15.3
161.13249	3.2
163.11223	9.4
165.06996	9.8
165.09128	7.0
166.07840	4.6
167.08542	10.0
167.10698	49.3
168.09258	8.1
169.10144	30.9
170.10857	10.8
171.11690	31.0
172.12318	6.3
173.09596	8.9
173.13261	24.3
175.11177	11.6
175.14870	14.3
176.11510	3.3
179.08563	13.4
180.09267	9.1
181.10146	18.5
181.12262	4.5
182.10837	13.3
183.11703	26.5
184.12332	4.3
185.09625	4.6
185.13266	21.7
186.13673	4.6
187.11192	8.4
187.14857	10.3
189.12761	7.2
191.14351	4.8
192.09412	4.7
193.10168	14.2
194.10861	12.3
195.11720	23.3
196.12337	9.2
197.09673	4.2
197.13252	26.8
198.13814	7.3
199.11244	5.3
199.14754	10.2
201.12770	4.7
201.16484	5.2
203.14233	6.2
205.10080	5.5
206.10899	6.0
207.11681	18.1
207.13631	4.5
208.12363	8.6
209.13258	27.1
209.15134	4.1
210.13817	5.5
211.14856	19.4
212.15282	4.6
213.12718	5.1
213.16446	5.4
215.14316	7.2
217.10088	2.8
217.15927	3.5
219.11726	8.0
220.12453	5.3
220.66406	3.1
221.13217	13.5
221.15411	16.3
222.13737	5.7
223.14810	15.7
224.15617	4.2
225.16396	9.2
227.14243	5.5
231.11710	4.3
233.13232	10.2
233.15417	26.6
233.88359	3.2
234.13943	5.4
235.14764	12.1
237.16423	5.0
239.17964	4.0
245.13313	3.2
246.13872	3.4
247.14796	5.3
249.16315	5.7
255.17474	9.2
256.17813	6.1
261.16327	5.8
263.17856	3.8
265.19458	4.2
267.17535	3.2
269.18951	10.1
275.17691	4.5
281.19168	4.1
283.20566	6.1
285.18665	4.9
287.20294	3.8
291.21280	4.5
295.20410	3.6
348.23837	3.1
532.15802	2.9
580.87207	3.1
583.41205	4.4
601.42236	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01866	9.2
55.05517	25.5
57.07064	16.5
64.71294	3.5
65.03947	5.6
67.05511	38.9
69.03423	12.1
69.07061	23.0
70.90733	11.2
71.05003	5.2
71.08635	5.9
79.05495	40.8
81.03419	33.4
81.07056	59.2
83.04972	19.9
83.08626	17.0
84.05376	4.2
85.06538	11.3
88.61804	3.7
91.05484	62.8
93.07047	76.9
94.07409	4.0
95.04960	28.0
95.08611	36.8
96.05316	3.6
97.06544	11.4
97.10200	7.7
103.05502	7.8
105.07029	100.0
105.07693	7.4
105.82886	3.7
106.07362	8.3
107.04983	5.2
107.08598	69.4
108.08926	6.7
109.06525	18.0
109.10163	34.8
111.08134	4.5
113.09656	5.1
115.05456	10.6
116.06269	4.7
117.07032	22.8
119.08586	91.2
121.06525	10.5
121.10146	75.9
121.13195	3.8
122.10474	4.9
123.08083	16.2
123.11723	8.6
124.08381	4.8
125.09634	10.1
128.06219	10.9
129.07005	23.2
130.07780	7.9
131.08585	47.1
133.06448	7.2
133.10117	50.9
134.10510	4.7
135.08044	17.7
135.11720	15.2
136.08458	5.7
137.06046	3.4
137.09628	13.7
141.06989	11.1
142.07806	27.1
143.08585	36.5
144.09312	9.4
145.06519	7.2
145.10129	67.0
146.10431	9.4
147.08029	11.1
147.11694	18.7
149.09631	17.0
149.13161	4.3
151.07552	4.9
153.06995	8.0
155.08545	15.5
155.10704	7.3
156.09332	17.7
157.10136	52.9
158.10793	10.2
159.08060	17.9
159.11688	34.3
160.05193	7.9
160.12093	6.4
161.05992	13.0
161.09639	16.6
161.13301	10.1
163.11157	8.5
165.06972	11.6
165.09134	12.1
166.07733	5.6
167.08640	8.1
167.10675	43.7
168.09317	8.1
169.10094	24.6
170.10770	13.1
171.11723	33.6
172.12126	7.6
173.05977	9.0
173.09653	8.5
173.13312	23.0
175.11197	11.5
175.14777	9.7
176.11490	4.5
179.08560	11.5
180.09286	5.2
181.10117	16.2
182.10745	6.8
183.11682	17.5
184.12164	6.6
185.09596	4.2
185.13202	19.3
187.11195	11.2
187.14841	7.8
189.12735	7.5
190.13440	5.8
191.14249	5.6
192.09387	5.7
193.10086	9.3
194.10829	9.5
195.11711	21.2
196.12247	12.1
197.13252	21.2
198.13730	6.8
199.14871	8.1
200.15215	4.9
201.12746	4.8
201.16376	4.6
203.10562	4.4
203.14264	10.6
205.10225	5.0
206.10832	5.2
207.11667	17.0
207.13647	5.4
208.12318	12.1
209.13287	20.9
210.13808	6.6
211.11388	4.5
211.14850	20.2
212.15311	4.6
213.16194	6.2
215.14328	8.2
219.11678	7.1
220.12086	4.1
221.13222	11.6
221.15395	13.9
222.13892	4.4
223.14819	13.2
224.15163	5.9
225.12875	4.6
225.16284	6.5
227.14293	4.5
231.11534	5.2
232.12405	5.0
233.13237	8.7
233.15417	25.8
234.15804	5.2
236.15428	5.3
237.16444	7.3
245.13249	7.6
247.14690	6.3
249.16359	5.2
255.17409	11.4
256.17761	7.3
257.73575	4.4
259.14734	7.4
269.19006	9.4
271.13342	14.2
273.18774	5.2
275.17978	4.4
283.20596	5.6
289.14386	5.2
299.20132	8.7
311.19879	3.9
313.27332	9.3
345.16803	4.8
467.33090	4.5
531.33948	3.8
583.40125	7.6
601.23047	4.7
601.41382	58.0
602.46307	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
54.98347	2.4
55.01882	4.2
55.05510	18.9
57.03433	2.5
57.07091	10.5
59.04994	2.0
65.03936	2.5
67.05505	26.3
69.03425	8.6
69.07072	16.7
71.05008	2.8
71.08624	4.9
71.29008	4.4
71.46565	1.7
73.02915	2.4
79.05497	24.1
81.03409	3.2
81.07058	33.7
82.07372	2.1
83.04967	4.5
83.08613	8.4
85.06544	4.9
85.10152	2.4
89.06039	11.6
91.05487	25.6
93.07054	38.6
95.04957	8.3
95.08624	24.9
95.34679	2.3
97.06517	5.6
97.10186	5.6
105.07041	38.2
107.04952	5.2
107.08614	21.9
109.06531	12.5
109.10179	12.1
111.08068	2.2
111.11722	2.2
115.05467	4.0
117.07025	14.3
119.04974	2.1
119.07815	3.2
119.08589	46.7
121.06502	5.5
121.10144	24.3
123.08060	15.1
123.11700	3.3
125.05990	4.8
125.09653	2.5
128.06216	4.9
129.06995	7.2
130.07780	3.1
131.08559	18.0
133.06548	3.9
133.08571	7.6
133.10117	21.1
134.10411	2.3
135.08070	12.7
135.11722	11.3
137.09634	11.7
141.07027	5.0
142.07759	6.3
143.08615	13.9
144.09315	5.8
145.06503	2.7
145.10136	24.0
147.08073	20.9
147.11691	6.7
149.09627	5.4
149.13312	4.2
151.07565	12.1
155.08586	4.8
156.09283	7.7
157.10172	20.2
158.10536	2.6
159.08055	2.8
159.11748	15.6
161.09628	8.0
161.13249	4.3
163.11189	8.7
165.09123	44.1
167.08598	3.2
168.09239	2.6
169.10133	9.5
171.11674	11.8
173.09610	3.9
173.13269	5.9
175.11194	5.1
175.14786	4.3
177.11383	2.9
180.09268	2.4
181.10168	4.2
181.12245	7.1
183.11679	7.5
184.12173	2.0
185.09666	2.3
185.13249	6.0
187.11191	2.7
187.14780	2.5
189.12781	2.6
191.10785	2.3
193.10066	3.0
195.11696	7.2
196.12314	2.6
197.13235	5.1
199.11145	3.0
199.14922	3.5
201.12685	2.8
203.14281	14.5
204.14676	2.5
207.11792	4.4
207.13776	5.9
208.12306	2.7
208.14392	3.0
209.13225	8.6
211.14749	3.3
215.14278	2.6
221.15396	100.0
222.15733	6.7
223.13129	3.7
225.16431	2.4
233.13239	3.1
234.16074	2.9
247.16875	5.2
271.16891	6.9
273.18600	3.8
274.19202	2.3
286.19217	3.2
287.20004	4.2
291.19458	19.1
299.20145	3.8
300.20544	4.0
341.23837	2.4
343.49561	2.1
352.23895	6.4
353.24387	5.6
367.26111	2.5
375.26492	2.8
418.29865	2.2
428.28973	3.5
440.29294	3.2
441.29752	3.1
491.35059	5.9
521.35828	11.7
583.41742	10.7
601.43158	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01865	3.9
55.05513	20.1
57.03423	2.1
57.07079	17.1
59.05005	2.6
65.03941	4.2
67.05175	2.8
67.05507	38.0
69.03424	11.3
69.07075	19.4
69.56998	11.1
71.04984	2.8
71.08641	3.9
77.03889	1.9
79.05492	28.4
81.03450	2.2
81.07055	40.6
83.04975	7.2
83.08623	11.8
83.26044	1.7
85.06537	5.2
89.06041	3.3
91.05481	38.7
92.05813	2.2
93.06490	3.0
93.07052	52.7
94.07359	3.8
95.04964	9.7
95.08601	38.7
97.06518	8.3
97.10152	6.6
102.20587	1.9
103.05449	3.5
105.07034	53.7
106.07335	4.6
107.08598	35.5
108.08845	2.2
109.06522	15.6
109.10155	22.1
111.08057	5.2
113.05983	3.2
115.05444	2.1
117.07020	11.5
119.08588	61.1
120.08910	2.7
121.06504	6.0
121.09338	2.8
121.10150	32.1
123.08096	20.0
123.11676	5.3
124.30347	1.9
125.05981	7.0
125.09570	3.4
128.06209	7.3
129.07043	11.8
130.07800	3.7
131.08586	24.0
132.05704	1.9
132.08966	3.8
133.06493	3.2
133.08588	2.3
133.10141	29.1
134.10490	2.1
135.08047	14.4
135.11670	11.8
137.09615	12.9
139.07495	3.0
139.11147	2.3
141.06903	2.9
142.07787	13.2
143.08568	22.3
144.09290	6.0
145.06511	2.3
145.10136	41.4
146.10455	4.2
147.08063	23.2
147.11685	12.4
148.08369	3.8
149.09590	8.0
149.13249	1.8
151.07553	11.0
151.11212	2.4
153.09044	2.7
154.07806	2.6
154.49710	1.8
155.08531	7.2
156.09300	8.3
157.10147	23.8
158.10840	5.5
159.07976	5.2
159.11707	23.5
160.11986	3.0
161.09601	7.8
161.13272	9.6
163.07556	2.6
163.11189	11.1
165.07016	2.9
165.09123	47.1
166.09439	2.7
167.08546	4.2
168.09349	3.9
169.10144	15.3
170.10831	5.4
171.11693	18.7
172.12036	3.3
173.09627	3.6
173.13237	12.6
175.11238	8.6
175.14825	7.1
176.11522	2.6
177.09076	3.1
177.12727	3.6
179.08548	4.2
180.09357	2.9
181.10120	6.8
181.12250	11.8
182.10820	3.8
182.12538	2.6
183.11681	10.6
184.12082	2.2
185.13295	11.0
186.13661	2.1
187.11238	4.4
187.14793	6.2
188.11861	2.1
189.12669	5.9
191.10669	2.5
191.14246	4.4
192.09166	2.2
193.10223	4.1
193.12245	5.2
194.10852	5.3
194.12587	2.5
195.11668	10.5
196.12378	2.4
197.13246	11.0
198.13756	2.8
199.14752	4.1
201.12776	4.5
203.14307	18.2
207.11780	3.4
207.13828	6.7
208.12317	1.7
208.14450	3.6
209.13287	9.6
209.14986	2.2
210.13763	2.8
211.11151	2.2
211.14793	6.0
212.15211	2.6
213.12711	2.6
213.16257	2.0
215.14375	3.2
219.11610	2.7
220.12407	2.0
221.13400	5.3
221.15366	100.0
222.15775	9.8
223.14644	4.1
224.92155	2.2
225.16273	3.5
226.13293	2.4
227.14366	2.1
233.15274	2.6
234.16139	5.3
235.14716	4.4
235.16782	2.5
237.16330	4.8
239.14169	2.7
239.18018	2.4
247.14711	2.4
247.16954	9.7
248.17377	4.3
249.16426	2.3
253.15860	2.5
257.15176	2.5
259.17285	1.9
259.20529	4.2
265.19427	2.2
271.16956	2.5
273.18604	4.5
274.19208	2.3
275.19778	3.8
283.20444	3.0
284.26620	2.1
285.18512	2.6
286.19263	4.5
287.19989	8.5
289.17999	5.0
291.19583	7.1
299.20096	4.6
300.20609	6.0
301.21713	3.5
308.38702	1.9
312.20712	3.1
313.21384	4.1
325.21555	4.5
325.27383	2.5
326.22263	3.6
333.24261	2.5
340.23846	3.2
341.24014	2.2
345.31934	2.0
352.23972	7.1
353.24371	7.1
365.24338	3.5
366.25134	4.2
367.26181	5.0
393.27835	2.9
420.29709	3.3
427.28143	3.0
428.28934	1.9
440.29239	3.3
441.29575	13.6
491.35043	11.5
509.35953	4.8
514.15009	2.4
521.35785	15.7
583.41278	9.1
601.42603	38.6
601.55377	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.6
55.05306	2.7
55.05516	28.5
55.94722	3.2
57.07087	15.7
59.48002	2.6
65.03947	6.7
67.05510	40.9
68.05835	4.0
69.03427	13.3
69.07066	24.8
69.22410	22.1
69.22817	5.2
71.04989	9.4
71.08622	7.6
79.05502	40.9
81.03432	8.2
81.07056	49.7
83.04990	20.0
83.08628	19.1
85.06551	6.9
85.10186	4.5
87.04462	4.1
89.06054	29.9
91.05488	64.6
93.07051	77.5
95.04982	26.9
95.08603	38.0
97.06529	20.7
97.10150	3.3
103.05497	3.2
105.07040	100.0
107.04963	5.2
107.08608	68.0
109.06500	21.0
109.10165	33.6
111.08105	4.7
113.09625	4.7
115.05457	10.1
116.06248	3.4
117.07027	27.4
119.06087	2.6
119.08593	84.3
121.06527	15.5
121.10155	57.4
123.08066	31.5
123.11658	6.3
125.09647	17.8
126.38963	2.5
128.06256	17.0
129.07048	20.5
130.07784	12.5
130.37024	2.9
131.04829	2.9
131.08569	42.3
132.09363	3.5
133.06488	5.2
133.08611	11.0
133.10133	50.0
135.08063	19.2
135.11723	14.9
137.09628	14.1
139.11172	5.0
141.06969	17.7
142.07819	33.8
143.08583	52.7
144.09290	13.3
145.06516	5.5
145.10132	68.7
147.08063	20.0
147.11696	19.0
149.09647	15.5
149.13272	6.0
151.07587	9.4
151.11139	2.9
153.07008	3.5
154.07722	6.3
155.08539	22.1
155.10689	10.7
156.09372	22.3
157.10136	72.0
158.07249	3.4
158.10954	13.8
159.08080	23.4
159.11678	46.3
160.08850	5.4
161.09700	18.1
161.13231	10.1
163.11215	9.2
165.07001	9.5
165.09123	9.6
166.07736	4.4
167.08548	16.2
167.10709	11.1
168.09326	10.3
169.10143	33.2
170.10851	16.7
171.08022	4.7
171.11713	42.4
173.09622	11.6
173.13292	22.3
175.11237	15.8
175.14810	6.8
177.11275	7.1
179.08611	16.6
179.14359	4.5
180.09317	10.1
181.10121	23.2
181.12236	6.8
182.10912	12.6
183.11719	35.0
184.12312	5.0
185.09657	6.4
185.13269	30.3
187.11214	6.3
187.14835	11.0
188.11856	3.8
189.12718	7.8
190.13499	5.1
191.14355	5.6
192.09375	4.5
193.08514	3.0
193.10146	17.3
193.12334	4.3
194.10901	12.2
195.11722	33.5
196.12477	9.7
197.09622	3.5
197.13269	35.7
198.13715	3.6
199.11215	12.5
199.14827	13.9
200.15501	5.3
201.12788	4.0
201.16472	3.7
203.10492	3.4
203.14273	9.8
205.10149	5.9
206.10942	6.6
207.11757	19.3
207.13608	4.0
208.12474	9.3
209.13309	28.5
210.14030	5.2
211.11223	4.8
211.14836	21.0
213.12808	8.3
213.16379	6.6
215.14307	9.5
217.10310	3.7
218.10934	3.6
219.11662	9.3
219.13712	4.4
220.12424	9.5
221.13240	15.1
221.15375	21.7
222.13963	5.1
223.11250	4.3
223.14824	19.7
225.12798	8.8
225.16385	9.7
227.14293	3.2
229.15956	3.6
231.11636	5.5
231.13722	3.8
233.13235	7.3
233.15442	21.7
234.13971	5.6
234.16162	4.7
235.14867	11.4
236.15546	4.5
237.16508	14.7
239.14346	4.4
239.18126	5.4
241.15872	4.2
243.13927	4.2
245.13289	3.8
247.14792	8.3
247.17064	5.0
249.16434	8.9
251.14394	3.7
251.18147	3.9
253.15895	7.1
255.17500	28.0
257.18976	3.2
259.14682	5.6
261.16330	8.8
263.17935	8.3
265.15823	4.5
265.19507	5.1
269.18936	6.8
270.19873	7.8
273.16226	5.2
273.18741	3.7
275.17807	3.9
275.20486	4.1
277.19446	3.9
279.17535	4.1
281.19034	7.0
285.18689	6.4
287.20166	5.6
289.19540	3.8
293.18735	3.3
295.20468	4.4
299.20181	7.1
313.27258	3.6
335.23715	3.0
347.23813	5.0
351.23093	4.4
365.24701	5.2
383.25726	7.3
415.25070	5.3
567.38263	4.7
582.40179	4.2
600.41870	20.1
601.40228	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
54.83171	3.5
55.01865	4.5
55.05511	25.0
57.07058	15.5
67.05508	49.3
68.05819	5.5
69.03420	4.1
69.07069	23.4
69.34464	26.4
71.04991	3.7
71.08616	4.5
79.05491	37.3
81.03400	3.3
81.07057	56.7
82.07398	6.7
83.04988	10.4
83.08635	20.1
84.32592	3.6
85.06567	4.8
85.33452	4.2
89.06054	27.3
91.05495	48.1
93.07047	53.0
93.40797	3.9
94.07338	5.3
95.04967	13.9
95.08602	48.4
95.56489	3.7
96.08920	7.2
97.06531	10.3
97.10171	7.8
105.07024	59.8
107.04918	5.7
107.08617	40.6
108.08906	6.8
109.06522	15.4
109.10138	26.4
111.04461	4.3
111.08100	6.8
117.07048	22.5
119.08585	52.6
121.06515	8.5
121.10142	30.0
123.08067	16.4
123.11682	8.2
125.05988	9.5
125.09633	6.2
128.06218	5.1
129.06993	10.7
130.07794	4.9
131.08577	34.1
133.08595	11.7
133.10129	33.1
135.08080	23.0
135.11700	18.7
137.05994	5.1
137.09613	13.7
139.11191	5.0
141.07013	6.6
142.07756	13.5
143.08551	25.7
144.09277	8.0
145.10136	50.7
147.08054	23.8
147.11716	18.6
148.12015	3.9
149.09637	8.8
149.13280	5.2
151.07541	14.2
155.08531	16.1
156.09328	8.3
157.10156	37.6
159.08040	13.9
159.11699	22.4
161.09602	15.4
161.13220	7.0
163.11249	18.7
163.12401	4.0
165.09129	40.3
167.08614	5.0
169.10101	19.2
170.10770	4.1
171.11662	21.6
172.08789	5.5
173.09618	9.2
173.13257	8.8
175.11212	19.1
177.11195	9.2
177.12677	5.7
180.11472	6.0
181.10081	7.3
181.12218	17.4
183.11681	16.3
185.13310	7.6
187.11205	9.6
189.12799	9.4
190.13467	8.5
191.10721	7.7
193.10228	6.1
193.12222	14.4
194.11037	5.3
195.11717	11.7
197.13269	15.3
199.11200	7.3
201.12746	11.0
201.16508	4.4
203.14273	17.9
207.11707	9.1
207.13823	11.8
208.14558	6.9
209.13239	10.1
211.11235	4.1
211.14862	12.3
213.12744	4.5
219.11693	5.1
219.13799	5.9
221.13365	6.8
221.15358	100.0
223.15009	6.1
225.16501	4.7
227.14375	5.4
233.13280	5.0
233.15344	6.4
234.14069	3.6
234.16054	21.2
235.14735	4.3
237.12708	5.3
241.15871	5.6
247.14856	3.8
247.16946	31.8
259.16895	4.7
267.17242	5.5
273.18423	4.3
274.19266	10.2
281.18912	4.1
287.20160	10.2
297.18533	6.5
299.20068	15.5
301.16428	5.5
311.20068	5.2
312.20782	5.6
313.21490	7.0
325.21579	13.9
327.23169	6.2
339.28888	13.0
340.24173	10.2
352.23904	32.2
365.24753	6.4
366.25113	4.3
370.20901	7.8
377.24759	5.0
379.26282	6.0
387.25333	7.3
400.26544	5.1
413.26550	4.6
415.25491	4.5
419.29376	12.5
420.30206	4.4
425.26685	7.2
426.20169	6.9
427.28189	9.1
440.29141	45.1
442.30606	4.9
444.29544	5.1
452.21799	4.6
508.35645	7.3
512.23828	6.0
512.57245	4.0
513.24158	16.8
520.35516	31.3
540.23291	24.3
585.39282	8.6
600.25421	42.9
600.40948	26.6
600.50128	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.5
53.03943	3.1
55.05510	10.0
57.07071	9.5
57.97454	1.4
59.04991	5.5
65.03938	4.1
67.05511	19.7
69.03426	10.6
69.07066	9.1
69.19555	17.9
70.06320	1.3
70.06602	13.6
71.04961	2.5
72.23538	1.5
77.03922	2.8
78.10065	1.6
79.05491	23.1
80.93568	1.5
81.07056	25.0
83.04990	9.2
83.08611	6.4
83.68475	1.7
85.06539	3.7
87.04443	2.6
89.06027	6.7
91.04942	1.5
91.05479	38.1
93.07047	48.4
95.04961	14.2
95.08618	24.5
97.06551	5.3
103.05464	4.9
105.04482	2.5
105.07034	100.0
107.04940	3.0
107.08597	36.1
109.06528	13.2
109.10164	15.3
111.08090	4.4
115.05463	5.7
116.07092	14.6
117.07009	16.7
119.08589	57.9
119.96027	1.5
120.09344	3.4
121.06532	13.2
121.10149	31.1
122.14011	1.7
123.04428	1.8
123.08066	24.4
123.11703	2.3
125.06020	2.5
125.09661	4.0
128.06224	10.0
129.06995	16.4
130.07820	8.0
131.08565	29.1
132.09309	2.8
133.06511	5.3
133.08609	3.1
133.10135	31.3
135.08057	16.4
135.11696	8.5
137.05991	2.1
137.09618	12.2
139.07497	2.0
139.11174	1.7
141.06993	5.9
142.07794	22.1
143.08566	34.2
143.50055	1.8
144.09355	10.9
145.06491	4.5
145.10135	44.1
146.07289	1.8
146.10786	3.0
147.08049	22.7
147.11697	11.3
149.09619	13.9
151.07559	8.5
151.11133	2.6
153.06998	2.7
154.07791	4.0
155.08571	15.3
155.10562	2.7
156.09363	15.8
157.10133	51.1
158.10965	8.1
159.08115	10.9
159.11708	28.8
160.08879	2.0
161.09639	15.8
161.13283	5.6
163.11136	9.4
165.06979	6.6
165.09125	32.2
166.07841	2.6
166.09508	1.9
167.08543	6.9
167.10706	7.6
168.09366	6.3
169.10123	19.2
170.10959	10.2
171.08008	2.6
171.11690	27.5
172.12384	5.9
173.09657	10.1
173.13261	14.7
175.11200	17.4
175.14865	3.1
177.12848	2.3
178.07710	2.0
179.08598	8.4
179.10564	2.4
180.09311	4.7
181.10185	13.3
181.12164	8.3
182.10933	6.4
183.08125	1.7
183.11665	20.1
184.12463	3.1
185.09674	4.8
185.13245	15.6
186.13971	2.1
187.11179	6.7
187.14862	5.4
188.12004	3.1
189.12726	9.5
190.13583	8.8
191.08524	2.7
191.10716	2.3
191.14377	3.4
192.09346	3.7
193.10385	8.8
193.11946	8.4
194.10866	8.4
195.11763	17.7
195.13551	3.1
196.08977	1.8
196.12469	4.9
197.09604	4.0
197.13249	21.9
198.13800	2.2
199.11186	7.6
199.14806	8.0
200.11975	2.2
201.12801	5.8
203.14352	20.6
205.10175	2.1
206.10938	4.5
207.11705	11.5
207.13785	8.0
208.12485	6.4
208.14542	6.6
209.09639	3.0
209.13275	13.7
209.15237	3.1
210.13974	3.1
211.11217	6.6
211.14815	9.5
213.12741	7.3
213.16383	4.0
215.10669	2.3
215.14354	5.0
217.10075	2.2
217.15820	1.8
218.10896	2.1
219.11684	4.3
219.13840	4.8
220.12457	4.8
221.13268	6.5
221.15341	51.3
222.15919	2.3
223.14825	10.5
224.15497	1.9
225.12848	4.2
225.16342	5.5
227.14320	5.0
229.15807	2.3
231.11653	2.6
232.12399	2.3
233.13240	4.7
233.15350	18.1
234.14023	2.3
234.16196	8.1
235.14838	6.7
237.12741	3.7
237.14665	19.4
237.16917	2.0
239.14337	3.2
239.17850	2.6
241.15897	3.0
244.12477	2.4
245.13248	3.9
246.14026	2.6
247.14790	4.3
247.17000	5.3
248.14058	7.4
249.16434	4.3
251.14230	3.3
251.18190	2.8
253.15858	6.0
255.17427	15.6
259.17065	2.2
261.16415	4.9
263.18088	2.3
265.15814	3.0
267.17453	2.6
268.18173	3.3
269.19022	3.1
270.19565	2.6
271.14981	7.8
273.18591	2.4
274.19290	8.9
275.14426	2.3
279.17462	3.6
281.18933	4.4
285.18417	6.4
286.19299	9.1
287.20105	4.0
291.20728	2.0
294.19745	3.1
295.20490	2.7
299.20303	10.1
303.19583	27.5
312.20648	5.5
313.21689	10.7
319.20474	2.4
325.21689	9.6
327.16815	1.8
337.21597	6.4
347.23700	2.9
352.23975	52.1
359.23828	2.2
365.24896	12.8
375.21802	6.6
377.24774	4.1
383.25937	2.0
502.34415	8.8
503.34885	4.8
505.33554	2.7
507.34647	6.1
508.35501	2.3
520.35425	23.5
585.39069	2.2
600.41870	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36029	1.3
51.48496	1.2
53.03941	3.9
55.01867	1.9
55.05511	7.7
57.07084	9.5
59.04998	3.5
67.05508	13.3
69.03437	8.2
69.07053	6.8
71.04974	1.6
79.05492	13.2
81.03419	2.6
81.07063	22.2
82.50284	1.5
83.04983	8.6
83.08624	3.4
83.50152	1.3
85.06539	6.8
86.62528	1.6
89.06026	2.7
91.05481	27.1
93.07047	30.8
94.82852	1.5
95.04969	8.5
95.08603	21.4
97.06525	4.8
97.10153	1.4
98.21538	3.2
105.07034	43.4
105.20591	1.4
107.08600	23.3
109.06536	11.5
109.10147	8.9
110.15163	1.6
111.08083	2.1
115.05494	2.9
117.07041	13.6
119.08587	51.9
120.09396	2.0
121.06505	8.6
121.10143	19.6
122.07297	1.9
123.08086	15.7
123.11703	2.8
125.06042	9.4
128.06226	4.3
129.07060	8.3
130.07814	3.9
131.08571	20.7
132.09364	3.2
133.06493	4.6
133.08609	3.2
133.10130	21.5
135.08054	18.7
135.11681	7.9
137.06018	2.0
137.09622	13.1
139.07539	2.2
141.06998	4.8
142.07758	9.6
143.08586	22.1
144.09325	6.1
145.06490	4.1
145.10127	35.9
147.08055	25.7
147.11719	8.0
148.08690	2.2
149.09631	11.9
150.10463	2.6
151.07567	10.9
151.11101	2.0
155.08517	7.2
156.09332	7.6
157.10124	29.9
158.10875	8.1
159.08076	6.6
159.11688	19.4
160.08844	3.0
160.12383	1.7
161.09598	8.4
161.13202	7.3
163.11215	17.8
165.07039	2.4
165.09108	37.5
166.09373	2.9
167.08662	3.8
167.10515	1.5
168.09355	4.2
169.10172	16.1
170.10863	3.8
171.07974	2.3
171.11697	18.2
172.12448	3.1
173.09595	8.1
173.13281	9.3
175.11212	17.5
175.14780	2.1
177.09152	4.0
178.09868	3.2
179.08560	4.0
179.10701	2.5
180.09302	2.8
180.11475	4.2
181.10153	7.7
181.12231	18.5
182.10893	5.5
183.11705	14.0
184.12444	2.9
185.09674	3.3
185.13264	10.5
186.14073	2.3
187.11191	6.7
187.14751	4.3
189.12791	8.5
190.13509	8.4
191.10664	5.5
192.09387	1.7
193.10167	5.5
193.12268	13.9
194.10954	4.2
195.11700	11.3
195.13432	2.1
196.12511	2.4
197.09669	3.1
197.13292	12.2
199.11224	5.5
199.14818	3.4
199.79710	1.6
201.12749	5.5
203.14301	17.8
206.11063	2.4
207.11684	4.3
207.13844	9.3
208.12613	3.1
208.14586	8.8
209.09653	2.6
209.13509	7.6
209.15256	3.2
211.11221	4.0
211.14729	8.4
212.12061	1.8
213.12744	6.3
215.14362	3.1
216.15053	2.1
219.11862	2.9
219.13846	5.7
221.13451	4.1
221.15369	100.0
222.15799	5.2
223.11275	2.9
223.14865	5.8
225.12738	3.0
225.16299	4.0
227.14349	2.8
229.15871	3.0
229.56352	2.0
233.13261	2.8
233.15369	3.5
234.13873	2.7
234.16124	23.4
235.14932	3.3
237.12675	3.0
237.16417	3.2
241.15857	2.7
243.13972	2.0
245.15382	2.1
247.16951	26.5
248.17709	3.2
249.16382	1.8
251.14319	4.0
259.17053	3.5
261.18506	2.8
267.17337	2.3
269.15494	2.0
271.16891	3.9
274.19260	14.4
275.17761	1.9
279.17508	4.0
281.19037	3.7
285.18527	2.3
286.19250	5.2
287.20181	10.1
297.18665	3.2
299.20105	13.5
307.20459	3.7
309.18585	2.2
310.19278	1.7
311.20047	5.1
312.20844	7.7
313.21570	6.9
323.20190	1.8
325.21609	12.7
327.23169	4.0
337.21664	4.2
339.23105	7.4
340.24020	17.5
352.23962	32.5
353.24713	2.2
365.24603	6.1
366.25662	2.4
377.24503	2.3
379.26300	3.4
387.25211	5.6
391.26566	4.0
400.26266	2.6
413.26746	5.9
419.29648	11.1
425.26767	7.6
426.27557	4.5
427.28439	14.1
440.29245	42.4
442.30798	4.2
494.34067	2.2
505.33105	2.5
507.34390	2.8
508.35342	7.4
520.35486	29.4
521.35944	3.7
582.40259	1.8
585.39398	2.5
600.41656	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
53.37554	1.8
55.01868	2.3
55.05514	9.9
55.92202	1.9
57.07081	12.8
59.04994	3.6
60.60457	1.8
61.02525	2.1
67.05508	15.2
69.03434	9.3
69.07050	6.3
69.28275	7.0
69.28709	8.8
78.66203	1.9
78.66737	1.8
79.05495	15.5
81.07062	23.4
83.04983	8.3
83.08600	2.7
85.06527	4.2
89.06054	4.8
91.05490	31.7
92.06269	2.6
93.07051	35.4
95.04968	9.0
95.08616	21.8
97.06517	5.7
105.07036	48.5
106.07884	2.1
107.08597	22.9
109.06548	10.5
109.10143	10.6
111.08054	2.2
115.05431	3.7
117.07016	15.3
119.08591	63.3
120.09390	3.4
121.06493	8.5
121.10154	23.4
122.07294	3.1
123.08089	17.5
123.11722	4.1
125.05994	11.0
128.06218	7.0
129.07016	13.9
130.07788	5.7
131.08588	27.9
132.09386	2.7
132.78880	2.0
133.06519	5.7
133.08603	2.7
133.10139	26.7
133.79971	2.0
134.10880	2.0
135.08055	19.3
135.11702	8.2
135.99373	2.0
137.05974	2.4
137.09624	13.1
139.07544	2.8
141.07031	4.5
142.07829	9.9
143.08594	20.0
144.09320	8.3
145.06635	2.3
145.10136	43.9
146.10623	1.8
147.08060	29.1
147.11667	7.2
149.09624	15.9
151.07541	11.5
153.07120	2.1
153.09210	2.2
155.08536	9.7
156.09387	9.2
157.10136	36.0
158.10872	5.8
159.08052	7.8
159.11703	23.9
160.08842	2.5
161.09668	10.9
161.13222	7.9
162.10382	2.4
163.07544	3.2
163.11171	21.8
165.07002	3.1
165.09137	43.5
166.09406	2.4
167.08577	4.2
168.09331	3.3
169.10133	17.5
170.10916	5.5
171.11697	17.7
172.08783	2.3
172.12415	3.1
173.09622	8.7
173.13257	10.9
175.11197	25.0
175.14844	3.0
177.09126	3.1
177.12773	3.0
178.09984	3.7
179.08583	2.9
179.10648	3.0
180.11469	2.9
181.10075	8.7
181.12248	21.6
182.10867	6.0
183.07942	2.0
183.11702	19.8
184.12494	2.9
185.09567	4.1
185.13274	8.4
187.11171	5.5
187.14871	2.3
189.12796	10.2
190.13475	11.7
191.10681	7.0
191.14362	3.4
192.09322	2.1
193.10150	5.2
193.12244	14.4
194.10925	4.1
195.10107	1.9
195.11717	10.6
195.13408	2.5
196.12366	4.5
197.09650	3.6
197.13266	12.8
199.11148	7.4
199.14809	5.2
201.12784	6.9
203.14305	24.6
207.11670	5.7
207.13838	11.3
208.12585	4.1
208.14586	9.6
209.13324	12.1
209.15170	2.0
210.10211	2.8
211.11191	3.1
211.14853	8.5
212.15620	3.2
213.12785	5.7
215.14278	4.5
216.15111	2.2
219.11862	3.2
219.13747	10.2
221.13457	4.6
221.15375	100.0
222.15749	5.0
223.11169	4.2
223.14885	6.2
225.12711	5.3
226.33463	2.0
227.14279	4.8
229.12357	2.3
229.15982	2.6
232.78114	1.9
233.13309	3.7
233.15436	3.1
234.14088	3.8
234.16141	23.4
237.12639	2.6
237.16348	2.6
239.14291	3.7
239.17924	2.9
240.18633	3.8
241.15855	4.4
243.13689	2.7
245.13019	2.1
247.14491	3.1
247.16948	41.0
249.16301	3.0
251.14284	3.5
253.15851	6.0
259.16965	6.5
263.18152	2.2
265.15906	3.1
265.19476	2.5
269.15390	2.7
271.16992	4.5
273.18744	3.3
274.19342	17.0
279.17551	3.2
281.18857	2.9
285.18530	4.1
286.19211	3.5
287.20114	14.3
297.18719	4.4
298.19339	3.7
299.20090	18.8
307.20535	2.6
311.20123	4.5
312.20868	9.1
313.21652	8.4
323.19891	2.3
325.21683	15.0
327.23090	3.3
337.21628	5.7
339.23193	4.1
340.24005	17.4
352.23947	33.0
365.24863	5.5
366.25662	4.9
379.26230	3.6
387.25433	4.5
391.26556	4.8
392.26932	3.4
400.26071	3.4
413.27036	6.0
419.29373	13.0
420.29883	4.0
425.26910	8.8
426.27548	6.2
427.28491	16.3
440.23499	4.1
440.29260	56.1
442.30579	5.7
494.33902	3.7
507.34286	2.2
508.35217	8.6
520.35571	33.8
521.35767	2.8
549.58801	2.2
585.39490	6.5
600.41492	30.8
600.49951	3.2
601.41602	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.7
55.05517	19.4
57.07064	16.4
57.53893	3.7
58.01222	3.5
59.05001	5.8
65.03938	4.7
67.05512	33.5
69.03421	14.1
69.07066	15.2
71.51776	4.9
72.67450	3.5
79.05492	29.0
81.07066	42.3
82.50344	3.3
83.04965	15.4
83.08619	9.2
85.06532	8.2
89.06042	10.5
91.05486	51.6
93.07049	70.2
95.04967	22.5
95.08623	42.0
97.06519	6.8
97.38232	3.7
103.05470	5.1
105.07040	89.9
107.04926	4.2
107.08601	47.4
109.06528	18.2
109.10142	16.7
111.08040	4.5
115.05444	7.8
117.07036	24.6
119.08582	84.7
121.06508	15.9
121.10161	46.1
123.08079	30.0
125.05999	5.5
125.09637	7.0
128.06226	11.9
129.06972	25.0
130.07796	9.6
131.08574	42.5
132.09294	4.0
133.06493	11.0
133.08594	7.4
133.10135	42.4
135.08076	33.1
135.11694	19.8
137.09621	17.9
141.07021	12.2
142.07773	27.6
143.08580	48.4
144.09323	14.9
145.06493	5.4
145.10123	67.2
146.10916	5.3
147.08080	36.2
147.11679	19.9
149.09663	21.2
150.10405	3.8
151.07538	16.7
151.11124	4.5
153.06979	3.6
155.08565	22.0
156.09314	19.7
157.10132	79.6
158.10887	15.4
159.08035	15.2
159.11694	39.6
160.08836	4.4
161.09624	17.7
161.13239	8.9
163.11209	20.4
165.09120	53.4
166.07733	3.9
167.08539	11.3
167.10657	10.7
168.09387	5.9
169.10138	29.2
170.10887	14.7
171.08017	5.3
171.11722	50.3
172.12494	7.6
173.09639	13.5
173.13313	20.4
175.11162	24.5
175.14786	5.4
177.09140	5.2
177.12714	4.5
179.08559	13.9
180.09276	6.0
181.10146	16.2
181.12277	8.4
182.10945	5.4
183.11687	26.6
184.12486	5.5
185.09650	5.5
185.13269	25.7
187.11127	10.3
187.14781	5.4
189.12755	16.9
190.13545	13.5
191.10587	4.8
191.14320	4.6
193.10136	13.3
193.12209	11.6
194.10887	7.4
195.11670	26.2
196.12592	7.3
197.09656	8.2
197.11751	4.6
197.13280	25.8
199.11150	10.9
199.14822	6.4
201.12782	9.4
203.10643	5.1
203.14311	35.0
207.11717	17.6
207.13820	20.1
208.12479	9.0
208.14427	7.4
209.13281	18.3
209.15231	5.5
210.14026	9.2
211.14784	14.8
212.11942	4.9
212.15245	4.0
213.12737	10.9
215.10760	4.5
215.14365	5.8
217.12401	4.9
219.11783	9.2
219.13766	7.1
221.13283	12.2
221.15352	95.3
223.11133	4.6
223.14813	12.5
225.12857	7.7
225.16409	11.0
232.12630	4.3
233.13217	10.7
233.15390	20.2
234.16124	11.3
235.14919	8.7
237.12727	7.0
237.14693	35.2
239.14301	4.6
241.15822	5.3
247.14783	5.5
247.16914	9.8
248.13919	8.1
249.16371	7.0
250.15749	5.0
255.17456	25.2
259.14508	5.2
259.16904	9.9
261.16394	6.3
270.19614	4.8
271.17023	8.2
274.19302	28.5
279.17493	5.9
281.18909	5.9
285.18646	6.4
286.19293	15.6
287.20023	12.6
289.19431	5.5
294.19910	9.1
299.20065	13.2
303.19534	49.6
312.20874	7.5
313.21744	27.9
319.20517	6.1
325.21594	13.8
337.21494	11.6
352.23996	100.0
359.23730	5.3
365.24939	26.3
391.26511	4.7
412.43802	4.0
502.34274	13.4
503.35300	9.3
505.32803	10.3
507.34650	13.8
520.35370	39.1
567.38928	4.7
582.40375	4.1
592.06824	4.7
600.41821	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	3.3
52.54855	2.0
53.03948	6.4
55.01868	5.3
55.05310	2.1
55.05515	26.3
56.76512	2.3
57.07066	9.7
62.56836	3.3
65.03931	5.4
67.05508	32.2
69.03429	15.6
69.06778	2.5
69.07075	24.8
71.04979	8.0
74.74218	2.2
75.05151	2.2
79.05498	42.1
81.07056	45.4
83.04980	18.2
83.08602	10.6
85.06530	8.4
87.04482	4.1
89.06039	2.1
91.05486	63.5
93.07049	72.6
95.04974	24.9
95.08605	34.6
97.06538	15.4
97.10176	2.9
103.05458	5.7
105.04474	2.7
105.07037	100.0
107.04935	3.8
107.08598	70.7
108.09427	2.9
109.06520	22.7
109.10160	32.7
111.08080	4.9
113.09634	6.6
115.05476	7.4
116.06266	3.5
117.07005	25.6
119.08593	89.0
120.09375	3.0
121.06538	18.9
121.10146	66.3
122.07217	2.3
123.08071	34.1
123.11681	7.2
125.05997	4.1
125.09634	12.8
128.06256	20.3
129.07013	33.2
130.07788	10.7
131.08582	50.6
132.09326	3.4
133.06516	6.4
133.10132	54.9
135.08083	19.9
135.11691	12.4
137.09601	14.2
139.07674	2.4
139.11188	4.9
139.88731	2.6
141.07004	14.1
142.07799	31.0
143.08575	62.1
144.09369	16.6
145.06496	8.3
145.10133	83.3
146.07219	3.7
146.10910	3.4
147.08066	22.0
147.11696	25.1
148.08789	3.2
149.09633	20.1
149.13251	4.9
151.07541	12.6
153.06995	6.4
154.07826	3.1
155.08559	26.3
155.10643	12.7
156.09348	26.3
157.10138	85.6
158.10942	11.5
159.08060	22.7
159.11700	45.5
160.08841	6.8
161.09608	18.2
161.13292	11.4
163.11176	12.0
165.06984	10.6
165.09116	19.4
166.07782	6.3
167.08594	17.2
167.10701	22.1
168.09358	9.3
169.10149	39.7
170.10941	13.3
171.08104	5.1
171.11705	53.7
172.12448	8.2
173.09654	15.2
173.13263	24.6
175.11217	23.7
175.14842	7.8
177.12817	3.7
179.08594	17.2
179.10753	3.9
180.09346	8.5
181.10127	25.6
181.12259	8.1
182.10880	16.1
183.08173	4.2
183.11725	34.9
184.12520	4.4
185.09653	9.2
185.13287	25.8
186.10387	2.8
186.13991	5.6
187.11179	10.9
187.14833	12.4
189.12817	12.3
189.14230	2.4
190.13492	8.4
191.08473	2.8
191.14354	3.7
192.09380	7.2
193.10135	20.5
193.12221	6.6
194.10896	13.3
195.11694	33.9
196.12509	12.4
197.09593	5.5
197.13243	30.1
198.14000	5.6
199.11263	10.5
199.14833	20.6
201.12712	9.9
201.16428	4.0
203.08664	3.3
203.14328	16.5
205.10118	7.4
206.10944	8.1
207.11702	25.0
207.13817	9.4
208.12485	12.8
208.14395	4.8
209.13304	31.6
209.15230	3.4
210.14131	5.3
211.11212	7.3
211.14838	24.4
212.12007	4.3
213.12793	12.3
213.16348	6.9
215.14235	12.0
216.15065	3.3
217.10178	4.5
217.15874	5.3
218.10968	3.4
218.16649	5.2
219.11871	10.9
219.13693	4.4
220.12500	10.4
221.13251	16.4
221.15402	42.9
222.13947	6.4
223.11078	5.0
223.14816	19.9
225.12785	8.8
225.16295	11.5
226.17052	3.0
227.14326	8.4
227.17986	2.7
229.15854	6.0
230.11034	3.0
231.11685	4.2
232.12448	5.5
233.13223	10.2
233.15364	33.4
234.14185	5.6
234.16168	11.4
235.14859	14.0
236.15616	4.3
237.12769	3.1
237.16734	13.1
239.14362	6.8
239.17899	3.2
241.15884	4.0
245.13293	6.0
246.14003	5.0
246.16263	3.6
247.14847	9.6
247.17027	5.4
249.16391	11.6
251.17952	5.6
253.15906	7.9
253.19531	3.6
255.17453	41.6
257.18988	3.7
258.14081	2.7
259.14859	6.6
260.15469	4.3
261.16409	10.5
262.17169	3.0
263.17987	6.7
265.19571	5.0
267.17395	4.2
268.18121	4.0
269.16092	2.1
269.19006	8.2
270.19769	7.8
273.18539	8.0
274.19363	4.7
275.17911	4.4
277.16074	3.2
277.19409	5.0
279.17563	5.0
281.18939	7.8
282.19879	3.1
283.20544	4.1
285.18469	8.5
286.19293	5.8
287.20099	7.6
289.19513	4.9
293.18991	3.0
294.19806	4.4
295.20605	8.6
297.18649	3.4
299.20480	11.4
300.20941	3.4
301.19434	3.6
303.19455	11.0
307.20499	2.9
309.22205	2.8
313.21625	5.2
319.20206	2.8
337.21735	3.0
347.23608	6.2
352.23959	23.6
360.24460	3.9
365.24847	12.6
383.25998	10.5
427.10098	2.9
487.32465	2.4
502.33575	2.7
507.34634	5.4
520.35522	12.5
567.38092	4.6
582.40320	3.6
585.39581	3.8
600.41559	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.8
53.03934	6.6
55.05511	18.8
57.07066	11.3
57.27966	3.3
59.05009	3.4
67.05518	19.4
69.03430	17.3
69.07066	15.5
69.14045	40.0
71.04983	3.3
79.05502	35.6
81.07063	32.3
83.04987	16.8
83.08617	9.7
84.37031	4.4
85.06538	7.4
85.47126	3.4
91.05482	51.7
93.07050	62.1
95.04953	22.0
95.08607	30.8
97.06525	8.4
98.21533	7.1
99.55905	3.7
103.05476	3.9
105.07027	100.0
107.08597	57.5
109.06531	19.1
109.10162	17.3
110.01468	3.6
110.55346	3.3
111.08113	6.7
114.03087	3.2
116.06251	5.8
117.07024	24.9
118.07771	3.6
119.04887	3.9
119.08586	74.9
120.09388	4.1
121.06520	13.7
121.10165	46.8
123.08082	28.7
125.05988	4.4
125.09647	8.4
128.06215	11.4
129.06981	18.0
130.07814	9.1
131.08569	41.2
133.06546	5.5
133.10139	38.4
135.08031	17.1
135.11690	14.5
137.09633	12.2
139.07510	5.6
139.11201	4.1
141.06917	8.5
142.07793	27.6
143.08569	49.0
144.09340	12.3
145.06499	7.4
145.10127	65.3
147.08052	29.2
147.11684	14.7
149.08595	3.3
149.09595	21.3
151.07547	14.8
152.43237	3.2
153.06985	7.6
155.08592	16.3
155.10619	4.7
156.09311	15.4
157.10144	70.6
158.10832	5.1
159.08072	21.6
159.11682	37.2
160.08839	16.5
161.09653	24.3
161.13258	8.5
162.10329	4.4
163.11195	19.3
165.07027	9.7
165.09128	45.1
167.08595	5.5
167.10696	11.4
168.09369	4.1
169.10150	33.3
170.10870	10.4
171.11713	38.5
172.12454	4.9
173.09636	12.8
173.13255	15.9
174.10399	4.7
175.09860	4.6
175.11198	26.5
175.14877	4.5
179.08537	12.7
180.09258	6.9
181.10129	11.8
181.12271	14.1
182.10905	7.1
183.11768	22.8
184.12386	6.6
185.09656	9.8
185.13316	26.2
186.13959	7.2
187.11188	12.4
189.12756	12.0
190.13524	10.6
192.09482	4.8
193.10120	10.9
193.12180	5.8
194.10895	8.0
195.11766	17.1
196.08987	3.7
196.12473	7.4
197.09822	4.2
197.11659	4.2
197.13332	16.3
199.11148	12.2
199.14877	7.9
201.12766	10.3
203.14366	19.3
203.16107	4.5
205.10219	5.6
207.11731	14.2
207.13841	12.0
208.12518	8.5
208.14589	6.4
209.13292	19.6
209.15086	4.8
210.13864	5.1
211.11206	3.5
211.14856	17.5
213.12776	10.0
213.16438	3.7
215.14406	5.6
217.10127	5.0
218.16756	6.1
219.11801	6.3
219.13779	7.6
220.12379	4.9
221.13286	12.8
221.15350	81.9
223.14836	13.9
225.12741	7.8
225.16420	8.5
227.14301	7.8
233.13284	11.5
233.15404	27.8
234.13976	5.0
234.16145	14.0
235.14822	7.4
237.12718	6.5
237.14589	26.5
239.14154	5.1
241.16042	5.4
245.13196	5.5
247.14761	9.0
247.17003	10.7
248.14040	7.9
249.16417	5.6
253.15912	11.8
255.17488	23.6
259.14694	6.3
259.17160	5.1
261.16412	7.8
263.17975	3.9
267.17499	5.3
269.19089	5.7
270.19742	7.1
271.16998	10.7
274.19382	8.6
279.17520	8.0
281.18942	8.1
285.18701	4.6
286.19305	15.2
287.20071	11.3
294.19864	4.2
297.18555	6.8
299.20013	10.8
303.19650	42.2
311.20135	7.0
312.20840	5.3
313.21649	12.6
319.20599	4.2
325.21570	15.2
337.21597	9.4
347.23846	4.0
352.23993	74.1
365.25009	16.6
366.25400	4.4
383.25909	6.7
439.28745	5.6
487.31342	5.7
502.34595	10.0
503.34644	4.2
507.34576	9.8
520.35449	34.3
585.39398	5.4
600.41144	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	600.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01869	1.3
55.05510	3.5
55.40590	0.8
57.03440	1.0
57.12551	0.8
57.98789	1.0
58.99594	19.5
59.46616	0.7
59.78592	0.9
67.05512	11.0
69.03413	1.8
69.07077	5.9
69.31596	4.8
69.32021	2.9
71.04989	1.3
76.02234	80.3
76.03994	2.5
79.05507	6.5
81.03430	2.3
81.07066	13.9
83.04979	4.3
83.06100	2.4
83.08627	2.1
84.04042	1.3
84.04510	13.6
86.99065	4.4
88.02222	1.8
91.05492	8.7
93.07043	10.4
95.04968	3.0
95.08614	7.8
97.01151	1.0
97.02880	1.5
97.06526	2.4
97.10176	1.8
100.03782	0.8
103.05473	0.8
105.07052	11.1
107.04950	2.5
107.08598	6.9
109.06529	4.1
109.10168	5.5
111.08085	1.4
116.01688	22.5
117.07018	3.9
119.08583	8.0
121.06498	5.5
121.10146	4.8
123.08054	2.4
125.09566	0.9
127.05109	1.0
129.06648	1.1
130.05034	5.9
131.08595	7.6
133.06525	1.1
133.10114	7.3
135.08109	2.0
135.11705	2.8
137.09624	1.2
142.03250	6.9
143.08557	2.4
144.01163	14.6
145.06433	1.0
145.10117	5.6
147.08055	2.3
147.11691	4.1
149.09720	1.9
149.13278	1.6
151.11205	1.8
157.10126	1.2
159.11702	3.9
161.09639	2.1
162.02216	40.3
163.11192	2.9
169.10062	1.0
170.02757	3.2
171.11627	1.3
173.09633	1.2
173.13245	1.8
175.11200	1.7
176.68137	0.9
179.04872	100.0
183.11800	1.0
187.05339	2.7
201.12723	1.2
207.13765	2.1
215.04898	1.8
219.13744	1.6
231.17410	1.4
233.05942	15.7
239.17984	1.4
245.05920	2.9
247.20813	1.0
257.19019	3.2
273.18533	4.3
275.20078	30.8
276.20474	1.1
290.08023	1.5
291.06436	2.3
291.19476	3.0
293.21130	19.7
308.09152	26.6
327.15570	0.8
348.77679	0.8
351.20294	1.5
368.22595	7.6
429.44812	1.0
453.24146	6.0
525.26233	2.4
582.28625	1.5
594.90894	1.0
600.29846	7.7
601.30743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85450	0.4
61.33989	0.3
63.66551	0.3
64.43107	0.3
69.03430	0.6
70.96051	0.7
85.02917	2.1
91.05476	2.0
97.02874	1.0
103.05445	0.4
105.07020	1.4
107.04958	0.8
109.02892	0.4
115.05441	1.4
116.06245	0.7
117.07007	1.0
121.06488	0.5
127.03890	0.6
128.06245	1.9
129.07001	5.7
130.07788	0.5
131.04941	0.5
131.08583	6.2
132.05658	0.7
133.06476	0.8
133.10088	0.4
135.97772	0.3
141.06990	1.8
142.07813	0.7
143.08557	1.0
144.05679	2.9
145.04889	0.6
145.06465	1.3
146.07275	1.0
152.05827	0.3
153.06924	0.8
155.06032	0.4
156.05736	0.8
157.06517	3.0
159.08058	11.5
160.05205	0.4
161.05995	1.0
161.09619	3.3
162.07672	0.8
167.07060	2.0
169.06429	0.5
169.07635	1.1
170.07266	1.9
171.08058	2.4
172.05145	1.0
173.06006	1.5
174.06781	0.7
175.07544	0.9
180.08681	0.5
187.07568	8.7
189.05478	0.7
189.09097	3.8
191.07045	0.4
193.08592	0.7
198.06728	0.6
199.07552	1.4
203.07057	1.3
204.07843	5.1
205.08633	1.0
206.09380	0.5
216.07860	1.7
217.08707	0.8
218.09364	0.9
219.10185	2.0
221.08249	0.5
221.11758	1.3
231.10168	2.6
237.11246	1.1
249.11234	100.0
250.11575	1.0
253.21552	0.3
267.12286	1.0
596.66498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.5
65.41402	0.3
67.05536	0.3
67.63441	0.4
69.03432	0.7
69.25545	0.3
71.51218	0.5
85.02921	1.8
91.05473	1.1
97.02882	0.8
103.05465	0.5
105.07030	1.0
107.04953	0.7
115.05488	1.0
116.06252	0.4
117.06987	0.5
119.70605	0.4
123.04409	1.0
128.06239	1.7
129.07028	4.5
131.04924	0.6
131.08580	5.3
133.06473	0.9
133.10159	0.4
136.06226	0.4
139.03906	0.8
141.07002	1.6
142.07794	0.6
143.08626	1.0
144.05714	1.5
145.06476	1.6
146.07309	0.9
147.04391	0.5
153.06935	0.5
156.05705	0.8
157.06471	2.2
159.08066	9.5
160.05107	0.5
161.05965	0.6
161.09618	2.7
162.56602	0.4
167.07098	0.9
169.07655	0.7
170.07298	2.1
171.08093	2.6
172.05164	0.7
173.05978	1.1
174.06799	1.1
175.07500	0.8
187.07573	8.0
189.05472	0.6
189.09120	4.3
190.06444	0.5
191.06895	0.4
192.07784	0.9
198.06824	0.5
199.07571	1.2
203.06985	1.3
204.07834	4.5
206.09473	0.8
216.07851	1.1
217.08568	0.7
218.09473	0.4
219.10146	1.8
221.08069	0.6
221.11697	1.4
231.10234	2.9
237.11229	1.2
249.11246	100.0
250.11575	1.3
250.99146	0.4
267.12256	2.7
420.23685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01870	6.2
57.03435	3.6
59.48434	1.5
61.02914	5.1
61.08799	1.5
62.06109	2.3
65.03942	3.0
67.05500	1.8
69.03435	13.7
71.05000	1.6
71.50982	2.5
79.05482	6.0
81.03415	7.6
85.02909	29.8
87.95409	1.5
91.03914	1.8
91.04969	2.6
91.05489	29.9
93.07051	6.0
95.04964	5.1
97.02880	11.8
99.04447	3.9
103.05476	19.0
105.04516	1.8
105.06386	2.4
105.07040	23.1
106.04160	1.8
107.04968	9.8
108.05756	1.8
109.02867	4.0
109.06474	2.7
113.25311	1.4
114.80699	1.9
115.05434	3.0
119.04958	33.9
121.06529	15.4
123.04440	10.8
123.08073	4.6
125.06003	3.0
127.03950	8.3
129.07007	1.9
131.04935	47.0
132.05716	3.7
133.02838	10.7
133.06502	23.2
135.04424	4.9
135.08061	2.9
136.05193	2.3
137.05991	31.1
139.03891	3.1
139.07562	1.7
143.06046	1.9
145.04997	3.3
145.06522	3.0
147.04425	62.7
147.08026	9.9
148.05177	3.3
149.05991	26.5
150.06761	3.2
151.06435	3.1
151.07549	36.6
153.05463	15.7
155.07021	6.4
157.06541	3.0
160.05104	1.7
161.05997	44.3
162.06773	4.8
163.03862	3.7
163.07547	61.0
165.05518	12.4
167.07039	33.5
171.08078	1.7
173.05998	5.6
175.07552	38.2
177.05487	16.3
179.07048	91.8
180.07840	11.8
181.08594	11.4
183.06528	3.1
187.07552	3.0
191.07053	16.5
192.07808	15.1
193.08621	100.0
195.10040	2.2
197.08109	80.9
199.09666	9.4
200.25534	1.7
205.08591	16.5
207.06509	1.7
209.08067	14.0
210.08821	2.8
211.09561	1.8
221.08032	2.2
223.09660	10.6
249.11337	3.7
268.34268	1.8
301.10709	2.0
327.12292	12.1
329.13794	5.6
341.13226	3.6
347.14926	39.2
359.14856	15.3
377.16074	4.6
400.56842	1.9
423.56406	1.9
600.26477	6.8
601.12604	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.0
53.03943	7.7
55.01863	2.5
55.05515	38.8
57.07075	12.5
60.96131	2.2
65.03928	2.8
67.05508	78.3
69.07072	45.4
71.08644	6.0
71.52915	4.1
79.05499	54.5
81.07064	83.1
83.08629	28.8
85.06535	2.3
85.10167	2.8
89.06030	5.2
91.05482	26.8
93.07051	67.3
95.04998	4.7
95.08615	67.2
96.08932	3.3
97.06550	7.7
97.10165	17.4
99.08068	2.4
105.07046	22.6
107.08597	36.6
109.06516	2.4
109.10166	26.6
110.33823	2.0
111.11734	4.8
117.07018	7.9
119.08570	18.9
121.10153	43.9
123.11713	8.6
125.09641	2.7
131.08591	15.1
133.08592	3.4
133.10156	15.5
135.11690	24.3
137.13292	5.4
143.52728	2.0
145.10112	11.7
147.11691	6.8
149.13248	13.5
153.12750	2.2
153.55035	2.1
159.11746	9.5
161.13319	9.2
163.14821	6.7
171.11732	2.6
173.13330	7.4
175.14836	3.3
179.14240	2.1
187.14734	3.6
189.16371	2.9
194.83340	2.4
201.16339	2.4
233.22855	2.9
243.21078	11.1
254.79329	2.1
257.22757	2.3
261.22125	15.0
263.23611	2.5
265.18900	2.3
265.25330	8.2
278.34317	2.1
299.23474	3.3
317.24832	31.7
339.28931	28.9
367.35782	6.6
368.36166	4.4
369.36774	2.4
599.50342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.05521	25.3
55.79090	3.1
57.03427	5.0
57.07074	10.4
65.03919	4.3
67.05507	54.7
69.03413	13.3
69.07074	31.1
71.04980	5.3
71.51715	2.9
74.37731	3.1
79.05495	40.5
81.03419	12.0
81.07063	51.1
83.04983	9.8
83.08617	15.2
84.04514	14.8
91.05495	50.5
93.07053	72.5
95.04985	19.1
95.08615	38.9
97.06549	7.5
97.10171	9.1
103.05431	4.8
105.07050	66.9
107.04977	6.5
107.08596	44.2
109.06507	12.5
109.10162	28.6
111.11708	5.5
115.05425	6.7
116.06252	3.5
117.07008	21.8
119.08595	57.1
121.06503	8.6
121.10147	77.8
123.08081	21.1
123.11679	10.2
125.09653	7.7
128.06239	9.4
128.17725	3.3
129.06995	15.7
130.07799	4.0
131.08575	32.9
133.06541	6.0
133.10144	31.9
135.08057	12.0
135.11687	19.2
137.09627	7.8
139.11224	3.7
141.07025	4.2
142.07777	10.9
143.08575	23.7
144.09326	6.5
145.04047	3.2
145.06424	4.3
145.10138	40.9
147.03731	3.4
147.08067	14.5
147.11667	17.0
149.05974	4.9
149.09659	22.8
151.07561	16.5
155.08577	9.5
156.09357	12.9
157.10139	38.2
158.11009	4.4
159.08040	9.6
159.11726	20.9
161.09612	11.7
161.13354	5.1
163.11163	5.9
165.07060	4.4
165.09187	18.4
167.08578	4.9
167.10684	100.0
168.09279	6.6
169.10147	22.3
170.10896	5.1
171.11798	20.3
173.09584	8.1
173.13281	13.9
175.11174	6.1
175.14825	13.9
179.08600	3.2
179.14323	4.3
180.09296	3.6
181.10129	4.9
182.10985	4.1
183.11707	18.7
185.09662	8.3
185.13246	12.0
187.11209	5.6
187.14803	8.0
189.11230	3.9
189.12758	7.9
191.14348	4.7
193.10223	6.6
195.11748	12.7
196.12582	7.4
197.13275	14.6
199.11246	5.7
199.14738	4.9
201.16444	8.1
203.14311	8.0
206.10880	4.6
207.11768	8.7
207.13820	7.0
209.13330	8.7
211.11220	5.3
211.14827	6.9
213.12749	3.9
215.14395	9.7
217.15923	3.3
218.10832	5.7
221.13319	6.0
221.15392	32.6
223.14784	8.5
233.13260	5.6
233.15321	45.8
235.14796	3.9
235.16937	5.0
237.16345	4.7
239.18056	4.4
247.14861	3.9
249.10989	23.6
259.14844	3.8
261.63922	3.4
273.18668	5.9
287.14014	3.3
305.13644	5.4
311.20065	9.1
365.24585	5.2
377.24582	3.3
391.26373	4.9
393.23987	5.0
525.33154	4.1
581.39954	26.5
599.34430	38.2
599.40881	88.8
600.38214	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	599.2504
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05522	3.0
57.07068	1.8
65.03925	0.6
67.05518	6.4
69.07069	3.1
69.92072	2.0
69.92443	1.1
71.08645	0.6
75.23808	0.6
78.37895	0.6
79.05508	3.4
81.07065	5.8
83.08640	1.5
89.06049	1.7
91.05494	2.3
93.07068	3.4
95.04974	1.2
95.08627	4.1
97.10197	0.7
105.07059	3.3
107.08609	1.9
109.10172	1.7
117.07062	0.8
119.08543	2.6
121.10184	1.7
123.11743	1.2
131.08594	2.4
133.08582	0.6
133.10155	1.3
135.11732	1.7
145.10162	1.9
147.11736	1.0
159.11801	0.7
171.11768	0.8
173.13274	0.9
207.09161	0.6
220.09848	0.6
221.10808	0.8
221.15331	0.8
222.11497	1.2
223.12315	1.7
235.12309	1.3
236.13206	1.4
237.13940	2.5
238.14757	1.3
249.13957	1.7
250.10811	0.7
250.14673	0.7
251.11858	1.9
251.15616	1.4
261.13892	2.0
262.13596	0.5
263.11884	0.8
264.12735	0.8
279.14987	2.2
283.11459	0.6
286.13455	0.8
300.15097	1.0
312.14792	1.0
313.60187	0.5
314.16595	0.9
317.24655	1.3
324.15176	1.3
325.14490	1.4
326.16440	0.6
328.18268	1.3
329.19022	0.9
330.19812	1.2
336.15121	0.7
337.14786	0.9
338.16107	1.3
339.16040	3.9
339.28909	0.8
340.17358	2.3
341.17773	1.1
342.19592	1.0
349.15369	1.3
350.16245	1.2
351.16263	1.5
352.18045	2.7
353.17743	4.1
354.18521	6.4
355.19363	1.1
356.17801	1.1
358.19305	2.4
362.16660	0.8
363.16254	2.6
364.17120	2.3
365.17807	2.5
366.18689	1.2
367.15479	1.5
367.19522	2.2
368.20428	1.3
369.20804	18.7
374.16409	0.8
375.16254	0.8
376.17468	1.1
377.17783	1.5
379.19299	9.8
380.20114	1.9
381.17102	2.0
381.20895	1.8
382.17834	2.0
382.22137	0.6
389.17883	0.9
391.19345	1.8
393.16895	1.3
393.21371	0.8
394.18018	1.1
395.18561	1.4
396.20190	0.8
397.20352	9.7
400.20853	0.8
405.21225	1.1
406.18246	0.7
407.18759	1.5
408.19708	0.6
409.20428	2.0
410.17633	1.0
411.18283	0.8
419.18753	2.0
423.22452	2.9
424.18906	1.1
425.19766	23.9
426.21579	1.2
427.21790	0.7
428.22247	0.6
433.20258	1.6
437.19849	3.0
438.21127	1.2
439.21561	1.9
440.22421	1.2
441.23380	1.5
444.22690	0.9
447.18729	1.1
450.20767	0.7
451.21457	14.2
452.22235	2.3
453.18729	3.8
455.24759	4.3
456.25674	5.9
461.19916	2.0
462.20447	3.6
465.22787	2.1
467.25134	2.9
468.21616	1.4
469.22421	2.2
479.20895	1.0
480.21619	1.6
482.23056	0.7
483.24109	4.1
484.24753	7.7
489.19373	0.9
491.20886	0.7
495.23242	1.8
497.21860	2.1
510.22397	0.7
511.23526	6.4
512.24261	48.6
513.24298	1.5
521.21930	4.9
539.22968	51.4
540.23187	1.3
555.26172	1.5
566.19489	0.9
567.22510	1.1
571.25378	1.6
581.23907	1.8
582.22467	4.0
599.25079	100.0
599.51178	3.6
600.25092	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	599.1972
Annotation	Catechin 3-O-rutinoside
Peak:m/z	Relative Intensity
55.01868	2.1
57.03436	9.3
61.02921	2.0
65.03936	3.1
68.99792	2.3
69.03432	11.1
70.04085	8.5
71.04998	46.1
71.16389	2.0
73.02885	2.3
78.41380	1.7
81.03388	2.8
81.16990	1.9
83.04968	4.3
85.02911	65.7
88.32423	1.8
93.03387	2.6
95.04948	2.3
97.02881	3.3
102.30569	2.2
107.04972	3.3
109.02840	3.2
111.04460	6.1
119.04927	4.6
121.06538	2.5
123.04438	88.7
123.05331	4.7
129.05469	14.6
132.14500	1.8
135.04445	8.9
139.03905	100.0
145.06512	2.0
147.04430	30.0
147.06461	2.9
149.05971	2.3
151.03928	13.1
161.05981	5.3
163.03911	40.4
165.05450	18.1
165.07581	1.9
175.03915	3.9
177.05519	8.8
179.43407	1.7
181.04956	22.7
187.03963	2.5
189.05415	5.1
202.07094	2.0
203.06902	2.2
205.04976	23.7
207.06535	4.5
213.96556	1.8
217.04996	1.9
231.06554	12.2
235.05981	2.5
247.06064	2.5
249.07584	18.6
255.06676	1.9
261.07639	2.7
267.08643	13.5
273.07581	6.7
283.07993	4.3
285.07300	1.9
285.09769	23.5
291.05374	2.4
291.08597	32.5
297.07458	3.1
301.09222	7.6
303.08441	3.8
308.04214	2.2
315.08661	11.1
333.09653	4.3
335.03906	1.7
339.08508	2.9
350.72662	2.2
357.09607	7.0
383.11234	6.9
401.12390	3.3
419.13196	3.8
500.41028	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	597.3764
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
53.03940	0.5
53.32613	0.4
55.05508	1.4
57.07061	1.0
67.05507	3.5
69.07068	1.8
71.47485	0.4
71.51412	0.9
79.05494	3.7
81.03392	0.6
81.07052	3.5
83.05027	0.5
91.05482	2.6
93.07054	3.9
95.04971	0.8
95.08623	2.8
105.07043	3.1
107.08612	2.0
109.06496	0.5
109.10182	1.7
115.97958	0.5
117.07030	0.8
119.08608	1.8
121.10147	0.9
129.07022	0.9
129.90565	0.5
131.08586	1.3
133.10143	1.9
143.08534	0.8
145.10136	1.1
147.11708	1.0
155.08559	0.6
157.10158	0.6
159.11778	0.4
161.13240	0.6
169.10211	0.7
171.11736	0.6
173.13304	0.6
183.11687	0.6
186.55403	0.5
195.11887	0.5
200.89099	0.5
247.13039	4.4
278.64700	0.4
303.15698	4.0
317.20868	3.3
333.24283	0.5
344.07330	0.5
351.23291	0.5
373.23590	4.6
375.17871	0.5
557.15869	0.5
597.37604	100.0
598.37903	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.7
55.01874	10.8
55.05514	35.5
57.03433	10.6
65.03919	4.3
67.05505	100.0
69.03425	20.2
69.07069	14.9
71.01366	4.4
71.04999	6.5
79.05491	64.7
81.03419	38.0
81.07056	67.6
83.04986	39.1
83.08604	16.9
85.02919	5.7
85.06551	7.4
91.05481	47.2
93.07038	60.2
95.04969	18.2
95.08607	38.0
97.02886	7.3
97.06517	10.5
97.10203	9.8
99.04451	7.3
105.07032	44.3
107.04940	11.9
107.08588	31.6
108.83916	4.2
109.02872	6.5
109.06537	7.8
109.10159	56.2
111.04448	10.3
111.08061	6.7
117.07009	13.1
119.08554	28.1
121.06496	7.0
121.10162	16.6
123.08124	8.2
125.09624	6.9
127.03918	7.6
128.06200	4.5
129.05498	8.7
129.07010	16.9
131.08560	10.6
133.06454	4.3
133.10110	21.1
134.30144	4.4
135.11659	6.8
143.08560	12.6
145.10127	18.6
147.08011	8.7
147.11699	19.4
149.09608	4.7
155.08580	6.0
155.10640	6.3
157.10133	13.6
159.11702	8.3
161.09663	5.1
161.13249	5.9
169.10129	6.8
170.90050	4.5
171.11713	24.9
173.11734	16.0
173.13136	5.3
181.10225	5.1
185.13396	5.6
187.14853	4.8
189.12772	7.0
207.13855	20.4
221.15585	4.7
229.14394	8.4
230.78555	5.3
233.13257	5.6
233.15434	7.1
259.61099	4.3
281.17554	29.0
299.14816	8.1
337.27435	7.9
373.18582	21.9
388.83804	4.5
435.27548	58.1
579.31342	42.0
597.38904	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	597.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72775	3.6
53.03937	11.2
55.01865	4.1
55.05515	32.8
57.03421	15.3
67.05508	100.0
68.38169	3.3
69.03429	22.4
69.07068	11.3
70.09206	14.0
71.04976	7.3
71.52336	4.1
79.05501	49.7
81.03423	40.2
81.07068	40.8
83.04987	35.2
83.08614	12.0
85.02893	10.7
85.06522	7.0
91.05479	44.8
93.06563	4.8
93.07058	51.5
95.04971	17.7
95.08598	18.7
97.02894	10.4
97.06548	5.6
97.10169	8.9
99.04477	4.7
105.07034	28.1
107.04904	5.7
107.08600	16.8
109.02881	7.9
109.10172	61.1
111.04445	10.3
111.08063	7.1
117.06991	9.5
119.08575	26.3
121.10149	8.5
123.04346	3.6
123.08050	9.3
125.09615	8.7
127.03916	10.3
129.05496	8.0
129.06998	10.7
131.08582	8.8
133.06499	4.7
133.10123	8.3
143.08594	11.7
145.06458	4.8
145.10109	10.7
147.11682	24.5
149.02338	10.1
150.02620	4.5
155.10587	7.2
161.09625	5.7
161.13280	4.5
167.08525	3.7
171.11729	20.1
173.11769	11.2
173.13245	4.0
189.11191	7.6
189.12753	8.3
193.05087	8.4
207.13840	19.7
219.55920	4.3
227.12683	7.4
229.14345	23.2
281.17465	43.5
287.16330	5.0
294.60297	4.2
299.14798	4.5
373.18607	19.5
435.27429	63.6
526.23248	3.9
548.93976	4.1
579.13184	5.8
579.31647	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27861	4.2
50.37930	3.7
57.03427	14.0
69.03437	35.2
70.06590	5.0
70.63496	11.7
70.63860	4.7
71.04999	68.8
79.05485	5.7
80.20831	4.0
81.07066	4.8
83.04988	8.5
85.02906	100.0
91.05451	4.4
93.07050	4.6
95.04952	4.6
99.04459	4.7
107.04931	8.2
111.04453	12.1
112.30203	5.8
123.04444	45.0
129.05499	26.7
135.04405	19.9
139.03885	4.5
147.06580	5.5
149.02390	5.0
151.03932	9.0
153.01837	14.1
159.04379	4.9
161.06070	4.5
163.03934	8.9
165.01816	9.8
165.05566	4.4
173.02383	4.8
177.01836	6.7
179.03416	5.9
181.05070	6.2
183.02975	3.9
188.43904	4.2
189.05548	4.9
191.03409	7.6
194.14606	4.1
195.02879	22.2
203.03435	5.2
207.02872	4.9
207.51123	4.8
213.05536	7.4
219.02882	16.3
227.07167	4.9
231.02890	7.4
245.04498	16.7
249.07603	4.7
255.06560	7.6
257.04657	7.2
259.06052	4.9
261.03943	7.6
262.24521	4.0
263.05573	11.7
269.04382	4.4
271.06363	4.4
273.07507	6.5
283.06061	12.6
285.09735	11.7
287.05481	13.9
301.07034	13.9
305.06555	20.0
311.05591	6.9
323.07632	8.6
329.06702	11.1
341.08600	5.3
347.07593	27.5
371.07227	9.0
373.09210	12.2
391.10178	24.1
409.11127	12.8
415.10159	16.3
421.08429	5.3
433.11353	11.0
446.22055	5.2
451.12280	16.4
458.95929	4.6
479.95731	4.7
545.79871	4.4
597.22852	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	597.1817
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
55.01892	3.5
55.10701	3.3
57.03430	12.4
63.99576	2.8
69.03436	58.9
69.77316	6.0
69.77734	12.8
71.04995	87.2
71.47878	3.1
73.02960	2.8
75.04491	5.2
79.05465	2.8
81.03445	4.1
83.04977	8.9
85.02906	100.0
99.04463	4.8
107.04955	9.3
109.02917	6.8
111.04443	10.4
121.02882	3.5
123.04436	57.3
129.05487	23.3
135.04416	29.7
137.02396	4.6
139.03922	6.0
147.06548	6.3
151.03874	6.2
153.01855	7.2
153.05577	3.0
161.02353	4.2
163.03928	7.7
165.01878	20.1
173.02333	9.4
177.01834	14.2
179.03485	4.0
183.02884	4.6
187.07603	4.1
191.03444	9.9
195.02885	32.3
203.03418	9.5
207.02992	5.2
215.03465	7.0
217.05009	6.3
219.02904	20.8
229.05003	6.6
231.02969	5.0
231.06459	6.6
233.04529	3.7
237.03897	7.1
239.09392	3.3
245.04485	18.5
255.06563	12.2
257.04434	7.5
259.06082	7.1
261.04031	10.8
263.05435	18.5
269.04449	5.1
271.05994	7.5
273.07687	7.1
281.06622	10.0
283.06134	15.4
287.05566	13.9
295.05862	3.7
297.07605	5.3
299.05350	6.9
301.07108	12.5
305.06604	14.2
309.07669	4.6
311.05527	13.2
313.07056	4.6
317.06415	3.5
323.07840	10.4
325.07205	10.1
329.06638	21.8
347.07669	34.0
351.08630	4.5
369.09729	8.7
371.07620	14.4
373.09241	19.4
391.10272	21.6
397.09402	18.3
409.11182	15.6
415.10382	32.8
421.09351	3.7
433.11353	17.6
439.10361	5.9
451.12247	21.3
457.10748	4.8
463.09982	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41304	0.7
55.01631	1.3
55.01876	18.1
62.62736	0.7
65.03928	1.3
67.41646	0.7
68.99775	1.0
71.25011	0.7
71.50602	0.9
71.50955	0.9
72.98358	0.8
74.00652	2.8
76.02222	1.5
76.03983	2.3
79.67476	0.7
81.03429	1.3
83.06107	9.0
84.04512	29.7
85.02895	0.8
89.01407	0.7
91.05473	0.8
95.04967	1.4
99.02673	4.5
99.05574	1.1
107.04915	1.3
109.01130	0.9
110.99020	0.8
111.04433	2.5
112.03979	20.4
112.04752	1.2
121.02905	1.0
123.04443	2.0
127.02153	18.0
128.03435	0.9
129.06599	15.0
130.05013	77.2
131.86359	0.7
135.02649	8.7
135.04308	0.8
137.00568	0.9
139.03909	62.8
147.02641	1.1
147.04456	1.3
147.07629	2.1
147.34544	0.7
149.00563	1.6
149.82852	0.7
151.02165	2.8
151.03917	2.9
153.00084	1.0
153.05447	0.9
153.06586	2.4
155.01617	25.7
155.08134	0.9
163.02153	11.3
163.03912	19.8
165.00060	1.8
165.05481	0.9
167.01602	1.3
175.02174	2.3
178.03180	1.4
179.01633	20.2
179.04875	1.1
181.03230	4.8
181.06143	1.2
183.01128	43.7
189.00047	2.7
191.01645	12.5
193.03229	1.1
195.01184	1.4
196.04303	2.5
196.08180	1.2
199.07156	1.0
203.01595	8.3
207.01115	2.1
208.04259	3.4
209.02707	16.0
213.95601	0.8
219.01131	2.0
221.02725	1.1
226.05307	5.9
233.02702	0.9
236.03862	1.2
237.02243	2.1
241.05043	1.0
242.05812	1.8
257.02573	0.9
269.04504	1.1
270.05212	3.3
271.06091	0.9
275.03885	1.8
281.05936	3.0
282.04324	13.9
292.06335	1.0
299.07065	1.6
303.03223	16.6
312.05338	15.6
321.04285	0.8
329.05157	4.1
329.08038	100.0
330.08157	1.4
346.07428	2.5
347.05878	3.9
357.04404	0.9
365.07953	1.5
383.09079	13.5
432.07660	2.8
440.11121	2.4
441.09924	1.6
449.10272	6.6
458.12341	50.9
467.11267	2.4
491.55438	0.8
503.03299	0.8
503.10925	4.3
521.12250	13.4
550.12689	0.8
578.14270	1.6
596.15375	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	595.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40274	0.9
50.94857	0.8
53.03944	2.6
55.01873	1.8
55.05513	14.6
57.03435	2.3
57.07076	4.5
58.42978	1.0
65.03934	1.3
67.05508	28.8
69.07069	11.0
69.82281	5.4
71.04995	2.1
71.08625	2.8
72.51056	0.8
79.05493	17.0
80.05846	0.9
81.07061	25.7
83.04956	1.4
83.08615	7.9
91.05484	14.9
93.07045	19.5
95.04961	2.1
95.08613	20.2
96.08921	1.0
97.06549	2.1
97.10188	4.0
98.21553	0.9
105.07035	16.9
107.08608	11.8
109.10159	9.5
117.07028	9.1
119.08585	17.7
121.10177	7.4
123.08105	1.6
123.11739	2.9
125.09654	2.7
128.06250	1.3
129.07019	7.2
131.08566	24.3
133.10117	7.4
135.11694	4.0
141.06976	3.7
142.07822	1.7
143.08563	13.2
145.10139	39.5
147.11700	4.2
149.13264	2.3
155.08542	5.8
157.10126	13.8
159.11720	15.3
161.13254	5.6
167.08646	1.4
169.10136	8.3
171.11682	9.9
173.13310	10.0
175.14845	4.6
181.10117	5.0
183.11661	5.1
185.13303	9.0
187.14815	12.1
189.16396	2.0
193.10020	1.1
195.11703	3.4
197.13269	4.7
199.14850	8.1
201.16428	8.2
209.13322	3.1
211.14836	3.6
213.16377	6.9
215.17990	5.9
217.19611	1.2
223.14886	2.5
225.16376	3.8
227.17969	4.3
229.19604	2.2
231.21201	2.5
235.14932	1.1
237.16443	3.2
239.18004	3.7
241.19501	1.9
243.21220	2.9
251.17969	2.2
253.19438	1.3
255.21112	2.2
257.22879	2.5
267.21201	1.5
269.22614	2.4
271.24286	1.2
273.21741	1.0
279.21088	1.3
297.22235	2.1
297.25659	1.6
311.23560	1.1
313.25186	1.4
325.25375	1.3
327.23203	1.8
341.24887	1.6
355.26160	2.1
409.34698	1.9
453.37103	1.2
465.37531	1.7
489.37317	1.4
503.43054	2.2
521.43604	16.6
523.62134	1.0
535.26752	1.1
539.44598	11.0
559.45117	2.1
577.45941	4.5
595.47211	100.0
596.47656	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	595.436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58599	1.0
53.03942	2.2
55.01870	1.9
55.05512	14.2
57.03424	3.5
57.07062	1.6
64.28321	0.9
65.03947	0.9
67.05508	28.6
69.03446	1.2
69.07068	12.7
71.04995	2.0
79.05495	19.9
81.07060	26.7
83.04980	1.9
83.08626	5.0
91.05489	17.1
93.07046	20.4
95.05002	1.6
95.08606	22.0
97.06554	2.6
97.10170	3.9
99.08118	1.1
105.07034	16.9
107.08596	15.1
109.06555	1.1
109.10149	9.5
111.08103	1.1
115.05527	1.4
117.07004	6.7
119.08595	17.0
121.10154	10.8
123.08046	1.4
123.11739	3.2
125.09636	2.2
128.06227	3.9
129.06995	9.6
130.07823	1.0
131.08574	14.9
133.10147	10.6
135.11717	4.6
141.06982	6.5
142.07820	3.6
143.08556	18.8
145.10117	15.7
147.11700	6.1
149.13316	3.2
153.07092	1.8
154.07803	1.5
155.08556	15.9
156.09389	2.8
157.10133	17.6
159.11671	11.1
161.13295	4.1
165.07007	1.2
166.07852	1.7
167.08582	6.3
168.09401	2.6
169.10121	20.5
171.11684	13.4
173.13310	6.2
175.14824	2.4
179.08621	2.8
180.09328	1.1
181.10094	10.4
182.10962	2.2
183.11697	18.0
185.13298	11.3
187.14890	3.2
189.16431	1.7
193.10202	3.3
194.10918	1.6
195.11691	10.7
196.12614	1.2
197.13275	13.6
199.14828	6.7
201.16371	1.6
205.10097	1.0
207.11749	3.5
209.13351	7.9
211.14796	8.6
213.16484	4.2
215.18008	1.2
219.11787	1.6
221.13371	2.5
223.14803	7.1
225.16370	6.1
227.18011	2.1
235.14888	2.7
237.16426	3.4
239.18024	3.2
247.14940	1.4
249.16393	2.3
251.18040	2.8
253.19568	1.8
263.17990	1.3
265.19699	1.7
267.21060	1.1
279.21210	1.5
283.20526	1.6
285.22156	1.0
297.22070	1.4
307.20471	1.2
321.22400	1.5
323.23627	2.0
325.25232	1.3
327.23163	1.5
333.22287	1.3
335.23615	1.1
337.25275	1.7
339.74600	1.0
349.25400	2.2
351.26846	3.1
363.27002	2.0
365.24582	1.5
365.28513	2.0
366.05386	1.2
377.28659	2.1
381.27515	1.2
391.30167	2.0
411.29990	1.1
433.31271	1.1
447.32922	2.1
469.32916	1.2
485.37860	3.5
501.36600	1.2
503.38901	15.4
521.40076	8.5
539.38660	1.2
559.41571	2.7
577.42566	15.5
595.43622	100.0
596.43823	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.4
53.03954	16.4
55.01866	5.9
55.05514	43.3
57.03434	7.9
60.16834	1.6
62.82079	1.5
64.11012	1.4
65.03924	2.5
67.05506	54.6
69.03430	19.0
69.07068	13.7
71.05006	9.2
71.47532	1.5
71.51797	1.5
73.06543	2.0
74.09080	1.5
79.05496	76.3
81.03421	100.0
81.07063	41.0
83.04990	12.8
83.08626	24.3
85.02909	2.4
85.06543	2.6
86.59187	1.4
87.97301	1.7
91.05482	47.7
93.07046	60.0
93.07639	3.0
95.04977	16.2
95.08608	16.7
97.02893	23.4
97.06523	4.9
97.10171	38.3
99.04469	8.9
103.05448	2.3
105.04547	3.1
105.07043	37.5
107.04961	5.1
107.08590	28.3
109.02888	31.1
109.06520	5.7
109.10175	6.4
111.08073	2.4
117.07026	10.1
119.08586	17.5
121.06494	3.7
121.10158	4.9
122.70209	1.7
123.08099	4.2
125.09634	31.6
127.03925	31.0
128.06221	2.5
129.07001	14.0
131.08582	5.0
133.10146	9.1
135.08110	4.2
139.49246	1.5
143.08565	6.9
143.10715	1.9
145.10135	9.7
147.08051	1.8
147.11682	31.4
153.09129	2.5
155.08649	1.6
156.09331	2.0
161.09627	3.5
161.13264	10.7
165.48032	1.5
169.10083	2.5
171.10165	5.3
171.11653	28.2
183.06546	1.8
189.11227	27.8
189.12805	10.5
201.07474	1.8
207.13808	30.0
225.14903	2.9
227.12776	42.5
227.14934	2.7
245.13817	9.6
273.13409	2.2
281.17499	28.9
297.13269	3.1
300.77151	1.8
309.16898	3.7
315.14224	1.9
371.17038	14.7
428.42346	1.6
451.26859	26.5
577.29950	8.0
577.46802	1.7
595.31055	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	595.1661
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05534	0.2
57.03433	0.4
67.01860	0.3
68.99805	0.2
69.70911	0.2
69.89884	0.2
70.06578	0.2
71.04996	3.2
71.51482	0.3
75.04469	0.2
85.00520	0.2
85.02908	4.2
97.02911	0.5
109.26022	0.2
111.04478	0.3
120.21548	0.2
123.04448	0.4
129.05487	1.0
135.04402	1.3
137.02353	0.5
139.03912	0.4
151.03909	0.2
153.01826	3.7
158.44566	0.2
161.02353	0.5
167.07060	0.2
171.02936	0.2
179.03403	0.5
189.05788	0.2
241.04890	0.6
269.04504	0.3
271.06058	0.5
287.05508	100.0
288.05917	1.3
449.10840	12.2
623.31769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01871	7.5
55.05516	31.8
57.03423	18.1
57.07093	8.4
59.59169	5.3
67.05512	96.4
68.05822	7.5
69.07058	27.6
71.04993	14.7
71.51492	8.6
79.05493	80.9
80.05834	9.6
81.03419	22.4
81.07063	100.0
82.07402	7.5
83.04990	17.9
83.08624	22.6
85.02876	6.1
91.05482	72.6
92.05796	11.8
93.07046	94.2
94.07368	11.4
95.04978	16.3
95.08610	72.9
97.02904	5.9
97.06541	10.8
97.10184	10.9
105.07024	62.1
106.07367	9.8
107.04951	11.4
107.08607	66.2
109.06530	10.1
109.10149	31.1
111.08065	7.1
113.99758	5.4
117.07013	25.9
119.08591	50.1
121.10172	33.8
129.07021	17.5
130.07730	7.1
131.08565	20.4
132.08934	7.7
133.10129	35.5
133.51265	5.3
134.10518	6.4
135.11679	50.6
143.08649	12.1
145.10077	34.0
147.11658	39.5
149.13199	10.2
150.13589	7.0
159.11671	16.1
159.44238	6.3
160.11223	24.5
161.13228	23.3
163.11169	41.8
171.11740	6.6
173.11803	6.2
173.13335	10.4
175.14819	6.0
178.12306	19.0
181.12256	12.4
185.13268	6.0
195.13885	9.3
227.12813	99.2
241.19540	21.1
242.28366	5.6
253.14403	7.2
258.08945	20.5
259.20624	49.2
275.20026	6.5
276.20309	13.4
283.15320	41.5
315.23236	11.0
333.24268	78.2
334.24362	6.7
346.13138	6.5
409.27377	6.3
423.27603	7.4
424.27945	17.9
455.40433	6.6
541.35333	20.2
576.35101	7.3
594.34265	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	594.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33924	3.2
55.01868	6.1
55.05518	23.3
55.80140	3.4
57.03433	12.0
59.04987	4.5
65.03926	4.2
67.05511	43.5
69.03425	5.4
69.07062	14.1
70.06564	4.7
71.04969	8.6
71.51476	4.7
71.51844	3.6
76.46839	3.3
79.05496	40.9
80.05843	4.2
81.03429	51.9
81.07059	30.6
83.04974	9.4
83.08631	18.0
85.02934	3.8
85.06490	3.6
91.05483	34.3
93.07054	29.5
95.04967	28.4
95.08640	19.1
97.06556	8.9
97.10164	16.6
105.07031	26.7
106.07323	6.0
107.04963	11.2
107.08617	22.9
109.06541	12.9
109.10151	14.3
111.08097	5.2
117.07037	10.6
119.08574	15.9
120.08834	4.4
121.06509	11.7
121.10155	10.9
123.08086	5.8
125.09641	18.2
129.07013	10.2
131.08562	16.3
133.10106	9.6
135.08072	5.6
135.11674	3.9
145.06496	7.9
145.10088	10.0
147.04359	3.8
147.08060	5.9
147.11685	10.5
149.09608	10.7
157.10106	6.8
159.11729	4.3
163.11191	8.4
173.09674	4.1
175.11156	7.8
189.11186	5.8
193.12247	15.9
227.12776	9.7
229.14278	6.4
233.15353	8.3
267.15958	33.4
274.18896	3.4
275.20154	4.4
315.47015	3.3
349.21609	3.8
350.24155	4.0
367.22702	23.5
385.23734	29.5
397.25885	7.2
403.24774	16.1
423.25241	4.0
441.26349	10.0
459.21262	5.9
459.27466	100.0
477.22122	6.1
477.28519	75.7
491.29755	8.9
576.36212	6.7
594.37476	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	593.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69319	0.6
51.82573	0.5
53.03936	1.6
55.01875	2.0
55.05511	15.3
57.03433	2.0
57.07076	5.3
58.07429	0.6
59.05000	0.5
65.03944	1.6
65.25492	0.5
67.05508	26.9
67.62440	0.6
69.07069	13.3
69.82565	2.1
69.82964	1.1
71.04989	1.3
71.08645	3.3
73.06577	0.7
79.05499	13.2
80.05840	0.5
80.67941	0.5
81.07059	25.5
82.29010	0.6
83.04985	2.0
83.08625	8.4
85.06550	1.2
85.10186	1.0
91.05481	11.5
93.07048	13.9
93.50932	0.6
94.07375	0.8
95.04981	0.8
95.08612	17.6
96.08906	0.7
97.06545	2.6
97.10185	4.8
99.08111	0.8
103.50942	0.6
105.04546	0.6
105.07038	10.9
107.08597	7.9
109.10160	9.0
111.08089	1.4
111.11688	0.7
115.05458	2.0
117.07011	5.6
119.08584	11.5
119.64275	0.5
121.10152	5.7
123.08110	1.4
123.11734	2.3
125.09627	2.0
128.06232	4.8
129.07011	12.1
130.07791	1.0
131.08571	14.6
133.10139	5.6
135.11732	3.1
139.11174	0.7
141.06970	6.3
142.07802	3.9
143.08563	23.9
144.09319	0.8
145.10135	14.8
147.11685	5.2
149.13284	1.5
153.07034	1.5
154.07822	1.3
155.08562	15.4
156.09334	2.8
157.10147	21.5
159.08173	0.6
159.11699	10.1
161.13293	1.9
163.14870	0.7
165.07057	0.9
166.07860	1.0
166.30954	0.6
167.08569	5.9
168.09344	1.7
169.10127	18.8
170.10890	1.7
171.11688	16.8
173.13271	6.5
175.14890	1.3
179.08621	2.0
181.10136	10.0
182.10912	1.2
183.11713	17.2
185.13268	12.8
187.14847	4.7
189.16386	1.5
193.10144	2.4
194.10826	1.0
195.11705	8.9
196.12506	1.4
197.13266	14.5
199.14818	10.6
201.16423	3.4
205.10068	0.6
207.11681	3.0
209.13281	7.4
211.14806	9.5
211.16446	0.8
213.16414	7.7
215.17996	1.9
221.13319	3.2
221.58087	0.6
223.14899	4.8
225.12895	0.6
225.16383	8.2
227.17952	5.9
229.19592	1.4
233.13211	0.9
235.14865	2.6
237.16336	4.5
237.18373	0.6
239.17934	6.6
241.19478	4.4
243.21167	1.6
244.21472	0.6
249.16377	2.6
251.18001	2.6
253.19460	3.1
255.17435	0.7
255.21150	2.6
261.22205	0.6
262.22595	1.0
263.17960	1.6
265.19592	2.0
267.21100	2.6
269.22507	1.7
271.20746	0.6
277.19455	0.9
279.21045	1.2
281.19284	0.8
281.22675	2.1
283.20630	0.7
283.24124	1.3
285.18713	1.0
293.22659	1.6
295.20590	1.0
295.24252	1.3
297.22119	0.6
297.25668	0.8
299.20251	1.0
305.22723	0.6
309.22284	0.7
309.25797	1.0
311.23703	1.5
313.27478	1.0
314.27689	2.1
315.23291	0.9
315.28256	0.9
321.10287	0.7
321.22198	1.2
321.25894	1.5
323.23804	1.1
325.21823	1.2
325.25421	0.9
327.23184	1.1
336.26294	0.9
337.25775	1.3
339.23044	1.4
339.26849	1.0
347.23776	0.6
349.25180	0.9
351.26785	1.2
353.24695	1.5
353.28531	1.1
355.26297	1.1
363.26743	1.3
365.28613	1.3
367.26254	1.6
377.28384	1.3
381.28030	1.8
393.31845	1.1
395.29333	1.4
405.31073	0.9
407.33484	1.4
409.30927	1.4
410.48328	0.6
411.32867	0.9
417.21112	1.1
419.22424	1.3
419.33582	0.8
421.30435	0.9
423.32770	1.5
431.18777	2.0
433.24200	1.5
433.34763	1.0
435.32251	0.9
437.34277	1.8
445.20203	1.8
446.21188	1.8
447.21835	0.7
449.33862	1.2
451.35706	2.1
460.22696	3.2
461.23328	1.7
463.35822	1.4
473.23459	0.8
501.41238	3.8
505.22382	1.2
505.36987	0.9
510.98184	0.7
519.42151	16.4
523.37726	0.8
533.25397	6.7
537.43048	11.9
557.43616	2.8
575.44391	6.2
593.27802	24.2
593.45642	100.0
594.27704	1.6
594.45776	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
55.01878	21.0
55.05514	41.8
56.77900	2.3
57.03445	27.5
57.07082	4.0
65.03943	8.1
67.05509	99.5
69.03433	8.4
69.07069	29.9
70.02127	12.2
71.04997	9.8
77.03922	3.1
79.05496	78.8
79.29572	2.3
81.03413	21.5
81.07059	100.0
83.04978	14.9
83.08625	17.3
85.02889	3.5
85.06554	16.7
91.05487	88.9
93.07053	68.2
95.04974	48.4
95.08610	42.6
97.02917	4.0
97.06532	23.1
97.10177	10.3
99.04465	5.5
99.08105	4.9
103.05483	5.3
105.07039	78.4
107.04972	21.5
107.08601	48.0
109.02869	2.6
109.06523	48.6
109.10168	19.1
111.04436	3.5
111.08092	4.4
113.06021	23.8
117.07021	28.6
119.08594	53.4
121.06547	9.9
121.10154	33.4
123.04466	5.1
123.08066	10.8
123.11746	16.0
125.05876	2.8
125.09649	4.3
128.06255	7.4
129.07031	14.9
131.08586	32.3
133.06516	5.8
133.10143	41.6
135.08058	35.2
135.11699	22.0
137.09641	6.2
139.11218	4.8
141.06976	3.0
143.08548	18.0
145.06516	3.3
145.10146	17.4
147.08052	9.5
147.11717	45.3
147.12837	5.1
149.09654	17.2
149.13280	13.1
151.11200	5.8
155.08595	3.4
157.10211	12.8
159.08086	3.2
159.11720	15.4
161.09674	17.6
161.13287	18.4
163.11156	12.0
165.09145	4.5
165.12799	10.4
167.07077	9.4
171.11700	9.9
173.09712	3.6
173.13309	8.2
175.11237	5.9
175.14857	4.5
177.12889	3.1
179.10670	5.3
179.14343	3.5
185.13275	5.5
187.11201	3.5
189.11174	5.8
191.10785	3.5
193.12231	5.4
197.11757	6.8
199.14853	4.6
201.12807	2.9
209.11679	5.2
217.15923	9.4
225.11191	3.0
227.12779	6.2
229.14334	3.3
241.19598	14.9
257.19070	4.3
259.20609	31.4
267.15994	18.4
273.18481	25.5
275.20114	19.5
283.15329	4.3
285.16959	30.1
289.18173	3.2
291.19562	65.5
292.19992	2.8
293.21152	3.6
301.16638	5.4
317.15991	21.7
333.24310	23.3
347.22211	5.7
349.23807	6.7
351.25436	4.6
365.23248	10.2
372.98801	2.5
383.14996	5.9
447.39487	2.7
483.31113	3.0
501.31824	3.2
557.34869	5.7
575.35632	23.0
593.34296	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	593.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.1
53.03949	12.6
55.01859	8.1
55.05519	35.7
57.03440	11.9
57.07068	5.7
57.44538	2.0
65.03926	6.4
67.05510	100.0
69.03442	11.2
69.07072	23.9
71.01337	2.4
71.05011	12.0
71.08612	2.8
71.51106	3.0
71.51464	2.6
76.44321	2.0
79.05081	4.3
79.05499	65.0
81.03425	68.6
81.07063	87.5
83.04995	22.0
83.08633	11.8
85.02909	7.4
85.06533	6.1
87.55833	2.3
91.05483	47.3
93.06487	4.0
93.07053	68.6
95.04988	13.3
95.08615	28.7
97.02904	14.2
97.06527	19.4
97.10148	9.3
99.04473	5.4
99.08115	3.0
105.06430	2.2
105.07049	36.6
107.04945	5.2
107.07890	2.8
107.08598	41.3
109.02876	12.6
109.06510	6.4
109.10160	22.2
111.04428	8.6
111.08069	4.9
115.05475	3.7
117.06996	16.6
119.08601	18.7
121.06494	8.2
121.10155	16.4
123.04494	2.4
123.08110	2.9
123.11703	6.2
125.09648	3.6
127.03883	10.6
129.06969	6.2
131.08574	14.7
133.06490	4.0
133.10146	17.7
135.08066	6.0
135.11710	42.1
137.09608	4.0
141.06973	2.5
143.08568	6.1
145.10110	12.5
147.08044	4.8
147.11685	10.7
149.09700	3.0
149.13281	14.9
151.11212	3.6
153.12752	2.3
153.41377	2.2
155.08601	3.8
157.10101	4.0
159.08041	2.7
159.11728	11.6
163.11223	5.8
165.12727	7.2
169.10104	6.9
171.11655	4.9
173.04465	3.4
173.13153	3.3
177.12787	4.2
181.12221	10.2
189.12784	2.4
193.12196	3.1
195.13815	9.0
207.11812	2.9
239.14375	3.0
255.15909	9.4
261.14899	3.4
267.16156	2.6
269.17496	3.1
303.15729	3.8
325.16547	3.8
339.18002	9.0
339.22293	2.2
348.87964	2.5
381.18747	2.4
395.20319	5.1
423.27481	12.8
431.27798	6.3
449.28839	13.6
575.31531	4.2
593.33038	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
59.16145	0.6
67.05486	0.8
69.16844	6.1
71.98518	0.5
81.07054	0.8
93.07041	0.6
94.67812	0.5
95.92760	0.6
104.08920	0.5
109.10210	0.6
110.00237	0.5
169.10208	0.8
389.17749	1.0
402.18280	1.2
403.19128	3.6
404.19983	1.4
405.20721	1.1
416.20486	1.1
417.16351	1.4
417.21539	3.4
418.21814	0.8
419.22592	3.1
431.18259	8.1
432.19061	1.4
432.24069	0.8
433.24066	8.0
434.24677	1.6
445.20035	10.7
446.20737	5.0
447.21735	4.5
459.21515	3.9
460.22592	12.7
460.29028	0.8
461.23318	11.4
473.23380	2.6
476.25723	1.5
487.24701	0.9
491.24716	1.6
492.25235	1.6
505.22076	5.7
518.22913	0.7
519.42230	0.9
533.25464	49.2
534.25775	1.3
565.28363	1.0
593.27594	100.0
593.45776	3.3
594.28009	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	593.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.1
53.03949	12.6
55.01859	8.1
55.05519	35.7
57.03440	11.9
57.07068	5.7
57.44538	2.0
65.03926	6.4
67.05510	100.0
69.03442	11.2
69.07072	23.9
71.01337	2.4
71.05011	12.0
71.08612	2.8
71.51106	3.0
71.51464	2.6
76.44321	2.0
79.05081	4.3
79.05499	65.0
81.03425	68.6
81.07063	87.5
83.04995	22.0
83.08633	11.8
85.02909	7.4
85.06533	6.1
87.55833	2.3
91.05483	47.3
93.06487	4.0
93.07053	68.6
95.04988	13.3
95.08615	28.7
97.02904	14.2
97.06527	19.4
97.10148	9.3
99.04473	5.4
99.08115	3.0
105.06430	2.2
105.07049	36.6
107.04945	5.2
107.07890	2.8
107.08598	41.3
109.02876	12.6
109.06510	6.4
109.10160	22.2
111.04428	8.6
111.08069	4.9
115.05475	3.7
117.06996	16.6
119.08601	18.7
121.06494	8.2
121.10155	16.4
123.04494	2.4
123.08110	2.9
123.11703	6.2
125.09648	3.6
127.03883	10.6
129.06969	6.2
131.08574	14.7
133.06490	4.0
133.10146	17.7
135.08066	6.0
135.11710	42.1
137.09608	4.0
141.06973	2.5
143.08568	6.1
145.10110	12.5
147.08044	4.8
147.11685	10.7
149.09700	3.0
149.13281	14.9
151.11212	3.6
153.12752	2.3
153.41377	2.2
155.08601	3.8
157.10101	4.0
159.08041	2.7
159.11728	11.6
163.11223	5.8
165.12727	7.2
169.10104	6.9
171.11655	4.9
173.04465	3.4
173.13153	3.3
177.12787	4.2
181.12221	10.2
189.12784	2.4
193.12196	3.1
195.13815	9.0
207.11812	2.9
239.14375	3.0
255.15909	9.4
261.14899	3.4
267.16156	2.6
269.17496	3.1
303.15729	3.8
325.16547	3.8
339.18002	9.0
339.22293	2.2
348.87964	2.5
381.18747	2.4
395.20319	5.1
423.27481	12.8
431.27798	6.3
449.28839	13.6
575.31531	4.2
593.33038	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.59382	0.4
70.84811	0.6
74.32588	0.6
76.51106	0.5
82.17259	0.5
84.44874	0.5
312.88248	0.5
375.17642	0.6
401.17850	0.8
402.18561	1.3
403.19321	2.3
404.20099	1.2
405.20755	1.6
417.16446	1.3
417.21548	2.9
418.21539	1.2
419.22546	3.4
430.17780	1.0
431.18216	7.8
432.19397	2.5
433.24146	5.8
434.24918	1.1
445.19928	9.3
446.20840	4.9
447.21536	4.4
449.23334	0.7
459.21658	3.5
460.22540	11.3
461.23166	8.7
473.23410	1.9
491.24445	0.8
492.25281	1.1
505.21982	5.2
519.24219	0.8
533.17273	0.7
533.25513	22.2
593.27582	100.0
594.27814	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	592.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	37.3
62.03420	13.5
64.30143	14.2
67.05510	65.2
68.13787	14.4
69.07061	23.5
77.27050	13.3
79.05491	100.0
80.20817	14.0
81.03419	19.3
81.07063	85.2
83.08659	17.1
83.37761	16.7
84.79269	14.6
91.05489	72.4
93.07053	87.6
95.04977	20.4
95.08605	46.2
105.07032	58.2
107.08589	33.7
109.10157	21.9
117.07057	18.7
119.08591	46.7
121.06480	17.9
122.88271	19.2
129.07039	30.4
133.10161	31.8
135.11688	14.6
145.10097	21.4
147.11696	39.6
151.34283	14.3
159.11720	26.4
161.13242	20.9
171.11743	26.2
183.11731	22.5
213.98648	15.4
229.32515	22.5
241.19334	14.2
259.20428	25.3
281.17575	35.3
314.27441	20.0
333.24231	22.5
592.44373	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	592.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46878	23.0
67.05493	25.4
71.50315	33.7
71.50749	26.2
73.08699	25.0
93.07056	22.7
107.50862	27.1
108.77103	23.8
109.14360	25.6
116.52317	25.6
130.61148	28.7
159.27731	28.1
199.50829	25.7
270.88571	28.1
276.12314	27.0
445.20227	44.6
466.72815	28.4
592.26544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
57.03429	3.8
68.99800	2.6
69.29587	1.1
70.06578	1.4
71.05000	26.3
71.50998	1.2
79.05489	3.4
81.07053	9.1
83.85159	1.1
85.02442	1.8
85.02911	27.5
87.04481	1.6
91.05482	1.9
93.07043	1.7
95.08604	4.0
96.04475	2.6
105.06992	1.2
111.04462	1.4
114.05540	3.9
121.06495	1.8
123.04439	100.0
123.08018	1.4
129.05492	6.2
135.04466	1.4
137.02388	1.7
137.06027	1.3
139.03911	14.3
147.06424	1.7
149.02373	1.4
151.03918	2.5
163.03915	4.4
163.07535	3.8
165.01839	25.9
165.05505	2.4
165.09117	1.3
177.01888	2.7
179.03380	3.1
183.02899	10.3
187.03911	2.2
187.07600	1.4
189.05452	1.4
191.03458	3.1
195.02831	2.5
203.03479	2.0
205.08467	1.9
207.10205	13.0
215.06984	2.0
231.06528	2.8
233.08112	26.9
243.06470	2.5
248.61299	1.3
249.07637	10.9
251.09268	1.8
255.06407	1.4
257.04272	2.0
269.08118	2.2
271.06036	5.5
297.07480	2.3
299.05542	6.1
311.12753	3.0
317.06668	11.4
320.69504	1.4
325.07095	2.3
339.12271	19.4
367.11737	26.5
367.16144	2.2
385.12830	98.1
388.32932	1.3
444.07483	1.4
480.35028	1.2
592.21222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.6
58.99608	0.5
65.04285	0.4
68.99823	1.0
69.03425	0.5
69.46155	1.7
69.46566	0.9
70.06597	10.4
76.02236	3.0
76.98655	0.4
77.50335	0.4
79.05499	0.6
81.03413	1.8
81.07079	0.6
84.04520	1.1
91.05492	1.0
93.07043	1.0
95.04969	0.6
96.04499	36.7
97.02921	0.6
100.72528	0.4
103.05494	0.6
107.04955	0.6
114.05539	100.0
116.01687	0.7
117.39440	0.4
119.04944	2.5
121.06513	2.2
122.06045	1.6
123.04443	12.2
130.05045	0.5
135.04437	1.5
136.17328	0.3
137.05968	0.5
139.03947	0.7
144.01141	0.7
147.04428	7.2
149.05995	5.1
159.04431	1.0
161.05949	0.4
162.02232	1.1
165.05484	5.9
177.05481	61.4
179.04836	2.0
189.05344	0.4
193.12212	0.9
201.05437	0.7
205.51370	0.4
207.06548	1.8
216.10263	0.5
232.09659	0.6
233.05817	0.5
234.11107	0.4
242.08185	0.7
260.09299	2.0
267.16061	0.5
272.09161	0.5
278.10214	1.0
308.09134	2.2
329.10223	21.1
386.15839	1.2
392.96472	0.4
412.14014	4.5
430.15024	41.1
431.14801	0.6
446.58990	0.4
592.19989	0.9
618.59027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01628	0.6
55.01876	6.8
56.05053	0.4
58.99597	0.5
68.05019	0.5
68.99794	1.1
70.06598	9.1
71.05029	0.4
76.02233	1.8
79.05497	0.9
81.03407	1.3
81.07091	0.6
82.06576	1.8
84.04495	1.2
85.02914	0.5
91.05479	1.5
93.07042	0.7
95.04987	0.7
96.04498	35.0
100.07618	1.3
107.04958	1.0
114.05537	100.0
114.63956	0.4
119.04961	1.7
121.06500	1.9
122.06033	1.1
123.04432	13.7
127.03941	0.7
128.07050	1.1
131.04962	0.9
135.04410	2.2
137.05942	0.5
139.03899	1.2
146.08124	8.9
147.04414	7.4
149.05981	4.9
159.04393	0.7
161.06033	0.7
162.02203	1.2
165.05478	5.3
177.05478	64.5
179.04875	1.3
184.96559	0.4
189.05429	0.5
189.38623	0.5
192.41888	0.4
193.12283	0.7
193.64690	0.4
207.06516	1.3
216.10234	0.6
219.49080	0.4
234.11221	0.7
236.77542	0.5
260.09216	1.8
278.10263	0.8
308.09171	1.6
311.08905	1.0
329.10196	19.8
386.15988	1.0
412.14026	4.0
430.14984	38.6
443.05957	0.4
548.21161	0.7
592.19165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34426	1.2
53.03940	3.6
55.05514	16.7
57.03442	12.7
57.07080	38.1
65.03938	2.0
67.05509	57.1
67.80299	1.1
69.07066	19.0
71.08636	24.3
79.05498	48.5
81.07062	65.7
82.07374	1.5
83.04971	2.3
83.08635	12.8
85.06556	2.0
85.10185	14.5
90.79781	1.3
91.05488	24.3
93.06577	1.3
93.07050	52.3
95.04980	3.1
95.08612	54.3
97.06562	1.5
97.10177	8.6
99.08092	3.5
105.07038	16.7
105.41292	1.2
107.08602	27.7
108.91296	1.5
109.06561	2.0
109.10156	23.2
111.08104	1.8
111.11768	1.1
113.09643	2.9
117.07028	6.9
119.08610	11.3
121.10152	19.8
123.08070	1.2
123.11741	7.9
123.90350	1.4
125.09642	2.6
129.07001	1.4
131.08563	13.7
133.10147	10.6
135.11700	15.2
137.13284	4.6
143.08594	1.5
145.10146	11.5
147.11720	8.6
149.09628	1.7
149.13260	11.0
151.14838	1.9
153.12691	1.5
157.10201	1.5
159.11722	9.1
161.13263	7.6
163.14850	12.9
167.08548	1.3
169.10172	1.4
171.11731	1.6
173.13258	7.1
175.14859	3.8
177.16393	4.4
179.14310	2.0
187.14796	4.0
195.11763	1.5
201.16380	1.4
227.51468	1.3
233.22612	3.8
239.23802	4.3
243.21097	25.1
257.24777	1.8
261.22150	54.5
261.24881	2.8
313.27377	100.0
314.27679	2.2
317.24768	9.4
335.25793	60.9
350.05246	1.3
499.45258	1.4
503.17929	1.5
517.39795	1.6
573.49042	16.4
591.26263	3.0
591.43304	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	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01842	1.4
55.05513	16.2
57.03445	11.7
57.07084	46.6
65.03961	2.7
67.05511	61.9
69.07073	17.8
69.80891	1.4
71.08292	2.5
71.08643	37.0
73.09253	1.3
79.05499	43.7
81.07067	69.9
83.08632	17.7
85.06547	2.1
85.10197	15.7
91.05498	24.0
92.15531	1.4
93.06482	3.2
93.07051	52.8
93.07639	2.8
95.04958	3.9
95.08618	58.2
97.06568	1.8
97.10188	7.6
99.08083	4.6
105.04524	3.1
105.07037	17.3
107.08610	35.9
109.10165	23.4
113.09621	1.9
117.07033	7.1
119.08583	9.4
121.10164	22.1
123.11733	9.5
131.08591	15.2
133.10121	11.7
135.11696	17.0
137.13248	4.3
143.08609	1.6
145.10117	9.9
147.11708	7.7
149.13287	13.1
151.11174	1.7
151.14893	1.7
159.11719	9.9
161.13283	7.0
163.14862	12.1
170.01665	1.5
173.13274	6.6
175.14894	2.8
177.16391	6.7
180.14586	1.8
187.14801	5.2
201.16386	2.1
215.17937	1.6
233.22639	2.1
239.23721	5.6
243.21132	26.0
257.24878	2.3
261.22159	61.9
277.21735	1.9
278.22061	2.8
284.91574	1.6
313.27380	100.0
314.27939	1.6
317.24786	9.5
335.25824	61.3
499.44522	2.1
573.48773	19.4
591.49323	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	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62269	1.7
53.03945	4.4
55.05516	21.7
57.03202	1.6
57.03446	12.6
57.07082	47.9
63.48815	1.5
65.03942	3.8
67.05508	75.4
69.07070	19.5
70.55002	1.6
70.91344	4.5
71.04984	2.4
71.08637	32.1
72.08951	1.7
79.05080	2.8
79.05505	36.9
81.07063	75.3
83.08622	20.6
85.10189	17.4
91.05487	19.2
93.06488	3.2
93.07048	49.4
95.04977	3.7
95.08611	69.5
96.86524	1.6
97.06523	1.7
97.10168	10.7
105.07048	18.8
107.08607	34.6
109.10163	33.0
111.08086	2.7
117.07026	9.3
119.08600	12.4
121.10145	25.4
123.11699	15.4
129.09509	1.6
131.08563	14.0
133.10155	15.6
135.11713	20.3
137.13281	5.1
145.10149	10.1
147.11702	8.8
149.13263	12.8
151.14842	1.8
159.11710	9.7
161.13264	6.6
163.14828	6.6
173.13271	13.5
175.14799	4.3
177.16383	2.5
187.14813	4.6
233.22612	2.8
239.23764	5.6
243.21085	13.1
261.22162	72.4
269.93399	1.7
277.21771	1.7
279.23141	6.3
299.23633	2.2
307.41306	1.7
313.27374	100.0
317.24869	13.5
321.05258	1.7
335.25803	71.8
336.26349	1.8
499.45267	2.2
573.48755	21.9
591.49707	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	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01860	2.5
55.05510	17.3
55.25558	1.5
57.03442	10.8
57.07082	41.2
57.51273	1.4
63.67505	1.6
65.03938	1.8
67.05511	57.8
68.05853	1.7
69.07071	17.5
69.19210	1.6
71.08637	28.6
79.05499	43.0
81.07061	63.2
83.08640	12.4
85.06567	2.9
85.10194	17.2
91.05486	22.1
93.07050	49.9
95.04952	4.1
95.08612	60.0
97.06553	3.5
97.10180	6.4
98.21497	4.5
99.08109	4.7
105.07025	16.2
107.08601	31.9
109.06573	1.9
109.10155	26.2
111.08050	2.0
112.40858	1.5
113.09637	4.2
117.07024	8.0
119.08585	13.9
121.10150	21.5
123.11707	9.0
131.08575	15.5
133.10168	10.7
135.08154	1.7
135.11714	18.7
137.13278	4.0
145.10184	10.5
147.11693	6.2
149.09674	2.0
149.13277	12.3
151.11179	1.7
151.14818	4.4
153.12689	2.7
159.11739	9.3
161.13269	7.0
163.14821	12.9
165.16360	1.8
173.13278	8.3
175.14909	3.9
177.16400	5.2
187.14891	4.9
201.16371	2.4
217.19615	1.9
229.44576	1.7
233.22638	4.5
239.23729	4.6
243.21120	23.7
257.24866	1.8
261.22177	59.8
273.34140	1.7
277.21860	2.2
279.23062	2.5
313.27399	100.0
314.27963	2.1
317.24805	11.7
333.78009	1.7
335.25839	62.3
499.44772	3.0
573.48859	21.1
591.48657	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	591.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30074	2.6
51.00591	2.4
53.03946	14.5
53.47876	2.9
55.01877	22.2
55.05265	4.4
55.05514	53.7
56.03262	2.6
57.03435	12.2
57.07083	4.1
59.05008	6.3
65.03940	6.6
67.05508	100.0
69.03422	12.1
69.07072	34.1
71.05003	14.3
71.52273	3.2
79.05498	96.5
81.03426	27.7
81.07064	90.5
83.04996	20.1
83.08621	30.9
85.02911	3.7
85.06542	8.1
91.05487	79.7
93.07048	78.5
95.04973	30.7
95.08617	51.2
97.02908	6.0
97.06536	25.1
97.10169	26.3
103.05449	4.9
105.07039	72.7
107.04971	22.6
107.08607	49.2
109.06542	19.6
109.10159	34.3
111.04440	11.7
111.08080	10.7
115.05465	9.2
117.07015	27.6
119.04979	3.9
119.08594	48.0
119.84205	2.5
121.06493	12.8
121.10146	40.5
123.04420	4.8
123.08093	8.9
123.11697	7.3
125.09636	25.1
128.06232	4.8
129.07016	21.4
131.04942	3.8
131.08575	39.1
133.06491	8.7
133.10129	33.2
135.08076	14.9
135.11713	19.8
137.09593	8.4
139.11139	4.3
142.07832	4.2
143.08580	14.6
145.06517	7.4
145.10129	36.1
147.04424	4.9
147.08025	13.8
147.11725	25.3
149.09622	22.0
149.13293	5.0
151.11198	6.8
153.12735	3.3
155.08540	10.7
157.10132	17.8
159.08122	5.4
159.11714	19.8
161.09647	9.3
161.13255	7.3
163.11189	25.0
165.12779	4.1
167.08633	3.8
167.10640	3.9
169.10152	10.3
171.07953	3.6
171.11702	11.2
173.09653	10.5
173.11806	3.2
173.13239	8.6
175.11220	9.9
175.14828	3.1
177.12688	5.1
181.12302	9.4
183.11710	4.7
185.09624	4.4
185.13261	10.6
187.11172	5.3
187.14798	3.0
188.63795	2.6
189.11247	12.6
189.12787	2.9
191.10696	11.4
193.10637	2.7
193.12260	10.6
195.11623	4.4
197.13242	5.4
199.11272	3.2
205.12276	3.9
209.11734	10.3
209.13431	3.3
211.13225	6.1
213.16367	3.0
223.13258	7.5
227.12752	29.4
233.15511	2.8
241.14404	5.4
243.16138	3.6
245.13562	3.5
245.18842	3.7
259.15417	6.3
259.20645	9.1
261.18710	3.2
265.14386	5.7
267.15970	10.3
273.18622	18.0
275.20114	19.3
277.21683	3.8
281.19287	5.1
283.15460	8.3
291.19601	37.0
297.22205	7.0
299.20047	8.5
303.19327	3.6
303.45026	2.8
313.21927	5.1
315.18445	3.9
315.23193	7.3
317.21268	4.6
333.24396	7.2
347.22440	5.0
349.23856	5.3
431.29401	4.2
449.30127	7.6
467.31601	8.8
485.32632	3.7
533.34283	4.5
541.35358	32.0
559.36127	21.9
573.37860	8.0
591.39240	45.7
592.39264	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	591.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.6
57.03416	0.4
57.07076	0.8
57.28512	0.5
66.75642	0.3
67.05509	4.6
69.07060	2.4
70.07915	1.7
71.05009	0.4
71.08624	0.6
73.06203	0.4
79.05498	2.5
81.07063	4.2
83.08621	1.3
91.05490	2.5
93.07059	2.3
95.04962	0.4
95.08611	3.5
97.06551	0.3
97.10184	0.8
99.08054	0.3
105.07045	2.3
107.08603	1.4
109.10161	1.9
116.25060	0.3
117.07031	1.1
119.08582	1.7
121.10144	1.0
123.11699	0.6
128.06226	0.3
129.07010	1.5
131.08578	1.8
133.10152	1.4
135.11690	0.9
141.07018	0.9
142.07736	0.5
143.08571	2.2
145.10100	2.2
147.11716	0.9
153.07033	0.5
155.08589	2.7
156.09341	0.6
157.10149	1.9
159.11726	1.9
160.47226	0.3
165.07039	0.7
166.07903	0.4
167.08565	2.0
169.10147	4.3
171.11714	2.1
173.13316	1.1
175.14737	0.4
179.08614	1.0
181.10114	2.6
182.10976	0.5
183.11696	4.4
185.13216	1.7
187.14780	0.5
193.10193	0.8
195.11707	2.6
196.12666	0.4
197.13297	2.4
199.14882	1.1
205.10284	0.4
207.11774	1.0
209.13261	2.3
211.14703	2.0
213.16422	0.5
221.13402	0.7
223.14780	2.2
225.16286	1.8
227.17973	0.6
235.14874	1.1
237.16428	1.5
239.18048	1.1
251.18007	1.1
253.19533	0.7
263.17969	0.4
265.19528	1.0
279.21268	0.5
299.23654	0.5
321.22119	0.5
335.23593	0.5
349.25351	0.6
379.26144	0.4
399.16730	0.6
400.17325	0.4
401.17868	1.2
402.18613	0.8
407.29242	0.4
413.17798	0.5
414.18423	1.2
415.19153	5.6
416.19928	2.3
417.21341	0.5
428.20215	0.8
429.20874	6.1
430.21719	4.3
431.22302	1.6
433.24106	0.7
442.21567	0.5
443.22879	2.8
444.23575	6.7
445.24240	5.0
446.24783	0.8
447.32657	0.4
448.26505	0.4
449.34247	0.5
457.19495	0.7
457.24979	0.8
458.24606	1.4
459.21283	2.4
459.25739	3.9
461.23413	0.4
471.22028	0.5
472.22684	3.1
473.23532	5.5
474.24261	3.0
475.25620	0.7
476.22653	0.5
485.23434	1.5
486.24173	0.6
487.24973	22.0
488.25909	0.6
489.22977	2.1
490.23965	0.8
499.39734	0.5
503.24979	2.4
515.24640	1.0
517.21942	0.7
517.40454	2.7
518.23041	0.7
531.23975	12.6
532.24622	5.4
535.41840	3.0
540.55164	0.4
563.26001	0.5
573.43152	1.9
576.23389	0.7
591.26062	100.0
591.43958	22.4
592.26367	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	591.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53292	0.2
53.03967	0.4
55.01871	1.4
60.39174	0.2
65.03940	0.5
67.01851	0.3
67.05502	0.5
68.99783	2.1
69.03431	0.5
71.51667	0.3
72.11678	0.2
79.05499	0.5
83.01286	0.4
83.04978	1.0
86.35263	0.2
89.03904	0.5
91.05454	0.2
93.03398	0.9
95.04974	0.8
97.02882	0.5
105.03407	0.6
107.04958	0.5
109.02866	0.5
111.04456	3.8
115.05470	0.2
118.96336	0.2
119.04963	0.5
121.02840	0.3
123.04439	11.7
125.02348	0.2
125.19299	0.2
129.07004	0.4
131.04945	0.5
133.06416	0.3
135.04425	8.7
135.05437	0.5
137.02310	0.4
137.06013	0.4
139.03909	100.0
140.04286	0.4
141.01831	0.2
141.06935	0.4
145.06499	0.4
147.04428	2.5
149.06010	0.4
151.02745	0.5
151.03914	7.4
151.05141	0.4
153.06998	1.1
157.06511	0.4
159.04445	0.9
161.06013	1.1
163.03911	10.2
165.05559	1.2
165.06746	0.2
169.06516	0.8
173.06013	1.1
175.03893	0.9
177.05460	0.8
179.03395	4.7
181.06494	1.7
185.05986	1.5
187.03926	1.4
187.07608	0.5
189.05478	1.8
191.03444	0.6
193.05040	0.4
197.05936	0.5
201.05461	1.0
203.03340	1.4
203.07060	0.4
205.05107	0.2
207.06490	0.6
209.05951	0.8
213.05525	1.7
215.03445	0.9
215.07065	0.5
217.05022	0.9
225.05409	0.2
227.03525	0.3
227.07056	1.4
229.05038	1.8
231.06654	0.3
237.05519	0.9
241.04945	1.6
245.04469	2.5
255.06551	4.1
257.04327	1.2
259.05951	1.6
263.05341	0.3
265.04950	0.5
269.04477	1.5
271.06021	1.8
271.87387	0.2
273.07706	1.6
283.06030	13.6
287.05505	3.8
289.06989	1.3
291.08627	3.6
299.05536	2.5
301.07077	12.2
303.08661	1.6
311.05606	0.9
313.07080	0.3
411.10919	0.5
421.09229	4.7
433.09143	0.5
439.10239	2.3
451.10281	0.5
573.13385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
54.70719	5.9
55.01865	16.4
55.05511	31.0
56.47763	5.1
57.03406	7.0
57.07077	11.7
62.16654	5.7
67.05507	73.2
69.07072	35.2
69.21282	43.6
69.21700	19.4
71.04987	5.4
71.08628	16.7
73.89862	6.1
77.35098	6.6
79.05498	67.6
81.03436	9.5
81.07062	82.1
82.07378	6.6
83.04974	13.4
83.08602	13.7
85.10146	8.7
91.05491	71.2
93.07043	63.8
94.05741	5.8
95.01340	9.0
95.04965	23.6
95.08604	55.6
97.06535	34.5
97.10141	7.9
98.21525	12.7
105.07037	81.0
107.04963	19.0
107.08600	25.7
109.06499	9.1
109.10137	15.6
117.07009	22.6
119.08587	41.5
121.10171	10.8
129.07018	12.0
131.08575	19.0
133.10175	41.8
135.11699	8.4
143.08549	17.8
145.10143	19.9
147.11659	26.1
149.09714	12.8
152.46745	7.0
159.11732	10.2
161.13264	13.3
163.11162	8.4
177.21405	6.7
179.14331	17.9
180.14690	7.2
189.12747	7.5
195.11620	6.1
197.13040	7.1
207.13846	15.4
275.20093	71.0
277.21674	11.6
278.22052	9.0
281.17523	50.7
293.21060	9.8
321.88559	7.4
349.23688	25.8
466.55112	7.4
555.36896	100.0
572.41492	7.4
590.48505	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	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.05272	2.0
55.05514	20.3
57.03441	13.2
57.07082	56.1
64.18453	1.4
65.03940	3.0
66.25044	1.4
67.05512	52.0
68.49913	1.7
69.07076	19.9
69.26181	8.5
69.26609	6.6
71.04971	4.4
71.08636	41.7
79.05074	2.4
79.05498	38.2
81.06595	3.3
81.07063	56.7
83.04967	2.7
83.08622	16.7
85.06512	4.2
85.10189	17.3
89.06017	1.8
89.58694	1.7
91.05486	62.1
93.06487	3.4
93.07051	43.7
94.78506	1.5
95.04959	4.4
95.08614	54.3
96.05656	1.7
97.06536	4.0
97.10175	8.1
98.21563	3.4
99.08076	6.8
105.07037	62.3
107.04951	1.9
107.08595	29.9
109.06489	2.4
109.10163	21.1
117.07024	14.5
119.08589	59.5
121.10149	19.8
123.11731	4.8
129.07021	10.5
131.08586	21.0
133.10141	49.1
135.11679	19.4
137.13248	3.0
143.08580	8.3
145.10135	22.1
147.11697	49.1
149.09641	2.0
149.13249	8.8
149.15804	2.0
151.11172	4.0
157.10155	8.1
158.00581	1.8
159.11699	20.0
161.13281	36.2
163.11182	2.4
163.14757	3.5
171.11656	10.5
173.13298	13.4
175.14818	13.5
177.12741	2.0
179.14262	3.8
185.13277	10.2
187.14825	5.0
189.12807	2.0
199.14833	5.2
201.16513	2.2
212.34544	1.7
215.17926	2.0
217.15971	1.9
217.19525	1.5
219.18449	1.7
231.21075	11.6
239.23636	4.5
241.17259	3.0
241.19536	40.0
243.21204	1.8
257.24731	2.8
259.20593	90.4
260.21011	1.9
277.21561	4.4
277.48044	1.8
289.21597	1.9
313.27399	100.0
315.23096	7.6
333.24243	53.9
343.48227	1.8
351.25369	2.0
379.45090	1.7
571.47058	9.9
589.48077	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74687	1.4
53.03944	4.3
55.05515	19.0
57.03441	13.2
57.07083	48.4
59.05038	1.3
65.03937	3.7
67.05511	45.4
69.07069	19.0
71.04999	2.9
71.08636	30.5
74.77908	1.6
76.42117	1.7
79.05075	2.0
79.05503	34.2
81.07061	46.3
81.66497	1.5
83.04978	2.8
83.08625	15.9
85.06533	3.1
85.10193	15.4
87.08220	1.4
91.05492	47.1
93.07053	38.1
95.04964	3.9
95.08616	46.8
97.06512	2.8
97.10173	6.6
99.08106	3.3
105.07040	56.8
107.08607	27.1
109.10162	18.7
111.11749	2.4
113.09644	1.6
117.07014	11.2
119.08595	45.4
121.10153	15.8
123.08081	2.1
123.11752	7.9
129.07008	7.8
131.08572	20.5
133.10135	37.9
135.08054	1.7
135.11699	18.4
137.09598	2.0
137.13261	2.3
143.08580	8.8
145.10141	21.3
147.11702	40.3
149.13263	10.7
151.11179	3.1
157.10147	8.1
159.11703	15.4
161.09708	1.7
161.13275	29.7
163.11218	3.1
163.14830	3.7
171.11728	12.1
173.13275	13.0
175.14842	16.4
179.14359	3.8
185.13310	9.9
187.14854	4.3
189.12769	2.1
189.16515	2.0
199.14847	5.9
213.16367	3.4
217.19580	3.8
231.17351	1.6
231.21053	11.6
239.23769	4.8
241.19542	39.9
257.24805	2.5
259.20602	87.7
264.42102	1.6
275.20062	2.3
277.21652	8.7
313.27396	100.0
315.23166	8.7
333.24258	53.3
333.28293	3.4
483.96365	1.5
497.43585	3.1
571.47137	12.0
589.48254	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01862	2.8
55.05513	21.9
57.03442	11.6
57.07075	51.1
59.66888	1.1
65.03940	2.6
67.05505	50.1
69.06734	1.7
69.07071	20.3
69.31467	2.8
69.31890	8.3
69.43938	1.1
71.04996	3.0
71.08633	35.8
77.03942	1.4
79.05489	36.1
81.03419	1.4
81.07055	48.8
83.04955	2.6
83.08624	18.1
85.06530	3.5
85.10186	16.8
91.05483	54.5
93.07048	43.2
95.04976	3.1
95.08607	51.2
96.08936	1.3
97.06521	2.4
97.10173	8.6
99.08063	5.0
103.05449	2.2
103.07536	1.1
105.04517	1.4
105.07031	57.1
107.08597	23.1
109.06527	1.9
109.10158	17.3
110.69940	1.2
110.94734	1.2
111.08025	2.2
111.11701	2.1
113.09609	2.7
117.07026	14.4
119.08585	55.1
121.06499	1.3
121.09324	2.0
121.10143	21.6
123.11713	7.8
125.09681	2.1
125.13304	1.7
128.06187	2.3
129.05431	1.4
129.06992	8.9
131.08566	24.1
133.10130	41.9
135.08052	2.3
135.11679	18.7
137.09616	2.6
137.13274	2.1
142.26321	1.6
143.08582	6.8
145.10120	19.4
147.11685	48.0
149.09624	2.3
149.13269	11.9
151.11143	4.6
157.10127	10.0
159.11691	16.2
161.13260	38.5
163.11166	4.9
163.14828	4.5
165.12743	2.2
171.11641	13.8
173.13292	12.2
175.14821	16.1
177.12660	1.4
179.14299	6.7
185.13232	10.9
187.14798	5.1
189.12814	2.6
189.16359	2.3
191.14198	1.4
199.14798	7.5
203.14348	1.9
204.26558	1.2
213.16324	2.7
215.17914	2.2
217.15800	1.9
217.19455	2.3
231.21066	11.3
239.23689	6.8
241.17007	1.5
241.19492	44.9
259.20581	97.9
260.21066	1.3
275.19876	1.6
277.21616	12.1
277.71048	1.3
313.27368	100.0
314.27805	1.8
315.23245	6.8
333.24219	50.1
422.28275	1.4
437.80844	1.2
497.43445	2.7
571.47528	9.6
589.48199	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	589.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98764	2.3
53.03951	14.3
55.01878	12.6
55.05516	38.8
57.03436	12.5
57.07075	4.1
65.03944	5.1
67.05511	100.0
69.03416	5.1
69.07075	23.4
71.04989	4.8
71.08618	4.0
77.03929	2.6
79.05503	89.7
81.03423	13.2
81.07066	81.0
83.04987	21.1
83.08617	16.7
85.06561	4.8
91.05490	100.0
93.06484	4.9
93.07057	86.5
95.04978	36.2
95.08607	42.4
97.06584	11.6
97.10201	5.6
99.04419	2.7
103.05482	4.2
105.04562	4.6
105.07044	83.4
107.04957	15.5
107.08611	45.6
109.02959	3.8
109.06539	16.4
109.10167	33.2
111.04430	4.0
111.08096	10.5
113.05999	5.5
115.05373	2.9
117.07050	18.1
119.08585	38.0
121.06546	13.4
121.10158	16.3
123.04424	3.3
123.08081	8.2
123.11723	9.3
123.86680	3.1
125.06048	2.8
125.09622	3.5
128.06261	6.9
129.07024	22.8
131.04921	2.8
131.08568	21.5
133.06474	8.2
133.10143	55.6
135.08060	11.7
135.11687	13.3
137.09622	4.9
141.07021	3.3
143.08595	15.2
145.06569	2.6
145.10118	19.2
146.25589	2.5
147.04390	3.6
147.08060	11.2
147.11707	35.2
149.09613	8.8
149.13324	3.6
151.11182	18.8
155.08542	4.8
157.10141	8.7
159.08049	4.7
159.11728	9.4
161.09615	14.6
161.13284	17.1
163.11069	5.0
165.09216	4.1
165.12788	3.6
169.10136	4.4
171.11682	28.8
175.11176	5.7
177.09123	2.8
177.12814	2.9
179.14342	6.4
183.11684	3.4
185.13336	4.4
187.11073	2.9
189.12692	12.7
195.11668	3.1
207.13780	17.3
207.17491	7.4
209.13300	4.1
215.12653	3.2
237.16327	2.9
245.19052	13.2
253.14401	38.0
255.17520	3.7
263.20224	4.1
267.15955	3.9
271.15680	3.0
273.18518	44.4
275.19943	3.3
277.21719	4.1
281.17529	45.6
291.19562	76.2
309.20544	8.2
347.22229	6.3
365.23279	28.0
383.24203	3.2
461.29718	3.0
477.28427	9.6
553.35297	5.8
571.36267	45.3
589.41278	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	589.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01879	12.3
55.05279	2.1
55.05517	31.8
56.46361	1.9
57.03427	7.6
65.03933	3.5
67.05513	60.5
69.03429	9.9
69.06729	2.6
69.07076	29.9
69.64604	13.5
71.04992	4.8
74.98316	2.1
79.05502	70.5
81.03416	11.6
81.07067	61.3
83.04986	16.4
83.08624	14.4
85.02894	2.5
91.05487	54.5
93.06487	4.0
93.07050	60.8
95.04973	27.4
95.08615	36.9
97.02893	6.9
97.06526	7.5
97.10182	19.8
98.20832	3.9
105.04506	4.1
105.07047	44.6
107.04961	13.8
107.08598	27.1
109.02850	3.0
109.06514	6.2
109.10160	13.5
111.04419	2.7
111.08086	5.0
117.07021	16.2
119.08578	32.7
121.06487	6.2
121.10159	14.2
123.08058	18.5
123.11718	3.6
125.09656	11.3
129.07024	20.4
131.08575	15.4
133.06487	6.7
133.10143	14.5
135.08034	6.0
135.11728	5.9
137.09590	4.5
141.06982	3.4
143.08562	9.0
145.06517	2.4
145.10158	15.6
147.08060	12.5
147.11693	25.8
149.09633	5.1
151.11238	2.3
153.09023	2.7
157.10118	6.6
159.11710	5.3
161.09630	4.0
161.13258	10.5
163.11183	7.0
165.09143	4.0
169.12167	3.7
169.84512	2.2
171.10304	3.2
171.11694	21.4
173.09541	2.4
173.13293	2.5
175.11093	2.7
177.12688	2.9
179.14291	3.9
187.13315	3.6
189.11182	7.7
189.12737	7.1
193.12268	3.0
195.11620	2.9
207.13803	16.4
223.13319	13.0
227.12848	13.7
249.14883	3.7
255.17357	2.4
267.15900	2.3
273.18497	21.6
281.17499	40.8
291.19562	100.0
300.22571	2.6
339.67422	2.4
347.21942	2.4
365.23257	23.1
366.62698	2.4
473.29242	2.6
491.30518	2.5
494.94897	2.2
547.43512	2.2
553.34985	3.0
571.36292	80.6
589.36646	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	589.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.9
51.02376	2.1
53.03944	8.3
55.01875	10.6
55.05518	25.7
56.18170	1.5
57.03441	33.0
57.07064	2.3
65.03931	6.7
67.05508	90.0
69.03434	3.1
69.07069	13.8
69.22218	9.9
69.22629	4.5
71.04981	5.8
79.05498	75.9
81.03407	8.2
81.07062	55.7
83.04995	12.8
83.08599	9.5
85.06548	26.6
91.05486	59.6
93.07049	58.9
95.04974	78.8
95.08061	2.7
95.08615	32.4
97.06556	8.2
97.07063	1.6
97.10127	4.0
101.05994	1.8
103.05475	2.9
105.04510	2.4
105.06329	1.8
105.07037	45.7
107.04964	19.5
107.08603	25.1
109.06523	78.0
109.10165	8.3
111.08075	2.7
113.06015	61.1
115.05440	4.0
117.07022	18.3
119.04927	1.7
119.08592	26.8
121.06503	9.4
121.10151	10.0
123.04435	1.7
123.08060	10.1
123.11752	1.9
125.09637	2.0
128.06235	6.5
129.07008	16.1
130.07794	2.3
131.08577	25.8
133.06508	5.3
133.10141	18.3
135.08055	48.6
135.11674	9.8
137.09615	3.3
141.06976	3.4
142.07808	2.4
143.08556	19.0
145.06488	2.6
145.10132	23.5
147.08049	12.1
147.11687	22.3
149.09572	8.0
149.13263	4.2
151.11185	1.8
152.70946	1.5
155.08589	2.9
157.10144	10.7
159.08096	5.4
159.11723	10.2
161.09636	12.2
161.13269	11.8
163.07617	1.6
163.11180	12.0
165.09081	4.1
169.10167	3.2
171.11696	20.5
173.09633	2.1
173.13263	4.0
175.11189	4.3
177.12770	6.1
183.11714	3.7
185.13206	2.5
187.11101	2.7
187.14853	1.7
189.12746	10.9
195.11807	1.6
195.13843	2.5
197.13297	2.4
199.10968	2.0
199.14844	5.7
201.12744	5.6
207.13811	11.8
209.13338	1.8
217.15884	22.0
223.13124	2.0
227.17987	2.4
237.16464	2.9
245.19081	2.9
255.17458	6.2
273.18518	54.1
275.20053	2.9
279.15848	3.4
281.17520	54.3
291.19559	100.0
309.20633	3.5
347.22253	14.2
365.23267	11.9
513.31793	2.3
553.35272	9.8
571.36359	23.7
589.32867	1.5
595.79498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.1
53.03942	8.7
55.01872	9.3
55.05519	18.6
57.03441	26.9
59.13407	1.6
60.58715	1.8
65.03944	6.2
66.14990	1.5
67.05511	76.4
69.03419	2.6
69.07077	9.3
70.90860	4.5
71.04987	3.6
79.05499	59.9
81.03416	6.7
81.07065	50.9
83.04969	10.5
83.08635	7.6
85.06550	14.5
90.73258	1.6
91.05486	60.5
93.07051	54.3
95.04979	69.2
95.08611	27.7
97.06550	10.3
97.10186	4.6
105.04549	3.3
105.07047	46.3
107.04993	17.8
107.08607	27.3
109.06528	58.1
109.10172	4.8
111.08093	1.9
113.06020	46.9
115.05421	3.1
116.06249	2.3
117.07045	18.1
119.08591	25.7
121.06513	5.7
121.10162	8.7
123.08074	7.6
128.06238	4.1
129.07013	17.7
130.07872	2.4
131.08585	24.0
133.06520	2.6
133.10130	10.3
135.08073	42.5
135.11687	8.0
141.07018	1.9
143.08536	15.1
145.10147	18.9
147.08089	9.3
147.11705	19.2
149.09615	6.9
149.13274	2.9
157.10172	6.9
159.08057	5.0
159.11720	7.9
161.09669	14.4
161.13268	7.6
163.11235	5.5
165.09082	3.0
169.10089	3.4
171.11708	19.3
173.13254	3.5
175.11192	3.0
177.12764	5.9
181.09998	1.7
183.11719	4.1
185.13242	4.2
187.11168	3.1
189.12813	7.3
193.27364	1.9
195.13860	3.6
199.14845	5.8
201.12816	2.4
207.13835	12.7
209.21536	1.8
217.15965	14.0
223.13353	2.1
227.17906	3.1
233.15408	2.9
245.19028	3.4
273.18546	43.7
279.15961	5.3
281.17499	36.4
281.20389	3.4
291.19571	100.0
309.20676	4.1
347.22372	9.0
365.23315	11.8
471.90643	1.8
553.35254	12.8
571.36365	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	589.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.0
54.38216	2.5
55.01872	13.6
55.05518	27.8
57.03445	19.6
62.89063	3.1
65.03926	5.6
67.05507	85.5
69.03430	3.9
69.07070	20.4
71.04990	6.7
71.51512	5.1
79.05498	78.5
81.03410	9.3
81.07057	77.0
83.04997	16.1
83.08606	12.8
85.06544	10.0
91.04907	3.9
91.05484	71.6
93.07046	72.9
94.07420	2.8
95.04964	51.8
95.08609	42.9
97.06528	8.8
97.10176	6.4
99.08099	3.6
103.05454	3.6
105.04506	3.3
105.07035	62.5
107.04954	8.6
107.08601	38.0
109.06534	40.4
109.10169	23.4
113.06007	29.9
115.05430	3.0
117.07000	23.6
119.08598	39.6
121.06504	11.0
121.10143	18.7
123.08068	7.7
123.11715	6.9
128.06186	5.6
129.07051	18.2
131.08572	22.1
133.06509	5.3
133.10133	32.5
135.08061	33.9
135.11690	9.1
141.06999	3.6
142.08031	3.0
143.08568	15.2
145.10143	22.0
147.08049	8.4
147.11688	43.4
149.09612	8.2
151.11227	9.0
157.10173	9.1
159.08119	3.1
159.11728	8.3
161.09573	18.7
161.13272	9.9
163.11179	7.7
165.09109	3.4
165.12842	5.4
169.10188	6.1
171.11678	17.1
173.13341	4.3
175.11159	4.3
177.12784	4.7
179.14412	4.0
181.10117	3.9
183.11664	2.9
185.13237	4.8
187.11151	5.1
189.12755	14.0
199.14841	5.0
201.12741	2.9
207.13782	18.1
209.13368	5.3
215.45198	2.9
217.15919	11.1
219.13838	3.3
227.18143	3.2
237.16577	3.5
245.19051	4.7
253.14375	10.8
255.17445	5.6
263.20206	3.1
267.15945	8.9
273.18518	40.5
281.17511	43.9
285.16965	10.0
287.23712	9.3
291.19550	100.0
309.20667	5.9
347.22186	8.1
361.27368	9.2
365.23209	15.8
477.28458	6.0
553.34967	4.1
571.35925	27.1
576.21326	3.2
589.42694	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	589.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.6
53.93017	2.1
54.24161	2.2
55.01858	8.7
55.05517	35.2
57.03433	11.9
57.07074	5.9
64.17284	2.2
65.03945	4.4
66.40273	2.2
67.05508	87.4
69.03425	5.5
69.07066	23.0
71.04989	7.2
71.08610	2.4
71.51247	4.0
76.20604	2.4
77.03933	2.8
79.05499	84.8
81.03419	16.9
81.07058	90.6
83.04993	17.2
83.08624	15.2
85.06535	6.2
91.05482	100.0
93.07048	87.1
95.04978	22.9
95.08614	37.3
97.02884	2.9
97.06543	11.4
97.10165	6.9
99.04462	3.0
99.08122	3.4
99.18419	2.2
105.04522	5.7
105.07034	70.8
107.04962	11.6
107.07967	3.6
107.08612	39.1
109.02842	3.8
109.06518	13.2
109.10162	33.8
111.04467	6.2
111.08073	8.3
113.05967	2.5
115.05444	5.2
117.07026	22.0
119.04936	4.4
119.08590	46.7
121.06522	14.8
121.10124	15.3
123.04491	3.0
123.08070	10.6
123.11691	6.9
125.06006	3.8
125.09636	2.7
128.06209	9.3
128.20197	2.4
129.06990	20.4
131.08591	22.8
133.06491	10.3
133.10132	48.9
135.08028	6.7
135.11668	9.1
137.09578	3.8
139.07518	5.5
141.06973	4.6
142.07860	2.7
143.08554	16.3
145.06496	3.3
145.10141	20.6
147.08049	13.0
147.11693	30.8
149.06007	2.8
149.09627	8.0
149.13292	2.9
151.07556	3.6
151.11180	22.8
155.08566	3.9
157.10097	9.6
159.08069	4.8
159.11700	7.2
161.09598	14.5
161.13269	11.9
163.11176	6.6
165.12616	2.3
169.10144	4.0
171.11682	24.7
173.09618	2.7
173.13339	3.5
175.11230	7.5
179.10738	3.1
179.14368	3.4
181.10100	3.2
183.11710	2.5
185.13203	3.9
189.12772	9.9
199.11197	4.1
207.13795	15.9
217.12383	2.9
223.13205	2.7
227.17906	3.1
245.19008	14.2
253.14345	32.9
255.17346	4.6
255.45110	2.6
263.20218	6.1
273.18530	40.1
275.20007	3.4
281.17511	38.6
291.19574	69.2
309.20648	7.8
347.22113	6.7
365.23233	29.2
477.28586	5.0
479.31403	2.6
487.10730	2.6
520.70538	2.5
553.35175	5.1
571.29303	2.6
571.36420	40.6
589.34283	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	589.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34049	1.8
53.03950	8.0
55.01872	11.1
55.05514	30.5
57.03436	5.8
57.07079	2.2
59.05007	1.8
65.03924	3.6
67.05507	56.2
69.03428	5.3
69.07071	27.2
69.21338	6.1
69.21758	10.8
71.05000	2.6
79.05498	61.3
81.03412	12.3
81.07060	50.9
83.04982	11.2
83.08619	15.1
85.06535	2.6
91.04911	2.0
91.05484	52.4
93.07050	52.6
95.04965	21.5
95.08047	3.1
95.08606	27.4
97.02888	5.6
97.06522	7.0
97.10167	16.2
103.05452	2.2
105.04504	3.2
105.07037	37.0
105.07700	3.4
107.04971	13.7
107.08607	21.6
108.06999	1.6
109.06524	5.7
109.10136	9.1
111.04449	3.3
111.08078	4.0
115.05456	2.7
117.07032	16.2
119.04910	2.2
119.08581	25.8
121.06492	3.6
121.10175	8.1
123.08072	13.1
123.11720	4.1
125.09610	12.5
128.06183	2.8
129.07018	15.6
131.08592	10.5
133.06511	6.0
133.10141	11.2
134.07173	2.4
135.08035	4.5
135.11642	3.6
137.09607	5.3
141.06987	2.3
143.08598	8.3
145.10139	12.2
147.04408	6.0
147.08057	7.0
147.11694	21.8
149.09596	3.2
153.09122	2.0
157.10124	4.3
159.08035	2.2
159.11697	3.8
161.09628	6.1
161.13309	8.1
163.11162	2.3
165.09164	4.5
166.94290	2.1
169.10164	4.1
169.12227	3.6
171.10254	2.7
171.11638	16.3
175.11189	3.9
179.14494	1.9
185.13313	2.8
187.13342	2.8
189.11203	7.3
189.12782	5.9
194.85324	1.9
207.13774	13.6
223.13322	10.6
227.12750	10.1
227.18015	2.6
228.76762	2.1
249.14836	3.5
256.64404	1.9
259.13242	4.2
273.18524	23.0
281.17459	35.4
291.19543	100.0
313.27191	2.6
365.23151	16.3
377.37933	1.8
491.29706	2.1
571.36243	68.0
589.36414	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	589.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.9
53.03944	7.8
55.01882	12.4
55.05516	34.3
55.19431	1.7
55.94886	1.7
57.03438	9.3
57.07083	3.4
67.05511	65.6
69.03432	7.7
69.07073	31.7
71.04978	3.8
71.51297	2.7
79.05497	70.1
79.40572	2.0
81.03420	15.5
81.07065	64.3
83.04998	15.3
83.08617	14.3
85.06557	3.3
91.05489	59.8
93.06485	3.8
93.07053	64.8
95.04977	22.4
95.08610	36.0
97.02889	5.1
97.06536	9.2
97.10168	22.3
99.08108	3.6
103.05470	2.2
105.04520	3.3
105.07039	48.1
107.04969	12.4
107.08608	27.5
109.06524	9.3
109.10192	12.1
111.04484	3.2
111.08092	6.1
115.05437	3.0
117.07043	20.1
118.22702	2.0
119.04917	3.9
119.08595	28.1
121.06505	8.0
121.10175	10.2
123.08070	9.7
123.11700	3.5
125.09645	8.9
127.07550	3.0
128.06244	3.1
129.07007	16.7
131.04865	3.0
131.08562	13.9
133.06512	3.0
133.10147	19.4
134.07330	2.1
135.08046	5.7
135.11673	5.5
137.09639	2.8
141.06995	2.7
143.08563	13.8
145.10127	15.3
147.08055	13.3
147.11702	22.9
149.09682	5.2
149.13292	3.6
151.11214	3.1
155.08522	2.5
157.10129	7.4
159.08070	2.8
159.11723	5.3
161.09619	6.9
161.13289	9.9
163.11153	3.4
169.10164	3.5
171.10367	3.6
171.11647	18.8
175.11215	3.4
177.12723	3.5
179.14494	2.9
181.10056	2.3
181.12311	2.3
183.11765	3.4
185.13257	3.7
189.11221	5.2
189.12755	10.2
195.13751	2.6
197.13245	4.6
203.12383	2.3
207.13820	16.3
223.13229	9.8
227.12831	6.9
245.69922	2.2
249.14922	3.6
253.14377	2.6
273.18536	20.9
275.20114	3.1
281.17517	36.0
291.19565	100.0
301.52380	2.0
315.38608	2.0
347.21985	3.4
365.23224	21.3
464.98541	2.3
491.30334	3.7
571.36310	76.7
589.36877	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	588.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33470	0.8
57.03426	1.0
69.03446	1.0
69.25661	2.4
69.26080	5.2
70.06615	1.5
79.05515	4.5
81.03404	0.9
85.02911	1.4
91.05507	4.5
98.20709	1.6
103.05460	4.8
105.07040	14.6
107.04977	2.6
109.06516	2.1
115.05486	0.8
118.04176	6.0
119.04945	3.1
120.05749	1.1
121.06559	1.1
122.07253	1.4
123.04413	1.3
130.56418	1.0
131.04967	8.3
133.02873	4.5
133.06517	17.2
135.04453	1.0
135.08041	3.2
137.05972	7.7
139.03908	3.2
146.03693	1.3
147.04437	3.9
148.05354	0.9
149.05997	3.7
150.06761	9.0
151.03900	1.1
151.07567	3.6
152.08337	1.2
153.01868	1.1
154.04988	1.5
154.63004	0.8
161.06006	3.3
163.07549	11.5
165.05507	1.4
165.09111	12.2
167.07053	8.4
177.09163	0.8
177.37450	1.0
178.06264	1.2
179.07039	4.9
188.27512	0.8
191.07161	0.8
193.08620	46.3
197.11789	1.2
204.06578	0.8
211.09665	100.0
212.10005	1.2
213.11302	1.3
225.06154	0.8
300.81866	1.0
361.16519	2.6
378.89017	0.9
397.44193	1.0
588.21313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
54.60437	1.4
54.82122	1.2
55.01878	9.8
55.05276	2.2
55.05515	29.1
57.03435	5.0
57.07078	50.5
57.91343	1.2
65.03936	3.8
67.05506	55.4
69.07069	37.0
71.04982	2.7
71.08630	36.8
71.42944	2.1
73.06551	1.4
79.05497	34.8
81.03420	2.9
81.07062	57.7
83.04983	5.9
83.08614	23.4
85.06536	2.7
85.10181	16.0
89.06001	1.6
91.05482	48.7
93.07046	31.1
95.01315	2.0
95.04972	7.3
95.08608	53.1
97.06539	14.0
97.10157	11.0
103.05465	2.0
104.97916	1.2
105.04569	1.7
105.07034	49.0
107.04945	10.0
107.08589	26.3
109.06540	4.4
109.10159	24.0
111.08077	2.9
111.11730	2.1
113.09675	2.1
115.05455	3.4
116.06277	2.0
117.07020	22.6
119.08584	30.8
119.09366	2.1
120.61913	1.2
121.06511	3.1
121.10157	13.0
123.04456	1.4
123.08058	3.7
123.11684	7.3
125.09631	2.7
128.06218	2.9
129.07001	9.3
130.07805	4.1
131.08577	31.1
133.10150	28.1
135.08032	2.8
135.11693	8.5
137.13232	2.8
141.07048	3.0
142.07848	2.2
143.08575	13.1
145.10126	68.0
147.11687	22.2
149.09630	11.1
149.13255	4.1
151.11234	1.6
155.08569	4.1
157.10132	7.5
157.51445	1.4
159.08054	1.6
159.11691	22.5
161.09653	1.5
161.13271	7.8
163.11205	9.3
163.14856	1.8
169.10107	6.1
171.11688	11.5
171.50169	1.4
173.09677	1.8
173.11867	2.1
173.13289	10.9
175.11227	1.8
175.14804	4.3
177.12816	3.0
179.14314	6.5
183.11734	8.5
185.13269	5.0
187.11151	2.8
189.12912	2.0
197.13271	5.7
199.14891	2.8
201.12697	1.3
205.12306	1.8
215.17857	1.4
229.19461	7.0
239.17946	12.2
239.23709	7.1
241.19638	2.9
247.20580	3.5
257.19009	49.3
259.20523	7.6
275.20065	70.9
289.84091	1.5
291.19461	1.6
293.21069	7.0
311.22696	1.5
311.25726	8.3
313.21753	2.9
313.27362	35.2
331.22699	19.3
333.24353	3.8
349.23962	3.0
485.28525	1.5
506.72864	1.5
518.97540	1.6
569.45483	4.1
587.46735	100.0
588.47125	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	587.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01869	7.8
55.05269	2.2
55.05517	37.1
57.03438	12.4
57.07078	37.6
62.22862	1.4
65.03937	3.8
67.05508	63.1
69.07070	49.3
71.04984	4.1
71.08636	21.6
79.05496	62.3
81.03417	1.8
81.07063	70.1
83.04975	6.9
83.08622	32.5
85.06555	3.8
85.10188	9.3
91.05484	54.7
93.07051	55.9
95.01330	2.6
95.04987	7.1
95.08612	62.1
97.06548	12.5
97.10172	15.9
98.20810	3.6
99.08110	5.7
103.05486	2.0
105.04564	3.0
105.07037	64.3
107.04959	6.3
107.08598	40.9
109.06525	4.8
109.10165	22.3
111.08091	4.6
111.11750	4.0
113.09668	1.7
115.05465	2.9
117.07029	19.1
119.08581	46.3
121.06511	2.5
121.10157	25.8
123.08091	3.1
123.11747	8.4
124.63240	1.3
125.09669	3.7
125.13220	1.8
129.05518	1.8
129.07004	10.6
130.07785	3.3
131.08582	35.3
133.10144	43.0
135.08115	2.2
135.11694	23.8
137.09583	2.2
137.13271	2.9
141.07043	1.4
141.16478	1.9
142.07814	1.8
143.08578	11.4
144.09293	1.6
145.06488	1.9
145.10133	46.1
147.11693	41.3
147.12799	2.4
149.09628	14.7
149.13261	13.4
151.11246	2.2
151.14836	1.5
155.08569	2.9
157.10153	9.2
159.11723	22.4
161.13275	25.4
163.11176	10.7
163.14856	3.5
165.09158	2.1
169.10135	2.9
171.11679	13.1
173.13293	13.3
175.11209	3.3
175.14816	10.9
177.12787	2.8
179.14363	5.8
183.11740	5.4
185.13248	6.7
187.14864	4.7
189.11140	1.9
189.12726	1.6
197.13293	3.3
199.14903	4.8
213.16420	2.0
219.21133	2.8
229.19626	3.5
231.21143	6.0
237.22235	3.5
239.17982	7.3
239.23772	2.8
241.19495	26.4
243.20956	1.7
247.20605	2.0
257.19012	28.2
259.20587	53.5
275.20090	49.7
277.21796	1.9
293.21246	4.7
311.25851	53.3
313.27380	13.9
315.23212	4.7
331.22638	8.4
333.24268	29.3
495.41956	2.6
513.43030	1.7
564.90649	1.9
569.45709	9.0
587.46735	100.0
588.46997	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	587.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01874	12.1
55.05511	28.4
57.03436	4.2
57.07076	46.2
65.03944	3.8
67.05507	58.8
69.03420	1.7
69.07069	38.8
69.81366	4.4
71.04983	2.0
71.08633	29.0
72.73994	0.8
77.03905	1.2
79.05495	41.4
81.03416	5.8
81.07057	67.4
83.04992	7.8
83.08624	23.2
83.49942	0.8
85.06528	3.0
85.10187	15.6
91.05485	54.3
93.07047	33.3
93.07935	1.1
95.01341	7.4
95.04975	8.4
95.08610	56.1
97.06532	16.1
97.10178	10.5
99.08107	3.5
103.05466	1.7
105.04522	1.9
105.07034	60.9
107.04965	15.0
107.08594	24.0
109.06559	5.7
109.10160	20.1
111.08089	3.2
111.11704	2.1
113.09680	1.5
115.05483	2.8
117.07018	17.9
119.08581	34.3
121.06531	2.7
121.10136	12.0
123.04486	1.5
123.08060	3.5
123.11723	6.1
125.09634	3.6
128.06238	1.6
129.07005	5.6
130.07799	2.8
131.08562	26.4
133.06425	1.4
133.10135	37.3
135.08072	4.8
135.11703	7.9
137.09642	2.8
137.13321	1.5
141.06960	2.3
143.08611	5.7
145.06490	2.6
145.10135	30.6
147.08067	1.8
147.11699	21.0
149.09625	10.3
149.13292	5.5
151.11215	3.8
155.08578	2.5
157.10136	5.9
159.08072	1.2
159.11693	16.4
161.09634	1.3
161.13264	10.5
163.11180	7.3
163.14822	1.6
165.12747	0.9
169.10193	3.8
171.11670	6.5
173.09631	1.3
173.13286	7.7
175.11108	1.9
175.14832	1.8
177.12779	3.9
179.10635	1.3
179.14316	18.5
183.11742	3.9
185.13295	3.3
187.11246	2.8
189.11282	0.9
197.13309	4.0
199.14882	1.5
201.12816	1.1
201.61449	0.9
205.12308	0.9
213.16386	1.0
215.14384	1.0
215.18022	1.6
219.17490	3.4
229.19566	5.6
237.22156	2.0
239.17961	6.5
239.23743	5.2
241.19510	1.7
247.20692	3.0
257.19019	28.4
259.20572	1.4
266.67148	1.1
275.20068	81.1
276.20392	1.1
277.21722	4.1
293.21115	6.7
313.21835	1.8
313.27386	11.3
331.22711	5.0
349.23840	2.7
443.48895	1.0
495.04739	1.0
516.60297	1.0
587.46692	100.0
588.47052	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	587.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.3
53.03946	13.9
55.01872	13.1
55.05516	27.8
56.55812	1.2
57.03439	16.2
57.07064	2.6
65.03955	6.8
66.45345	1.3
67.05508	84.4
68.99796	1.3
69.03432	4.5
69.07075	19.1
71.01350	4.2
71.05007	4.8
71.51336	2.2
72.08131	1.3
77.03934	3.6
79.05498	100.0
80.06277	2.7
80.10677	1.4
81.03421	21.7
81.07060	76.0
82.04232	1.3
83.04988	28.1
83.08620	11.2
85.02902	2.2
85.06546	5.2
91.05487	95.2
92.06259	1.3
93.07050	75.1
94.04193	1.5
95.04972	50.1
95.08607	44.0
97.02898	4.0
97.06539	11.8
97.10163	5.1
98.07297	1.7
99.08115	2.4
103.05469	5.3
105.03415	1.5
105.04529	5.3
105.07036	66.9
107.04963	59.2
107.08604	28.9
108.05764	2.6
109.02889	1.5
109.06526	22.0
109.10159	11.1
111.04453	12.1
111.08096	4.6
112.05245	5.3
113.06025	4.9
115.05445	6.9
117.07021	31.9
119.04967	5.3
119.08583	40.7
120.05739	2.0
121.06517	17.0
121.10133	11.0
122.07301	12.6
123.04439	5.4
123.08083	11.5
123.11761	2.7
125.06001	5.1
125.09634	3.4
128.06250	7.2
129.07024	23.6
130.07765	2.0
131.04961	3.1
131.08574	24.9
133.06508	17.5
133.10138	22.6
135.04379	2.4
135.08064	11.9
135.11699	11.9
136.08916	1.7
137.05998	1.8
137.09644	4.6
139.07532	1.4
141.07008	6.9
142.07819	2.2
143.08577	16.8
145.06500	13.1
145.10139	20.2
146.07242	1.4
147.08061	22.3
147.11690	24.7
149.06012	3.2
149.09633	6.7
149.13278	4.6
151.07523	2.3
154.07823	2.1
155.08585	5.5
156.09349	1.4
157.10138	5.5
159.08076	8.0
159.11710	11.4
161.05937	1.6
161.09634	14.7
161.13280	12.1
162.10332	1.8
163.07545	2.7
163.11171	6.6
165.07024	1.6
165.09172	3.6
167.08624	3.0
169.10083	6.2
171.08078	1.5
171.11700	19.3
173.09648	2.5
173.13295	5.0
175.07469	1.4
175.11211	4.4
177.12785	5.9
179.14291	3.4
181.10062	1.7
183.11752	2.9
185.09587	2.6
185.13245	4.3
187.11223	7.1
187.14822	4.7
189.12724	11.8
191.10571	2.0
197.13220	2.8
199.11218	1.8
199.14789	1.3
201.12798	2.2
203.14365	3.6
205.12265	2.6
205.15953	2.9
207.13826	13.2
215.14372	4.1
217.15910	3.1
225.14799	2.0
228.62584	1.3
231.13800	2.3
233.15384	15.0
238.93924	1.2
243.13791	3.5
249.14854	1.7
251.16507	3.0
259.20526	1.6
261.14923	4.3
261.18521	2.0
263.16309	1.4
271.16968	3.9
273.15564	1.6
273.18466	10.3
279.15952	5.7
281.17493	7.6
283.92410	1.3
289.17984	11.2
290.18820	8.6
291.19501	4.5
307.18945	3.5
323.18655	1.5
325.20053	2.0
335.18768	2.2
363.21692	3.5
390.03159	1.3
445.29440	1.4
459.31219	3.0
513.32178	12.0
529.31769	5.6
541.31635	30.0
553.34558	2.2
569.34485	4.1
570.34943	2.4
587.35577	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	586.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79897	2.1
86.38594	0.7
87.06432	0.9
91.05479	1.2
96.44646	0.8
132.05569	3.0
160.05075	100.0
160.65375	0.8
192.07690	85.4
193.08029	1.1
295.47681	1.1
309.97760	1.0
486.52588	1.0
535.42627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.1
57.07080	34.1
60.97540	0.8
67.05504	2.2
69.07074	3.0
69.76031	3.1
71.08640	22.7
73.06557	7.5
74.18798	0.6
79.05503	1.9
79.10784	0.6
81.06653	0.6
81.07053	3.7
83.08626	3.1
85.10191	20.4
86.84325	0.7
87.04469	6.8
87.08104	0.7
89.06039	100.0
91.05491	2.2
91.07603	1.4
93.07048	2.5
95.08626	1.6
97.10167	4.3
99.11718	3.6
105.07045	3.1
107.07088	1.8
107.08607	1.9
109.06556	0.8
109.10160	1.5
111.11749	0.9
113.13296	1.4
117.06995	1.1
117.09130	6.0
119.08620	2.0
120.08971	1.0
121.10182	1.3
129.07028	1.1
130.08649	1.7
131.07069	2.1
131.08618	1.5
133.08614	46.8
133.10223	1.5
143.08595	0.8
145.10172	1.5
149.13217	0.8
149.16159	0.6
155.17952	4.2
159.11731	0.8
161.11722	1.7
171.11726	0.7
175.09630	1.1
177.11229	18.9
193.34769	0.7
199.20638	2.9
201.62845	0.7
221.13831	3.9
223.15164	0.8
240.23203	1.0
243.23239	7.4
283.17331	1.7
287.25717	5.2
309.27869	0.9
310.21347	0.7
324.43237	0.9
327.20392	1.2
371.23325	0.7
415.25394	3.3
568.40900	2.0
569.42755	6.4
586.44165	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	585.4154
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
53.03939	4.5
55.01870	1.9
55.05515	21.6
56.20293	1.4
57.03428	6.5
57.07079	4.9
67.05508	43.8
69.07071	19.4
71.04988	1.6
71.08628	1.9
76.54302	1.3
77.03958	1.8
79.05068	2.3
79.05501	33.7
81.03403	1.6
81.07062	46.5
83.04972	4.1
83.08629	11.1
85.06541	3.1
88.86214	1.3
91.05483	35.0
93.07046	41.0
95.04963	6.5
95.08621	29.5
97.06538	5.8
97.10168	2.8
105.04556	1.6
105.07038	35.4
107.04981	4.7
107.08603	18.6
109.06501	3.4
109.10159	12.0
111.08098	2.6
115.05463	3.3
117.07030	16.5
119.08589	22.5
121.10158	14.6
123.08141	2.9
123.11692	3.2
125.09615	2.0
128.06244	4.3
129.07004	18.1
130.07780	1.8
131.08580	27.8
133.06519	2.2
133.10146	17.7
135.08118	3.2
135.11737	9.2
141.06996	6.7
142.07774	4.5
143.08572	22.6
144.09412	2.0
145.10138	27.0
147.08057	3.3
147.11693	14.6
149.13278	5.3
153.06894	1.9
154.07809	2.8
155.08568	22.2
156.09402	2.4
157.10141	20.6
159.11694	17.8
159.50673	1.4
161.09612	2.0
161.13245	9.4
163.14696	1.7
165.07047	1.8
166.07735	1.6
167.08577	7.2
168.09355	4.2
169.10168	18.9
170.10989	1.8
171.11726	20.0
173.13316	11.8
175.14807	3.3
177.12692	2.1
179.08565	3.0
181.10146	15.0
182.10947	3.3
183.11708	18.8
185.13271	12.2
187.14816	4.6
189.12828	1.5
193.10178	4.2
195.11746	10.2
195.13351	2.1
197.13286	13.3
199.14896	8.5
201.16394	2.3
207.11795	2.8
207.13707	1.9
209.13277	7.6
211.14752	8.5
213.16431	6.0
219.17552	2.1
221.13301	2.8
223.14850	5.5
225.16391	4.3
235.14824	2.3
235.16914	3.4
237.16350	3.4
239.17908	2.7
241.19560	4.2
250.59978	1.5
251.17978	2.9
257.18896	2.1
259.20590	5.0
267.21005	1.8
275.20074	3.5
279.16025	2.7
281.17471	3.0
283.20343	2.3
285.22165	1.7
287.23685	5.2
292.83655	1.6
293.18961	2.2
297.18808	2.0
309.20538	2.6
315.23215	2.1
323.23697	3.2
325.21722	2.2
325.25436	2.0
333.24429	3.5
339.23068	2.1
351.26904	1.8
353.24759	2.4
361.27151	1.8
363.26981	2.6
381.28101	1.6
447.36285	3.8
457.34793	3.5
465.37369	10.4
475.35791	24.0
493.36938	25.1
511.37878	17.1
529.39215	3.4
531.38080	2.7
549.39465	8.4
555.40100	4.3
557.41913	6.8
567.40472	100.0
568.40674	2.9
585.41595	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4151
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
53.03953	5.3
55.01881	4.1
55.05515	22.0
57.03439	5.1
57.07084	3.9
65.32730	1.4
66.04719	1.6
66.61497	1.4
67.05508	44.7
69.07073	20.3
71.05013	2.6
71.08643	1.8
71.51730	2.7
79.05500	38.6
81.03439	4.9
81.07060	43.2
81.86534	1.5
83.04997	5.2
83.08643	10.1
85.06556	2.5
91.05489	36.1
91.06017	2.5
93.07049	40.3
95.04974	6.9
95.08613	31.8
97.06506	6.6
97.10199	4.6
105.07037	35.2
107.04990	3.8
107.08598	19.9
109.06532	2.8
109.10154	13.4
111.08165	2.3
115.05510	2.2
117.07036	15.3
119.08591	29.9
121.06538	2.8
121.10162	15.7
123.08096	3.1
123.11731	3.2
125.09663	1.7
128.06273	5.5
129.07004	16.4
129.07765	1.4
130.07805	2.3
131.08577	30.6
131.09518	1.7
133.06558	1.6
133.10136	17.4
133.10918	1.4
135.08145	2.8
135.11723	10.1
137.09663	2.8
141.06996	8.6
142.07816	2.9
143.08562	27.7
143.09554	2.1
145.06528	2.1
145.10133	25.8
147.11676	13.5
149.13330	5.2
151.11174	2.5
153.07036	2.0
154.07846	4.0
155.08568	15.2
156.09398	2.0
157.10132	19.4
159.08064	3.5
159.11711	20.4
161.09705	2.2
161.13333	5.4
163.11269	1.5
167.08519	6.7
168.09406	2.1
169.10141	24.3
171.08151	2.8
171.11729	18.9
173.09639	2.7
173.13257	11.3
175.11229	2.5
175.14874	3.7
177.12692	1.6
179.08653	2.3
180.09474	2.0
181.10121	13.5
182.10912	2.4
183.11697	15.2
183.12981	1.4
184.12225	1.6
185.13272	11.6
187.14774	7.1
189.16423	2.9
193.10190	2.2
195.11722	13.4
197.13277	13.9
199.14931	6.0
201.16478	3.4
207.11797	3.3
209.13313	10.2
211.14790	7.1
213.12877	1.5
213.16414	6.8
217.15883	1.4
221.13434	5.0
223.14955	5.7
225.16525	4.7
233.13374	1.9
235.14931	3.1
235.17012	3.3
237.16469	2.6
239.18228	1.9
241.19652	4.8
255.20981	1.4
257.19183	2.6
259.20712	6.4
275.20303	1.9
279.16083	1.9
281.17706	4.0
285.22131	1.5
287.23880	3.0
307.19232	3.2
309.21112	2.3
311.23975	1.7
318.07373	1.4
321.22134	1.8
323.23743	2.7
325.25732	2.0
327.23193	2.2
333.24460	2.6
337.25467	2.5
339.23312	2.1
341.25058	2.5
342.59955	1.7
351.27014	2.3
355.26141	1.8
363.26987	2.3
377.28641	1.6
447.36533	2.9
457.34915	5.4
465.37363	12.0
475.35782	23.6
483.37958	1.7
493.36874	27.8
511.37912	16.6
529.38824	2.1
531.38818	2.8
539.40912	1.7
549.39496	7.1
555.40515	2.2
557.42206	5.6
567.40479	100.0
568.40875	4.3
573.16626	1.6
585.41730	47.3
586.42224	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	585.4149
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
50.08908	3.1
51.00505	3.2
53.03944	4.7
55.01880	4.7
55.05516	28.4
55.84982	2.5
56.34385	2.5
57.03428	7.8
57.07078	14.6
67.05180	4.4
67.05508	59.0
68.23508	3.1
69.07076	30.1
71.04997	3.0
71.08636	6.6
71.51913	3.2
77.10703	2.5
79.05495	42.7
81.07063	57.5
83.04986	6.0
83.08617	20.3
85.06540	2.8
89.06023	8.0
91.05487	50.0
93.07052	52.9
95.04955	10.6
95.08616	42.7
97.06536	6.8
97.10176	7.3
105.04549	3.8
105.06406	3.6
105.07047	48.5
106.07402	4.5
107.04967	6.7
107.08597	32.2
109.06525	5.1
109.10152	18.6
112.53204	2.7
115.05468	4.5
117.07033	19.1
119.08580	37.9
121.10130	17.1
123.08107	3.8
123.11692	5.9
125.09612	4.2
128.06236	4.1
129.07002	24.2
131.08583	37.3
133.08586	4.7
133.10152	20.8
135.08099	3.4
135.11720	13.2
137.09628	3.8
141.06981	10.3
142.07776	6.6
143.08565	28.4
145.10147	32.8
145.40918	2.8
147.08061	4.4
147.11694	22.4
149.09583	5.6
149.13303	3.4
154.07729	3.5
155.08542	20.7
156.09312	2.7
157.10144	24.3
159.11713	20.2
161.13246	10.2
165.07034	3.6
167.08565	8.7
169.10144	27.5
170.10876	3.3
171.11720	25.8
173.09627	3.7
173.13298	18.3
175.14853	3.4
177.16371	2.9
179.08504	3.3
181.10118	13.3
182.10936	3.6
183.11678	20.9
184.12117	3.6
185.13271	15.4
187.11192	2.8
187.14847	8.0
189.12813	2.8
193.10068	6.4
195.11761	13.4
197.13297	16.4
199.14822	6.5
207.11615	5.7
207.13808	3.0
209.13263	10.6
211.14789	6.8
213.16388	7.9
217.15944	3.2
221.13281	5.2
223.14813	5.4
227.17972	3.2
228.44214	3.0
235.16881	4.1
237.16422	5.3
239.18013	5.1
241.19485	4.8
249.16420	3.9
257.19125	4.4
259.20639	4.5
263.05258	2.8
273.18427	7.8
275.20050	10.2
281.17456	3.3
287.23730	4.5
300.28922	4.4
311.29459	6.1
312.29810	4.3
447.36609	3.7
465.37109	8.7
475.35843	24.2
493.36838	23.9
511.37875	18.9
529.38635	3.1
549.39111	9.4
557.41864	5.8
567.40479	100.0
568.40692	5.2
585.41400	64.3
585.55444	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	585.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01872	1.5
55.05511	1.9
55.32625	0.6
57.03429	0.9
65.03227	0.8
65.03939	7.8
67.05500	2.5
69.03442	0.8
69.07062	0.8
70.06591	1.2
70.59016	0.7
71.01342	1.0
79.05495	3.4
81.03417	2.6
81.07040	2.2
82.04208	1.2
83.05027	0.7
84.08144	1.2
91.05463	4.3
93.03402	4.2
93.07049	1.8
95.01353	1.3
95.04959	2.9
95.08631	1.5
97.06550	1.2
98.20792	1.6
103.05482	0.7
105.07018	2.7
107.04944	3.2
107.08593	1.6
108.02094	1.0
109.02888	2.3
110.03682	6.6
111.04449	6.5
114.05524	0.7
117.07030	1.5
121.02853	5.2
121.06521	2.6
121.10126	0.8
123.04397	1.5
123.08090	0.8
125.06004	12.1
125.09578	0.8
131.04924	1.4
131.08498	1.4
133.02873	1.2
133.06453	0.9
133.10210	0.7
135.04437	1.3
137.05940	1.9
139.03888	1.1
145.06438	1.8
147.04353	1.1
147.08113	1.0
149.02328	2.2
149.05991	0.9
151.03920	21.7
151.05032	1.6
153.05470	19.9
157.06461	0.8
159.08072	1.7
161.05974	3.2
161.09599	2.0
163.03885	0.9
163.11284	0.8
165.05566	0.9
165.07034	1.4
167.07071	2.7
173.06012	1.0
175.07507	1.5
177.05444	1.0
181.04985	1.3
182.07301	0.9
184.05180	0.9
185.09663	0.8
187.07487	0.8
189.05440	1.5
189.09233	0.9
194.07243	0.8
195.06589	1.8
195.08119	2.3
197.05978	1.5
197.09605	1.4
203.08594	1.1
206.07437	1.0
207.10213	1.1
208.08900	0.8
209.05907	1.3
210.06746	2.0
211.07431	1.5
211.11346	0.7
213.09109	0.8
221.06046	1.0
221.09604	1.9
222.10252	0.8
223.07553	2.8
223.11023	1.1
224.08215	1.2
225.09103	3.6
227.07040	2.7
227.10651	1.2
237.09113	1.7
238.06223	2.5
238.09895	2.8
239.06976	2.5
239.10724	1.0
240.07854	7.6
241.08633	1.5
249.09018	1.7
249.11308	1.2
251.07103	3.0
251.10828	0.9
252.07892	1.5
253.08601	12.7
253.12341	5.8
254.09357	2.7
255.06505	2.5
255.10156	3.5
257.08118	2.0
263.06873	0.7
265.08621	1.9
266.09467	2.3
267.06775	0.9
267.10245	3.0
268.07367	1.9
269.08127	3.2
270.08893	2.0
271.13284	1.1
273.14978	1.4
273.82208	0.8
277.08701	1.5
279.06451	0.7
281.08072	3.0
281.11752	3.5
282.08813	1.7
283.06720	1.2
283.09665	5.7
283.12869	1.3
284.10535	2.0
285.11218	3.5
285.14618	1.2
294.08899	1.3
295.09641	2.2
297.11191	1.4
298.11984	2.6
299.12674	6.1
300.10129	0.9
301.14334	2.4
309.11206	5.6
310.12039	2.2
311.12833	0.9
313.10715	8.5
313.14337	3.9
325.90903	0.8
327.12299	28.9
328.12997	1.5
331.15472	2.9
339.12317	1.6
341.13785	3.5
341.17480	1.1
357.13278	3.3
359.14905	100.0
360.15396	2.0
371.14938	4.6
372.15732	1.4
567.29425	1.9
585.28906	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	584.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35198	1.9
53.03934	4.7
53.93924	2.0
55.01871	2.6
55.05511	12.0
57.07071	6.9
62.28365	1.8
64.54728	1.8
65.03951	5.2
67.05505	29.2
69.03421	6.1
69.07069	16.4
71.05006	2.9
71.08624	2.5
71.22540	2.8
75.66286	2.2
79.05077	2.5
79.05497	29.0
80.06281	10.0
81.07065	39.6
83.04971	5.8
83.08640	9.2
85.06541	5.6
85.10188	3.6
87.04469	3.9
89.06047	13.8
91.05483	50.7
92.06259	3.7
93.06482	3.9
93.07048	63.2
94.07849	3.1
95.04984	28.7
95.08617	25.5
97.06516	6.8
103.05467	3.6
105.07040	81.6
106.07821	4.1
107.04931	2.3
107.08595	42.3
108.05689	2.3
109.06505	9.2
109.10153	19.7
111.08086	4.1
113.09672	2.4
115.05460	4.8
116.06207	1.9
117.07014	24.1
119.08591	83.1
119.59737	2.0
120.09367	4.4
121.06528	4.6
121.10156	35.8
123.08086	41.9
123.11703	5.8
125.05938	1.9
125.09618	3.4
128.06219	11.9
129.07010	18.2
130.07782	9.9
131.08577	42.9
132.09338	8.4
133.06456	2.4
133.08635	9.9
133.10133	50.3
134.10948	4.6
135.08043	7.9
135.11703	13.5
137.09601	8.8
138.10431	10.0
141.06998	8.6
142.07768	18.7
143.08569	55.2
144.09386	12.5
145.06432	3.7
145.10133	100.0
146.10875	5.6
147.08028	11.1
147.11691	21.8
149.09619	8.4
149.13245	3.7
151.07524	2.9
151.11177	3.4
153.07042	3.2
154.07784	4.7
155.08560	15.4
155.10655	7.2
156.09344	20.2
157.10133	54.7
158.10922	19.5
159.08086	8.5
159.11702	47.3
160.08829	4.6
160.12457	4.3
161.09683	9.8
161.13277	6.4
162.10471	2.7
163.11185	8.6
163.14734	2.4
165.06993	4.8
165.09128	8.4
167.08549	7.7
168.09268	5.1
169.10118	26.8
170.10870	7.7
171.11719	41.5
172.12445	8.4
173.09607	4.9
173.13275	20.0
175.11188	8.8
175.14896	4.0
177.11195	2.9
179.08601	7.2
180.09280	3.1
181.10162	15.5
181.12227	7.0
182.10927	7.8
183.11703	26.4
184.12405	4.5
185.09688	3.8
185.13268	18.0
186.14067	5.5
187.11261	3.2
187.14830	9.3
189.12729	6.9
191.10521	2.5
191.14386	4.9
192.09410	2.2
193.10114	8.6
193.11960	1.8
194.10855	7.2
195.11745	22.1
195.91261	1.8
196.12444	7.1
197.13261	23.6
198.13919	3.0
199.11113	3.4
199.14851	15.9
200.15649	3.7
201.12718	3.0
203.14305	7.0
204.15059	2.6
205.10202	4.2
206.11043	2.5
207.11664	7.7
207.13641	3.6
208.12491	3.5
208.14603	2.7
209.13275	21.3
210.14105	2.5
211.14801	16.4
212.15535	3.2
213.12852	5.0
213.16405	9.4
215.14275	3.4
217.15921	3.5
219.11809	2.5
221.13248	10.5
221.15375	19.3
222.13972	3.4
223.11134	2.4
223.14838	13.3
224.15642	2.2
225.12743	2.7
225.16373	11.5
229.15935	3.6
233.13242	4.4
234.14056	3.1
234.16136	4.1
235.14857	8.8
236.15604	3.4
237.12590	2.1
237.16348	8.8
239.14175	2.7
241.19714	2.0
247.14757	4.5
247.16969	4.8
248.15712	3.4
249.16382	3.8
251.18040	3.5
253.15906	3.5
257.19101	3.0
259.14667	2.9
259.17026	2.8
261.16296	3.6
263.18011	3.2
265.19489	3.6
269.18976	2.2
271.17160	2.9
273.18549	3.1
274.19232	4.4
275.17856	3.6
277.19461	3.5
286.19269	2.4
287.20236	4.3
289.19595	2.5
293.19208	2.2
295.20792	2.3
299.20105	5.4
300.21042	3.0
311.29538	6.5
314.32620	2.2
319.20255	2.8
325.21667	4.8
337.21707	3.8
339.29013	3.3
352.23938	21.4
353.24515	2.8
354.25507	3.1
365.24860	5.8
366.25534	7.2
371.22794	5.7
400.60110	2.1
446.31821	9.4
491.35077	3.1
504.35934	29.4
512.95959	2.1
549.41235	3.6
566.41382	3.3
584.42352	17.4
584.56012	11.8
613.59717	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	584.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35198	1.9
53.03934	4.7
53.93924	2.0
55.01871	2.6
55.05511	12.0
57.07071	6.9
62.28365	1.8
64.54728	1.8
65.03951	5.2
67.05505	29.2
69.03421	6.1
69.07069	16.4
71.05006	2.9
71.08624	2.5
71.22540	2.8
75.66286	2.2
79.05077	2.5
79.05497	29.0
80.06281	10.0
81.07065	39.6
83.04971	5.8
83.08640	9.2
85.06541	5.6
85.10188	3.6
87.04469	3.9
89.06047	13.8
91.05483	50.7
92.06259	3.7
93.06482	3.9
93.07048	63.2
94.07849	3.1
95.04984	28.7
95.08617	25.5
97.06516	6.8
103.05467	3.6
105.07040	81.6
106.07821	4.1
107.04931	2.3
107.08595	42.3
108.05689	2.3
109.06505	9.2
109.10153	19.7
111.08086	4.1
113.09672	2.4
115.05460	4.8
116.06207	1.9
117.07014	24.1
119.08591	83.1
119.59737	2.0
120.09367	4.4
121.06528	4.6
121.10156	35.8
123.08086	41.9
123.11703	5.8
125.05938	1.9
125.09618	3.4
128.06219	11.9
129.07010	18.2
130.07782	9.9
131.08577	42.9
132.09338	8.4
133.06456	2.4
133.08635	9.9
133.10133	50.3
134.10948	4.6
135.08043	7.9
135.11703	13.5
137.09601	8.8
138.10431	10.0
141.06998	8.6
142.07768	18.7
143.08569	55.2
144.09386	12.5
145.06432	3.7
145.10133	100.0
146.10875	5.6
147.08028	11.1
147.11691	21.8
149.09619	8.4
149.13245	3.7
151.07524	2.9
151.11177	3.4
153.07042	3.2
154.07784	4.7
155.08560	15.4
155.10655	7.2
156.09344	20.2
157.10133	54.7
158.10922	19.5
159.08086	8.5
159.11702	47.3
160.08829	4.6
160.12457	4.3
161.09683	9.8
161.13277	6.4
162.10471	2.7
163.11185	8.6
163.14734	2.4
165.06993	4.8
165.09128	8.4
167.08549	7.7
168.09268	5.1
169.10118	26.8
170.10870	7.7
171.11719	41.5
172.12445	8.4
173.09607	4.9
173.13275	20.0
175.11188	8.8
175.14896	4.0
177.11195	2.9
179.08601	7.2
180.09280	3.1
181.10162	15.5
181.12227	7.0
182.10927	7.8
183.11703	26.4
184.12405	4.5
185.09688	3.8
185.13268	18.0
186.14067	5.5
187.11261	3.2
187.14830	9.3
189.12729	6.9
191.10521	2.5
191.14386	4.9
192.09410	2.2
193.10114	8.6
193.11960	1.8
194.10855	7.2
195.11745	22.1
195.91261	1.8
196.12444	7.1
197.13261	23.6
198.13919	3.0
199.11113	3.4
199.14851	15.9
200.15649	3.7
201.12718	3.0
203.14305	7.0
204.15059	2.6
205.10202	4.2
206.11043	2.5
207.11664	7.7
207.13641	3.6
208.12491	3.5
208.14603	2.7
209.13275	21.3
210.14105	2.5
211.14801	16.4
212.15535	3.2
213.12852	5.0
213.16405	9.4
215.14275	3.4
217.15921	3.5
219.11809	2.5
221.13248	10.5
221.15375	19.3
222.13972	3.4
223.11134	2.4
223.14838	13.3
224.15642	2.2
225.12743	2.7
225.16373	11.5
229.15935	3.6
233.13242	4.4
234.14056	3.1
234.16136	4.1
235.14857	8.8
236.15604	3.4
237.12590	2.1
237.16348	8.8
239.14175	2.7
241.19714	2.0
247.14757	4.5
247.16969	4.8
248.15712	3.4
249.16382	3.8
251.18040	3.5
253.15906	3.5
257.19101	3.0
259.14667	2.9
259.17026	2.8
261.16296	3.6
263.18011	3.2
265.19489	3.6
269.18976	2.2
271.17160	2.9
273.18549	3.1
274.19232	4.4
275.17856	3.6
277.19461	3.5
286.19269	2.4
287.20236	4.3
289.19595	2.5
293.19208	2.2
295.20792	2.3
299.20105	5.4
300.21042	3.0
311.29538	6.5
314.32620	2.2
319.20255	2.8
325.21667	4.8
337.21707	3.8
339.29013	3.3
352.23938	21.4
353.24515	2.8
354.25507	3.1
365.24860	5.8
366.25534	7.2
371.22794	5.7
400.60110	2.1
446.31821	9.4
491.35077	3.1
504.35934	29.4
512.95959	2.1
549.41235	3.6
566.41382	3.3
584.42352	17.4
584.56012	11.8
613.59717	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.05500	6.7
57.07064	7.5
59.04987	2.3
67.05502	12.1
68.50149	1.9
69.03419	6.2
69.07055	5.7
77.03922	1.8
79.05495	14.4
80.06254	6.8
81.07053	23.1
83.04958	2.3
83.08620	2.7
85.06548	2.5
89.06011	7.9
91.05482	35.9
93.06488	2.8
93.07051	38.8
94.07837	2.3
95.04974	18.3
95.08617	13.3
97.06535	4.1
105.07036	56.6
106.07789	5.3
106.52903	1.8
107.08598	23.2
109.06545	9.1
109.10151	7.1
115.05450	4.6
117.07006	23.5
119.04976	2.3
119.08587	53.2
120.09364	3.5
121.06502	4.9
121.10153	18.1
122.07273	2.6
123.08085	21.5
125.05994	4.9
128.06259	8.6
129.07027	14.9
130.07745	5.8
131.08572	35.8
132.09361	4.9
133.06462	2.9
133.08609	2.7
133.10143	23.4
134.10918	1.9
135.08064	15.7
135.11691	7.0
137.09619	12.2
138.10347	5.2
139.11118	2.0
141.06989	5.2
142.07797	12.9
143.08566	35.9
144.09375	9.9
145.10130	74.9
146.10869	2.3
147.08047	17.1
147.11707	7.8
148.08838	2.2
149.09615	5.1
151.07529	6.8
151.11217	3.7
153.07050	2.3
154.07697	2.0
155.08595	8.9
156.09395	10.8
157.10132	48.9
158.10918	10.1
159.08020	4.7
159.11687	30.1
161.09598	12.2
161.13252	5.5
163.11189	11.8
165.06958	4.5
165.09129	37.7
167.08537	3.7
168.09340	3.9
169.10136	13.1
170.10902	7.0
171.11693	23.4
172.12453	5.6
173.09599	6.5
173.13271	12.4
174.14143	2.2
175.11182	17.0
175.14774	1.7
179.08636	3.9
179.10588	2.2
180.09277	4.0
180.11440	4.6
181.10158	9.8
181.12212	11.5
182.10925	5.6
183.11684	14.4
185.09727	2.8
185.13252	9.5
186.14098	2.4
187.11133	4.1
187.14871	4.2
189.09323	1.9
189.12733	6.6
190.13492	6.4
191.10709	2.5
191.14355	3.3
193.10141	5.6
193.12238	10.1
194.10948	4.3
195.11740	13.4
195.13353	2.5
196.12445	5.7
197.09647	2.0
197.13222	10.7
199.11201	4.2
201.12703	3.6
203.14301	14.6
205.12282	2.5
206.10930	2.6
207.11646	6.3
207.13786	7.1
208.12605	3.4
208.14622	8.9
209.13240	7.5
211.11256	3.0
211.14799	8.3
213.12727	5.3
215.14380	2.0
219.13847	5.0
221.13293	4.3
221.15359	52.2
223.11298	2.5
223.14845	6.5
225.16466	5.4
227.14354	3.2
227.18094	2.2
234.14030	2.0
234.16125	9.0
235.14737	3.5
237.12718	3.8
237.16389	5.3
238.17149	3.1
247.14673	2.8
247.16936	8.3
249.16275	2.8
251.14511	2.1
251.17805	2.4
259.16943	7.2
260.17828	3.3
266.20297	5.4
269.19119	2.6
271.16962	3.3
273.18512	3.1
274.19360	12.8
285.18387	2.8
287.20135	13.2
299.20053	6.5
300.20810	12.0
313.21350	2.9
325.21628	9.0
337.21588	8.1
351.22870	1.8
352.23984	69.3
353.24591	6.8
365.24817	17.1
366.25531	13.5
391.26028	3.1
404.30603	3.4
409.92276	2.0
412.29590	2.5
424.21555	1.8
438.31274	4.0
446.31689	4.2
491.34961	9.0
492.35538	2.5
504.36017	100.0
584.42181	10.7
584.55902	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	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
53.66962	2.0
55.01883	2.3
55.05499	8.3
57.07071	9.0
58.78787	2.2
59.04980	3.1
67.05518	11.4
69.03426	5.4
69.07061	6.9
69.22115	20.8
79.05506	15.8
80.06287	4.9
81.07059	24.6
83.04976	4.3
83.08621	2.2
85.06548	3.8
89.06059	3.7
91.05492	32.5
93.07048	34.8
95.04983	18.3
95.08627	14.0
97.06548	3.8
103.05487	3.4
105.07037	61.4
106.07821	3.5
107.08592	21.5
109.06549	8.1
109.10182	8.7
116.06296	2.8
116.93822	2.2
117.07023	20.9
119.08584	60.9
120.09357	3.5
121.06480	3.7
121.10159	20.1
123.08083	25.1
123.11717	3.6
125.06013	4.1
128.06247	9.2
129.07024	13.6
130.07806	7.8
131.07610	2.5
131.08583	36.6
132.09322	6.5
133.06447	3.5
133.10156	30.7
135.08067	13.6
135.11667	4.6
137.09615	11.4
138.10403	5.0
141.06958	5.0
142.07784	11.7
143.08585	37.7
144.09351	11.3
145.10138	75.5
146.10930	4.1
147.08080	17.3
147.11691	8.9
148.08824	3.0
149.09619	7.6
151.07578	6.5
151.11179	3.2
155.08565	10.5
156.09381	13.4
157.10146	46.1
158.10928	11.5
159.08063	5.6
159.11707	29.7
161.09615	8.4
161.13307	4.4
163.11235	11.5
165.09114	33.1
167.08595	6.1
168.09291	4.5
169.10182	12.6
170.10942	5.6
171.11716	22.5
172.12401	5.0
173.09637	3.9
173.13243	10.7
175.11188	13.1
175.14879	3.2
179.08600	5.4
179.10718	2.5
181.10118	10.0
181.12201	8.2
182.10924	3.4
183.11717	15.1
184.12500	3.0
185.09544	2.8
185.13280	9.6
187.11253	3.4
187.14890	3.7
188.11879	2.3
189.12733	7.2
190.13518	9.6
191.10541	2.6
191.14302	5.9
191.73061	2.3
192.09462	2.3
193.10182	5.8
193.12257	9.8
194.11032	4.7
195.11725	12.1
196.12445	4.9
197.13290	10.1
199.11197	4.7
199.14835	3.0
203.14320	18.5
207.11688	9.0
207.13837	11.4
208.12656	2.8
208.14598	8.1
209.13312	9.0
211.14825	7.7
213.12756	2.7
219.13725	4.4
220.12427	2.5
221.13316	7.2
221.15352	55.8
223.14853	6.4
225.12613	3.9
225.16377	2.8
233.13179	3.0
234.16083	5.7
235.14832	3.4
237.12740	3.3
237.16339	2.7
247.16991	9.1
253.15862	3.5
259.16916	8.5
264.15106	2.5
266.20340	6.6
274.19287	17.7
281.19031	3.0
285.18564	2.6
286.19373	3.3
287.20126	7.4
299.20068	7.4
300.20755	11.0
312.20859	2.9
325.21762	8.9
337.21527	10.3
351.22678	3.1
352.23981	70.6
353.24667	4.4
365.24747	19.1
366.25446	15.0
367.26428	2.3
404.30731	4.7
404.76459	2.4
425.30710	3.1
438.31323	5.4
446.31879	4.8
447.33041	2.6
471.11172	2.0
491.35272	11.8
492.35422	5.9
504.36023	100.0
505.36401	4.4
566.41071	2.5
584.42053	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	584.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01875	0.7
55.05511	1.0
57.03425	2.2
58.99586	2.3
65.03930	0.7
67.05499	1.4
68.90293	0.5
69.03426	0.9
70.06584	0.8
70.16470	1.4
72.46613	0.5
73.01117	0.6
76.04037	0.5
79.05494	2.1
81.07063	7.6
83.17175	0.5
83.32969	0.4
84.04500	1.0
84.08138	0.8
85.02904	1.0
85.06484	0.6
86.09747	0.5
86.99055	1.7
87.02694	1.4
88.02236	0.5
91.05492	1.0
92.07661	0.4
93.07039	1.2
95.08617	0.9
97.02897	100.0
98.20823	0.6
99.08080	2.6
105.07018	0.7
107.08565	0.6
108.08137	4.3
112.04016	0.8
116.01685	9.9
117.48728	0.4
121.02849	0.5
121.06509	1.0
122.09701	0.8
123.04433	0.7
126.03783	0.6
130.05016	1.8
131.04996	0.5
132.86250	0.5
135.04475	1.2
135.60292	0.5
142.03229	1.2
142.04993	0.6
144.01155	4.4
150.12828	1.1
151.03917	24.6
151.04953	1.4
152.14375	3.4
162.02209	10.6
162.03471	0.9
163.03912	2.9
167.06998	0.6
173.06117	0.6
177.60030	0.5
178.15970	1.6
181.04976	9.3
188.05591	0.9
189.05341	0.5
191.07047	0.9
196.16998	2.0
216.06935	1.2
219.06563	1.7
245.06050	1.6
247.05983	19.7
264.15955	3.9
265.07086	15.1
265.09875	0.9
266.17670	0.8
283.08136	4.6
291.06500	4.1
308.18692	2.3
345.14804	1.3
389.13837	4.8
414.35062	0.5
496.28528	1.1
540.27203	11.0
584.29932	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	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
55.01875	3.2
55.05508	18.7
57.07077	7.9
57.81332	2.3
59.04981	4.6
62.85658	2.8
65.03946	5.9
67.05514	37.8
69.03432	11.1
69.06786	2.4
69.07081	25.2
71.04990	3.5
79.05499	32.1
81.07065	39.3
83.04996	11.5
83.08632	10.3
85.06548	5.5
90.02264	2.3
91.05489	51.1
93.07047	67.5
95.04977	11.5
95.08621	38.8
97.06541	9.8
97.10182	5.1
103.05473	5.3
105.04531	4.0
105.07039	77.2
107.04996	3.9
107.08606	52.0
109.06531	9.0
109.10170	22.2
111.08099	5.1
115.05474	6.1
116.06230	3.0
117.07001	18.7
119.08589	100.0
121.06520	6.7
121.10140	59.0
123.08071	13.7
123.11726	6.1
125.05999	3.0
125.09632	6.9
128.06189	14.7
129.06995	19.3
130.07794	8.0
131.08582	40.0
133.06477	4.9
133.10127	47.3
135.08081	11.6
135.11716	18.1
137.09633	9.4
139.11206	5.2
139.49173	2.5
141.07001	10.8
142.07794	26.5
143.08562	39.3
144.09377	9.8
144.57925	2.4
145.10130	57.8
147.08078	6.5
147.11691	20.5
149.09689	13.0
149.13249	3.5
151.07567	8.7
151.11142	4.6
153.06973	4.9
154.07845	2.7
155.08583	18.4
156.09384	19.6
157.10141	54.0
158.11020	4.8
159.08109	6.8
159.11710	31.4
161.09665	8.4
161.13295	11.0
163.11232	8.0
165.07033	7.4
165.09085	12.6
166.07828	3.7
167.08598	11.2
167.10687	42.4
168.09389	8.4
169.10132	28.5
170.10957	8.9
171.11690	32.7
173.09669	8.0
173.13274	33.0
175.11208	7.2
175.14804	13.1
179.07263	2.9
179.08530	13.9
180.09367	6.7
181.10164	15.4
181.12361	4.6
182.10966	10.2
183.11685	26.8
184.12514	6.5
185.13271	16.9
187.11223	2.7
187.14909	7.9
189.12718	4.1
191.08644	3.1
191.14378	7.1
192.09396	6.1
193.10153	14.9
194.10916	11.5
195.11736	20.3
196.12529	4.5
197.13301	22.1
198.13947	2.6
199.11183	3.9
199.14836	21.8
201.16393	4.4
203.14412	6.8
205.10178	5.6
205.15887	3.3
206.10999	7.4
207.11774	17.8
207.13695	4.8
208.12488	9.3
209.13284	26.9
209.15176	4.2
209.60890	2.4
211.14954	12.3
213.12834	3.6
213.16481	4.6
215.14375	7.7
217.10179	4.5
217.15843	14.4
218.11060	5.1
219.11763	8.2
220.12387	5.3
221.13338	14.3
221.15434	29.6
222.13979	3.2
223.11382	2.4
223.14856	15.7
225.16438	5.6
227.14288	2.9
229.10182	3.2
231.11725	6.5
232.12506	3.9
233.13286	10.6
233.15431	16.8
234.14069	3.0
235.14723	12.0
236.15627	3.1
237.16386	7.4
239.17967	4.9
243.11720	4.9
245.13336	8.9
246.14072	3.3
247.14915	9.0
248.15553	3.6
249.16487	11.1
251.18031	5.1
253.19574	2.7
255.17578	2.6
257.13318	4.1
257.19098	3.7
258.14160	2.9
259.14624	5.5
261.16577	6.5
263.18097	8.5
265.19547	7.4
267.17133	2.7
269.19086	4.4
273.16272	4.3
275.17862	5.4
277.19440	3.7
283.20551	12.2
285.18936	3.4
289.19485	3.8
293.19009	2.8
295.20511	3.4
297.22003	3.7
301.19531	3.3
307.20483	4.1
317.22604	4.0
331.24234	3.7
347.24179	3.3
349.25592	4.8
351.22824	2.5
359.23914	2.7
361.25500	4.0
375.26956	3.7
491.35294	4.5
565.40405	13.0
583.41498	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.6
53.03944	4.6
55.05514	15.0
57.07082	10.1
59.04987	2.6
65.03943	1.8
67.05510	20.3
69.03432	6.5
69.07069	18.6
69.92162	7.2
73.96064	1.4
77.03936	2.3
79.05496	29.4
81.07064	29.4
83.04992	5.8
83.08616	9.2
85.06551	5.6
91.05481	43.2
93.07050	51.1
95.04959	8.7
95.08615	33.5
97.06547	7.4
98.21383	2.3
103.05475	5.8
105.04504	2.3
105.07034	70.7
107.08605	47.8
109.06538	8.9
109.10155	23.3
111.08095	2.9
115.05473	5.6
116.06219	3.0
117.07025	19.2
119.08589	81.7
121.06535	5.9
121.10149	52.7
121.30787	1.6
123.08060	14.5
123.11720	6.5
125.06004	2.9
125.09630	4.7
128.06207	11.6
129.07011	13.1
130.07797	7.7
131.08575	31.1
133.06491	3.5
133.07497	1.4
133.10136	42.0
135.08047	7.9
135.11694	17.1
137.09651	10.3
141.07024	7.0
142.07791	22.1
143.08568	37.8
144.09378	7.5
145.06526	1.7
145.10133	50.6
147.08063	9.6
147.11694	15.5
149.09621	10.3
149.13274	5.6
151.07541	15.7
151.11203	2.2
153.07007	5.7
154.07759	2.2
155.08553	15.6
155.10628	2.4
156.09357	17.2
157.10138	52.7
158.10925	8.3
159.08089	5.6
159.11685	25.1
161.09727	5.0
161.13287	7.1
163.11212	8.6
165.07098	3.2
165.09117	19.4
166.07803	2.5
167.08572	12.1
167.10677	31.9
168.09381	9.3
169.10139	26.4
170.10934	8.3
171.11722	31.7
172.12442	2.1
173.09654	3.2
173.13261	20.3
175.11168	4.3
175.14809	10.0
175.91707	2.0
177.09065	2.0
177.12927	1.6
178.07747	2.8
179.08554	15.3
180.09309	5.6
181.10132	19.9
181.12262	4.2
182.10928	6.4
183.11714	28.7
184.12538	7.1
185.09720	1.9
185.13246	16.9
187.11218	4.1
187.14896	6.2
189.12758	5.5
191.08553	2.1
191.14366	6.8
192.09361	5.4
193.10098	14.9
194.10867	13.3
195.11719	24.8
196.12550	5.1
197.13278	24.7
198.13838	2.0
199.11148	3.1
199.14841	14.2
200.91364	1.6
201.12770	2.0
201.16440	2.3
203.08707	2.6
203.14308	12.0
205.10164	3.6
205.15889	1.7
206.10942	9.4
207.11732	20.6
207.13835	5.2
208.12454	8.4
209.13289	25.9
209.15179	1.6
210.14066	4.5
211.11125	3.0
211.14830	12.4
213.12772	4.2
213.16396	3.2
215.14342	4.4
217.10216	3.4
217.15927	6.7
218.11015	2.7
219.11737	6.4
220.12563	8.8
221.13277	19.7
221.15425	33.7
222.13994	5.3
223.14818	14.6
224.15381	2.5
225.12886	2.3
225.16403	6.2
227.14279	4.1
229.10181	2.5
229.16032	2.1
231.11539	7.4
231.17445	3.1
232.12505	4.4
233.13263	10.8
233.15453	12.3
234.14049	4.1
235.14847	13.1
236.15587	2.3
237.16422	6.9
239.18045	3.8
244.12410	3.1
245.13324	8.4
246.14090	5.6
247.14870	11.3
248.15700	2.7
249.16412	11.0
250.17155	2.5
251.18042	9.3
253.19540	3.3
255.17429	1.9
257.13293	2.6
257.19086	5.5
258.14099	2.8
259.14914	6.3
260.15707	2.7
261.16373	9.8
262.17514	1.8
263.18048	5.0
265.15717	1.5
265.19473	8.3
267.20813	1.8
269.19131	7.0
271.14844	3.3
271.20746	1.9
273.16422	5.9
275.17905	11.8
277.19479	3.9
279.21011	2.6
281.18958	3.6
283.14722	2.5
283.20612	12.7
285.16110	2.1
287.20261	3.6
289.19519	3.5
291.21109	3.6
293.19241	2.2
295.20563	3.8
297.22287	1.9
301.19415	2.9
303.21066	1.9
307.20630	2.1
309.22220	3.3
315.21188	2.8
323.23880	2.7
329.22687	3.6
331.24323	3.7
335.23669	3.0
343.24588	2.4
347.23907	2.7
349.25372	5.5
357.25919	1.8
361.25406	2.2
375.26950	3.7
401.28784	2.1
403.30063	6.4
425.28287	2.3
427.29803	1.7
484.03549	1.7
491.35043	2.9
547.39423	4.8
565.40509	21.2
583.41461	100.0
584.41327	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25000	1.2
53.03933	3.8
53.51707	1.3
55.01876	2.2
55.05509	14.8
57.07080	8.9
59.04991	3.6
65.03931	4.2
67.05506	25.1
67.14624	1.7
69.03436	7.5
69.07065	17.1
76.76984	1.4
77.03927	2.1
79.05498	24.0
81.03432	1.8
81.07055	34.0
83.04990	6.8
83.08604	5.5
85.06553	7.1
91.04904	2.1
91.05485	48.0
93.07047	49.2
95.04956	8.8
95.08612	37.1
97.06533	4.8
97.10204	2.2
103.05463	3.7
105.04518	1.9
105.07036	72.4
107.08599	39.5
109.06523	6.9
109.10159	19.4
111.08089	3.1
114.67539	1.5
115.05471	6.7
117.07021	19.2
119.04910	1.7
119.08582	76.5
121.06526	5.9
121.10158	43.6
123.08074	15.9
123.11730	5.5
124.79612	1.6
125.06009	3.0
125.09672	2.5
128.06219	10.4
129.07031	16.5
130.07784	5.6
131.08571	30.1
133.06566	1.9
133.10138	34.4
135.08049	10.9
135.11702	13.8
137.09618	11.4
141.07007	8.9
142.07777	20.6
143.08566	34.0
144.09367	8.3
145.10130	47.7
147.08051	20.8
147.11679	12.6
149.09622	9.5
151.07541	19.7
153.06964	4.3
153.09137	1.7
154.07785	6.2
155.08577	16.4
156.09378	19.4
157.10138	50.4
158.10953	7.3
159.08052	4.3
159.11703	22.6
161.09671	6.0
161.13260	6.3
163.11227	7.1
165.07005	6.9
165.09117	34.3
166.07797	3.3
167.08572	12.0
167.10652	12.9
168.09357	6.3
169.10133	28.7
170.10970	6.7
171.08170	1.6
171.11696	28.8
172.12488	2.0
173.09671	4.9
173.13251	20.3
175.11183	3.4
175.14890	5.5
177.09100	2.2
177.12881	1.8
178.07851	1.6
179.08566	14.1
180.09335	5.4
181.10146	15.2
181.12219	4.3
182.10895	9.2
183.11705	27.2
184.12482	5.3
185.13277	20.6
187.11217	3.0
187.14870	6.9
189.12788	5.8
191.08626	2.7
191.14319	6.9
192.09361	5.2
193.10136	15.8
194.10934	13.8
195.11685	21.9
195.13492	2.2
196.12497	5.4
197.13252	19.1
197.14812	2.0
199.11166	2.9
199.14816	13.5
201.16391	2.2
203.08609	2.6
203.14314	16.3
205.10164	6.6
206.10918	8.4
207.11745	19.7
207.13850	7.6
208.12408	8.8
209.13249	22.6
209.15198	2.9
210.14030	4.1
211.11333	2.1
211.14845	9.2
213.12796	2.2
213.16301	2.4
215.14372	4.2
217.10132	3.7
217.12234	1.8
217.15919	6.4
218.11043	3.2
219.11674	7.3
220.12537	5.5
221.13286	17.2
221.15431	69.1
222.13988	3.2
223.14790	15.7
224.15605	2.7
225.12877	2.2
225.16466	3.3
227.14445	2.2
229.15967	2.2
229.51453	2.0
230.10922	2.5
231.11633	9.8
231.17484	5.2
232.12532	5.8
233.13286	9.8
233.15306	3.0
234.14111	5.3
235.14848	8.6
237.16313	7.5
239.17984	4.2
241.15903	2.2
243.11794	3.6
244.12622	2.7
245.13344	6.8
246.14111	3.6
247.14853	9.7
247.16989	2.3
248.15660	3.5
249.16460	10.8
251.17892	5.1
253.19684	2.7
257.13321	3.8
257.19055	5.3
259.14734	7.4
260.15680	4.4
261.16391	8.2
262.17200	3.1
263.17990	6.0
265.19543	5.9
269.19043	4.2
271.14935	3.7
271.20670	2.4
273.16498	4.3
274.17267	2.8
275.18054	6.1
277.19562	5.7
279.21140	3.1
281.19244	2.7
283.20493	11.4
285.16235	1.7
287.17746	2.4
288.18945	2.0
289.19516	5.2
293.19067	2.3
295.20624	4.2
297.22244	5.2
299.20407	3.2
300.20953	2.8
301.19257	3.5
307.20706	2.0
327.21310	1.9
329.22980	2.0
331.24033	3.5
333.22256	3.3
335.24106	2.4
347.23611	2.1
349.25311	7.4
357.25720	2.7
365.24811	3.3
375.26889	6.4
403.30069	9.3
437.30554	1.5
473.34830	1.6
491.34927	3.4
503.35361	4.6
509.34503	3.3
547.39294	3.6
565.40472	27.0
583.41467	100.0
584.41553	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	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87829	1.6
53.03948	6.8
55.05516	20.6
55.06837	1.7
57.07082	15.2
59.04998	6.9
65.03937	4.1
67.05514	28.2
69.03426	9.5
69.07076	19.6
71.04979	1.9
71.08611	1.9
77.03941	2.5
79.05505	29.3
81.07065	42.9
83.04985	6.8
83.08617	11.2
85.06542	5.4
86.93809	1.6
91.05490	50.8
93.07052	61.9
95.04978	11.8
95.06538	1.6
95.08619	45.1
97.06549	5.6
97.10177	4.3
103.05484	4.5
104.06256	2.1
104.38775	1.6
105.04582	2.5
105.07041	83.9
107.08605	53.0
109.06522	8.9
109.10165	29.4
111.08127	2.4
112.61796	1.7
115.05460	8.6
116.06237	4.1
117.07039	20.5
117.46542	1.4
119.06133	1.9
119.08595	91.1
121.06536	5.1
121.10153	50.8
122.07281	1.8
123.08073	20.9
123.11710	8.8
125.06004	4.0
125.09651	1.6
128.06221	15.0
129.07028	16.4
130.07803	9.3
131.08588	42.3
133.06514	5.0
133.07555	1.7
133.10147	44.3
135.08078	15.0
135.10757	2.3
135.11691	13.7
137.09628	13.6
139.11203	3.3
141.06995	12.8
142.07787	28.6
143.08572	49.6
144.09344	9.6
145.06549	2.9
145.10136	59.1
147.08073	21.7
147.11713	19.1
149.09637	7.6
149.13257	5.9
151.07549	18.0
151.11143	2.4
153.07001	6.5
154.07829	2.5
155.08572	21.2
156.09373	21.8
157.10146	57.5
158.10898	10.9
159.08080	4.6
159.11716	29.8
161.09647	7.6
161.13329	8.0
163.11188	9.2
165.07060	8.1
165.09123	42.6
166.07811	4.5
167.08617	14.4
167.10699	12.2
168.09406	10.9
169.10139	36.0
170.10892	11.5
171.08023	1.9
171.11693	36.2
172.12479	2.7
173.09709	5.7
173.13278	25.6
175.11165	4.4
175.14867	9.2
178.07838	3.7
179.08569	18.3
180.09410	7.6
181.10175	19.9
181.12259	6.3
182.10988	10.7
183.11700	34.3
184.12515	6.2
185.09625	3.2
185.13286	23.4
187.11186	4.5
187.14877	6.6
189.12784	7.0
191.08640	1.9
191.14334	7.6
192.09425	7.2
192.11346	1.7
193.10146	20.1
194.10927	12.8
195.11719	25.6
196.12425	8.0
197.13257	24.7
199.11314	1.7
199.14868	17.5
201.12904	2.6
201.16486	4.2
203.08499	3.0
203.14319	20.5
205.10216	5.3
206.10904	8.5
207.11737	23.3
207.13831	6.4
208.12488	8.0
209.13283	29.4
210.14024	4.0
211.14859	12.3
213.16486	3.6
215.08737	1.8
215.14381	3.7
217.10144	5.2
217.15869	11.7
218.10895	4.0
219.11723	10.1
220.12561	5.5
221.13298	18.9
221.15430	72.4
222.14008	4.1
223.14832	17.1
225.12892	2.4
225.16397	7.7
227.14359	4.0
229.10434	1.8
230.10919	2.4
231.11768	8.1
231.13770	2.0
231.17371	3.4
232.12505	6.0
233.13292	14.1
233.15457	4.6
234.14134	5.2
235.14859	13.8
236.15617	3.0
237.16354	8.6
239.18060	4.7
243.11757	3.7
244.12520	3.9
245.13300	9.5
246.14101	4.0
247.14861	15.5
247.17087	4.5
248.15578	4.1
249.16425	10.0
250.17186	2.3
251.17981	6.8
253.19728	3.4
255.17580	2.1
257.13272	2.6
257.19046	8.1
258.13977	2.0
259.14874	7.0
259.20767	1.8
260.15674	5.0
261.16400	9.6
262.17194	3.3
263.17929	7.9
265.16907	1.8
265.19324	9.3
267.17581	2.1
269.13400	2.3
269.19052	4.9
271.20648	3.4
272.15564	2.3
273.16373	6.4
274.17200	2.6
275.17920	13.0
277.19653	5.1
279.20810	2.4
281.19086	3.8
283.20578	15.3
286.17072	2.2
287.17474	2.3
287.20306	3.6
289.19559	4.4
291.21182	3.2
293.19269	1.8
295.20520	4.2
297.22134	4.5
300.21136	2.8
301.19400	2.6
303.21112	3.0
307.20712	2.9
309.22208	3.1
315.21146	1.9
327.21011	2.1
329.22739	2.7
331.24261	7.2
333.22360	3.5
349.25385	6.3
357.25797	4.0
361.25226	2.5
365.24832	3.2
375.26929	7.3
403.30099	9.3
491.34961	6.0
503.35440	5.8
509.34207	3.4
547.39490	3.8
565.40479	26.9
583.41461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.05510	7.8
55.21105	2.1
57.07071	5.8
59.04998	4.2
67.05508	14.1
68.37532	1.9
69.03435	8.2
69.07076	7.1
77.99357	1.9
79.05065	2.8
79.05493	20.3
80.85294	1.8
81.07059	18.5
83.04974	4.0
83.08649	4.2
83.42787	1.6
85.06543	4.4
85.20755	1.8
89.92275	1.8
91.05487	21.3
93.07046	32.4
95.04975	3.7
95.08617	29.7
105.07037	43.4
105.07697	3.9
107.04996	3.0
107.08578	19.4
109.10176	13.7
111.08121	2.2
115.05423	2.5
117.07030	9.5
119.08586	32.7
121.06520	3.7
121.10148	24.1
123.08070	19.9
123.11715	3.4
125.05968	2.4
128.06232	4.7
129.07018	7.3
131.08578	17.3
133.06485	3.0
133.10135	14.3
135.08087	9.0
135.11725	6.8
137.08716	2.6
137.09608	10.9
141.07039	3.5
142.07817	11.2
143.08571	15.7
144.09366	5.6
145.10153	19.1
147.08061	20.6
147.11694	7.9
149.09653	5.1
151.07562	23.3
155.08562	5.4
156.09331	7.5
157.10130	30.6
158.10963	3.3
159.08134	2.6
159.11693	17.5
161.09657	3.0
161.13258	5.4
163.11234	7.3
165.09105	39.5
167.08633	5.0
168.09430	3.2
169.10118	12.8
170.10965	6.6
171.11697	17.6
173.09605	2.4
173.13316	9.2
175.11314	2.2
175.14854	3.0
177.09198	2.2
179.08601	6.8
180.09315	2.3
181.10225	6.8
183.11719	11.4
184.12459	2.4
185.13248	14.2
187.14864	3.6
189.12802	5.7
191.14394	3.1
193.10100	5.9
194.10986	6.9
195.11678	11.7
196.12527	3.5
197.13184	9.3
199.11119	3.0
199.14906	4.7
203.14317	17.9
205.10165	3.3
206.10942	3.3
207.11780	11.3
207.13884	6.8
208.12526	3.4
209.13239	16.8
211.14899	6.2
213.16479	4.1
219.11751	4.4
219.17401	2.8
220.12482	3.8
221.13318	9.6
221.15350	69.7
223.14876	9.3
225.16525	5.3
231.17560	4.3
233.13312	3.6
233.15479	3.3
234.14005	2.4
235.14865	5.1
237.16492	4.2
239.17969	3.0
247.14935	5.0
247.17172	3.0
249.16354	4.1
251.17986	3.6
253.19536	2.8
257.18924	2.2
259.14966	3.3
260.15378	2.4
261.16394	3.5
263.17966	2.6
269.19009	2.7
273.16281	2.1
275.18051	2.4
277.19525	2.4
279.21326	2.7
281.19147	2.8
283.20554	6.4
295.20688	4.1
297.22208	2.5
299.20297	2.9
347.23676	2.0
349.25342	2.8
352.23859	2.7
357.25751	3.6
365.24734	2.4
375.26855	6.5
403.29922	11.5
480.80975	2.2
491.35278	2.8
503.35355	8.1
509.34390	2.6
547.39172	2.6
565.40332	32.2
583.41553	100.0
584.41571	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	583.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.8
55.01857	5.4
55.05269	2.1
55.05515	28.9
55.96641	1.9
57.03448	9.4
59.05003	4.7
59.10428	1.7
61.60239	1.7
64.01556	2.1
65.03922	3.5
67.05512	99.7
69.03442	19.1
69.07072	12.2
71.04999	11.6
71.24664	2.5
79.05500	27.6
81.03426	100.0
81.07064	43.6
83.04987	22.3
83.08224	2.1
83.08627	24.3
85.02920	18.4
91.05489	35.4
93.07050	22.4
94.07365	2.4
95.04485	1.7
95.04989	23.3
95.08611	17.9
97.02910	13.9
97.06532	5.1
97.10172	16.4
99.04459	4.0
103.05478	2.1
105.07063	20.6
106.18446	2.2
107.04956	7.5
107.08608	19.0
109.02888	12.9
109.06503	7.2
109.10165	58.6
111.04446	13.9
111.08106	9.9
115.05501	2.3
117.07001	8.5
119.08588	18.8
121.06511	4.6
121.10164	11.6
123.04435	9.7
123.08063	2.8
123.11718	3.3
125.09642	11.7
127.03924	11.1
128.06215	1.8
129.06993	8.6
131.08578	9.8
133.06479	4.6
133.10138	10.9
135.08054	2.9
135.11627	4.0
137.09630	3.8
142.07736	2.9
143.08530	3.7
145.10085	7.9
147.04410	2.7
147.08032	3.2
147.11723	12.1
149.05954	2.6
149.09602	5.3
151.11174	2.0
152.71326	1.8
155.10645	3.9
157.10141	8.3
159.11717	2.6
163.11160	4.3
165.12686	4.4
169.10136	2.4
171.11633	3.7
173.11752	17.4
175.11172	12.5
189.11176	7.8
189.12753	3.2
191.10606	2.3
193.12265	26.6
209.11562	2.5
211.13310	45.7
213.12874	2.4
217.12302	2.3
227.12785	6.3
229.14354	15.2
235.13275	1.9
257.19104	2.1
267.15985	10.6
275.19955	2.9
277.14264	2.4
281.13913	2.2
299.14871	8.3
301.14340	4.7
309.16861	2.2
337.16718	2.4
355.17749	9.1
403.24432	2.5
421.25894	6.6
439.27179	12.0
505.27856	5.4
547.28534	4.1
565.29742	7.8
583.31000	64.3
583.39972	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	583.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04941	1.7
53.03947	7.2
54.49033	1.5
55.01878	7.3
55.05517	24.7
55.71198	1.6
57.03439	11.1
59.05006	4.4
62.34903	1.5
65.03951	5.1
67.05508	100.0
69.03438	21.5
69.07078	7.4
70.06611	2.0
71.05006	8.3
71.51287	2.7
72.28618	1.3
73.02922	2.0
74.26275	1.6
78.16727	1.7
79.05505	23.3
81.03423	87.8
81.07062	39.4
83.04986	20.4
83.08626	20.8
85.02917	19.4
85.06554	4.8
91.05487	27.5
93.07063	19.0
95.04970	22.5
95.08614	12.4
97.02904	15.0
97.06556	4.4
97.10188	11.3
99.04465	6.1
103.03985	1.7
105.07044	16.5
107.04964	7.6
107.08621	12.2
109.02893	15.8
109.06557	5.9
109.10166	62.7
111.04449	13.0
111.08080	10.6
117.07065	6.0
119.08594	16.9
121.06514	3.7
121.10172	7.4
123.04471	7.3
123.08147	3.9
125.06056	1.8
125.09650	9.6
127.03908	8.8
129.05490	2.3
129.07040	8.0
131.04941	2.5
131.08601	8.7
133.06548	2.7
133.10176	7.8
135.08086	4.1
135.11682	2.5
137.06004	2.7
137.09642	3.6
139.03932	3.7
142.07787	2.5
143.08621	2.6
145.10179	3.9
146.61017	1.6
147.04457	4.6
147.08093	2.7
147.11691	11.1
149.06097	2.3
149.09641	6.7
151.11200	2.1
155.10748	5.3
157.10106	11.6
161.06010	2.8
163.11241	4.1
165.12802	3.0
167.07109	2.5
173.11778	19.5
175.11179	7.8
181.12251	1.8
189.11256	4.8
189.12802	2.0
191.10747	3.2
192.61111	1.6
193.12268	28.8
203.10655	2.8
209.11823	2.5
211.13309	52.0
211.15276	3.1
227.12740	10.8
229.14336	18.9
235.13332	3.2
257.97369	1.8
259.13358	2.1
267.15918	8.0
273.14795	2.3
277.14374	1.9
283.15607	2.6
285.17288	2.6
291.16135	2.6
296.04120	1.7
299.14987	8.3
301.14377	4.0
309.16986	2.9
319.15479	2.5
329.21222	2.6
331.17764	2.9
337.16473	4.4
351.18143	2.6
355.17462	11.9
369.19785	6.5
373.18793	2.4
387.20709	1.8
393.19351	2.2
403.24857	2.7
411.20413	3.7
421.25766	12.0
439.26993	16.4
463.27307	3.0
505.28244	4.5
529.28949	2.7
547.29431	3.0
565.30261	8.1
583.31262	77.5
584.32208	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	582.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	29.9
57.03436	11.9
57.07093	21.4
59.04995	3.3
67.05507	30.0
69.07079	37.4
70.06593	6.6
71.04980	3.2
71.08626	12.9
71.42596	3.9
75.04475	3.9
79.05492	23.5
81.07053	35.3
83.04989	4.7
83.08624	27.4
85.10187	9.4
86.06114	3.6
88.07623	4.2
89.06041	7.1
91.05499	7.3
93.07056	39.6
95.04958	8.9
95.08610	45.8
97.06544	6.3
97.10176	12.2
99.04440	6.8
102.09175	5.5
105.07051	9.6
107.04958	6.7
107.08604	34.9
109.10158	10.9
111.11704	5.4
115.57521	2.9
117.07028	8.6
119.08565	13.8
121.06502	6.0
121.10156	19.6
123.11702	5.0
124.20853	3.7
130.07820	3.3
133.10175	6.9
135.11708	45.0
145.10126	22.9
146.11801	5.9
163.11195	44.5
181.12254	5.3
213.59874	3.0
227.12770	65.2
232.45139	3.4
256.26395	7.9
265.25180	3.8
277.93686	3.7
283.15445	46.6
300.29086	20.1
309.27899	21.0
313.27512	18.9
339.28970	100.0
521.38226	12.0
547.32031	2.3
547.39960	50.2
582.54565	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.05499	9.4
57.07070	5.7
59.04993	4.2
65.03929	5.5
67.05508	26.9
69.03403	5.0
69.07075	12.7
77.03912	3.0
79.05509	27.6
81.03380	3.3
81.07067	44.5
83.04961	4.0
83.08619	6.0
85.06529	6.1
87.04444	3.7
91.05486	45.1
93.07053	47.2
95.04979	82.9
95.08619	21.2
97.06525	5.3
98.20711	4.3
103.05460	3.2
103.67317	2.5
105.07036	76.0
107.04955	3.1
107.07895	3.0
107.08600	42.3
109.06519	13.4
109.10148	18.6
111.08070	4.2
115.05477	5.8
117.07036	28.8
119.04927	6.2
119.08588	85.7
121.06490	11.7
121.09320	3.5
121.10145	38.1
122.07304	5.3
123.08079	17.0
123.11680	6.2
128.06245	19.6
129.07008	21.5
130.07771	7.7
131.08583	56.8
132.09300	4.6
133.06483	10.5
133.10147	41.8
134.07375	4.0
135.08061	16.7
135.11707	14.0
137.09630	6.8
138.10376	3.0
141.07034	12.2
142.07759	20.5
143.08568	74.3
144.09329	10.1
145.06502	6.7
145.10132	65.7
147.08061	8.0
147.11700	18.9
148.08820	3.5
149.09592	9.5
151.11159	3.6
153.06995	6.4
154.07768	5.9
155.08557	26.2
156.09357	25.6
157.06503	2.4
157.10144	62.8
158.10936	13.0
159.08037	20.2
159.11700	30.9
161.09605	19.3
163.11203	4.6
165.07019	11.4
166.07751	5.6
167.08630	17.3
167.10669	8.0
168.09367	7.3
169.10124	38.5
170.10892	8.9
171.08025	7.8
171.11697	33.7
172.08876	4.2
172.12305	2.9
173.09648	20.1
173.13245	16.0
175.11182	7.4
175.14824	4.6
176.12044	3.9
178.07776	3.9
179.08554	18.6
180.09299	9.6
181.10121	29.1
182.10899	13.5
183.08115	5.4
183.11697	36.2
184.12486	6.7
185.09613	11.6
185.13239	13.3
186.10374	4.2
187.11153	9.8
187.14836	8.6
188.11902	3.6
189.09103	4.2
189.12769	11.7
191.08664	4.1
191.14322	8.2
192.09325	9.2
193.10188	24.1
194.10956	13.9
195.11719	29.9
196.12506	9.5
197.09593	11.0
197.13269	26.6
198.10306	3.1
198.14017	6.9
199.11179	17.5
199.14735	12.1
201.12756	6.1
202.89873	2.4
203.08633	3.3
203.14268	5.6
205.10150	6.9
206.10915	10.4
207.11710	25.3
208.12555	11.8
209.13287	23.7
210.13969	5.4
211.11214	15.9
211.14804	13.7
212.12053	4.9
213.12759	13.5
213.16379	6.2
215.14203	6.9
217.10159	4.2
217.12328	3.6
217.15947	7.2
218.10851	4.0
219.11687	10.0
219.13568	2.6
220.12540	4.8
221.09731	3.2
221.13277	17.4
221.15271	4.5
222.13942	6.4
223.11334	12.7
223.14784	17.7
224.11974	4.0
225.12683	15.2
225.16377	5.8
226.13533	3.5
227.14340	14.9
229.10101	3.9
229.48073	2.5
230.10864	4.1
231.11684	9.2
232.12589	6.1
233.13280	12.2
233.15375	4.5
234.13957	5.3
235.11276	3.9
235.14806	9.3
236.15625	4.5
237.12747	7.9
237.16243	6.8
238.17052	3.0
239.14355	5.9
239.18063	6.1
240.15149	5.0
241.15849	7.0
243.11674	4.9
244.12384	5.4
245.13161	7.8
246.13980	5.4
247.11053	2.8
247.14873	15.9
248.15561	3.9
249.12773	6.1
249.16383	10.5
251.14301	9.3
253.15848	8.6
253.19719	3.4
255.17432	8.5
259.14700	7.5
259.17126	3.1
260.15643	2.9
261.16367	14.7
263.17841	4.5
265.15860	8.3
271.17105	4.6
273.18573	62.6
274.17065	3.2
275.14148	4.1
275.18008	4.4
277.15839	6.4
277.19611	6.0
279.17508	5.1
286.19495	5.4
287.17700	4.2
287.20532	3.0
289.15823	10.6
289.19553	4.6
291.17453	8.2
291.20901	4.5
293.19034	3.5
299.20123	31.0
301.19449	3.4
303.21011	4.2
305.18829	3.6
307.20602	5.4
309.22070	2.6
319.20432	9.1
325.21567	7.7
333.22076	3.5
337.21741	18.5
345.22235	5.3
350.22363	3.9
351.23169	4.3
352.24008	100.0
353.24838	6.6
357.22153	5.0
363.23102	8.2
365.24829	13.4
401.28482	4.7
411.26758	4.8
429.27820	9.2
434.28125	5.3
443.29553	3.6
444.30258	56.4
445.30936	9.0
490.34290	10.8
502.34225	7.2
582.40381	80.9
583.40118	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01863	3.8
55.05508	15.6
55.79755	2.4
57.07071	8.4
59.05005	3.4
62.97251	2.7
64.72344	2.8
67.05511	29.0
69.03420	10.5
69.07076	18.3
69.17816	17.9
69.18221	7.1
71.04997	4.1
77.03957	2.5
79.05494	32.8
81.03443	4.2
81.07064	40.8
83.04970	7.9
83.08609	9.5
85.06538	4.3
91.05482	42.4
93.07048	50.5
95.04982	15.6
95.08609	31.7
96.48377	2.7
97.02914	2.5
97.06528	8.5
97.10181	4.2
103.05458	3.8
105.04532	4.3
105.07043	63.0
107.04966	4.6
107.08599	36.6
109.06541	13.1
109.10169	18.7
111.08116	2.8
115.05489	3.4
117.07039	17.9
119.08582	58.8
121.06516	10.0
121.10155	56.0
123.08088	21.9
123.11722	10.1
125.09638	5.0
127.04031	2.5
128.06261	7.1
129.07011	11.3
130.07809	4.9
131.08568	32.5
133.06505	3.2
133.10138	50.3
135.08058	10.7
135.11679	12.4
137.09642	9.7
139.11261	2.9
141.07002	8.8
142.07776	16.3
143.08569	22.3
144.09306	3.1
145.06497	3.3
145.10138	38.0
145.52875	2.7
147.08066	14.6
147.11729	15.1
149.09636	21.2
149.13284	3.7
151.07542	11.8
153.07024	5.1
155.08582	15.7
156.09369	12.3
157.10141	40.9
158.10938	10.4
159.08060	7.1
159.11665	17.5
161.09615	4.4
161.13300	6.5
163.11232	7.7
165.07024	7.3
165.09114	27.6
167.08551	8.5
167.10677	48.9
168.09431	3.3
169.10150	20.2
170.10966	6.9
171.08090	3.2
171.11736	22.3
172.08870	4.8
172.12329	2.7
173.09578	6.0
173.13228	21.9
175.14880	9.1
179.08589	9.6
180.09412	3.3
181.10110	14.6
181.12273	8.5
182.10909	7.6
183.11720	12.9
185.09641	4.0
185.13306	11.8
187.11240	6.5
187.14850	13.5
189.12811	11.3
191.14401	3.7
193.10164	9.0
194.10966	6.9
195.11743	18.5
196.12540	7.2
197.13246	11.9
198.13869	2.6
199.11194	4.3
199.14827	6.4
201.12823	2.9
201.16588	3.3
202.65463	2.7
203.14368	10.1
205.10234	3.3
206.10971	5.1
206.92638	2.5
207.11732	13.7
207.13824	11.0
208.12547	4.3
209.13304	17.2
209.15222	5.5
211.11305	4.0
211.14862	9.4
213.12773	5.6
213.16434	5.5
215.14337	8.4
217.10104	3.5
219.11845	3.1
220.12495	3.8
221.13261	9.7
221.15321	50.5
223.14853	11.4
225.12842	2.9
225.16414	6.0
227.14340	4.0
231.11771	4.3
233.13228	8.2
233.15463	21.3
234.14034	5.0
235.14934	7.6
236.15465	2.7
237.16435	6.8
241.19292	3.2
244.12228	2.9
245.13329	3.4
246.14174	3.9
247.14847	6.8
247.17046	4.0
248.15633	3.1
249.16403	4.3
251.14589	5.3
251.18120	3.5
258.14114	3.0
259.14874	4.9
260.15610	3.8
261.16422	4.9
265.19730	3.2
271.14676	3.6
275.17966	6.4
277.19553	4.7
289.19406	3.2
299.20242	5.9
312.20880	10.7
315.21484	2.9
319.23999	3.1
359.23639	5.2
373.25247	4.7
393.24103	4.1
431.29761	2.8
483.33157	3.2
537.12195	3.1
563.38495	17.8
581.39935	100.0
582.40479	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	581.1872
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
53.36551	1.5
55.05512	1.8
57.03431	9.3
59.04979	1.8
61.02905	1.7
62.93585	1.4
65.03949	1.2
67.01858	1.5
69.03427	10.1
69.96297	6.0
70.06608	1.8
71.04995	50.8
79.05477	2.0
81.03426	2.2
81.07046	1.4
83.04987	2.2
85.02906	62.7
87.04438	1.7
95.04977	2.6
97.02891	3.3
98.20715	1.2
107.04968	9.3
108.08078	1.5
109.02899	2.2
111.04447	2.4
119.04936	6.6
123.04406	7.2
126.33950	1.3
127.03921	3.2
129.05481	13.6
131.05016	1.6
135.04402	5.1
137.05933	1.9
139.03902	5.4
145.04990	1.5
147.04414	23.9
147.06508	2.8
151.03923	3.3
153.01837	51.3
163.03902	5.6
165.01860	5.7
165.65619	1.4
171.02914	8.7
175.03793	1.8
177.01816	2.9
177.05396	1.9
179.03369	2.0
181.04970	1.8
183.02928	1.3
189.05431	1.5
191.03416	4.6
195.02893	24.1
203.03323	2.0
219.02962	6.5
245.04448	6.7
263.05557	9.4
271.06073	3.9
272.06268	3.4
273.07596	100.0
274.53275	1.3
281.06485	2.6
285.07602	4.7
287.05630	1.6
297.07623	5.0
315.08694	8.0
339.08649	7.9
365.10077	5.2
375.61261	1.7
381.09848	2.3
383.11349	9.0
399.11118	1.8
401.12338	1.8
419.13272	3.9
435.12595	2.0
478.91818	1.8
605.94916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1869
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
52.51962	2.0
55.05516	3.7
57.03436	10.3
61.64277	2.3
65.86208	2.1
68.99800	2.7
69.03434	10.8
69.28735	13.8
69.29143	5.8
71.05000	54.3
75.04486	3.8
78.85174	2.0
80.82691	2.1
81.03394	3.3
83.05027	3.7
85.02914	68.3
91.05486	4.3
91.74229	2.0
97.02903	3.7
108.59444	2.5
109.02865	2.4
111.04451	3.9
116.64155	2.0
119.04963	7.5
121.02869	5.0
123.04453	7.6
129.05470	12.8
132.93431	2.7
135.04414	6.5
137.06085	3.2
139.03915	5.0
147.04413	26.3
147.06508	3.3
153.01846	53.2
163.03871	5.2
165.01837	14.0
167.06987	2.8
171.01176	3.0
171.02876	10.6
177.01889	6.0
177.05511	2.7
179.03485	4.3
183.02921	6.3
191.03468	8.4
194.95453	2.2
195.02905	56.3
200.76511	2.1
203.03426	3.9
219.02954	18.9
226.07050	2.3
231.03011	5.3
245.04533	9.0
261.04065	7.2
263.05502	11.5
271.06055	8.2
272.06381	6.1
273.07614	100.0
281.06461	2.7
285.07535	6.5
287.05481	3.9
297.07486	7.4
315.08603	13.6
339.08633	17.6
351.08707	3.8
365.10254	3.1
381.09964	3.3
383.11487	11.6
399.10864	4.3
401.12466	3.6
417.11844	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	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91678	1.2
53.03947	3.2
55.01872	3.9
55.05513	16.0
56.97299	1.2
57.03439	6.2
57.07076	6.5
57.47846	1.1
58.06604	1.7
59.21437	1.0
65.03938	2.2
67.05510	45.2
69.07070	19.6
69.92436	4.7
70.06597	18.7
71.04993	2.5
71.08634	1.4
72.08161	1.7
73.02921	1.1
75.08283	1.1
79.05073	1.5
79.05499	22.8
81.03402	1.2
81.07063	43.0
83.04989	2.3
83.08632	10.8
84.08144	1.5
86.09701	2.5
88.07621	10.1
91.05466	14.5
93.07053	26.5
95.04962	4.6
95.08614	43.3
97.02913	1.3
97.06537	4.0
97.10175	3.2
98.20854	1.4
99.04463	3.2
101.05961	1.2
102.09193	4.2
105.07037	11.4
107.04954	4.1
107.08604	19.6
108.56715	1.0
109.06534	3.3
109.10182	11.4
111.04384	1.4
117.07035	4.7
119.08591	10.8
121.06519	2.8
121.10155	11.4
123.11714	4.8
129.06963	1.5
131.08612	2.8
132.10214	5.1
133.10161	7.7
135.08034	1.4
135.11700	20.8
137.13242	1.7
145.10144	12.7
146.11787	5.1
147.11699	3.9
149.13354	1.3
155.08246	1.3
157.10194	1.4
159.11708	1.6
161.13220	1.6
163.11166	22.1
163.14871	1.6
174.58749	1.3
175.11201	1.7
181.12250	3.2
187.14781	1.6
197.09700	3.9
212.23836	1.9
227.12811	33.0
244.14252	1.4
256.26389	18.8
261.22168	2.4
283.15393	25.2
285.16974	12.3
300.29001	20.3
307.26236	7.6
335.25854	15.9
337.27402	38.0
425.38693	1.2
459.86200	1.3
490.99609	1.2
545.38464	29.7
580.23260	2.0
580.52991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.13930	1.6
55.01883	3.3
55.05511	18.4
57.03439	10.9
57.07059	3.2
67.05512	48.3
69.03432	2.4
69.06771	1.8
69.07076	17.6
69.99406	5.3
71.04995	1.7
71.08641	2.1
79.05495	23.2
81.07058	44.6
81.12994	1.7
83.04971	4.8
83.08627	13.7
85.06508	1.7
85.10216	1.7
87.07312	1.5
91.05489	16.5
93.07048	29.7
95.04981	7.7
95.08614	43.7
97.02918	2.1
97.06522	2.3
97.10188	4.5
99.04448	2.3
105.07034	11.1
107.04945	2.7
107.08618	22.5
108.03595	1.8
109.06512	1.7
109.10164	15.1
117.07033	6.3
119.07841	2.0
119.08585	9.8
121.06526	3.4
121.10181	11.3
123.11734	2.6
125.09579	2.1
131.08522	2.3
133.10146	6.1
135.10704	2.6
135.11711	31.7
137.13162	2.0
145.10141	14.4
147.11636	2.2
149.13271	3.2
156.38411	1.5
161.13210	2.7
163.11179	30.1
181.12245	5.1
227.12787	46.6
247.16736	2.3
283.15427	35.9
285.16956	5.3
335.25858	6.4
337.27396	100.0
372.44955	1.6
387.17767	1.9
530.39441	3.0
534.65588	1.8
545.38403	52.2
580.52979	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01871	8.7
55.05516	14.7
57.03443	10.7
61.02937	2.9
65.03938	3.5
67.05508	47.8
67.05840	4.4
69.03450	7.0
69.07076	29.0
70.55149	1.9
71.04987	3.3
73.02893	3.1
79.05499	23.6
81.03441	11.3
81.07064	32.3
83.04994	6.9
83.08625	8.6
85.02914	8.3
85.06556	3.5
91.05482	38.9
91.17334	2.2
93.07050	39.3
95.04963	14.5
95.08605	22.4
97.02873	5.4
97.06547	10.4
97.10188	3.7
98.20728	5.5
103.05461	14.8
105.04503	2.7
105.07043	21.2
107.04973	10.5
107.08619	14.7
109.06580	3.2
109.10173	24.4
111.08151	2.3
117.07029	6.6
118.06554	2.3
119.04927	3.0
119.08576	17.2
121.06506	71.8
121.10165	9.9
123.04441	2.6
123.08078	2.0
123.11705	4.2
125.09649	4.0
127.03944	6.0
129.07021	2.9
129.77774	2.1
130.06709	2.2
131.08583	9.2
132.08083	3.1
133.10149	10.6
135.08084	3.3
135.11731	7.2
137.09644	6.9
139.03944	4.8
143.08635	2.6
145.10153	8.5
147.11725	8.3
149.09651	6.4
150.54984	2.5
151.11185	3.1
155.10710	2.9
157.10165	4.2
159.11765	9.1
163.11253	6.3
171.10216	4.7
173.11809	9.8
173.13203	4.8
187.11192	2.5
193.12242	3.4
227.12912	2.7
229.14352	18.5
229.43504	2.6
243.16026	3.2
247.20747	3.1
250.00508	2.2
255.15891	4.0
257.19052	4.8
267.16147	3.9
271.15573	2.5
275.20020	22.0
291.19604	5.5
324.26770	2.6
340.26544	4.1
349.23773	46.6
367.25089	2.7
368.25833	17.9
383.24475	5.2
386.27029	8.8
404.27893	2.7
442.29443	8.0
460.30536	16.7
477.28229	3.5
580.36377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91402	1.7
55.05518	8.9
57.07079	23.5
59.61467	1.6
64.47521	1.5
67.05510	53.2
69.07066	7.6
69.50059	13.0
71.08626	19.5
79.05463	2.4
79.48896	1.5
81.07064	17.3
83.08620	9.6
85.10182	7.8
91.05475	3.7
93.07066	3.0
95.08620	16.6
97.10148	1.9
107.08601	3.1
109.10164	45.2
113.00040	8.0
119.08591	4.5
123.11704	3.2
137.09621	2.3
155.10690	2.5
169.02666	7.9
173.11760	10.4
181.59201	1.9
239.23770	5.8
311.29620	3.8
313.27426	3.1
467.37375	100.0
559.91241	1.8
578.52356	2.2
579.52393	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1504
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
51.02389	1.1
55.01869	1.7
65.03944	1.1
67.05514	0.9
68.99790	5.3
69.03429	0.9
71.15092	0.8
72.51862	0.7
77.03915	0.9
81.03417	3.2
89.03900	1.3
90.31448	0.7
91.05478	1.7
93.03388	0.9
95.04979	2.3
99.04484	1.9
101.00909	1.0
103.05455	0.7
103.97323	0.9
107.04984	3.5
109.02898	3.8
111.00809	2.7
111.04443	1.7
113.00861	0.8
114.11861	0.8
114.53968	0.8
114.63356	0.6
115.05512	1.2
117.03385	1.9
119.01920	1.4
119.04936	3.2
121.02885	2.1
123.04437	45.3
127.03925	100.0
131.04956	1.9
135.03404	1.4
135.04420	27.8
137.02353	2.8
137.06087	0.7
139.03911	53.0
141.06973	0.9
143.01970	1.0
145.02829	1.2
147.04427	12.1
149.02364	4.4
149.05954	1.2
151.03883	6.8
153.01848	1.1
155.04967	1.2
159.04417	3.6
161.02902	0.7
161.06041	3.4
163.03912	37.4
165.05479	6.1
167.03415	7.0
167.05504	0.8
169.03535	0.9
173.05995	2.9
175.03867	3.7
177.05508	6.0
179.03374	3.4
183.04597	0.7
184.05229	0.7
185.02997	1.5
185.06017	1.5
187.03830	6.3
187.07587	0.8
189.05484	2.6
191.03418	13.6
193.05005	4.7
197.06017	3.4
201.05475	6.4
203.03401	8.9
203.07089	2.2
205.05045	3.6
207.06540	1.3
209.06555	1.6
213.05443	1.2
214.61444	0.7
215.07080	3.3
217.05054	1.0
219.06612	1.1
225.05505	1.1
227.02620	1.5
229.05037	6.9
230.05356	0.7
231.06662	1.9
233.04437	5.8
235.02322	0.7
241.04964	1.8
243.06482	5.1
245.04535	8.4
247.06044	16.0
251.05536	1.3
255.06587	2.3
257.04462	10.3
259.06052	10.0
269.04434	2.6
271.01529	1.4
271.06027	17.8
273.07520	1.3
275.05493	16.3
283.05991	7.0
285.07565	0.9
287.02280	1.2
287.05515	24.2
289.07092	10.9
291.08627	10.2
297.04565	1.0
299.05484	3.9
301.07062	12.8
303.08643	2.3
305.35422	0.7
315.00613	2.2
357.01505	1.6
357.07150	0.9
382.16321	0.8
395.62411	0.8
399.07474	1.1
409.09186	21.5
411.10828	3.2
417.08942	2.2
421.09348	0.8
427.10263	6.9
579.14459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	8,9-Dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl)-10H-pyrano[2,3-h]catechin
Peak:m/z	Relative Intensity
53.03921	0.9
55.01869	2.2
59.72068	1.0
65.03957	1.9
67.05498	1.1
68.99790	2.8
69.72710	5.6
69.73022	1.5
77.46438	0.9
91.05476	2.0
93.03413	1.5
94.10421	0.9
96.73798	0.8
97.02901	0.9
98.21485	2.0
105.03367	1.1
111.04435	3.9
112.54469	1.0
115.05415	1.2
117.07013	1.2
119.04939	3.9
121.02859	1.3
123.04440	58.8
127.03928	3.8
129.07030	1.2
131.04948	1.0
135.04436	5.2
135.05327	1.1
136.07813	0.8
137.02339	1.4
137.34648	0.9
139.03914	100.0
141.07034	1.0
143.04915	1.8
147.04428	12.4
151.03905	1.0
153.05469	1.1
157.06479	2.5
160.80183	0.9
161.05978	10.2
163.03918	56.3
165.05475	5.7
169.06490	2.5
171.04468	2.0
173.05931	2.0
175.03928	1.8
181.06538	1.2
185.06007	4.3
187.03918	1.5
189.05446	3.4
189.27094	1.0
197.05997	6.3
201.05431	3.6
205.05049	1.3
213.05434	5.8
217.04932	1.7
225.05537	6.5
227.06996	1.2
229.04977	9.0
230.05765	1.4
231.06502	2.7
237.05460	1.0
241.04906	7.5
243.06485	7.8
245.04408	1.5
247.06017	9.7
253.05002	2.2
255.06560	1.7
257.04526	2.4
259.06030	32.1
271.06033	16.6
275.05756	1.1
283.05954	4.1
285.07486	1.0
287.05356	1.9
289.07074	18.1
301.07037	6.3
321.07724	1.2
365.10083	1.3
375.08591	2.0
391.08255	3.1
393.09729	5.2
405.09784	1.6
409.09244	26.6
411.10480	2.3
417.09451	3.0
421.09128	2.3
423.10803	7.2
427.10410	4.5
433.09052	1.4
435.10663	1.4
441.11786	6.8
455.24475	1.0
543.12805	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
53.03948	0.9
55.01874	1.7
67.05502	1.0
68.99799	4.1
70.17233	2.4
77.03952	1.0
79.05486	1.3
81.03436	2.1
91.05487	2.1
93.03418	0.8
95.04961	2.0
105.03395	2.2
107.04956	3.4
109.02886	2.7
111.00826	2.5
111.04431	2.8
115.05477	1.0
116.15839	0.9
119.04957	5.3
121.02888	1.5
121.06545	0.7
123.04436	100.0
126.95777	0.7
127.03927	67.3
131.04977	1.6
135.04427	32.3
137.02362	2.8
137.05969	1.2
139.03911	38.3
140.57497	0.8
141.07068	0.8
143.04916	1.7
147.04420	13.1
149.02362	3.5
149.06000	1.3
151.03912	6.6
153.06828	0.8
157.06531	0.9
159.04413	2.4
161.06006	5.2
163.03923	34.1
165.05473	8.5
167.03436	4.2
169.06505	1.7
173.06010	2.6
175.03984	4.3
177.05470	3.4
179.03432	5.2
181.04967	2.3
185.05994	2.1
187.03903	4.7
189.05495	4.6
191.03435	8.1
193.04982	6.4
197.06001	2.1
201.05478	4.9
203.03432	11.0
203.07039	1.9
205.05000	2.2
207.06557	2.4
213.05475	2.8
215.03513	1.4
215.07079	2.5
217.05006	3.2
225.05415	2.1
229.04947	7.1
231.06538	3.2
233.04529	2.3
237.36360	0.8
241.05014	2.2
243.06593	3.1
245.04459	13.2
247.06056	16.5
253.04733	1.1
255.06551	3.3
257.04514	16.9
258.05170	3.2
259.06082	5.6
261.07828	0.8
269.04538	2.8
271.06033	17.0
273.07477	1.5
275.05496	14.6
283.06021	7.9
285.07568	3.5
287.05527	39.6
289.07156	8.2
291.08661	11.3
299.05542	9.8
301.07098	9.4
303.08661	2.9
313.07230	1.7
315.08667	1.4
333.09674	1.1
409.09219	39.7
411.10599	2.2
421.09122	2.6
427.10376	4.1
435.10501	5.3
439.10361	5.6
453.11646	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	579.1499
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
55.01876	1.5
60.29745	0.8
66.26360	1.0
67.01882	1.1
68.99790	5.3
69.45926	6.2
81.03428	3.3
83.74506	0.9
95.04982	1.4
99.04494	0.9
103.05473	1.0
107.04961	3.4
109.02890	4.5
111.00805	1.9
111.04459	3.1
112.83094	0.8
116.15608	0.8
117.90384	0.9
119.04960	1.5
121.02853	1.5
123.04441	43.7
127.03929	100.0
131.04909	2.5
135.04434	27.7
137.02350	3.5
139.03915	49.6
139.43918	0.9
141.07065	1.1
145.06567	0.9
146.43520	0.9
147.04414	6.6
149.02359	5.4
149.05997	1.2
151.03906	7.2
159.04379	4.0
161.05988	2.0
163.02563	2.0
163.03918	33.4
165.05501	5.8
165.72307	1.1
167.03406	8.5
169.06499	1.6
173.05969	2.0
175.03951	2.7
177.05486	4.5
179.03419	3.0
181.05066	1.3
181.06517	1.0
185.05981	1.5
187.03873	5.6
189.05531	2.4
191.03433	10.3
193.05032	3.1
197.05965	4.5
201.05467	5.2
203.03392	8.6
203.07080	1.9
205.04988	3.1
207.06464	1.4
213.05457	1.4
215.03412	1.2
215.07025	1.7
217.05066	1.0
225.05556	1.1
229.04964	7.3
231.06552	1.7
233.04431	5.7
241.04947	1.9
243.06537	5.1
245.04459	6.2
247.06067	15.2
251.05553	1.2
255.06516	1.5
257.04477	7.7
258.05005	1.0
259.06006	9.1
269.04425	2.0
271.06033	15.5
273.07822	1.3
275.05499	15.1
283.06003	7.4
287.05511	23.7
289.07104	11.8
291.08658	11.4
295.48999	0.8
299.05475	3.0
301.07141	13.0
303.08682	2.4
391.07916	0.9
409.09256	22.3
410.09570	1.0
411.10745	3.0
421.09363	1.5
427.10513	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	578.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88240	1.8
55.05507	13.9
57.03440	5.4
57.07078	3.4
65.03921	2.2
67.05508	43.2
69.07073	9.5
69.65105	11.5
70.51178	1.7
71.05002	2.3
71.08617	1.9
79.05065	3.4
79.05499	34.6
81.03425	2.5
81.07063	38.7
83.04996	2.8
83.08630	8.2
88.07645	2.7
91.05453	14.1
93.07047	37.7
95.04987	4.0
95.08609	44.5
96.14278	2.2
97.02911	2.4
97.06533	4.5
97.10117	2.2
105.07050	12.0
106.94421	1.8
107.04939	4.8
107.08611	28.1
109.10162	8.9
111.08125	2.4
117.07018	5.9
119.08580	10.9
121.06516	4.2
121.10138	15.4
127.31245	1.9
130.07848	2.9
131.08556	4.9
133.10120	5.6
135.08078	2.0
135.11699	27.9
145.10150	16.0
147.11652	2.3
149.13290	4.3
161.13281	2.1
163.11183	32.2
165.63799	2.0
169.25839	2.0
179.57422	2.2
181.12225	7.0
227.12785	64.2
243.69745	2.3
256.26285	2.6
261.22119	3.6
283.15381	33.2
335.25812	100.0
543.36847	46.8
578.51782	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	577.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.8
54.63527	3.1
55.01875	16.7
55.05517	40.8
57.03437	14.9
57.07069	8.4
61.10567	3.2
61.77412	3.2
65.03942	5.1
67.05510	97.8
69.03432	6.4
69.07079	40.2
71.05002	9.7
79.05498	95.4
81.03416	21.1
81.07063	100.0
83.04997	22.3
83.08634	21.5
85.02922	7.5
85.06549	8.0
91.05486	82.1
91.06025	6.2
93.07052	91.4
93.07635	5.6
95.04987	33.2
95.08611	43.7
97.02878	4.1
97.06528	26.2
97.10172	11.2
98.21558	7.0
99.08072	5.6
99.87941	3.1
105.07035	81.6
106.07384	3.9
107.04978	35.0
107.08611	46.0
109.06523	14.5
109.10152	28.4
111.04453	21.6
111.08062	7.1
115.05447	5.9
117.07034	26.8
119.08588	70.9
121.06518	9.5
121.10156	48.9
123.04402	4.2
123.08098	7.5
123.11758	6.3
125.09653	10.5
128.06244	6.5
129.07011	19.8
131.08597	37.3
133.06516	4.9
133.10135	52.5
135.08049	10.5
135.11722	27.1
137.09624	5.5
143.08578	10.9
145.06474	8.4
145.10135	42.4
147.08054	5.6
147.11693	39.9
149.09621	18.0
149.13264	13.7
151.11180	7.4
153.12744	9.5
155.08582	8.2
157.10106	16.3
159.07965	4.6
159.11691	22.6
161.09589	5.1
161.13242	21.6
163.11185	36.9
165.12863	4.8
169.10217	5.1
171.11595	15.8
173.09691	14.7
173.13287	8.6
175.11169	9.5
175.14827	9.6
177.12805	4.2
181.12288	14.9
183.11758	5.7
185.13214	13.2
187.14867	5.2
189.11235	5.8
189.12811	3.5
191.10635	19.2
193.12288	13.9
199.14908	4.5
209.11765	11.9
211.13342	11.3
217.15929	4.1
227.12836	18.8
231.21053	7.4
241.19560	22.6
247.20557	4.2
257.19046	7.9
259.20599	37.7
259.33456	4.4
265.14368	12.9
267.15875	10.4
273.18649	6.6
275.20102	33.2
277.21591	11.8
283.15396	27.9
285.17041	10.0
287.67245	3.1
291.19885	5.4
299.14798	7.0
301.16498	32.5
314.87540	3.3
315.23212	4.6
333.24231	24.1
335.25723	4.6
349.23709	10.1
351.25369	4.0
372.34680	4.1
449.30566	9.3
467.31421	9.8
485.32611	6.7
513.35419	7.5
523.34027	10.0
541.35455	29.5
559.36304	45.5
577.37384	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
53.10496	1.8
55.01880	16.3
55.05265	3.0
55.05514	33.4
57.03437	9.3
57.07076	2.0
65.03938	3.9
67.05508	56.8
69.03420	4.1
69.07072	26.2
71.04993	5.5
75.42802	1.7
76.36132	1.7
79.05011	2.0
79.05494	55.2
81.03414	5.7
81.07062	100.0
83.04976	11.6
83.08627	15.4
84.65811	1.7
85.06561	4.9
89.82478	1.7
91.05486	55.1
93.07046	48.0
94.07343	2.3
95.04977	15.9
95.08610	33.2
97.06541	25.0
97.10176	8.6
99.08093	3.9
105.07038	63.5
107.04337	2.4
107.04949	13.4
107.08600	36.8
109.06528	10.1
109.10168	16.8
111.04462	3.4
111.08106	6.1
113.00055	1.7
115.05445	2.1
116.50307	1.7
117.07004	14.3
119.08591	44.5
121.06502	4.0
121.10154	30.3
121.75416	1.7
123.08114	6.0
123.11711	20.6
125.09597	10.3
127.07568	3.8
129.07018	8.4
131.08574	21.6
133.10136	21.6
134.65697	1.8
135.08057	7.4
135.11710	14.7
137.09650	3.0
137.13239	2.0
139.11177	2.9
141.06953	2.2
143.08548	5.9
145.06470	2.1
145.10123	19.8
147.08052	3.5
147.11703	54.5
149.09627	23.7
149.13268	6.8
151.11194	4.0
153.12720	2.1
155.08582	2.1
157.10149	5.3
159.11694	11.7
161.09616	3.0
161.13229	8.8
163.11211	13.0
163.14848	2.6
163.43216	1.8
165.12781	18.9
169.10101	3.7
171.11690	4.1
173.09650	2.5
173.13292	5.7
175.11150	3.3
175.14796	2.7
177.12721	2.4
179.14377	4.8
183.11713	2.2
187.14780	2.6
189.11200	5.3
191.10709	2.5
193.12299	3.3
193.55762	1.7
209.11728	2.2
211.13301	1.9
227.12811	13.3
229.14362	4.0
239.18002	2.9
241.19571	3.8
245.13853	4.6
247.20575	4.3
257.18985	8.0
259.20593	7.2
267.15952	32.5
268.93927	1.7
275.20081	57.8
277.21552	2.0
283.15417	2.2
285.16946	22.1
293.21170	6.5
301.16519	5.9
333.24466	3.8
349.23779	23.1
459.11575	1.7
467.31122	1.9
541.35242	5.3
559.36298	27.8
577.37238	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	577.1346
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
55.01880	1.7
65.03934	1.2
67.05499	2.9
68.99792	4.4
69.03439	4.1
70.95802	2.3
77.03973	1.3
79.05478	1.7
81.03455	2.0
83.04977	0.9
85.02916	1.7
91.05480	2.9
93.03411	0.8
95.04978	4.9
97.02888	2.0
105.03424	1.9
105.07045	1.1
107.04956	5.1
109.02882	0.8
111.00777	1.9
111.04457	2.9
115.05431	1.1
119.04965	6.3
121.02876	2.0
121.06534	0.9
123.04433	100.0
125.05994	1.9
127.03905	4.4
135.04410	8.3
137.02377	5.0
137.05992	1.7
139.03909	25.8
143.04922	1.2
147.04419	20.1
149.02283	3.9
151.03909	55.1
153.01826	3.7
153.05463	6.6
155.03380	0.8
155.04848	1.3
161.03490	1.2
161.05994	5.2
163.03918	23.5
165.01892	1.0
165.05495	15.9
167.03394	1.8
171.04410	3.4
173.05983	2.5
175.03928	4.5
177.05443	2.3
179.03346	2.2
181.04971	37.2
183.04420	1.8
185.05960	2.0
187.03943	1.8
187.07524	0.7
189.05482	13.9
191.03337	1.4
193.04948	0.9
194.07431	0.7
197.06001	2.2
199.03940	5.9
200.04568	1.2
201.05519	4.3
203.03419	6.6
207.06419	1.0
213.05516	3.2
215.03426	6.2
217.04990	17.7
221.04469	2.1
227.03439	7.0
229.04976	7.5
231.02927	1.0
231.06540	4.1
237.92261	0.8
239.03458	1.2
241.04976	3.3
243.06596	1.3
245.04468	90.2
246.04993	0.9
247.06021	9.4
253.04953	1.3
255.06444	1.7
257.04407	6.9
259.06015	4.7
269.04401	4.5
271.06018	7.3
273.07587	1.0
275.05533	2.0
281.04471	2.2
283.05948	0.8
287.05518	26.4
291.08792	4.6
299.05539	11.9
301.07141	1.4
311.05502	3.2
323.05502	1.2
327.20456	1.0
361.07047	1.4
367.08127	1.2
374.27756	0.8
379.08176	5.9
389.06601	2.5
397.09238	13.6
406.63376	1.0
407.07474	11.0
409.09164	2.8
411.10648	2.2
419.07791	1.0
425.08640	24.4
437.08389	1.3
451.10370	4.5
510.14236	1.0
541.11285	1.4
559.12024	3.0
577.13361	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	577.1346
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
54.70438	0.2
65.03937	0.2
67.05490	0.3
68.99791	1.0
70.06582	0.2
71.02831	0.5
74.47707	0.2
80.37389	0.2
81.03429	0.5
84.08131	0.2
91.05483	0.3
95.04953	0.3
101.49515	0.2
105.03397	0.3
106.06630	0.2
107.04951	0.4
109.02941	0.3
111.00840	0.4
111.04436	0.6
114.10284	0.3
115.05454	0.3
119.04963	0.4
121.02843	0.6
123.04435	10.0
127.03912	1.8
133.02841	0.3
135.04414	1.0
137.02350	7.3
137.03409	0.5
139.03905	2.3
143.04930	0.2
147.04411	1.4
149.02330	1.3
151.03912	2.3
153.01857	0.5
153.05440	0.3
157.06465	0.3
161.05969	0.8
163.03917	2.2
165.05499	0.4
171.04408	0.5
173.05919	0.4
175.03938	1.0
177.01846	0.4
177.05452	0.3
179.03392	0.4
181.04959	1.1
181.06432	0.3
185.05963	1.0
187.03899	0.2
189.05426	1.5
191.03276	0.3
197.06003	0.4
199.03922	0.9
201.05499	0.4
203.03352	1.4
203.07082	0.3
213.05463	1.5
215.03368	0.4
217.04968	0.7
227.03397	0.8
229.04941	0.5
231.06538	1.3
241.04965	0.7
243.06560	0.3
245.04465	3.9
247.06061	1.2
253.04933	0.4
255.06598	0.6
257.04535	0.6
259.06027	1.4
269.04474	1.1
269.17841	0.2
271.05978	1.7
273.07553	0.4
283.06049	0.5
287.05505	100.0
288.05878	1.3
299.05515	2.7
311.05496	0.7
335.05417	0.6
345.07666	0.2
379.07834	0.3
397.08984	0.5
407.07758	1.0
409.09149	0.4
419.07645	1.9
425.08710	10.8
437.08728	4.4
451.10376	0.5
536.99939	0.2
559.12036	0.6
577.13434	0.3
577.21942	0.8
577.31000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1344
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
51.02382	0.6
53.03939	1.2
55.01864	1.2
58.95330	0.5
65.03937	1.2
65.26457	0.5
67.05499	3.6
68.99796	2.8
69.03437	3.4
70.25780	1.6
70.26162	1.2
71.04944	0.6
76.77867	0.6
77.03914	0.6
79.05494	0.9
80.20967	0.5
81.03401	2.1
85.02903	1.2
91.05479	1.5
92.71021	0.6
93.03405	0.7
95.04979	4.4
97.02898	3.2
98.21482	0.6
105.03384	2.1
105.07042	1.3
107.04975	4.1
111.04433	2.1
115.05424	1.0
116.07073	0.6
119.04951	3.9
121.02895	1.1
123.04431	88.5
124.04698	0.7
125.02365	0.5
125.06000	1.6
127.03905	1.3
131.04895	0.8
133.02850	0.9
133.06483	0.7
135.04413	5.3
137.05940	0.9
139.03902	16.9
143.04796	0.8
147.04411	13.8
147.05531	0.9
149.13138	0.5
151.03908	71.5
153.05453	9.7
159.04475	1.0
161.03513	1.1
161.05971	1.2
163.03911	20.8
165.05489	11.6
171.04446	3.7
175.03923	0.9
179.03407	2.3
181.04956	41.7
183.04347	0.6
187.03929	1.2
189.05464	16.5
191.03407	1.4
199.03908	5.6
201.05466	1.1
204.04141	0.5
213.05464	2.5
215.03392	10.1
217.04959	22.8
225.05556	0.7
227.03384	7.2
227.06950	0.9
229.04968	3.2
237.05455	0.8
239.03409	1.3
241.04999	2.8
243.03006	1.0
243.06517	1.3
245.04462	100.0
246.04851	1.2
247.05983	0.9
255.06522	0.7
257.04407	4.4
269.04404	1.3
275.05447	1.1
287.05429	2.9
291.06464	0.7
319.06085	2.3
321.07693	0.8
333.07590	1.1
351.08810	1.4
361.07083	2.4
363.08612	1.5
367.07996	1.0
379.08203	4.4
389.06479	0.6
393.09793	1.0
397.03897	0.8
397.09219	13.3
407.07657	2.7
409.08862	0.8
425.08679	50.5
426.08920	1.2
559.12256	2.0
577.13385	33.4
578.13586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.8
55.01875	15.0
55.05275	3.8
55.05518	54.4
57.03439	14.5
57.07064	5.8
59.04989	3.3
61.45723	2.1
62.31313	2.2
65.03938	6.5
67.05513	100.0
67.97333	2.3
69.03427	7.0
69.07077	34.6
71.04720	2.0
71.05004	21.6
71.34783	2.2
79.05502	83.4
81.03424	14.1
81.06594	4.7
81.07067	96.6
83.04984	13.6
83.08632	26.3
85.02905	3.6
85.06538	10.0
91.05487	81.0
93.06499	4.0
93.07058	75.5
95.04987	22.0
95.08617	70.7
97.02881	4.0
97.06567	13.9
97.10179	23.1
99.08115	7.7
105.03423	2.3
105.04540	3.1
105.07040	73.2
107.04965	14.3
107.08604	43.6
109.06519	10.2
109.10172	26.3
111.08093	10.9
111.71773	2.5
115.05478	6.0
117.07030	38.6
119.07787	4.5
119.08588	47.4
119.60467	2.3
121.06524	9.7
121.10157	27.6
123.08097	12.1
123.11704	7.3
125.09638	21.9
128.06250	8.6
129.07031	26.3
130.07788	4.8
131.08580	49.9
133.06441	5.4
133.10126	37.2
135.08046	12.1
135.11708	15.8
137.09644	4.9
139.11264	3.6
141.06993	7.8
142.07794	6.8
143.08560	34.1
145.06500	5.4
145.09045	4.4
145.10126	48.6
145.86360	2.7
147.08058	8.9
147.11714	25.5
149.09628	11.4
149.13248	5.7
151.11195	4.8
153.09073	3.4
155.08562	14.8
157.10133	34.2
159.08047	9.7
159.11684	26.8
161.09644	8.6
161.13254	11.1
163.11186	10.5
165.09052	3.1
165.12810	3.2
167.08597	9.3
168.09409	4.1
169.10144	24.7
171.07964	2.9
171.11678	18.3
173.09610	10.1
173.12024	2.7
173.13286	18.7
175.11203	8.9
175.14865	3.6
177.12788	4.6
179.14360	3.5
181.10103	9.3
181.12228	3.4
183.08154	2.6
183.11734	15.4
185.13261	13.7
187.11223	4.4
187.14772	6.4
189.11317	11.6
189.12759	4.3
189.16484	3.1
193.10062	2.8
193.12273	4.7
195.11765	12.3
197.13240	8.8
199.11255	3.9
199.13206	2.6
199.14876	7.6
201.16460	3.9
203.14355	3.4
205.12144	2.6
207.11763	5.6
207.13611	2.7
209.13220	7.0
211.13240	6.0
211.14958	4.1
221.13322	2.5
223.14920	6.0
227.12704	22.0
233.15353	3.4
235.14920	5.8
237.16573	2.7
249.16544	3.7
255.17647	3.6
259.20581	5.7
267.15952	5.0
273.18661	12.5
275.20251	12.8
277.21515	3.3
285.22241	6.6
289.18045	3.2
291.19583	20.6
297.22238	4.1
299.20401	4.3
299.23752	11.3
321.21954	3.3
327.23590	2.9
351.23016	3.1
355.26474	3.4
415.30109	5.8
421.25754	7.5
433.31052	15.2
443.27390	3.5
451.32129	16.7
469.32993	8.4
499.34171	4.9
507.34509	10.2
517.35162	21.8
525.35736	55.3
543.36816	56.9
557.38733	24.4
575.38361	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53732	2.8
53.03956	11.0
55.01867	4.7
55.05514	34.7
57.03438	8.9
57.07061	7.8
65.03928	4.3
67.05508	82.2
69.07071	28.6
70.06597	2.4
70.06947	9.9
71.04999	4.4
71.08633	38.1
79.05496	95.1
79.70506	2.6
81.03428	12.9
81.06585	4.8
81.07057	87.5
81.52369	2.2
81.95430	2.1
83.04993	18.5
83.08614	15.2
85.06542	4.4
87.04473	8.6
91.04897	3.8
91.05482	78.8
93.07044	100.0
95.04974	22.2
95.08611	55.1
97.06509	15.4
97.10179	10.7
99.08098	23.7
103.05479	3.2
105.04518	3.0
105.06311	3.2
105.07030	64.5
105.46409	2.1
106.07355	3.2
107.04954	10.3
107.08598	40.0
109.06522	11.4
109.10157	11.3
111.08071	3.8
113.09650	4.0
115.05404	2.7
117.06966	12.2
119.08583	33.2
121.06499	4.7
121.10136	29.7
123.08075	7.5
128.06224	3.9
129.06995	16.6
131.08553	13.3
133.06401	2.5
133.10124	23.5
135.11702	27.0
137.09648	5.7
141.12697	2.6
143.08566	10.7
145.10059	12.5
147.08014	4.8
147.11690	30.3
149.13283	9.9
151.11188	19.9
157.10147	4.3
159.11705	5.6
161.13269	21.0
163.11182	10.4
163.14789	2.6
170.84995	2.3
171.11699	25.3
177.12706	3.9
179.14314	79.9
179.15840	5.0
185.13264	6.0
188.97043	2.4
189.12723	11.0
203.14595	2.1
207.13823	23.8
221.15367	4.4
235.17079	3.2
241.19713	3.7
259.20612	7.4
277.21619	63.4
281.17471	59.2
295.22662	5.8
296.56030	2.8
351.25342	26.1
379.24661	4.4
459.31207	3.2
463.30545	4.1
557.38373	76.9
575.40619	10.4
575.49878	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	575.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.2
53.34010	2.2
55.01873	22.5
55.05511	46.6
57.03427	11.3
57.07068	4.2
65.03934	3.6
67.05509	85.4
69.03433	4.4
69.07066	36.1
69.39491	2.1
69.41611	19.7
71.01348	2.5
71.04988	9.1
71.08630	2.4
71.51856	2.2
79.05496	95.8
81.03421	18.2
81.07062	91.4
83.04983	14.1
83.08621	22.7
85.02900	2.9
85.06535	5.9
91.05482	81.3
93.07046	77.6
93.07634	3.2
95.01300	2.9
95.04977	23.0
95.08611	68.1
97.02891	8.0
97.06531	28.3
97.10168	14.0
98.20716	4.2
98.57253	2.4
99.04507	3.8
99.19347	2.2
103.05496	4.3
105.04482	3.5
105.07037	75.3
107.04961	21.1
107.08598	58.6
109.06514	8.8
109.10154	30.1
111.04448	3.8
111.08104	4.5
115.05447	3.8
117.07018	30.4
119.08585	56.1
121.06516	15.9
121.07256	2.4
121.10157	33.4
123.04469	2.6
123.08078	8.8
123.11703	3.7
125.06002	3.4
125.09618	17.6
128.06232	3.5
129.07002	11.1
130.07764	4.0
131.08566	34.1
133.06534	2.7
133.10132	42.5
135.08095	12.7
135.11700	52.6
137.09688	2.3
139.07553	2.5
139.11252	3.4
143.08542	11.5
145.06444	4.9
145.10132	50.6
147.08057	5.6
147.11697	26.5
149.09637	22.0
149.13234	5.3
151.11217	8.4
155.08524	5.1
157.10139	11.5
159.08049	5.0
159.11703	14.3
161.09590	4.9
161.13217	11.9
163.11192	55.8
165.12769	4.5
167.08662	3.2
169.10097	6.8
171.11684	13.5
173.11848	3.0
173.13304	6.8
175.11307	2.5
175.14839	5.9
177.12846	3.4
178.56033	2.4
179.14331	4.3
181.12257	9.1
183.11739	4.6
185.13222	5.1
187.11307	3.9
187.14845	3.1
189.11227	4.3
193.12216	4.3
199.14871	4.8
209.11777	3.7
217.16011	3.0
225.11208	5.2
227.12784	100.0
227.42049	2.8
239.18034	4.6
241.19525	10.8
247.20673	3.2
257.18997	14.4
259.20633	23.7
267.15936	6.5
273.18448	5.3
275.20090	69.5
275.23117	3.6
283.15427	31.4
291.19528	7.9
293.21295	11.9
299.14902	19.6
299.19873	2.9
331.22513	4.5
333.24133	10.1
349.23764	36.1
384.86462	3.4
447.28802	3.7
465.29968	5.0
539.33923	5.7
557.34930	37.0
575.35712	30.8
575.50171	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	574.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05516	15.0
56.05838	1.3
57.03428	4.7
57.07081	38.7
58.07408	1.3
67.05509	44.9
68.05842	2.4
69.07069	12.9
71.04997	14.1
71.08636	23.5
79.05500	16.8
80.05816	2.1
81.07063	70.4
82.07384	1.7
83.04985	1.8
83.08620	13.7
85.06552	5.5
85.10192	12.7
86.10514	1.4
87.04478	14.2
91.05489	15.5
92.05776	2.5
93.07055	17.0
95.04981	1.9
95.08610	28.2
96.08932	2.0
97.06503	1.5
97.10186	6.0
105.07034	8.3
107.08604	8.1
108.08916	1.5
109.10165	13.8
110.10549	1.4
117.07025	3.2
119.08613	2.7
121.06440	1.5
121.10159	5.1
123.11736	10.2
131.08566	3.5
133.10167	10.6
134.10486	1.5
135.11687	3.8
135.58928	1.1
137.13246	2.9
147.11743	1.3
149.13243	3.7
151.11192	5.1
159.11699	3.4
161.13313	1.1
165.09180	1.4
177.12825	1.4
183.13776	3.8
187.13274	3.3
195.13861	2.4
239.23695	3.7
257.17477	2.6
261.22119	1.9
269.17542	3.5
279.28650	1.2
283.26208	1.8
289.15808	1.1
301.20111	19.2
313.27390	28.5
314.27957	2.6
317.24942	2.1
318.24966	1.7
325.02420	1.6
481.38931	100.0
482.39273	1.7
495.40497	4.7
507.40686	5.4
529.27820	1.2
539.43091	44.1
539.51392	2.1
574.40759	1.1
574.49225	20.1
575.49890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.3
53.03947	5.9
55.01867	1.2
55.05515	24.8
56.58075	0.9
57.03440	1.5
57.07081	59.0
65.03938	2.4
67.05508	68.0
69.07071	24.6
69.27016	2.2
69.27413	8.3
71.05000	1.1
71.08636	40.2
77.03915	1.4
79.05499	54.0
81.03432	1.3
81.07063	68.0
82.61876	0.9
83.04979	1.4
83.08629	22.6
85.06527	3.0
85.10189	21.2
87.04487	1.2
91.05488	33.2
93.07051	60.2
95.04983	4.5
95.08613	70.3
96.08860	1.1
97.06528	3.3
97.10177	12.1
99.08104	2.2
103.05461	1.3
105.04539	2.7
105.07040	23.6
107.05009	1.8
107.08600	32.9
107.09310	1.9
108.57761	0.9
109.06515	1.2
109.10162	26.1
111.08110	2.0
111.11746	2.1
117.07043	7.9
119.06059	0.9
119.08579	17.1
119.09371	1.4
121.10148	29.0
123.11709	9.6
124.16122	0.9
129.07034	1.9
131.08574	14.8
133.10141	14.9
135.11699	18.2
137.09665	1.2
137.13240	4.9
141.15161	1.0
143.08589	0.9
145.10143	12.8
147.11685	11.3
149.13266	11.5
151.14894	3.0
157.10135	2.3
159.11717	7.2
161.13271	9.8
163.14832	5.7
165.16428	1.3
171.11749	1.1
173.13271	7.5
175.14827	5.0
177.16435	1.6
185.13232	1.0
187.14877	2.8
189.16444	2.2
199.14951	1.3
201.16380	1.3
219.21159	1.8
221.22624	1.2
233.22667	3.0
239.23770	8.0
243.21097	12.5
259.20624	1.3
261.22156	29.6
261.24854	1.7
277.21628	1.5
299.23853	2.8
313.27386	36.4
314.28046	1.3
317.24780	37.3
333.24182	1.7
473.39563	1.1
573.48846	100.0
574.49487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.01875	1.4
55.05513	20.1
55.13256	0.8
57.03440	1.6
57.07079	57.3
58.20681	0.8
65.03935	3.7
67.05508	59.4
69.07072	19.8
71.00437	0.9
71.00768	1.6
71.04983	1.8
71.08635	38.7
77.03973	0.9
79.05495	45.2
81.07062	59.8
83.08622	25.1
85.06544	3.7
85.10180	20.7
91.05487	27.9
93.07047	55.8
95.04967	4.6
95.08611	60.2
97.06511	1.3
97.10174	10.9
99.08108	1.5
99.11706	1.1
105.04535	1.5
105.07028	17.3
107.08596	30.8
107.09307	1.8
109.06488	1.2
109.10160	24.2
111.08064	1.1
111.11716	2.0
117.07016	8.1
118.69274	0.8
119.08587	16.4
121.10149	23.6
123.08068	0.9
123.11720	9.5
123.12608	1.1
124.62939	0.9
125.13308	1.1
131.08574	14.9
133.10126	12.2
135.11694	19.3
137.13242	4.2
143.08640	1.0
145.10133	9.7
147.11691	8.4
149.13272	10.0
151.14870	2.2
157.09990	1.1
159.11719	9.4
161.13280	8.3
163.14880	4.7
165.16451	0.8
173.13257	6.5
175.14844	3.6
175.50902	0.8
177.12750	1.2
177.16409	1.5
184.07059	0.9
187.14839	3.7
189.16423	1.7
199.14822	0.9
201.16454	2.2
212.57835	1.0
215.17953	1.0
217.19469	1.0
219.21175	2.4
221.22575	1.3
233.22661	2.4
239.23703	8.8
243.21088	14.2
243.23386	1.2
261.22122	29.9
277.21710	1.6
299.23758	2.4
313.23672	1.2
313.27368	32.1
317.24756	38.7
333.24292	2.4
367.28552	1.4
412.53867	0.9
440.55820	0.8
573.48798	100.0
574.49414	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81606	1.6
53.03952	11.6
55.01876	41.3
55.05517	33.1
57.03440	11.1
57.07086	5.1
57.67554	1.6
63.38309	1.7
63.50257	1.5
65.03952	5.9
65.49314	1.6
67.05510	76.0
67.88235	1.8
69.03434	3.6
69.07076	34.8
70.09345	5.3
71.04993	4.9
71.08630	3.5
73.06559	2.0
73.29720	1.5
74.43153	1.8
77.03963	2.8
79.05502	100.0
81.03427	10.6
81.07065	81.5
83.04988	17.1
83.08618	13.9
85.06542	4.5
85.10149	1.9
90.84229	1.9
91.04909	2.2
91.05489	80.1
93.07051	80.9
95.04969	21.6
95.08172	1.6
95.08615	45.3
97.06539	57.0
97.10166	10.3
99.08080	4.8
103.05481	2.1
105.04574	3.5
105.07040	66.2
107.04975	28.8
107.08607	39.4
109.06532	11.1
109.10172	13.6
111.08092	3.8
113.06015	1.8
113.12513	1.6
115.05530	3.2
117.07027	20.9
119.08596	46.4
121.06554	8.3
121.10155	18.4
123.08102	9.1
123.11728	6.6
125.09647	7.4
128.06250	3.1
129.07021	16.3
131.08578	22.1
133.06595	2.4
133.10146	33.3
135.08060	5.0
135.11694	12.8
137.09624	6.3
139.07484	2.6
141.07027	2.3
143.08563	11.7
145.06511	2.6
145.10129	27.8
147.08047	4.6
147.11705	43.0
147.12799	3.3
148.12131	2.0
149.09639	30.2
149.13295	4.6
151.11215	3.5
157.10152	6.2
159.11719	12.9
161.09656	5.5
161.13251	16.3
163.11192	19.2
165.09102	2.3
165.12752	2.4
169.10179	4.1
171.11700	28.4
173.13313	4.0
175.11215	2.6
177.12805	4.7
179.14389	4.3
183.11684	5.2
187.14902	2.5
189.11244	3.4
189.12807	10.6
197.13361	2.2
200.90366	1.8
207.13803	19.7
219.17543	1.9
227.12828	7.7
229.19556	3.8
239.18007	2.8
247.20514	3.1
251.19975	2.1
257.18991	15.1
273.18570	2.2
275.20105	72.0
276.20572	2.0
279.16019	2.2
281.17490	49.2
291.19598	3.1
293.21185	13.0
313.27435	2.4
320.33105	2.2
349.23730	34.0
349.27615	2.7
374.13742	1.8
377.23380	5.9
408.27463	1.8
451.26639	2.8
459.31119	5.3
470.87653	1.7
555.36945	37.0
561.30817	1.7
573.37805	26.3
573.48474	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	573.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
53.76779	1.7
54.25986	1.3
55.01878	50.7
55.05517	23.1
57.03440	8.0
57.07073	4.7
62.21201	1.5
65.03922	3.4
67.05508	57.4
69.03431	2.7
69.07072	27.5
69.87225	1.5
71.04975	4.3
71.08637	3.4
71.15814	3.1
74.02944	1.5
79.05497	56.7
81.03423	9.7
81.07064	54.1
83.04992	16.7
83.08623	12.7
85.10209	2.1
86.26789	1.5
91.05486	63.4
93.07050	56.0
93.07639	2.7
95.01316	4.3
95.04968	16.0
95.08607	33.5
97.06536	72.5
97.10159	4.5
99.08094	2.0
103.05447	2.1
105.04523	2.5
105.07038	59.5
107.04961	23.6
107.08595	22.8
109.06494	7.0
109.10159	13.6
111.08070	3.1
115.05480	1.5
117.07043	13.0
119.08588	33.1
121.06493	6.6
121.10148	10.8
123.04469	3.3
123.08056	7.8
123.11697	3.5
125.09620	3.0
128.06271	2.6
129.07034	9.2
131.08592	15.4
133.06441	1.9
133.10138	29.2
135.08034	5.5
135.11716	7.3
137.09608	4.8
139.07510	3.1
143.08580	9.1
145.10144	18.6
147.11693	27.9
149.09634	19.6
149.13258	4.4
151.11185	4.3
155.08575	2.8
157.10196	2.5
159.11707	10.6
161.09625	3.1
161.13271	8.5
163.11154	11.1
165.09114	3.2
169.10152	4.8
171.11694	19.7
173.13257	5.2
177.12779	4.9
179.14311	9.9
182.14731	1.6
183.11768	2.5
187.11230	3.5
189.12758	6.9
197.13313	2.1
207.13832	12.9
210.46475	2.1
227.12788	2.3
229.19508	2.5
239.17902	3.5
247.20512	4.3
250.90898	1.7
257.19119	7.8
261.22040	1.7
264.50995	1.6
275.20078	100.0
276.20615	2.1
279.16016	3.6
281.17499	38.4
293.21069	11.4
317.24799	1.7
331.22531	2.3
349.23730	24.4
377.23010	2.3
459.31012	1.8
555.36774	47.8
573.39056	3.8
573.48358	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	573.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.9
53.03950	11.5
55.01880	48.0
55.05516	32.4
57.03430	6.3
57.07077	21.6
65.03941	6.2
67.05509	73.9
68.24341	1.6
69.07072	37.4
69.29467	8.2
69.29893	7.2
71.04980	4.8
71.08636	14.9
77.03960	2.9
79.05499	87.7
81.03427	12.5
81.07064	82.2
83.04990	14.9
83.08617	15.9
85.06533	2.7
85.10177	7.5
87.04484	3.4
91.05489	75.8
93.07047	78.3
95.01358	6.6
95.04975	21.7
95.07995	1.7
95.08614	61.3
97.06538	82.5
97.10210	9.6
103.05494	2.1
105.04536	3.6
105.07035	95.7
107.04962	23.9
107.08602	29.5
109.06522	9.9
109.10171	22.8
111.08092	3.4
115.05435	3.1
117.07016	21.1
119.08587	41.3
119.09374	3.5
121.06487	3.2
121.10153	19.9
123.08077	6.4
123.11723	5.2
125.09692	2.5
129.07014	11.8
131.08580	23.9
131.41779	1.8
133.06487	2.9
133.10130	40.0
135.08078	3.4
135.11731	12.7
137.09628	4.4
137.13275	2.6
139.07596	4.6
141.06993	4.4
143.08533	8.4
145.10121	21.6
147.08055	3.1
147.11711	30.9
147.62865	1.8
149.09624	14.9
149.13275	8.5
151.11171	3.5
157.10138	3.2
159.11664	14.0
161.09688	3.1
161.13264	15.2
163.11203	10.0
163.14857	2.5
165.09109	3.2
169.10092	3.6
170.84529	2.1
171.11678	17.1
173.13243	8.7
177.12781	3.6
179.14308	12.9
187.11211	2.2
187.14745	2.3
189.12755	6.7
190.35477	1.8
197.13292	2.5
201.12639	2.3
207.13799	10.9
219.17476	3.4
229.19592	1.8
239.18028	2.0
239.23679	2.9
243.21095	4.0
246.79065	1.7
247.20657	3.9
256.26437	1.9
257.19022	7.0
261.22192	9.5
263.16461	1.9
275.20078	100.0
276.20532	2.5
277.21277	2.1
279.15936	3.5
281.17474	40.2
293.21118	8.5
305.24625	1.9
313.27332	9.7
317.21597	1.8
317.24646	9.6
349.23758	27.3
377.23132	2.7
380.77899	1.8
405.11044	2.2
463.35330	1.8
513.80634	1.7
555.36737	41.5
573.39783	5.5
573.48950	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92213	1.8
51.02375	2.0
53.03954	12.1
55.01873	25.4
55.05516	38.2
56.23769	2.0
57.03445	10.6
57.07080	24.2
65.03931	5.1
67.05510	98.2
69.03435	2.3
69.07075	36.7
70.04803	1.8
71.04998	6.3
71.08633	22.2
71.51518	2.5
76.90199	1.8
77.03934	2.2
79.05499	98.8
81.03432	14.1
81.07060	98.9
83.04985	16.6
83.08632	24.0
85.06544	4.4
85.10185	6.7
87.04459	3.5
88.07603	3.0
89.06042	3.1
91.04904	2.9
91.05485	86.9
93.07049	100.0
95.04974	29.3
95.08607	60.9
95.09066	1.5
97.06537	40.5
97.10176	13.2
99.08099	9.5
103.05458	4.4
103.14420	1.8
105.04556	4.4
105.07040	83.0
107.04964	22.7
107.08595	44.4
109.06520	15.0
109.10163	23.3
111.08089	5.3
115.05453	4.3
117.07028	24.6
119.07813	3.0
119.08594	47.0
121.06516	11.5
121.10152	22.8
123.08084	9.6
123.11720	7.5
125.09636	5.7
128.06197	4.9
129.07007	18.8
130.07864	3.0
131.08575	24.6
133.06459	4.5
133.10147	31.2
135.08067	7.0
135.11684	16.2
137.09610	4.4
139.07574	2.2
139.11174	2.3
141.06964	3.7
142.07776	2.1
143.08543	11.8
145.06503	3.2
145.10143	28.1
147.08040	3.8
147.11688	37.1
149.09645	23.3
149.13271	10.2
151.11168	4.8
153.09167	2.0
155.08647	4.4
157.10110	6.2
159.11693	17.5
161.09583	3.5
161.13277	17.0
163.11191	13.3
169.10205	2.9
171.11684	27.1
173.09593	2.2
173.13263	8.9
175.14819	3.1
177.12759	6.7
179.14316	6.7
183.11702	3.3
185.13226	2.5
187.11197	3.0
187.14856	3.7
189.11285	3.6
189.12775	6.0
201.16405	1.9
207.13797	18.1
227.12761	3.8
239.17996	2.8
239.23566	4.4
243.21039	4.3
247.20547	4.4
257.19012	12.9
261.22034	8.7
275.20074	61.0
277.21689	5.5
279.15909	5.9
281.17487	31.6
293.21103	42.4
313.27264	11.9
317.24774	9.0
349.23825	22.1
377.23227	2.6
401.19470	1.8
475.30331	5.2
481.32928	2.1
537.35291	2.5
555.36591	28.9
573.37836	46.5
573.48657	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.7
53.03956	11.2
53.04161	1.8
55.01880	29.0
55.05516	36.9
57.03442	9.9
57.07061	3.6
65.03941	5.5
67.05513	74.4
68.24152	2.0
69.03418	3.7
69.07074	28.7
71.04982	5.8
76.10043	2.0
79.05500	100.0
81.03429	10.3
81.06591	3.9
81.07062	75.1
83.05003	13.8
83.08635	16.4
85.06545	3.3
91.05489	87.5
93.07052	79.6
95.04972	24.0
95.08619	41.8
97.06541	33.7
97.10187	9.2
98.20791	3.4
103.05444	3.0
105.04530	4.8
105.07040	66.0
105.38619	1.7
107.04961	20.1
107.08608	45.2
108.95824	2.0
109.06526	12.8
109.10188	14.0
111.08087	5.0
114.81437	1.7
115.05458	3.7
117.07027	18.7
119.08592	47.5
121.06493	5.8
121.10154	15.8
122.89428	1.9
123.08055	7.8
123.11730	4.7
125.09649	11.0
126.31253	1.9
127.07584	2.6
128.06238	3.0
129.07024	18.0
131.08588	20.7
133.06451	2.0
133.10135	30.7
135.08049	5.5
135.11700	8.5
137.09637	3.9
139.11157	1.9
141.06960	3.0
143.08566	13.3
145.10144	29.0
147.08093	4.5
147.11697	42.3
149.09634	23.5
155.08591	4.1
157.10133	5.0
159.11746	12.8
161.09656	5.4
161.13264	15.3
163.11205	14.2
163.12425	2.5
165.09167	2.5
169.10100	4.0
171.11687	28.9
173.13307	6.5
175.11195	3.3
177.12813	3.8
179.14229	4.3
183.11716	4.6
185.13290	3.3
187.14862	2.1
189.11166	5.3
189.12784	10.5
193.12186	2.1
197.13240	2.0
201.12717	2.3
207.13821	19.3
210.67397	1.9
227.12793	23.6
229.19496	3.4
229.49663	1.9
239.17993	5.1
247.20500	4.2
257.18994	13.7
275.20071	77.8
281.17487	38.6
291.19647	3.2
293.21127	6.5
349.23788	28.9
377.23337	3.3
388.87564	1.8
451.26743	3.2
459.31061	3.4
475.30609	2.0
537.35712	3.1
555.36932	29.6
573.38080	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	571.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
51.15608	1.6
53.03944	13.6
55.01881	12.2
55.05263	2.1
55.05510	25.4
57.03437	30.3
57.07070	2.8
65.03938	9.0
67.05506	95.7
69.03432	2.4
69.07072	18.3
69.51403	2.9
69.51797	8.6
71.04984	4.7
71.08664	1.7
77.03919	2.9
79.05495	82.4
81.03423	14.0
81.07058	66.9
83.04993	11.9
83.08638	11.8
85.06546	20.3
91.05480	74.8
93.07046	70.8
93.07636	3.5
95.04971	72.7
95.08606	36.9
97.06551	11.5
97.10165	4.7
99.08096	2.4
103.05476	2.9
105.04514	3.5
105.07034	61.2
107.04968	19.5
107.08599	35.5
109.06519	76.0
109.10159	8.3
111.04436	1.6
111.08068	4.2
113.06011	51.1
115.05466	4.5
117.07019	25.3
119.04913	1.7
119.08579	35.9
121.06516	8.7
121.10130	13.2
123.04405	2.9
123.08059	11.3
123.11729	1.9
125.09636	1.9
128.06232	7.6
129.07010	24.5
130.07765	2.6
131.08574	29.1
133.06468	5.2
133.10127	19.2
135.08063	44.0
135.11708	12.4
137.09619	3.2
141.06941	5.3
142.07761	3.2
143.08577	20.3
145.06474	5.4
145.10129	23.5
147.08051	10.6
147.11684	25.8
149.09618	8.7
149.13261	3.9
151.11229	1.7
155.08530	4.9
157.10153	10.9
159.08014	5.4
159.11687	10.4
161.09639	15.9
161.13240	14.3
163.07492	2.4
163.11154	8.1
165.06973	2.0
165.09085	3.6
167.08591	1.7
169.10115	5.0
171.11702	21.4
173.09601	3.2
173.13243	5.8
175.11189	5.3
175.14865	2.3
177.12718	5.4
179.14294	2.1
180.26387	1.6
181.10129	3.2
183.11670	3.1
185.09612	3.0
185.13177	4.0
187.11121	2.2
187.14798	2.2
189.12692	8.2
195.11702	2.5
195.13728	2.3
199.11203	1.9
199.14848	6.8
201.12729	2.0
207.13713	12.9
211.14705	1.8
217.15916	19.5
219.13837	3.3
227.17909	3.3
233.15388	2.4
237.16428	3.6
245.19022	5.2
255.17467	5.6
269.15262	1.6
271.16937	2.4
273.18509	53.0
275.20044	2.3
279.15918	5.9
281.17538	14.7
291.19550	100.0
291.54553	1.4
309.20581	2.0
313.27417	2.1
347.22339	12.1
365.23248	3.5
374.02856	1.6
461.30588	1.9
486.89325	1.6
513.33038	2.5
553.35590	12.5
571.36603	39.4
577.54321	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.6
51.02384	2.8
53.03952	11.8
55.01876	13.4
55.05517	27.8
55.54604	1.6
57.03188	2.6
57.03444	30.1
57.07071	4.9
65.03946	9.0
67.05511	100.0
69.03418	5.3
69.07077	21.9
71.04999	4.8
71.52207	2.3
73.06580	1.6
77.03946	2.5
79.05503	94.3
81.03424	13.5
81.07064	75.5
83.04993	15.0
83.08633	11.6
85.06548	21.2
85.22661	1.3
86.93037	1.6
91.05490	89.3
93.07051	81.5
95.04977	63.7
95.08615	42.4
97.02925	2.2
97.06531	9.5
97.10182	5.2
99.03669	1.7
99.08099	1.7
102.85472	1.4
103.05518	3.6
105.04524	4.1
105.07039	72.7
107.04968	18.4
107.08610	35.1
107.13972	1.5
109.06528	67.2
109.10175	15.2
111.08109	6.6
113.06022	44.5
113.09734	1.9
115.05460	3.8
117.07026	25.6
119.04909	1.8
119.08592	41.0
120.08882	1.7
121.06516	12.0
121.10152	14.8
123.04440	2.3
123.08068	9.6
123.11729	2.0
128.06233	9.9
129.07027	25.5
130.07791	3.7
131.08578	32.0
133.06503	6.2
133.10150	22.4
135.08066	41.9
135.11693	11.8
137.09630	3.1
139.93169	1.5
141.07002	4.3
142.07803	2.7
143.08574	17.9
144.09387	2.1
145.06505	3.9
145.10139	26.7
147.08052	8.9
147.11687	26.0
149.05988	1.8
149.09622	9.4
149.13309	4.5
151.11209	3.5
155.08569	4.3
156.09367	2.4
157.10123	10.9
159.08070	4.1
159.11751	10.8
161.09657	16.5
161.13281	13.2
163.11221	7.0
165.09099	1.8
169.10141	5.3
171.11707	26.5
173.09619	3.6
173.13298	5.0
175.11215	6.0
175.14871	3.8
177.09206	2.6
177.12799	4.5
179.14316	3.5
181.10153	2.8
183.11722	4.7
185.09625	3.6
185.13289	5.1
187.11203	4.4
187.14839	2.0
189.11304	1.9
189.12694	9.1
195.11746	3.6
195.13783	2.0
197.13354	2.2
199.11176	3.5
199.14932	5.2
201.12814	2.7
207.13800	14.2
211.14850	2.5
213.12920	1.8
213.16328	1.9
217.15930	19.3
227.17854	2.9
233.15337	2.3
237.16412	2.4
245.19087	5.4
251.12801	1.8
255.17540	7.8
263.16583	2.0
263.19931	1.7
267.15903	1.7
273.18527	58.4
275.20160	3.3
279.16052	3.7
281.17529	15.3
283.20435	1.7
291.19568	95.6
307.26080	1.6
309.20529	3.9
323.09741	1.7
329.21078	3.7
333.46912	1.5
347.22186	13.9
365.23230	2.3
372.29346	1.4
410.81094	1.8
553.35443	10.7
571.36066	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.1
53.03955	9.7
55.01875	9.3
55.05270	1.6
55.05516	20.5
57.03439	25.5
57.07068	2.3
65.03938	9.1
65.97920	1.0
66.58184	1.0
66.98261	1.2
67.05508	75.0
69.03428	3.2
69.07078	12.2
69.18795	7.0
69.19222	5.4
71.04980	4.2
77.03948	2.0
79.05498	75.9
81.03417	11.2
81.07059	48.2
83.04989	11.3
83.08620	7.5
85.06546	16.9
91.05483	68.0
93.07048	53.6
95.01369	1.1
95.04976	63.2
95.08605	29.1
96.37580	1.2
97.06543	7.1
97.10174	3.6
98.46429	1.2
103.05461	2.5
105.04536	3.0
105.07039	49.1
107.04960	15.5
107.08605	27.1
109.06526	69.1
109.10154	8.5
111.08060	3.4
113.06008	42.2
115.05500	3.0
116.06252	1.4
116.65823	1.2
117.07027	21.6
119.08586	25.6
121.06529	6.0
121.10152	9.0
123.08070	8.4
125.09644	1.4
128.06238	5.1
129.07021	19.4
130.07829	2.8
131.08563	24.1
133.06494	4.5
133.10139	16.5
135.08055	43.6
135.11644	7.3
137.09625	3.9
141.06993	3.4
142.07800	1.8
143.08566	14.6
145.06490	3.3
145.10126	18.9
147.08057	10.1
147.11690	26.0
148.22090	1.4
149.09610	5.1
149.13277	4.0
155.08559	3.3
157.10141	10.5
159.08069	3.6
159.11688	10.0
161.09622	13.9
161.13243	7.4
163.11240	4.9
165.09109	1.8
165.32727	1.1
167.00450	1.3
169.10124	5.2
171.11699	19.3
173.09604	2.6
173.13264	3.7
175.11220	6.0
177.12848	6.9
179.14328	2.0
181.10083	2.0
183.11702	3.8
185.13246	3.5
187.11186	3.4
189.12727	9.6
195.11705	3.3
195.13756	2.6
197.13365	1.8
199.11201	2.7
199.14804	4.4
201.12807	2.6
205.12253	2.0
207.13763	11.2
216.29857	1.6
217.15869	22.3
223.13318	1.3
227.17995	2.5
237.16350	2.1
245.18982	4.5
255.17477	4.0
257.19174	2.1
260.34741	1.4
273.18515	51.0
275.20090	3.8
279.15787	6.2
281.17493	16.7
291.19559	100.0
309.20551	1.7
329.20947	1.8
347.22226	8.3
365.23221	3.3
553.35107	7.7
571.36273	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.9
53.03941	11.8
53.32794	1.2
53.82534	1.5
55.01876	10.6
55.05230	1.7
55.05511	30.0
57.03443	6.9
57.07074	3.4
64.25766	1.3
65.03929	6.9
67.05508	83.0
69.03426	5.8
69.06731	1.8
69.07072	21.3
71.04987	7.1
71.52283	1.7
77.03909	3.0
79.05496	97.5
81.03416	15.2
81.07062	86.5
83.04983	20.0
83.08611	13.2
85.06541	6.0
91.05486	100.0
93.07048	85.2
95.04974	25.8
95.08615	40.2
97.02892	1.7
97.06535	10.7
97.10178	6.3
99.08088	2.2
103.05467	4.0
103.15672	1.5
105.04523	4.3
105.07033	73.2
107.04960	21.1
107.08596	38.9
109.06518	13.5
109.10166	22.5
111.04456	2.9
111.08101	4.9
113.06030	1.3
115.05437	4.9
117.07021	22.6
119.04967	1.5
119.08586	36.4
121.06522	15.4
121.10142	19.3
123.04430	2.5
123.08067	9.2
123.11712	4.6
125.06010	2.2
125.09616	3.2
127.07511	3.1
128.06229	7.1
129.07021	25.2
129.66591	1.4
130.07794	2.3
131.04956	1.5
131.08563	30.2
133.06499	12.1
133.10129	38.6
135.08046	12.0
135.11713	11.7
136.41473	1.4
136.82216	1.3
137.09630	5.1
139.07539	2.0
139.11125	1.9
141.06970	4.7
141.09119	2.0
142.07780	4.1
143.08572	18.3
144.09253	2.1
145.06500	3.9
145.10121	26.9
147.08032	7.3
147.11688	31.5
149.05914	1.6
149.09631	18.8
149.13274	3.2
151.11157	12.1
155.08591	4.8
156.09370	1.5
157.10135	10.9
159.08073	6.0
159.11726	12.1
161.09621	13.4
161.13292	13.9
163.07607	1.8
163.11191	4.2
165.09171	1.6
169.10146	5.5
171.08064	1.7
171.11681	27.7
173.09544	3.4
173.13272	5.8
175.11221	7.8
177.09068	7.3
177.12703	3.4
179.10724	2.9
179.14349	1.5
181.10173	2.0
185.13266	5.5
187.11212	3.9
187.14838	2.4
189.12726	10.0
193.12242	2.0
195.11722	3.0
195.13826	2.3
197.13316	2.3
199.11134	2.9
199.14874	3.4
201.12610	1.4
201.16446	1.5
205.12180	1.6
207.13805	17.1
211.14851	2.3
213.11186	4.6
213.16473	1.6
223.13246	2.7
227.18033	4.0
237.16338	4.1
239.17751	1.5
245.19003	9.4
251.12814	6.3
253.14354	6.0
255.17633	6.4
263.20114	4.2
269.13809	2.0
273.18509	57.8
275.20123	3.0
281.17453	18.1
283.20676	3.0
285.14996	1.7
285.22046	6.8
291.19547	42.5
301.21588	3.6
309.20673	5.5
347.22183	16.1
365.23254	6.4
451.89536	1.5
459.27261	2.5
461.30099	1.7
475.27103	2.9
479.31897	3.2
553.35089	14.7
571.36261	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80481	1.3
55.24745	1.4
64.33109	1.4
65.16748	1.7
69.03430	2.0
71.50006	1.4
90.42991	1.5
101.00880	16.7
109.02931	1.9
113.00899	4.2
115.02482	2.6
117.03391	3.6
119.01923	23.9
119.04922	3.1
127.02421	3.2
127.03870	1.6
131.01941	11.5
133.03481	5.0
139.02348	1.9
143.01907	30.2
145.03625	10.4
147.04399	8.6
149.02957	2.0
155.01903	19.3
157.03511	11.1
159.05025	3.2
161.02972	23.3
165.19441	1.5
167.01917	12.3
168.99823	3.6
169.03510	5.5
171.01425	3.7
171.05060	3.2
173.02972	21.4
175.04478	2.2
177.05486	8.5
178.05826	2.4
179.01952	4.5
181.03452	3.4
183.05011	3.7
185.02960	43.5
187.00874	3.0
187.04582	4.7
191.04025	3.4
197.02960	18.5
199.00926	2.4
199.04539	3.1
201.02400	2.4
203.04068	13.1
209.03012	2.0
215.00418	3.8
215.04088	8.6
217.02029	3.1
219.03459	4.1
221.05034	2.4
227.04048	15.3
229.01965	4.1
231.03522	3.0
235.06569	2.6
245.05092	100.0
246.05402	3.8
247.02921	3.9
253.02066	3.7
257.05170	7.2
259.03067	1.9
263.06192	10.7
271.03046	5.6
275.02881	2.6
275.06143	13.0
289.04187	13.3
293.07343	2.1
299.02533	2.1
301.04105	5.3
305.07166	10.8
307.05212	9.4
315.32727	1.5
319.05078	6.4
331.05051	6.5
335.08163	4.4
349.06177	10.2
359.04431	3.5
365.09293	13.4
367.83188	1.5
373.06119	8.7
391.07266	20.3
409.08112	3.1
427.75308	1.5
509.11264	1.5
511.11685	3.0
539.10840	2.6
553.12329	2.8
571.13782	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	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03704	1.0
53.03937	2.1
66.25146	1.0
69.03416	2.5
70.06575	1.0
71.04969	1.4
71.51672	1.9
79.05476	2.9
81.03398	1.0
85.02908	7.7
91.05476	5.9
93.07018	2.3
97.02885	2.9
103.05455	3.6
105.07030	3.6
107.04949	7.4
117.06974	2.0
119.04965	2.6
121.06500	5.7
123.04423	2.9
124.05279	1.5
127.03919	1.2
128.06169	1.1
129.06990	9.6
130.20789	1.0
131.04901	3.7
131.08585	7.4
133.06496	2.2
135.08133	1.5
137.05981	7.0
141.06970	3.0
145.06470	2.5
146.07257	1.8
147.04353	1.1
148.05185	1.2
149.05975	2.3
151.03876	1.7
151.07539	7.4
153.05438	3.6
153.06767	1.3
157.06485	9.2
158.07263	1.8
159.08044	2.8
161.05986	12.2
161.09601	4.2
163.07552	6.5
165.07042	1.5
165.09105	3.4
166.06238	2.7
167.07053	30.5
167.08405	1.7
169.06471	2.3
170.07312	1.0
174.06735	11.3
175.07542	6.8
177.05489	2.0
177.09114	4.9
179.08539	1.3
181.08598	32.5
182.07269	1.4
186.06779	2.2
187.07500	2.0
187.13884	1.0
189.09120	40.4
191.07056	2.0
191.10664	2.1
191.13895	1.0
193.08621	1.8
195.08000	3.2
197.09573	2.3
201.07492	1.1
201.09071	5.9
203.10745	1.2
207.08228	2.1
207.10114	6.8
208.08842	1.1
210.06696	1.1
219.10170	60.5
221.05777	1.9
223.07468	2.0
223.11214	1.5
225.09143	5.9
240.07768	1.1
242.09380	1.0
251.07112	1.9
251.10629	1.6
253.08627	4.7
255.10236	1.7
257.11737	6.8
267.10266	1.4
270.08853	2.1
271.13196	1.2
279.10278	2.2
283.09555	2.9
283.13129	3.0
285.11209	10.6
297.11240	1.9
302.11606	1.7
305.13693	1.1
311.12790	3.4
315.12256	6.8
317.13895	15.2
329.13535	2.2
331.15494	2.5
343.15387	22.5
346.19135	1.1
361.16461	100.0
362.16910	2.1
400.11591	1.1
484.20505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
57.03430	8.0
65.03955	2.7
66.70640	2.4
69.03427	4.5
69.07083	2.8
70.06604	6.3
71.02769	2.9
71.03094	4.6
71.04996	55.2
73.02908	2.9
73.20236	3.2
75.04465	3.4
81.03432	3.0
81.07037	3.3
82.06534	2.4
83.04977	5.9
84.08139	3.3
85.02910	67.8
85.70760	2.4
87.04479	3.3
91.05482	100.0
97.02887	8.8
101.81629	2.7
107.05001	4.0
119.08570	3.1
121.06500	3.1
123.04420	4.3
129.05505	20.4
132.08037	2.9
137.38182	2.5
139.03813	3.9
145.06410	3.0
147.06491	8.0
151.03932	6.1
154.04977	9.5
167.03331	3.2
167.06989	5.4
175.07516	3.0
177.05461	3.0
269.07999	5.1
272.19934	7.1
311.09180	4.3
314.12192	3.2
334.23712	21.5
337.10727	4.8
421.10086	2.6
438.36340	3.0
570.33008	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	569.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.3
51.02367	2.0
53.03952	10.1
55.01864	2.6
55.05515	19.3
57.03435	2.5
57.07061	4.4
61.75715	0.9
65.03938	5.4
67.05508	77.3
69.03423	1.6
69.07072	18.4
69.73712	0.9
71.04987	3.0
71.08614	2.3
71.51447	1.0
71.51870	1.5
74.93444	0.9
77.03921	1.5
79.05498	86.7
81.03434	5.8
81.07063	57.2
83.04979	7.1
83.08625	10.2
84.67291	1.0
85.06542	2.8
89.06015	1.3
91.05486	52.2
93.07049	100.0
94.07377	1.2
95.04980	16.0
95.08610	42.9
97.06539	4.7
97.10165	3.2
99.08078	1.2
99.22845	1.1
101.09629	1.0
103.05467	1.0
105.04510	3.3
105.07035	30.0
107.04980	1.7
107.07873	2.2
107.08598	39.5
109.06555	4.9
109.10156	16.2
111.08069	1.1
117.07022	10.1
119.08590	20.8
121.06512	1.8
121.10153	42.0
121.11039	2.1
123.08089	2.2
123.11723	3.1
125.09684	1.7
128.06236	1.5
129.07011	5.4
131.08574	14.8
133.10129	18.9
135.08070	3.9
135.11697	14.1
137.09601	2.3
143.08572	6.4
145.10130	16.3
147.11728	7.8
149.09567	1.6
149.13222	3.1
151.11229	1.5
157.10107	7.2
159.11702	6.8
161.13275	3.4
163.14841	1.1
169.10144	2.6
171.11758	5.9
173.13239	4.6
175.14806	2.8
176.01054	0.9
183.11707	1.9
187.14868	2.3
189.12781	1.2
189.16422	4.0
193.12349	1.1
196.12309	0.9
197.13214	1.8
199.14867	6.9
207.17392	1.5
209.13158	1.0
217.15897	3.4
235.16930	24.4
243.21126	1.8
257.19064	1.6
261.22095	3.4
291.19659	1.5
293.21570	1.0
317.24911	1.2
343.73010	0.9
477.37369	1.5
569.42035	65.1
569.56622	2.4
570.42548	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	569.2936
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
53.61603	0.3
55.05513	0.5
60.23407	0.4
67.05516	1.0
69.07064	0.9
69.28127	3.2
79.05481	0.7
81.03418	0.8
81.07061	1.4
83.08634	0.6
85.02904	0.5
90.31344	0.4
91.05487	1.3
92.96945	0.4
93.07060	0.9
95.04980	0.6
97.06600	0.4
98.20672	0.7
105.07031	0.5
107.08620	0.7
109.10152	0.6
114.10307	0.6
119.08604	0.4
133.10173	0.6
137.05925	0.4
141.07042	0.4
147.11763	0.5
149.09637	0.4
173.06049	1.0
182.74606	0.3
185.04291	0.6
203.05327	1.1
259.07965	1.0
291.90085	0.4
322.97147	0.4
331.09930	0.8
407.24197	1.0
457.20447	2.0
471.22049	2.9
487.21378	0.7
551.30273	0.5
569.29364	100.0
570.29907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.8
53.03952	11.1
55.01872	3.4
55.05516	24.6
57.03431	2.8
57.07076	5.9
60.03980	1.1
60.04300	1.0
65.03954	6.7
67.05508	86.0
69.07073	20.2
71.04985	3.3
71.08658	1.4
71.51896	1.2
77.03959	1.7
79.05497	94.8
81.03420	7.5
81.07062	65.9
83.04995	7.3
83.08617	10.0
85.06554	3.0
87.04475	3.3
89.06055	2.5
91.04907	2.7
91.05487	66.2
93.07050	100.0
95.04977	16.3
95.08613	46.7
97.06528	4.7
97.10181	2.9
99.08104	1.4
99.65727	1.1
103.05413	2.0
105.04528	4.9
105.07033	31.8
107.04977	1.8
107.08604	38.5
109.06543	3.7
109.10164	16.4
110.65537	1.1
111.08080	2.3
113.09668	1.1
117.07010	12.4
119.08584	27.2
121.06496	2.4
121.10150	40.2
123.08089	2.5
123.11735	4.1
125.09668	1.1
125.50384	1.3
128.06187	1.4
129.06960	6.7
130.07803	1.3
131.08595	17.6
133.10135	22.5
135.08090	3.4
135.11708	17.3
137.09602	1.5
143.08594	5.1
145.10141	12.7
147.11732	8.5
149.09647	2.1
149.13312	4.2
153.12697	1.3
154.80481	1.1
155.08591	2.2
157.10135	6.8
159.11707	6.0
161.13326	4.7
163.14848	1.4
167.08568	2.0
169.10159	3.0
171.11699	5.9
173.13194	6.4
175.14835	3.8
181.10155	1.6
183.11696	1.7
185.13199	1.5
187.14865	1.9
189.16447	4.5
197.13344	1.5
199.14841	7.2
207.12434	1.2
217.16028	2.7
235.16954	23.7
261.22244	2.5
273.55234	1.1
309.20477	1.4
477.37039	1.8
495.38974	1.5
569.41644	96.5
570.41522	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	568.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.05518	11.1
57.07083	9.8
59.04996	2.1
65.03935	3.3
67.05508	17.4
69.03435	2.4
69.07070	15.8
69.24161	14.2
70.06583	2.1
79.05495	22.5
80.06271	3.3
81.07061	34.8
83.08605	6.6
85.06532	3.7
85.10193	2.6
86.24087	1.7
91.05479	44.1
92.06244	3.3
93.07046	47.7
94.07805	2.1
95.04379	2.4
95.04977	36.7
95.08611	27.7
97.06537	2.5
97.10233	2.0
98.20779	3.5
99.82523	1.7
103.05456	3.2
105.07037	76.3
106.07814	4.8
107.08600	41.7
109.06525	4.3
109.10162	20.4
110.10571	2.5
115.05454	5.0
116.06261	3.3
117.07022	25.5
119.08582	100.0
120.09356	7.4
121.06506	2.5
121.10137	29.5
123.08064	16.5
123.11707	4.8
125.09591	2.7
128.06230	8.8
129.07016	23.1
130.07838	9.2
131.08574	55.1
132.09363	10.6
133.10138	51.2
134.10913	4.5
135.08032	6.3
135.11684	18.1
137.00766	1.9
137.09583	5.3
138.10362	8.4
141.07018	6.5
142.07811	19.6
143.08568	40.5
144.09334	14.8
145.10127	84.8
146.10873	5.5
147.08047	2.0
147.11703	24.1
148.12424	2.3
149.09596	6.5
149.13266	3.8
151.11211	2.8
153.06967	2.9
155.08569	16.6
156.09361	15.1
157.10132	44.2
158.10936	12.3
159.11702	33.7
160.12428	2.6
161.09608	8.0
161.13237	6.3
163.11151	2.6
166.07784	3.2
167.08521	9.3
168.09343	5.2
169.10133	29.5
170.10889	8.6
171.11697	33.5
172.12459	6.4
173.13268	28.1
175.11150	2.1
175.14841	17.1
177.12746	5.2
179.08534	9.9
180.09218	3.2
181.10150	17.4
182.10905	7.4
183.11705	25.3
184.12437	4.5
185.13277	21.6
186.14058	7.2
187.11142	3.0
187.14850	12.8
189.12743	3.9
191.14310	11.3
192.15068	1.8
193.10106	9.6
194.10925	7.0
195.11702	17.4
196.12503	8.4
197.13245	27.3
198.13986	7.2
199.14812	12.6
201.12665	3.5
201.16394	7.2
203.14316	2.9
204.14967	1.9
206.10954	4.0
207.11732	11.8
208.12497	5.7
209.13249	20.6
210.13997	2.3
211.14839	18.2
213.16365	6.9
215.14256	2.7
217.15900	5.9
219.17482	2.8
220.12489	2.8
221.13251	7.2
222.14131	3.2
223.14838	9.9
224.15643	4.9
225.16431	9.2
227.17876	2.3
233.13206	2.3
234.14182	2.2
235.14784	4.6
237.16376	7.7
239.18086	4.5
241.19519	2.6
246.13866	1.9
247.14908	3.9
249.16414	4.1
251.17989	3.0
253.19432	2.6
257.18851	4.2
259.20612	3.1
260.15613	1.8
261.16339	2.3
263.17929	5.1
265.19345	4.5
270.19632	2.3
275.17905	3.8
277.19431	5.3
279.21039	4.5
283.20535	4.5
284.29364	3.0
285.22220	2.1
293.22464	1.8
297.22125	2.3
305.22559	3.8
311.29413	2.0
321.22165	2.1
323.23700	7.3
337.24838	1.8
338.26050	41.7
430.32309	14.1
476.36667	13.7
488.92917	1.8
527.95233	1.7
568.42963	28.8
568.56451	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.6
51.60427	1.0
53.03938	4.1
54.84615	1.2
55.05518	11.1
57.07077	7.5
59.04977	1.5
65.03935	3.4
67.05505	18.5
69.03395	2.9
69.07069	13.3
70.09647	3.8
71.04988	1.2
75.51726	1.0
77.03935	2.2
79.05494	24.9
80.06280	2.9
81.07061	38.0
83.05009	1.5
83.08618	4.9
85.06534	3.1
91.05479	43.0
92.06300	2.6
93.07049	51.4
94.07832	2.5
94.81107	1.1
95.04975	38.7
95.08614	24.8
95.09184	0.8
97.06528	2.8
97.10168	1.4
103.05460	3.8
105.04514	1.6
105.07034	89.6
106.07822	4.6
107.08600	49.4
107.12787	1.0
109.06541	5.6
109.10154	20.8
111.08096	1.8
115.05486	4.8
116.06240	1.5
117.07018	25.0
118.07786	3.6
119.08585	100.0
120.09380	7.6
121.06510	3.0
121.09324	2.2
121.10145	31.9
122.10933	1.3
123.08067	16.6
123.11688	6.3
125.09678	1.5
128.06227	9.8
129.07018	17.4
130.07799	10.0
131.08571	52.6
132.09363	12.5
133.06418	1.4
133.10132	54.5
134.10941	6.5
135.08090	6.5
135.11700	16.7
137.09593	3.6
138.10419	9.6
139.11179	2.4
140.24677	1.1
141.06989	7.2
141.94536	1.1
142.07784	16.6
142.30043	1.2
143.08563	41.7
144.09361	12.4
145.06401	1.7
145.10126	93.9
146.10947	5.8
147.08075	3.1
147.11694	24.8
148.12460	1.4
149.09628	5.0
149.13249	3.6
151.11171	2.3
153.06868	1.8
154.07750	2.6
155.08559	17.3
156.09351	16.1
157.10139	50.7
158.10915	11.2
159.08099	1.2
159.11694	42.2
160.12476	3.6
161.09625	5.7
161.13210	8.1
163.11189	4.0
165.07028	5.8
166.07733	3.0
167.08533	8.6
168.09312	7.2
169.10133	28.5
170.10919	8.2
171.11697	36.4
172.12451	7.6
173.09694	2.1
173.13254	26.8
174.13963	1.8
175.14848	22.2
177.12721	5.4
179.08575	9.5
180.09300	3.8
181.10132	15.5
182.10936	8.6
183.11694	25.6
184.12497	4.9
185.13255	28.9
186.14029	8.7
187.11098	1.5
187.14827	14.6
189.12773	4.7
189.16254	1.3
191.08472	1.7
191.14301	11.7
192.09355	1.9
192.15088	2.7
193.10176	8.6
194.10884	6.9
195.11696	20.2
196.12491	7.2
197.13269	24.6
198.14015	6.5
199.14825	12.4
200.15579	1.6
201.12741	4.4
201.16396	6.2
203.14276	4.3
204.15141	1.2
205.10210	2.3
205.15785	2.2
206.10913	4.0
207.11685	12.2
208.12408	3.7
209.13275	27.0
210.13994	3.1
211.14827	18.1
212.15393	1.7
213.12871	1.8
213.16460	6.4
215.14366	2.3
217.15866	5.3
219.11690	4.3
219.17525	2.6
220.12500	3.2
221.13216	9.6
222.14088	2.2
223.14793	9.9
224.15640	4.5
225.16357	6.3
226.17197	2.2
227.17909	1.8
231.17381	2.4
232.12584	2.0
233.13354	4.1
234.14015	1.3
235.14809	7.4
236.15527	2.7
237.16422	7.9
238.17235	1.9
239.17982	4.8
241.19650	2.7
243.17526	1.5
244.12587	1.6
245.13261	2.0
246.14113	1.8
247.14944	3.2
248.15797	1.4
249.16399	6.1
250.17133	1.6
251.18031	5.1
252.18742	1.5
253.19574	1.7
254.20448	1.4
255.17447	1.9
257.19046	2.6
259.20288	2.2
261.16324	3.0
263.17972	5.6
265.19565	4.6
267.21063	1.7
269.18942	1.4
271.20593	1.6
272.21356	2.0
273.16464	2.1
275.17831	3.7
277.19543	3.4
281.18823	1.5
283.20551	3.9
285.22079	3.1
289.19498	1.6
297.22202	2.7
305.22546	3.2
311.29404	1.4
320.24847	1.4
323.23706	9.1
331.24179	1.9
333.26163	1.4
336.24490	1.7
337.25046	2.7
338.26035	41.4
349.25333	2.5
351.26553	1.9
375.26764	2.0
415.29965	1.8
420.30267	1.8
430.32343	13.1
441.27939	1.3
458.35526	2.3
476.30188	1.9
476.36490	16.1
550.41705	2.0
568.35004	1.7
568.42780	25.8
568.56573	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	567.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.5
55.05508	24.1
55.84392	4.8
57.07065	10.8
60.96999	5.5
62.23734	5.9
64.36283	5.9
65.03941	5.8
67.05506	62.6
69.03462	8.4
69.07080	40.1
69.75573	20.8
69.75980	11.2
69.76222	6.8
70.06564	9.5
79.05517	37.7
81.07073	59.7
83.08622	12.8
88.07636	7.3
91.05489	65.3
92.55323	6.1
93.07049	77.3
95.04964	16.2
95.08617	88.5
102.09174	7.7
105.07038	76.0
107.04960	9.0
107.07975	8.7
107.08611	98.1
109.06512	6.6
109.10168	59.4
117.07005	20.7
119.08586	100.0
121.10162	81.4
123.08074	6.2
123.11764	28.7
128.06252	8.8
129.06985	15.4
130.07799	5.9
131.08592	38.6
133.10135	78.5
135.08104	10.9
135.11703	82.8
142.07770	15.3
143.08572	26.3
145.10123	58.8
147.11697	31.5
149.13283	10.5
153.07008	6.1
155.08565	14.1
156.09305	12.5
157.10156	50.1
159.11726	37.4
161.13306	12.9
163.11128	6.5
163.14835	7.1
169.10149	23.7
171.11745	39.6
173.13281	23.1
175.14868	46.4
181.10143	14.0
182.10976	8.5
183.11702	19.9
185.09760	7.1
185.13258	23.4
187.14813	25.1
189.16408	8.1
193.10225	6.8
195.11697	23.2
197.13287	20.5
199.14882	7.2
201.16396	18.3
207.11705	10.6
209.13336	11.5
211.14911	15.2
213.16476	15.8
215.17801	6.7
221.13202	14.3
223.14845	16.8
225.16557	10.0
232.12653	6.4
233.15417	9.6
235.14893	11.5
237.16458	7.7
249.16394	10.2
259.14789	6.3
261.16501	7.6
263.17865	8.1
284.29468	15.7
285.29578	13.5
309.28033	10.2
310.28467	6.9
373.25589	5.8
493.96912	6.0
539.42401	7.5
549.40692	29.3
567.41937	91.3
567.55371	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01884	2.7
55.05515	13.3
57.07081	12.1
59.04983	2.3
65.03944	2.7
67.05507	28.9
68.19701	1.6
69.03436	10.1
69.07073	15.2
69.81594	2.8
69.81989	7.0
71.08639	3.2
77.03955	2.5
79.05494	26.7
81.07061	45.5
83.08630	8.2
85.06557	3.3
91.05479	47.0
93.07046	62.8
95.04981	7.3
95.08605	44.8
97.06519	2.2
99.90562	1.6
103.05484	4.0
105.04574	2.0
105.07034	85.2
107.08600	50.4
109.06539	6.7
109.10165	28.8
111.08074	2.8
115.05455	4.4
117.07005	16.5
117.69169	1.8
119.08591	82.6
121.06484	5.1
121.10148	52.0
123.08075	15.9
123.11724	15.8
125.06016	3.5
128.06216	10.3
129.07013	12.2
130.07788	7.4
131.08577	30.6
133.06468	2.8
133.10136	43.5
135.08041	12.4
135.11684	19.3
137.09631	15.1
139.07535	2.7
141.07022	6.2
142.07794	18.0
143.08566	30.2
144.09354	8.9
145.10127	60.8
146.10944	2.3
147.08051	31.2
147.11688	15.2
149.09714	3.1
151.07532	16.2
153.06969	2.0
155.08556	8.7
156.09361	13.0
157.10130	39.9
157.11342	3.4
158.10861	5.0
159.11681	27.9
161.09645	5.3
161.13277	10.1
163.11183	7.8
165.07088	3.4
165.09119	56.9
166.07724	2.0
167.08609	4.8
168.09373	3.4
169.10139	20.3
170.10951	5.2
171.11708	19.7
173.09647	4.1
173.13257	15.7
175.14847	12.6
179.08595	5.6
180.09352	3.1
181.10164	7.6
181.12268	8.1
182.10971	5.3
183.11702	19.0
184.12500	2.5
185.13283	10.8
187.11320	2.4
187.14859	8.0
189.12794	3.8
191.14297	3.1
193.10199	4.3
194.10783	2.5
195.11739	12.0
196.12502	3.6
197.13284	11.7
199.14877	6.7
201.12581	2.6
201.16454	4.1
203.14334	17.1
205.10202	3.2
206.10904	3.7
207.11836	4.2
207.13866	7.5
208.12515	4.5
209.13303	11.7
209.15082	2.1
210.14066	2.4
211.14844	9.8
213.16405	4.6
215.14220	2.0
215.17952	2.2
219.11674	2.8
220.12524	2.7
221.13341	6.7
221.15363	100.0
222.14015	2.3
222.15909	2.3
223.14876	7.6
225.16376	4.4
227.17970	5.0
233.15422	2.6
235.14896	4.3
237.16452	8.2
239.17906	3.9
247.14877	3.4
251.17896	2.1
259.27991	2.1
261.16516	1.9
263.17935	3.2
267.21060	4.2
277.19437	2.8
279.21231	2.2
284.29453	3.3
287.20197	3.6
293.22525	2.4
299.20270	2.5
320.49219	2.1
325.21799	2.3
350.24677	2.0
353.24719	2.0
359.27420	8.9
378.98050	2.0
387.30676	2.5
445.31116	2.3
475.35425	11.4
487.35675	5.9
511.35489	2.2
549.40833	3.9
567.42010	92.1
568.42041	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.05513	16.1
57.07079	12.8
59.05000	4.2
65.03947	3.3
67.05507	20.7
69.03432	7.6
69.07069	13.4
71.08636	4.2
79.05495	26.2
81.07059	44.6
83.04949	2.9
83.08626	6.1
85.06526	2.9
89.06033	8.5
91.05486	42.1
93.07047	54.5
93.25307	1.5
95.04964	7.2
95.08057	3.1
95.08611	36.8
97.06525	3.2
103.05495	3.5
105.07037	77.9
107.08601	44.5
109.06516	7.1
109.10158	28.5
115.05462	4.8
117.07031	13.1
119.08585	73.0
120.76590	2.1
121.06498	3.8
121.10156	48.4
121.11035	2.5
123.08077	14.2
123.11728	12.0
125.05968	3.0
128.06255	7.7
129.07005	11.3
130.07788	5.8
131.08563	33.3
133.08601	3.0
133.10138	41.5
135.08040	8.5
135.11688	18.0
137.08228	1.7
137.09644	13.6
141.06975	4.5
142.07785	14.8
143.08569	26.0
144.09357	3.3
145.10118	53.9
147.08043	22.4
147.11716	13.9
149.09673	4.4
149.13292	4.9
151.07594	10.2
153.06976	2.7
153.09149	2.5
154.07767	3.6
155.08559	10.5
156.09363	8.1
157.10143	36.9
158.10910	3.3
159.11711	23.4
161.09669	3.8
161.13266	9.0
163.11183	6.1
165.07045	3.6
165.09123	37.2
167.08595	5.4
168.09375	5.0
169.10146	21.6
170.10936	2.5
171.11703	18.6
173.09633	3.1
173.13263	15.2
175.11235	2.0
175.14828	15.5
177.12781	1.6
179.08615	5.9
180.09492	1.9
181.10225	9.0
181.12198	9.0
182.10965	5.9
183.11696	15.5
185.13225	12.6
187.14806	10.0
188.11894	3.0
189.12770	3.1
191.14342	3.9
192.09314	2.5
193.10124	4.8
194.10931	3.9
195.11667	12.1
196.12605	2.6
197.13213	12.9
199.11081	2.7
199.14836	7.7
201.16370	5.4
203.14302	13.3
206.10928	4.1
207.11716	6.0
207.13869	7.0
208.12469	2.6
209.13322	10.4
209.15089	2.3
211.14830	14.1
213.16412	4.0
217.62048	2.0
218.10919	1.9
219.11711	3.0
221.13304	6.3
221.15359	96.7
223.14862	6.2
225.16428	3.1
233.13313	3.5
233.15489	2.3
235.14944	5.5
237.16409	6.8
240.56349	1.9
245.13306	2.5
247.14844	2.3
247.17043	3.2
249.16527	1.9
249.22758	1.8
251.18138	3.1
263.17960	4.0
265.19516	2.2
267.21027	2.3
273.18796	1.9
277.19720	2.2
286.19388	2.6
287.20117	2.7
291.21039	2.9
303.20914	3.1
333.25723	2.2
352.24097	2.4
359.27429	11.8
387.30670	2.6
445.30917	2.6
475.35788	18.5
487.35867	6.3
511.24066	2.0
549.40814	4.9
567.41980	100.0
568.42682	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	567.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03934	6.5
55.05517	10.2
57.07067	7.1
59.04991	1.8
65.03944	3.9
67.05513	22.5
69.03429	4.3
69.07068	10.9
70.97648	2.8
70.97985	2.9
74.72646	1.6
79.05488	22.4
81.07061	35.6
83.04998	3.7
83.08607	5.2
85.06528	2.2
91.05489	32.4
93.07044	53.9
95.04988	5.4
95.08611	36.8
97.06544	3.9
103.05447	1.8
105.07039	63.2
107.08595	35.6
109.06531	5.1
109.10162	23.9
115.05479	2.8
117.07024	15.0
119.08588	72.3
121.06522	4.1
121.10152	43.0
121.72996	2.0
123.08098	15.6
123.11724	13.7
125.05957	3.7
128.06226	6.4
129.06972	8.4
130.07820	4.4
131.08585	25.6
133.10141	35.0
135.08095	8.8
135.11705	17.9
137.09634	12.6
141.07013	4.3
142.07784	10.5
143.08574	27.2
144.09331	3.0
145.10133	47.4
147.08058	19.5
147.11711	14.5
149.13315	2.3
151.07535	13.4
151.21237	1.6
153.07014	2.1
155.08577	7.7
156.09380	8.5
157.10126	33.3
159.08115	3.0
159.11697	22.1
161.09647	3.4
161.13303	9.0
163.11174	6.1
165.07069	2.9
165.09134	41.4
166.07767	1.7
166.14047	1.6
167.08551	3.8
168.09360	3.4
169.10161	17.1
170.10962	4.1
171.11678	17.6
173.09660	2.1
173.13283	12.7
175.14833	10.8
179.08585	4.4
180.09325	2.2
181.10210	8.0
181.12216	6.0
182.10909	3.6
183.11678	13.1
185.13281	9.5
187.14864	7.2
189.12802	3.5
193.10149	4.8
194.10939	3.6
195.11732	12.6
195.13342	2.3
196.12456	2.8
197.13280	8.6
197.43567	1.8
199.11143	2.1
199.14861	7.7
201.16351	2.8
203.14357	14.9
206.10951	3.4
207.11731	4.2
207.13795	4.6
207.95860	1.8
208.12567	4.3
209.13275	10.3
209.15074	1.9
210.14073	2.6
211.14825	8.2
213.16467	4.6
218.77040	1.8
219.11752	1.9
221.13397	4.5
221.15363	100.0
222.15717	2.6
223.14937	8.3
225.16296	2.4
227.17973	3.1
231.11884	2.0
233.13300	2.3
234.14008	1.9
235.14816	4.1
237.16435	6.5
245.13283	2.3
247.14803	2.0
247.17044	3.2
249.16313	3.9
251.17856	3.0
261.16409	3.1
265.19626	2.8
267.21030	2.5
279.21036	2.5
284.29474	11.6
286.19244	2.2
287.19977	2.8
312.20874	2.2
333.25931	2.1
352.23770	2.0
353.24716	4.5
359.27527	9.5
373.47961	1.8
387.30771	3.2
470.55948	2.0
475.35858	11.6
487.35898	6.2
549.40656	5.2
567.41968	91.5
568.42560	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08292	2.1
51.02388	2.4
51.51368	2.3
53.03954	5.6
55.05518	21.3
57.07088	14.2
65.03941	4.8
67.05514	34.7
69.03433	8.4
69.07070	19.6
71.04996	3.1
71.08614	3.7
71.51395	2.5
79.05502	32.0
81.07064	62.9
83.04980	4.5
83.08623	10.8
85.06549	5.4
88.07655	2.9
90.32728	2.3
91.05489	53.4
93.07052	73.2
95.04961	10.9
95.08619	49.8
97.06539	7.6
103.05468	5.5
103.64770	2.5
105.04551	2.7
105.07043	100.0
107.04975	3.1
107.08602	58.1
109.06522	8.7
109.10166	51.0
111.08044	4.1
115.05450	5.3
116.06225	2.4
116.92667	2.4
117.07036	20.8
119.08595	95.7
121.06519	5.5
121.09328	4.9
121.10158	68.5
121.11042	3.9
123.08077	12.4
123.11729	19.5
125.06034	4.6
125.09634	2.6
128.06232	10.8
129.07037	16.7
130.07770	12.4
131.08588	40.2
133.10141	55.2
135.08052	9.9
135.11699	27.6
137.09622	13.5
141.07002	8.0
142.07825	14.9
143.08565	34.5
144.09357	7.6
145.10133	69.8
147.08063	19.1
147.11705	26.4
149.09659	2.8
149.13280	5.8
151.07550	9.3
153.07045	5.0
154.07761	4.0
155.08585	16.5
155.10678	2.5
156.09276	13.0
157.10153	49.2
158.10966	5.9
159.08092	2.7
159.11711	35.9
161.09669	2.8
161.13252	12.1
163.11220	11.6
165.07005	3.0
165.09149	35.2
167.08583	5.7
168.09377	4.1
169.10129	28.5
170.10945	7.0
171.11699	26.4
172.12225	3.0
173.09737	3.6
173.13266	19.0
175.11287	6.0
175.14848	21.8
179.08598	5.5
180.09419	4.4
181.10109	12.3
181.12262	7.2
182.10924	6.3
183.11697	19.3
185.13264	16.9
187.11185	2.5
187.14819	15.5
189.12730	2.8
189.16479	3.4
191.10680	3.4
191.14314	3.5
193.10165	7.0
194.10881	7.8
195.11687	19.4
196.12578	3.2
197.13249	23.2
199.14865	8.6
201.16327	5.0
203.14246	15.3
205.10248	4.0
206.10959	4.8
207.11726	7.2
207.13846	7.7
208.12491	7.5
209.13322	14.7
211.11295	2.6
211.14832	13.6
213.16426	6.7
219.11688	3.2
221.13280	9.0
221.15369	80.6
223.14833	9.8
225.16423	8.9
231.11850	3.1
233.13161	5.4
235.14864	6.6
237.16405	10.7
239.17961	5.1
247.14862	3.9
249.16412	5.3
251.18126	3.3
253.19530	3.8
257.13184	3.0
259.14804	3.2
261.16513	3.4
263.17960	2.9
265.19513	4.0
267.21002	6.4
299.20438	3.6
337.11453	2.6
353.24710	3.3
357.25784	3.1
359.27255	6.3
387.30984	2.7
445.31039	3.9
475.35727	6.7
487.35507	5.8
539.88458	2.5
549.40637	9.6
567.41962	98.9
567.55725	7.8
568.42572	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	567.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34135	1.0
51.02363	1.1
53.03954	8.2
55.01867	3.1
55.05270	1.4
55.05518	21.4
57.03442	5.8
57.07065	2.6
59.05003	3.3
65.03933	3.9
66.45432	1.0
67.05510	100.0
67.09063	1.0
68.05850	1.3
69.03433	17.0
69.07067	10.7
71.01353	1.3
71.04998	5.4
71.06515	1.3
71.06844	1.5
79.05070	1.9
79.05502	28.7
81.03425	52.4
81.07063	47.6
83.04975	11.5
83.08630	11.5
85.02919	7.2
85.06549	4.3
87.04448	1.1
91.05492	25.0
93.06476	2.1
93.07049	28.0
95.04983	6.0
95.08613	14.6
97.02905	9.0
97.06532	5.6
97.10178	7.2
99.04465	4.1
99.08084	1.7
103.05489	1.3
105.07032	11.4
107.04965	5.1
107.08611	16.4
109.02885	12.4
109.06558	2.3
109.10165	55.3
111.04449	9.8
111.08092	4.9
115.05505	1.0
117.07053	6.8
119.08614	8.8
121.06516	3.4
121.10167	10.6
123.04482	2.2
123.11711	2.6
125.09628	5.9
127.03931	8.8
129.07013	3.9
131.04939	1.7
131.08594	9.2
133.06525	2.2
133.10129	7.0
135.08102	2.7
135.11699	3.8
137.09589	2.6
139.11206	1.7
143.08507	2.0
145.06442	1.6
145.10147	3.1
147.08110	1.5
147.11676	6.5
149.09724	1.2
149.13274	9.8
151.11214	1.3
153.09142	1.8
155.10655	3.6
159.11710	7.2
161.05908	1.3
165.12787	2.3
167.08487	1.1
169.10101	2.5
171.11696	1.7
173.11777	14.9
173.13182	1.8
177.12784	3.5
189.11270	3.7
195.13850	7.8
210.83682	1.0
213.14821	2.2
227.12885	3.4
229.14331	7.9
245.13913	1.4
261.14951	1.3
269.17468	3.2
275.16513	2.3
278.71329	1.1
299.14865	6.8
303.15912	2.4
305.35818	1.3
320.77008	1.1
321.17056	1.8
335.18643	1.1
339.18018	6.3
355.17621	4.9
356.17389	1.0
377.19736	1.3
395.20776	6.8
423.27417	8.5
445.22656	1.3
549.30621	5.2
549.38397	1.2
567.31659	79.9
567.39551	4.5
568.31696	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.1
55.01867	4.3
55.05514	25.6
57.03432	6.6
59.05006	3.6
64.42065	1.4
65.03936	3.6
67.05508	100.0
69.03152	1.3
69.03437	16.5
69.07072	15.3
70.09573	5.5
70.54869	1.4
71.01359	1.6
71.05000	7.9
71.75108	1.4
79.05497	36.0
81.03423	60.0
81.07060	57.5
83.04990	14.4
83.08624	16.1
85.02905	5.6
85.06551	3.3
86.00284	1.4
91.05488	31.7
93.06480	2.8
93.07048	38.0
93.07637	2.2
95.04971	9.0
95.08614	19.4
97.02888	11.0
97.06535	6.9
97.10180	11.1
99.04456	3.7
99.08075	1.9
105.07036	18.1
106.02404	1.5
107.05001	3.3
107.08609	21.4
109.02866	12.4
109.06551	3.9
109.10155	49.6
111.04452	12.7
111.08092	4.6
117.07014	6.6
119.08599	12.3
121.06461	3.1
121.10182	13.4
123.11729	1.7
125.09612	8.2
127.03938	10.5
129.07001	4.5
131.04951	1.6
131.08589	12.3
133.06535	2.6
133.10143	11.7
135.08064	3.2
135.11700	6.1
139.11162	1.7
143.08536	4.8
145.06500	1.6
145.10130	5.3
147.11682	7.3
149.13255	14.5
155.08611	3.2
155.10693	3.6
157.10146	4.8
159.11682	8.6
161.13133	1.7
169.10152	2.1
171.11687	3.4
173.11754	16.5
175.14655	1.6
177.12785	4.5
179.08542	1.8
182.69131	1.5
183.11736	2.9
185.13329	1.9
189.11230	6.4
195.12086	2.0
195.13808	9.3
197.13329	2.0
213.14850	1.9
227.12773	4.5
229.14336	6.0
269.17505	3.7
275.16589	1.6
275.19968	1.9
278.53900	1.8
299.14938	9.8
303.15765	2.7
339.18112	3.5
355.17520	6.9
395.20825	1.9
423.27505	10.3
425.65558	1.7
516.94647	1.4
531.29675	1.9
549.30408	5.1
549.38611	2.1
567.31488	74.4
567.40240	15.9
568.31622	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	567.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99864	1.0
69.03349	0.5
70.06564	1.1
71.50193	0.6
71.50642	1.1
77.00887	1.2
81.03401	0.9
82.99843	1.6
85.02873	0.6
89.03900	1.1
91.05442	2.2
97.02882	1.1
101.00889	8.0
102.07867	0.6
113.00842	1.7
115.02396	1.2
117.03352	1.7
119.01926	10.0
119.04919	0.9
125.04494	0.8
127.02404	2.0
129.03961	2.7
131.01865	3.5
137.02942	1.0
139.02380	2.0
143.00864	0.9
143.01903	14.2
143.57611	0.7
145.03618	5.2
147.04314	4.3
148.04672	0.6
153.03979	1.5
155.01900	11.1
155.05486	1.7
157.03462	4.7
161.02962	10.5
167.01891	6.3
169.03453	4.8
171.05040	7.9
173.02977	11.3
173.06596	2.6
175.04514	1.2
175.11885	1.4
177.05461	2.8
179.01840	3.4
181.03493	4.9
185.02951	25.3
187.04555	3.2
189.02365	0.7
189.06088	5.8
191.07622	1.5
197.02962	12.3
197.04776	0.8
197.06631	0.8
199.04530	9.7
203.04015	6.5
203.84296	0.6
205.42979	0.7
209.03040	0.9
211.04564	0.7
213.06015	0.7
215.03999	15.0
217.05681	1.2
225.02213	3.8
227.04056	6.0
239.03970	3.4
243.03517	23.5
245.05074	47.8
246.05193	1.0
247.04579	1.2
249.06114	0.8
257.05008	5.3
259.04431	0.7
261.04565	100.0
262.04770	1.7
263.06177	5.7
265.05704	1.0
275.06152	4.9
279.05560	5.6
281.55539	0.8
284.06409	0.9
285.04556	40.7
293.07324	1.6
297.04517	1.3
299.05856	0.9
303.05615	78.0
304.05847	1.3
305.07071	3.3
309.04602	1.9
311.06055	0.9
315.05515	8.9
317.07254	1.1
319.04626	0.8
321.04517	4.6
327.05661	1.2
329.07169	1.1
333.06757	4.6
335.08255	1.7
339.05606	3.4
345.06680	21.4
357.06863	1.3
359.08109	0.7
365.09195	3.0
369.06662	1.9
387.07727	43.9
388.07947	1.0
405.08795	61.8
406.09091	1.1
425.04260	2.1
567.14056	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75149	1.8
71.49599	2.0
85.84623	2.0
94.74729	2.1
100.47698	2.1
101.00898	10.7
107.17363	1.9
119.01910	9.3
127.02448	3.4
129.03989	2.7
131.01912	5.1
143.01921	16.7
145.03476	6.9
155.01884	13.1
155.05602	2.3
157.03464	6.5
161.02972	14.0
167.01875	9.8
169.03453	6.6
171.05049	8.1
173.02977	11.2
173.06645	3.6
175.11922	2.3
179.01894	5.0
181.03467	8.9
185.02969	28.7
187.04494	3.1
189.06125	7.1
193.03288	2.0
197.02975	15.8
199.04555	9.0
203.04103	3.2
213.06035	2.6
215.04037	13.9
224.95621	3.6
225.02415	3.8
227.04100	3.9
239.04057	4.5
243.03566	36.4
245.05099	54.3
257.05136	6.1
261.04581	100.0
262.04654	2.3
263.06216	6.1
267.03107	2.0
275.06110	4.1
279.05533	4.4
285.04556	50.8
293.07318	2.6
303.02112	4.3
303.05627	81.8
305.07370	3.5
315.05597	11.8
321.04602	4.9
326.06461	2.0
333.06644	5.5
339.05502	4.3
345.06680	23.6
365.09439	3.8
369.06802	3.8
387.07663	50.4
405.08817	75.5
497.88782	2.2
567.13934	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30455	1.3
64.37431	1.4
70.66176	1.3
71.49552	1.3
72.16215	1.1
76.11263	1.0
78.12165	1.3
82.09935	1.2
204.48463	1.4
216.99060	2.6
235.00108	5.4
240.98909	8.1
259.00037	35.5
260.00272	2.5
261.03116	1.5
264.99310	3.8
277.01074	15.6
278.01282	1.6
283.00012	100.0
284.00174	6.5
285.00079	2.4
301.01065	93.9
302.01224	6.7
303.01166	2.8
312.76877	1.5
316.95807	1.3
316.99063	3.1
319.02289	2.5
324.02747	1.8
359.00519	2.5
383.00528	2.6
398.95038	4.0
401.01169	8.8
407.00583	5.5
416.96002	1.6
425.01154	35.3
426.01550	2.2
440.96573	1.4
443.02359	54.2
444.02606	5.4
445.02124	2.4
458.97021	1.4
460.99792	1.6
466.04471	1.8
500.98099	7.0
525.00354	2.5
542.99915	3.5
549.01312	36.8
549.09747	2.0
550.01599	3.2
567.02490	54.7
568.02521	2.9
585.00836	6.4
587.69006	1.3
590.03363	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	565.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
55.01867	8.7
55.05513	33.8
57.03438	9.5
57.07081	34.1
60.88527	3.1
60.94556	2.8
65.03952	5.4
67.05511	58.9
69.07076	23.9
71.01349	6.8
71.05011	4.8
71.08639	23.1
79.05495	40.3
81.03429	29.1
81.07057	52.1
83.04974	15.2
83.08622	22.8
85.10181	13.5
91.05485	45.4
93.07045	50.4
95.04980	64.2
95.08614	48.2
96.41192	3.1
97.06530	8.1
97.10175	12.6
103.05471	4.3
105.07037	45.7
107.04951	19.2
107.08591	41.8
109.02898	16.2
109.06523	11.2
109.10180	28.5
111.04464	3.1
111.08085	5.2
117.07027	15.9
119.08581	41.4
121.06512	8.0
121.10146	40.9
123.04440	73.6
123.08047	8.1
123.11708	7.4
125.09634	7.4
128.06229	6.7
129.07005	20.3
131.04936	3.9
131.08580	23.4
133.06453	2.9
133.10133	30.1
135.08052	8.8
135.11697	21.7
137.06030	3.2
137.09628	5.9
141.06976	4.0
142.07808	8.7
143.08554	24.6
145.06517	5.6
145.10144	33.7
147.08067	14.0
147.11681	10.8
149.09647	8.3
151.07578	4.4
153.09172	6.0
155.08572	10.4
156.09354	10.6
157.10147	18.1
159.11668	14.4
161.09644	4.8
161.13284	9.3
163.11198	19.1
165.06998	4.6
165.09099	13.8
167.08636	3.2
167.10680	7.8
169.10126	7.9
170.10895	5.1
171.11670	21.5
173.09616	11.8
173.13287	10.6
175.11240	5.9
175.14854	8.2
179.08528	3.9
181.10100	10.0
183.11708	12.4
185.13237	17.5
187.14763	7.4
189.12759	14.6
193.10149	5.3
194.10971	4.9
195.11708	11.6
197.13309	10.4
199.11139	3.4
199.14903	5.9
203.14302	6.2
206.10925	4.9
207.11761	10.7
207.13821	13.8
209.13284	12.5
211.14764	5.6
213.16437	5.0
217.12265	11.2
221.13373	6.8
221.15422	22.3
223.14874	8.5
233.13206	5.6
233.15324	4.3
235.13254	89.9
237.16496	4.1
239.23619	4.8
245.13319	3.3
247.14822	3.5
251.17953	4.5
257.24832	3.6
259.14804	3.5
265.19550	4.8
271.14764	4.1
275.17883	3.9
277.19604	4.5
304.15759	2.8
309.16956	60.6
310.31006	3.9
313.27377	100.0
341.26636	3.2
359.58212	3.1
365.24783	3.9
388.84656	3.3
529.38629	4.5
547.39954	61.0
565.40460	96.4
565.53467	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	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75995	1.3
53.03941	3.0
55.05511	9.7
57.07066	6.6
59.04998	1.5
60.37886	1.2
65.03944	2.9
67.05500	15.4
69.03423	3.5
69.07074	12.3
69.16329	12.4
77.03918	1.6
79.05497	18.6
80.05012	2.7
81.03421	1.8
81.07058	19.7
83.04976	3.3
83.08620	5.4
85.06557	4.0
91.05488	31.6
93.07048	36.0
95.04971	8.4
95.08610	25.2
97.06551	2.8
97.10191	1.3
100.74698	0.9
103.05473	3.4
105.04531	1.2
105.07035	48.6
107.08598	28.2
109.06527	3.3
109.10145	15.9
109.57718	1.1
111.08044	1.4
114.02065	1.1
115.05460	4.3
116.06196	1.3
117.07016	7.9
119.06200	1.0
119.08589	47.9
121.06491	3.2
121.10142	33.0
123.08101	10.0
123.11703	8.0
125.06004	1.4
125.09600	1.6
128.06252	9.2
129.07016	11.7
130.07788	4.7
131.08580	21.7
133.06497	2.4
133.10136	26.6
135.08070	4.8
135.11702	12.2
137.09634	6.3
139.07523	1.5
141.06970	5.9
142.07770	13.4
143.08566	23.9
144.09357	4.4
145.10129	31.3
147.08078	11.4
147.11696	10.1
149.09659	4.2
151.07588	6.2
153.06992	2.9
153.09122	1.3
154.07768	1.8
155.08553	10.8
156.09331	10.1
157.10133	33.1
158.10934	4.1
159.08115	2.3
159.11700	15.3
161.09634	3.6
161.13295	3.7
163.11186	4.2
165.07013	4.5
165.09117	17.6
166.07784	1.2
167.08614	6.4
167.10716	6.2
168.09360	3.1
169.10146	16.5
170.10919	6.2
171.11693	22.2
172.12442	2.2
173.09686	3.2
173.13264	14.0
175.11224	1.9
175.14865	4.2
177.12880	1.8
179.08582	10.1
180.09383	5.1
181.10138	12.8
181.12201	3.2
182.10902	4.7
183.11719	15.2
184.12450	1.6
185.13260	16.2
187.11201	1.3
187.14865	5.4
189.12767	3.9
191.08620	2.1
191.14314	2.4
192.09367	3.0
193.10133	9.7
194.10864	7.1
195.11684	17.5
196.12486	3.4
197.13264	13.4
199.11220	2.6
199.14774	9.1
201.16406	2.5
203.08618	2.0
203.14320	8.2
205.10152	3.5
205.16159	1.2
206.10921	5.8
207.11725	14.5
207.13829	4.7
208.12563	5.0
209.13260	16.3
209.15129	1.6
210.14046	1.7
211.14818	8.1
213.12764	1.3
213.16386	5.3
215.14197	1.8
216.09343	1.4
217.10141	3.0
217.15924	1.5
218.10999	2.5
219.11647	6.3
220.12552	5.2
221.13264	12.0
221.15424	37.0
222.14134	3.2
223.14789	9.3
225.16454	3.6
229.10147	2.0
230.10953	2.1
231.11703	3.6
232.12555	3.4
233.13292	6.9
233.15318	1.9
234.14131	2.4
235.15054	7.6
236.15767	1.5
237.16406	6.7
239.18025	4.4
243.11783	3.1
244.12509	1.8
245.13225	6.0
246.14087	3.4
247.14851	4.9
247.17128	2.3
248.15610	2.1
249.16411	6.1
251.17899	4.8
253.19548	3.9
257.13306	3.7
259.14743	6.3
260.15634	2.9
261.16525	6.3
263.17877	6.0
264.18564	1.5
265.19571	6.0
269.13229	1.4
270.14127	1.5
270.55191	1.3
271.14801	2.8
273.16418	4.0
274.17233	1.5
275.17963	4.6
277.19556	3.9
279.21039	2.8
281.18936	2.0
283.14920	3.1
283.20700	1.6
285.16275	2.6
287.17685	1.7
289.19675	2.5
293.19482	1.5
295.20673	1.7
299.17719	1.6
301.19522	3.5
309.16663	1.7
311.17920	1.6
313.19330	1.9
315.21222	2.7
331.24319	4.5
341.22531	1.6
341.30804	1.2
343.24237	1.7
357.25739	3.1
365.24854	1.2
385.29028	4.4
393.25983	1.2
399.26599	1.4
409.28674	1.5
473.34378	7.9
485.33917	2.6
509.33633	1.8
547.39343	10.9
557.23096	1.3
565.40448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
54.13803	3.0
55.05508	23.8
57.03424	3.2
57.07084	16.7
57.45238	3.1
65.03946	3.6
67.05177	5.1
67.05508	56.2
69.07076	26.6
70.49825	3.5
71.04978	10.3
71.51691	3.5
72.86301	3.1
79.05502	31.8
81.07063	65.6
83.04987	5.0
83.08613	12.6
85.06538	4.4
91.05488	50.5
92.11944	3.2
93.07050	52.1
95.04965	7.0
95.08612	51.1
97.06534	3.4
97.10123	5.8
103.05498	3.8
105.07036	81.9
107.08609	50.2
109.06513	13.9
109.10159	45.1
111.08088	4.9
115.05434	6.5
117.07016	12.3
119.08589	100.0
121.06480	5.5
121.10143	65.0
123.08096	6.8
123.11715	11.3
128.06238	11.3
129.07025	18.2
130.07765	5.4
131.08575	34.6
133.10144	57.9
135.08061	7.5
135.11720	37.2
141.06993	7.7
142.07800	20.2
143.08589	39.1
144.09309	8.9
145.10139	47.0
147.08098	3.3
147.11691	22.4
149.09677	6.4
149.13289	7.4
153.06967	4.3
155.08537	14.0
156.09332	14.9
157.10143	60.4
158.10870	8.2
159.08083	4.2
159.11711	30.8
160.29486	3.1
161.09578	6.4
161.13284	6.9
162.46208	2.9
165.07014	6.9
167.08563	7.9
167.10760	7.9
168.09401	4.7
169.10121	28.1
170.10886	8.0
171.11729	28.4
172.12422	3.8
173.09616	8.7
173.13293	18.5
175.11211	5.6
175.14798	21.3
177.12776	5.5
179.08611	9.6
180.09355	4.9
181.10085	11.7
182.10893	10.2
183.11748	23.0
185.09608	4.5
185.13281	11.8
187.14798	11.1
189.12825	5.7
189.16447	4.0
191.14256	4.6
192.09366	3.8
193.10114	15.8
194.11044	3.8
195.11693	20.5
196.12350	5.6
197.13208	22.7
199.11197	9.4
199.14856	6.0
201.16444	6.5
206.10988	7.4
207.11719	13.1
207.13646	3.6
208.12393	4.4
209.13307	15.9
210.13840	3.8
211.11182	6.2
211.14920	9.4
213.12767	4.8
213.16356	15.3
217.10168	5.3
219.11702	5.7
221.13271	11.7
223.14870	11.7
225.12752	8.9
227.17784	4.7
233.13292	7.8
233.15482	4.1
235.14827	8.0
237.16335	5.4
239.17891	4.6
240.14857	2.9
245.13341	4.9
247.14778	5.2
251.18018	4.7
263.17902	3.3
271.20462	4.1
273.18628	23.0
279.17685	3.4
279.21121	9.6
282.27966	4.1
289.16043	3.9
299.20160	28.4
310.31009	5.5
343.24197	4.0
347.23752	5.3
399.26682	4.8
443.29657	8.0
453.35242	3.8
467.37415	9.6
473.33914	8.2
547.39691	6.8
565.39832	51.9
565.52850	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	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	5.9
55.01867	9.6
55.05525	24.6
56.28572	4.0
57.03428	19.9
61.02919	5.1
67.05509	61.7
69.03445	8.6
69.07082	24.2
69.31607	40.1
71.04974	6.3
79.05500	55.8
81.03413	19.7
81.07064	79.3
83.04961	19.9
83.08619	16.2
85.02888	9.8
86.87560	4.0
91.05493	33.5
93.07043	56.2
95.04972	7.0
95.08630	26.6
96.65497	4.3
97.02852	9.6
97.06530	23.1
97.10133	10.7
98.20766	10.2
105.07023	37.6
105.07645	7.4
107.04940	8.9
107.08592	43.9
109.06513	8.6
109.10160	8.5
111.08076	8.3
117.07021	18.8
119.08578	22.7
121.10113	12.9
125.09634	5.5
131.08537	18.7
133.10135	24.6
134.99097	4.9
135.08069	6.5
135.11678	22.5
145.10092	15.3
147.11642	16.5
149.06018	5.1
149.09584	11.4
149.13242	15.0
151.11169	4.2
159.11700	28.2
161.13237	5.6
163.11195	8.5
171.10167	5.1
173.13318	5.8
174.29187	4.3
177.12845	21.9
179.14320	9.5
181.12126	5.6
189.25592	4.8
195.13858	8.7
239.17912	5.8
255.15903	54.4
257.19028	8.7
269.17490	100.0
275.20044	36.6
326.74731	4.6
349.23721	69.5
367.24924	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	2.5
51.88773	2.4
52.25835	2.4
53.03934	7.1
54.10848	2.5
55.01861	10.1
55.05514	32.7
57.03442	21.1
61.02930	13.9
65.03922	6.6
67.05505	82.9
69.03416	16.9
69.07069	43.2
70.06571	2.6
71.04980	7.5
71.51665	3.0
72.80945	2.5
73.02897	5.5
74.08617	2.1
79.05498	91.3
80.05796	2.7
81.03412	20.8
81.07061	89.5
83.04971	17.8
83.08607	19.3
85.02899	27.4
91.03946	7.4
91.05482	81.9
93.06495	6.0
93.07049	100.0
95.04963	11.9
95.08602	39.9
97.02905	16.5
97.06551	20.7
97.10181	6.7
99.04438	4.5
99.08081	5.1
100.29330	2.9
103.05457	3.4
105.04525	3.0
105.07035	70.8
107.04941	5.6
107.08603	52.4
109.06502	8.2
109.10152	22.8
111.08066	9.1
113.09647	4.6
115.05476	2.8
115.09034	3.0
117.07007	25.5
119.04882	3.8
119.07799	4.8
119.08583	51.6
121.06473	9.3
121.10150	42.3
123.08057	7.5
123.11707	3.6
125.09627	4.1
127.03898	8.3
129.05482	5.1
129.07054	13.2
131.08559	28.9
133.10124	43.4
135.08069	6.8
135.11697	30.5
137.09644	5.7
141.06960	4.0
143.08583	9.7
145.04947	4.9
145.06522	2.7
145.10129	28.5
147.04347	5.5
147.08060	3.6
147.11700	37.6
149.09616	17.1
149.13272	29.7
151.11186	4.4
155.08508	3.2
157.10158	11.7
159.11690	33.7
161.09569	4.3
161.13255	24.6
163.11197	9.5
171.11673	9.4
173.11894	2.8
173.13272	11.2
175.14819	11.2
177.12764	11.3
183.11731	3.6
185.13223	6.6
189.12730	4.1
195.13806	9.2
199.14786	6.2
231.21075	3.1
241.19533	20.3
257.18988	3.7
259.20602	50.6
269.17487	73.6
275.20059	16.0
276.11551	3.0
277.21500	7.2
281.17374	3.4
333.24216	9.2
349.23798	5.0
351.25287	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.8
53.03948	12.6
55.05519	28.1
57.03432	25.1
61.02924	15.4
67.05508	77.3
69.03429	13.1
69.07072	42.5
71.05005	8.6
71.51329	7.4
79.05500	84.5
81.03426	17.0
81.07063	95.9
83.04976	12.2
83.08623	14.2
85.02915	18.3
91.03971	8.1
91.05489	75.8
93.07053	100.0
95.04986	17.7
95.08626	48.6
97.02901	17.0
97.06530	19.3
97.10187	6.1
98.35416	4.2
99.04462	7.1
105.04533	3.9
105.07048	76.1
107.04947	6.3
107.08591	52.6
109.10143	23.7
111.08102	9.0
117.07036	31.4
119.08590	47.6
121.06522	8.7
121.10149	34.7
123.08112	10.6
129.07005	13.3
130.40053	5.2
131.08566	34.1
133.10159	41.2
135.08118	4.5
135.11664	22.7
137.09654	6.6
142.07846	4.4
143.08578	7.8
145.10165	25.4
146.05818	4.3
147.11713	34.6
149.09612	13.5
149.13292	28.8
151.11188	5.3
157.10123	9.4
159.11697	34.8
161.13287	21.1
163.11259	7.8
171.11699	14.0
173.13278	14.6
175.14813	5.1
177.12830	9.6
185.13260	12.2
195.13770	14.9
199.14807	7.8
229.14372	8.3
229.19359	4.8
241.19574	12.7
259.20563	54.1
269.17471	48.8
275.20071	16.0
349.23441	7.2
351.25311	58.5
562.07092	5.6
571.72388	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01860	5.0
55.05521	22.9
57.03436	19.1
58.20306	3.5
61.02915	5.9
67.05513	72.0
69.03419	8.2
69.07070	26.9
69.31356	19.7
69.31766	9.9
71.04983	5.3
79.05502	53.8
81.03429	24.9
81.07063	94.1
83.04976	12.5
83.08625	16.9
85.02901	21.1
91.03925	4.4
91.05489	38.7
93.06486	5.3
93.07047	65.9
95.04956	11.2
95.08619	24.1
97.00818	3.4
97.02870	8.0
97.06538	22.8
97.07050	4.0
97.10137	10.1
99.08086	4.1
105.07021	34.5
107.04958	8.5
107.08591	38.7
109.06513	8.8
109.10172	17.0
111.08090	7.7
117.07020	18.3
119.08592	28.0
121.06472	6.2
121.10149	17.9
123.04407	4.9
123.08109	9.4
125.09605	6.8
127.03889	3.7
129.06952	7.4
130.91959	3.6
131.08589	23.9
133.10114	28.3
135.08078	8.6
135.11687	26.1
141.07065	3.3
143.08572	4.6
145.10120	15.9
146.58272	4.1
147.04420	8.4
147.11649	13.6
149.09612	12.3
149.13293	18.8
157.10173	7.9
159.11713	31.6
161.09651	4.8
161.13321	3.4
163.11169	11.7
177.12740	21.5
179.14366	7.3
193.12321	7.8
195.13832	9.3
211.13373	4.0
227.12703	4.9
229.14223	4.3
232.12929	3.7
239.17830	4.9
255.15886	56.0
257.19043	6.2
269.17471	100.0
275.20084	38.6
293.21069	5.4
349.23703	48.5
367.24808	17.5
381.13165	8.4
382.13501	9.6
399.14249	5.6
400.14664	13.4
511.28906	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	563.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.4
55.01873	3.7
55.05513	38.4
56.54457	2.0
57.03439	12.7
57.07082	12.8
65.03938	4.4
67.05508	75.8
67.57220	1.7
69.07069	49.3
71.04981	6.0
71.08630	5.7
73.06553	3.3
77.03908	1.9
79.05497	78.2
81.03420	9.5
81.06586	4.1
81.07059	73.2
83.04973	14.4
83.08617	31.9
83.09073	3.4
85.06519	4.7
85.10184	3.6
88.02219	1.9
91.04905	3.0
91.05482	63.9
93.07050	88.9
95.04982	18.8
95.08615	48.3
97.06523	12.1
97.10178	16.5
99.08058	2.0
105.04554	4.3
105.07040	48.2
107.04950	7.2
107.08601	24.3
109.06529	4.3
109.10172	14.0
111.08073	3.9
111.11728	2.6
113.09656	1.8
117.07023	9.0
119.08588	22.9
121.10159	16.8
123.08070	7.4
123.11759	5.1
128.06229	3.3
129.07031	16.4
131.08617	3.2
133.10135	16.0
135.11725	12.2
143.08603	8.5
145.10104	11.5
147.08107	2.1
147.11691	37.5
149.13263	6.5
159.11699	3.2
161.09625	4.6
161.13271	13.2
163.11206	2.7
163.14821	2.3
171.11697	32.3
189.12802	12.3
207.13818	36.7
265.25266	5.2
281.17487	69.2
339.28961	68.6
428.04675	1.7
545.42053	100.0
563.39557	7.6
563.51245	2.5
578.23737	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	563.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51954	3.8
53.03942	7.3
54.34833	4.1
55.01880	4.8
55.05510	46.2
57.03424	13.5
57.07061	14.3
65.03938	4.5
67.05505	95.0
68.05831	5.5
69.07066	52.6
71.04996	7.4
71.08652	7.6
71.51615	5.1
79.05068	7.2
79.05494	100.0
81.03421	10.6
81.07056	96.4
82.07386	5.3
83.04961	14.3
83.08611	33.7
85.06538	5.4
91.05482	62.7
91.90153	3.5
93.07044	90.7
95.04430	4.4
95.04968	22.8
95.08604	66.7
97.06541	11.5
97.10150	13.9
99.08084	5.6
105.04506	4.0
105.07030	53.6
107.04929	5.8
107.08606	38.1
109.06562	5.3
109.10140	24.1
111.08070	6.7
111.11696	4.7
117.07009	7.7
119.08601	27.6
121.10165	26.0
123.08053	6.6
123.11739	11.8
125.09641	5.4
128.06183	5.8
129.06998	16.4
131.08574	6.7
133.10123	17.6
135.11691	18.3
143.08559	7.1
145.10123	10.9
147.11699	47.4
149.13255	14.4
151.11082	4.8
153.38266	4.9
159.11690	7.7
161.09573	5.0
161.13252	14.3
171.11690	30.1
179.14348	8.8
189.12727	19.2
207.13829	32.1
247.12564	3.8
261.22183	4.8
265.25089	4.2
267.15921	5.2
269.17587	6.4
277.21603	6.9
281.17426	60.2
285.17047	9.3
339.28909	64.9
348.64450	4.5
469.05008	4.1
545.42102	98.0
563.42664	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04142	1.0
51.61695	1.1
53.03943	4.7
55.01864	2.6
55.05519	17.3
57.03439	8.4
57.07063	3.7
59.04986	1.4
65.03944	2.7
65.05340	1.1
65.83508	1.2
67.05507	63.1
69.03443	1.2
69.07073	18.0
69.28991	9.3
71.04990	2.8
71.08659	1.5
77.59019	1.1
79.05496	35.7
79.72156	1.1
81.03410	2.6
81.07060	100.0
83.04984	6.4
83.08623	11.6
85.06556	5.6
91.05485	30.4
93.07044	39.4
95.04968	4.7
95.08608	49.1
95.09106	0.8
97.06554	5.4
97.10162	3.3
99.08092	3.6
103.05476	1.1
105.04550	1.6
105.07034	34.8
107.05023	1.2
107.08596	28.2
109.06535	5.4
109.10161	16.9
110.28522	1.0
111.08094	2.7
116.82246	1.1
117.07035	6.7
118.84798	1.1
119.08585	31.2
121.10149	26.8
123.08057	3.9
123.11718	24.1
125.09683	2.2
127.07542	2.0
129.06970	2.6
131.08580	8.9
133.10156	10.2
135.08142	1.3
135.11731	11.0
137.13261	3.2
143.08488	1.3
145.10158	8.7
147.10507	2.3
147.11693	46.3
149.13245	9.8
151.11194	1.3
157.10121	3.4
159.11713	6.4
161.13257	4.5
163.11049	1.3
163.14806	3.2
165.12750	23.7
173.13266	4.9
175.11223	2.9
175.14870	1.5
177.12720	1.3
177.16486	1.3
179.14342	1.7
183.13773	3.4
187.14838	3.0
193.12202	1.6
196.20860	1.2
201.16391	1.9
227.12900	1.5
229.14261	5.5
238.93239	1.1
243.21037	7.2
253.34981	1.3
259.20544	1.9
261.22144	26.7
267.15939	39.0
279.23181	6.4
285.16980	37.3
299.23657	1.5
317.24701	6.7
335.25833	33.5
336.26007	1.4
353.26733	2.5
389.38580	1.4
453.33600	4.2
471.34576	3.6
527.37231	5.9
545.38385	16.6
563.39008	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	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32384	1.6
53.03961	3.5
55.05518	18.3
57.03438	8.5
57.07079	2.9
65.03935	3.5
67.05511	66.8
69.07071	18.1
71.05000	4.9
71.50878	2.3
79.05499	38.0
81.03436	2.6
81.07062	100.0
83.04998	5.5
83.08636	12.3
85.06548	4.3
91.05483	29.5
93.07053	42.8
95.04981	5.1
95.08609	40.0
97.06556	4.6
97.10179	2.7
99.08096	5.1
105.07036	32.3
107.08607	28.9
109.06527	5.2
109.10161	15.8
117.07043	5.1
119.08595	26.4
121.10153	28.2
123.08074	3.6
123.11709	27.2
127.07565	2.8
129.07051	3.2
131.08577	11.3
133.10185	11.3
135.11696	10.9
137.09624	2.2
137.13292	5.6
143.08568	2.8
143.12328	1.7
145.10123	8.1
145.92329	2.0
147.11708	44.7
149.13280	6.5
151.11162	2.0
157.10150	3.2
159.11731	6.6
161.13271	4.1
163.14851	4.1
165.12767	19.0
173.13286	5.3
175.11209	2.1
175.14932	2.6
183.13852	2.4
187.14821	3.8
219.17583	1.8
229.14374	4.1
243.21138	5.8
261.22119	29.3
267.15936	33.3
279.23178	3.7
285.16992	39.7
317.24762	7.5
335.25803	31.6
353.26846	3.3
453.33997	3.7
471.34708	4.2
527.37244	5.8
545.38318	16.5
563.39069	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	563.1554
Annotation	Catechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02373	0.7
53.03941	2.2
55.01868	1.6
65.03937	1.6
67.05511	1.2
68.99786	3.7
69.03429	1.1
70.06604	1.3
71.32421	0.6
71.51572	1.0
77.03940	1.3
79.05488	1.7
81.03412	1.2
83.04972	0.6
84.08157	0.7
85.02898	0.8
91.05468	5.0
92.71302	0.6
93.03367	1.0
93.14472	0.7
95.04966	2.8
97.02903	1.1
97.06548	1.2
98.12976	0.6
105.04531	0.9
105.07015	0.9
107.04957	100.0
111.00821	2.6
111.04440	1.3
112.88832	0.6
115.05444	0.9
119.04942	34.2
121.02849	4.1
121.06477	0.9
122.89046	0.6
123.04431	49.6
127.03924	2.2
129.06943	0.7
131.04953	1.5
133.06503	5.3
135.04446	2.5
137.02379	1.3
137.06001	1.3
139.03903	19.7
141.06972	0.8
145.06508	5.9
147.04414	34.8
149.02338	3.9
151.03914	4.8
153.01880	1.8
157.06519	2.3
159.04416	0.8
161.06029	4.5
163.03931	4.9
165.05482	6.7
165.06807	1.1
167.03418	7.1
169.05054	0.7
169.06467	1.1
171.04393	5.4
171.07957	0.8
173.06017	0.7
175.03940	2.9
176.46796	0.7
177.05507	1.6
179.03418	6.8
181.04984	1.2
185.05983	3.2
187.04042	0.8
187.07585	2.1
189.05453	5.9
191.03404	6.4
193.04991	4.5
197.06023	1.2
199.07526	2.1
201.05521	3.5
203.03383	8.1
203.06972	0.8
205.05031	1.3
207.06529	2.2
213.05502	3.6
215.03488	1.4
215.07077	1.4
217.05022	2.3
227.07085	2.2
229.04927	4.0
231.06526	19.8
233.04465	2.3
239.07153	1.9
241.04871	1.3
243.06557	3.6
245.04445	10.0
245.08173	1.6
253.04901	0.8
255.06555	10.1
257.04446	14.9
257.08228	0.8
258.05255	1.5
259.06097	1.2
267.06604	6.3
268.17068	0.7
269.04520	1.8
269.08121	3.8
269.17474	1.4
271.06110	2.8
273.07556	10.7
275.05484	11.2
281.04291	0.9
285.07547	7.9
287.05484	29.4
291.08701	5.6
297.07532	1.4
299.05524	9.8
303.08704	2.2
331.08194	1.4
393.09616	12.2
395.11359	2.2
409.09109	15.3
411.10675	1.9
419.11230	5.2
421.09097	2.1
427.10291	2.5
437.12408	1.6
439.10193	4.6
545.14465	0.8
563.18713	0.9
563.32935	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	563.1553
Annotation	ent-Epiafzelechin-(4alpha->8)-epicatechin
Peak:m/z	Relative Intensity
53.03946	1.6
55.01871	2.8
56.62353	0.8
62.40273	1.1
63.02398	0.8
65.03936	1.9
68.99789	6.5
70.06567	1.0
70.27419	1.8
70.27815	1.9
74.09866	1.1
79.05498	2.3
91.05485	7.3
95.04990	5.2
103.05481	0.8
105.06988	1.4
107.04958	100.0
109.02866	1.1
111.00777	3.4
111.04446	3.7
115.05450	1.3
116.07072	1.2
119.04945	54.9
121.02903	6.1
123.04431	35.2
123.05338	1.5
127.03927	3.7
128.06148	1.0
131.04935	2.0
133.06512	7.0
135.04424	2.0
137.02299	1.1
137.05992	1.2
139.03906	37.9
145.06473	8.7
147.04416	50.0
149.02353	9.6
151.03897	14.3
157.06480	4.1
159.08113	1.6
161.06018	6.8
163.03897	7.1
165.05489	7.3
165.06865	1.9
167.03410	18.5
169.06485	1.6
171.04404	11.3
171.08073	1.8
173.05988	1.2
175.03989	4.5
177.05515	2.6
179.03421	10.6
181.06468	2.8
185.06000	4.7
187.03879	2.3
187.07510	3.0
188.98796	1.0
189.05478	9.7
191.03391	14.7
193.05005	4.2
197.06017	1.8
199.07530	3.0
201.05444	4.3
203.03395	11.4
205.05009	1.7
207.06538	1.2
213.05420	6.1
215.03511	1.3
215.07039	2.4
217.05019	1.9
227.07011	5.9
229.05002	4.4
231.06517	24.6
233.04509	6.8
239.07068	2.0
239.24380	0.9
241.04988	1.2
242.65257	1.0
243.06546	11.0
245.04431	7.8
245.08080	4.1
251.05595	1.0
255.06519	13.7
257.04471	12.8
257.08087	2.5
259.06091	1.1
267.06509	7.8
268.07184	1.0
269.04462	2.7
271.06104	1.7
273.07553	24.1
275.05499	19.7
285.07602	21.6
287.05518	31.4
291.08624	17.1
299.05637	4.6
301.46051	0.8
303.08771	2.4
311.52808	0.9
393.09692	20.9
395.11151	3.5
405.09323	1.0
409.09167	7.6
411.10657	4.1
427.10132	2.7
434.17395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01872	3.3
55.05523	19.1
57.03449	14.7
65.03945	2.2
67.05508	33.4
69.03423	5.3
69.07076	9.0
70.06602	4.3
71.04981	5.2
79.05497	33.5
80.51412	3.2
81.03423	87.9
81.07069	37.3
83.04983	10.9
83.08614	26.7
83.63691	2.2
85.02908	11.8
85.06556	3.0
91.05482	37.6
93.07058	23.6
95.04976	31.7
95.08612	16.6
97.02917	5.1
97.06519	3.7
97.10172	8.5
105.07034	24.3
107.04974	13.3
107.08590	12.5
109.06504	7.0
109.10121	14.1
111.04458	4.2
111.08093	10.9
114.10276	4.4
116.54766	2.7
117.07021	7.3
119.04949	4.5
119.08598	20.1
121.06535	4.7
121.10158	10.9
123.04406	4.4
125.09694	3.2
129.07002	11.0
131.08569	14.5
133.06508	6.3
133.10172	12.0
135.08092	3.8
135.11671	4.5
137.09599	4.9
142.07805	2.9
143.08528	3.4
145.10104	7.0
147.04405	7.7
147.08041	4.1
147.11705	12.0
149.09634	9.0
151.11298	5.0
157.10114	12.0
159.11650	2.8
159.33887	2.5
163.03842	3.1
163.11186	7.7
173.11751	2.6
175.11223	9.5
193.12244	33.0
211.13274	24.2
227.12808	9.2
229.14326	7.4
245.08025	2.8
249.14685	2.5
253.14363	8.6
267.15936	100.0
283.15546	3.9
285.16986	20.2
291.19611	3.0
349.21695	5.8
365.23218	11.1
367.22684	11.8
385.23679	10.7
403.24915	3.5
412.60507	2.9
433.25836	9.3
441.26657	3.1
459.27423	46.9
477.28473	28.7
515.70227	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	562.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90031	2.1
53.03941	6.5
55.01860	6.0
55.05510	15.8
57.03439	16.9
67.05511	36.5
69.03427	4.8
69.07073	12.1
71.05005	4.5
71.15879	5.5
72.91904	2.4
79.05499	29.5
81.03425	100.0
81.07056	32.7
83.04977	12.0
83.08227	2.5
83.08631	26.0
83.79506	2.7
85.02893	17.3
85.06572	2.9
89.27768	2.7
91.05484	36.5
93.07050	21.0
93.88235	2.5
95.04969	28.2
95.08583	12.7
97.02877	6.5
97.06557	3.3
97.10153	8.7
105.07040	26.1
107.04945	10.1
107.08601	12.0
109.06526	6.8
109.10149	6.3
111.08052	8.9
112.19219	2.4
115.05491	2.5
116.01812	2.6
117.06990	7.1
119.04887	3.5
119.08585	21.1
121.06497	3.8
121.10142	11.4
123.08075	3.2
125.09621	5.1
129.07037	13.5
131.08601	16.8
133.06497	3.8
133.10133	10.9
137.09557	3.0
142.07790	5.2
145.06474	3.8
145.10162	3.4
147.04442	3.2
147.08052	6.7
147.11691	13.4
149.09587	7.5
157.10141	13.9
159.08157	2.7
163.11201	4.5
164.67014	2.6
165.12737	4.6
175.11223	13.5
193.12277	35.7
202.96400	2.8
211.13286	28.4
223.13132	2.9
249.14809	2.9
255.13895	3.2
258.33496	2.3
267.15942	95.8
273.14850	4.0
285.16953	27.3
290.92435	2.6
291.19626	13.8
349.21747	3.0
365.23181	9.3
367.22507	11.2
385.23453	11.6
403.24832	4.2
433.25848	8.8
459.27414	49.9
477.28561	41.7
482.96271	2.9
562.35071	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	562.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
53.96474	4.0
55.01867	6.1
55.05520	35.9
57.03445	20.5
65.27738	4.3
67.05507	46.8
69.03435	9.7
69.07068	26.4
69.15264	14.3
69.15681	34.5
70.06579	5.3
79.05505	38.7
81.03425	100.0
81.07066	43.7
83.04990	20.2
83.08629	29.0
85.02920	18.3
85.06507	5.3
91.05485	43.3
93.07040	26.3
95.04982	32.8
95.08625	18.0
97.02893	12.4
97.06519	8.1
97.10165	14.1
105.07026	25.0
107.04959	13.4
107.08602	21.0
109.06532	11.9
109.10178	11.8
111.08106	8.5
117.07036	4.5
119.08595	30.7
121.10136	15.2
123.08109	6.3
124.92172	4.3
125.09638	11.1
129.07019	18.0
131.08592	21.2
133.10162	13.3
142.07883	5.4
142.42642	4.1
143.08589	8.7
145.06552	4.9
145.10133	9.2
147.04390	11.4
147.08052	6.1
147.11726	12.4
149.09647	8.4
153.38657	4.6
157.10167	11.9
163.11150	5.3
171.53456	4.8
175.11240	18.1
183.51299	5.7
189.11343	6.7
193.12270	38.5
205.12286	4.5
211.13345	21.7
223.13301	18.7
236.90742	4.1
249.14919	6.8
267.15945	90.3
273.18591	13.6
285.17004	31.3
291.19592	66.6
342.86124	4.9
365.23285	92.8
385.23849	10.3
433.26181	7.0
459.27371	48.9
477.28543	38.8
551.88483	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	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09513	3.1
53.03948	6.4
55.01867	8.5
55.05521	18.0
57.03434	14.7
61.02913	5.1
65.03944	3.3
67.05508	58.7
68.18690	3.3
69.03422	9.3
69.07065	15.4
69.23138	4.6
69.23539	26.5
71.04996	9.0
79.05491	44.1
81.03415	39.5
81.07059	66.6
83.04988	16.7
83.08636	16.6
83.09089	2.9
85.02905	12.4
85.06541	5.4
91.05489	53.6
93.07043	42.7
95.04977	21.6
95.08607	18.4
97.02883	6.6
97.06567	4.6
97.10180	8.3
99.08078	4.0
105.07035	44.5
107.04958	16.7
107.08588	38.2
109.06510	6.7
109.10161	38.3
109.80717	3.4
111.04427	3.8
111.08081	7.8
117.07027	5.5
119.08603	19.3
121.06516	6.6
121.10152	10.4
123.08093	5.3
123.11736	7.3
125.09634	5.8
129.07045	6.6
131.08563	13.3
133.06506	9.6
133.10136	58.3
135.08054	8.3
135.11749	4.9
142.07726	3.3
145.10126	11.0
147.11716	8.2
149.08534	3.4
149.09624	13.2
151.11176	32.0
157.10120	6.2
159.11737	5.7
161.09636	7.9
163.11197	4.3
169.12233	3.3
175.11136	5.7
177.09097	4.4
179.78366	3.1
193.12250	15.0
211.13361	9.3
246.86484	3.2
253.14357	100.0
253.16869	7.1
267.15927	29.1
269.13861	5.7
271.15414	16.4
273.18463	17.9
276.20151	3.2
285.16919	13.0
291.19562	14.1
306.43027	3.4
347.22327	8.1
365.23306	85.9
365.27762	2.8
385.23901	6.1
459.27408	13.4
477.28583	40.2
518.45801	3.4
544.36804	7.7
562.37354	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	561.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87075	3.2
52.45016	3.4
53.03936	7.6
55.01891	6.3
55.05516	31.1
57.03425	11.9
57.07073	9.0
65.03937	4.1
65.14147	3.2
67.05184	6.5
67.05512	100.0
69.07081	25.8
69.16898	38.6
71.08641	5.5
79.05502	75.7
81.03423	5.5
81.07061	87.5
83.04972	12.4
83.08626	21.3
85.06556	4.2
91.05489	55.9
93.06490	4.8
93.07053	65.9
95.04984	15.1
95.08614	57.6
97.10155	12.0
105.07027	37.8
107.04969	6.6
107.08630	21.4
109.06571	5.8
109.10160	21.4
117.07012	14.4
119.08596	25.1
121.10139	13.1
123.11686	6.7
129.07001	10.2
131.08557	6.0
133.10143	13.5
135.11719	8.5
143.08588	5.5
145.10106	6.8
147.11732	34.1
159.11807	5.0
159.59973	3.7
161.13319	13.2
171.11691	19.6
189.12691	8.6
190.32559	3.5
201.91063	3.5
207.13779	20.5
211.44467	3.7
228.00276	3.4
263.23843	5.4
281.17511	53.3
330.54620	3.9
337.27484	46.2
543.40411	67.1
561.41388	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	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.03950	8.0
55.01858	4.2
55.05276	1.8
55.05516	27.4
56.25892	1.3
57.03431	5.3
57.07078	3.5
65.03937	4.3
67.05509	87.9
69.03419	5.0
69.06734	1.9
69.07079	24.6
71.05000	41.3
71.08629	3.7
77.03935	1.7
79.05499	75.0
81.03416	4.8
81.07062	100.0
83.04990	14.0
83.08631	15.0
85.06561	7.0
91.05489	67.2
91.05985	1.0
91.06081	1.6
93.07049	71.2
93.49088	1.5
95.04976	11.4
95.08614	44.8
97.06540	8.5
97.10159	5.1
99.08092	4.6
105.04541	2.9
105.07038	40.6
107.04948	3.2
107.08601	33.5
109.06528	7.6
109.09468	2.0
109.10158	20.9
111.08077	4.1
113.09644	1.5
115.05399	2.3
116.06224	2.0
117.07029	10.5
119.08577	21.2
121.06495	3.0
121.10146	21.3
123.08077	3.5
123.11713	16.0
125.09646	3.0
129.07007	5.5
131.08569	15.5
133.10141	30.9
135.08037	2.6
135.11693	15.1
137.09584	1.6
139.11172	2.1
141.07014	2.1
143.08559	3.8
145.10133	7.6
147.11713	16.8
149.09628	2.2
149.13272	9.6
151.11201	12.1
157.10202	1.4
157.27080	1.4
159.11707	12.1
161.09688	2.2
161.13297	8.2
163.11115	1.8
163.14760	1.5
171.10432	1.3
171.11670	8.2
173.13283	4.0
175.14874	2.8
175.22726	1.5
177.12718	5.0
177.56644	1.3
183.13797	13.2
185.13156	2.0
189.12756	2.7
189.16440	1.4
195.12065	1.4
195.13808	5.9
201.16461	1.3
203.57520	1.3
207.13831	5.8
214.47986	1.4
245.22670	1.9
253.14412	2.8
261.22214	2.2
263.23734	2.3
269.17520	3.1
271.90277	1.7
275.20142	3.9
281.17545	14.9
283.19235	2.5
285.17010	3.4
291.19504	2.5
293.20947	7.8
335.25809	2.0
335.41324	1.5
337.27356	15.5
361.27615	1.8
363.25287	3.6
517.31665	2.1
517.38867	19.4
529.38812	6.8
543.41003	16.1
561.41864	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	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.8
55.01867	3.9
55.05518	34.1
57.03444	14.2
57.07071	5.5
60.19512	2.0
65.03934	4.7
67.05509	100.0
69.07073	31.5
69.94787	6.9
69.95192	5.2
70.23176	2.2
71.04986	3.2
71.08640	5.8
73.06577	2.1
79.05500	82.0
79.05959	4.0
81.03411	6.5
81.07064	82.9
83.05006	11.4
83.08622	17.6
85.02914	2.5
85.06549	5.7
91.05487	56.6
93.07050	72.2
95.04980	15.7
95.08617	57.1
97.06522	9.1
97.10179	7.8
105.07037	39.3
107.04964	5.6
107.08593	24.9
109.06529	6.2
109.10167	24.8
111.08094	3.5
117.07019	10.5
117.11526	2.4
118.80354	2.3
119.08578	29.8
121.06508	4.2
121.10159	11.5
123.08078	4.8
123.11718	8.4
126.50916	2.7
128.06192	4.1
129.07022	14.6
131.08588	4.4
133.10141	20.2
135.11705	8.6
137.13312	4.2
142.45041	2.7
143.08556	14.8
145.10124	8.6
147.08029	3.0
147.11682	41.8
147.12807	3.6
159.11748	2.3
161.09602	3.4
161.13234	13.9
165.16446	3.0
171.11720	21.0
175.14728	3.0
189.12762	11.7
207.13838	32.7
225.14914	4.0
245.22798	3.0
263.23645	7.1
281.17493	48.4
281.20389	4.9
337.27390	69.9
363.04681	2.4
390.29007	2.4
429.91690	2.3
515.77905	2.6
543.40521	94.8
555.31555	2.4
561.41266	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	561.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.9
53.03954	12.3
55.01851	5.9
55.05268	2.5
55.05516	34.1
57.03447	12.6
57.07074	4.7
59.05009	1.9
65.03915	5.6
67.05510	100.0
69.07072	32.3
71.04975	4.7
71.16051	2.9
71.16384	2.2
77.03913	1.9
79.05499	78.8
81.03432	10.8
81.07064	96.5
83.04987	14.4
83.08615	18.0
85.06533	1.9
91.05486	65.8
93.07051	75.6
95.04980	20.8
95.08615	66.7
97.06532	6.8
97.10160	9.7
105.04522	2.3
105.07032	44.1
107.04961	6.6
107.08614	24.8
109.06512	4.9
109.10159	19.7
111.08051	2.4
113.09666	1.8
114.73200	1.9
114.73932	1.8
117.07005	12.2
119.08596	28.7
121.10140	13.1
123.08045	5.4
123.11694	6.9
125.09655	2.3
128.06184	2.2
129.07014	16.2
131.08575	4.9
133.10149	18.1
135.11702	9.5
137.13202	2.7
143.08539	6.6
145.10149	10.6
147.08115	2.3
147.11700	38.8
149.13266	5.1
159.11688	2.2
161.09587	4.8
161.13280	11.9
163.14821	3.1
171.11700	23.6
175.14726	2.6
177.05479	2.2
179.14400	2.9
189.12814	9.5
207.13820	25.4
225.14764	2.4
241.19363	2.3
245.22635	4.6
257.09512	1.8
261.11996	2.1
263.23758	4.9
279.15939	2.4
281.17502	54.4
337.27399	62.7
543.40527	93.2
561.39996	2.4
568.55536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01867	3.0
55.05515	19.0
56.67971	1.7
57.03444	13.3
57.07057	4.2
61.43887	1.8
65.03936	2.2
67.05506	51.1
67.83361	1.6
69.03413	3.0
69.07069	18.7
70.90616	4.0
71.04991	6.7
78.50020	1.6
79.05494	44.6
81.07055	100.0
83.04970	7.2
83.08614	11.3
85.06521	4.3
86.25677	1.6
91.05482	60.2
93.06490	2.3
93.07047	44.2
95.04964	6.5
95.08062	2.7
95.08611	39.3
97.06517	7.3
97.10155	2.2
98.07513	1.5
99.08057	2.7
100.97392	1.5
105.04494	2.1
105.07030	77.4
107.08595	32.4
109.06512	6.5
109.10162	9.7
117.07031	10.1
119.08584	71.0
121.06513	1.8
121.09321	3.1
121.10133	35.4
123.08060	5.2
123.11710	31.5
127.07536	1.8
128.06227	2.2
129.06992	7.7
131.08583	20.1
133.10136	32.2
135.08032	2.9
135.11700	15.5
137.13248	3.2
143.08537	7.6
145.10139	16.2
147.08025	2.0
147.11691	98.2
149.09608	1.8
149.13242	8.9
157.10095	11.0
159.11700	12.7
161.13264	29.8
163.14764	2.7
165.12747	36.8
167.24890	1.6
171.11713	10.7
173.13269	8.3
175.11177	4.1
175.14868	13.7
179.14281	3.3
183.13768	3.9
185.13297	8.7
187.14766	1.9
193.12225	2.2
199.14832	5.1
213.16460	2.2
215.17989	2.0
229.14317	6.0
231.21077	7.8
241.19499	30.4
242.19666	2.0
259.20581	54.4
267.15930	31.8
275.20102	3.2
275.46185	2.0
277.21576	8.3
285.16968	50.9
315.23099	6.4
333.20432	3.0
333.24255	44.2
351.25256	8.6
367.89111	1.8
388.94022	1.8
404.66409	2.1
451.31760	2.1
525.35480	4.4
543.36633	13.7
561.37543	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	561.1399
Annotation	ent-Epiafzelechin-(2alpha->7,4alpha->8)-catechin
Peak:m/z	Relative Intensity
51.02375	1.0
53.03938	1.4
55.01863	2.6
65.03938	2.1
65.44678	0.5
66.07903	0.6
67.05518	1.5
68.99786	2.9
70.06595	0.7
70.95302	1.7
77.03932	1.5
81.03442	0.9
83.04967	0.6
89.03939	0.7
91.05486	1.7
93.03393	1.9
95.04974	2.4
97.02901	1.2
103.05508	0.9
105.03387	2.4
105.04530	0.6
105.06995	0.7
107.04942	2.4
109.02878	0.7
110.22508	0.6
111.04453	5.1
115.05452	1.8
119.04952	5.2
121.02863	2.3
123.04439	100.0
124.04832	1.0
125.02333	1.0
128.06203	0.8
129.06996	1.7
131.04938	1.9
133.06511	0.7
135.04437	7.7
137.02362	5.2
139.03918	71.6
140.04321	1.1
141.06937	1.3
143.04959	1.7
145.06514	0.8
147.04424	15.2
149.02393	1.6
149.05965	0.6
150.03130	0.8
151.03885	1.5
153.05524	1.8
153.06949	1.0
155.03522	0.9
155.04845	1.3
157.06520	2.1
159.04442	2.3
159.07857	0.8
161.06030	5.4
163.03922	66.6
164.04462	0.7
165.05502	7.3
167.03497	1.2
167.04854	0.7
168.05724	0.7
169.06534	2.2
171.04462	2.1
173.05984	3.4
175.03932	1.5
175.07608	0.9
177.05542	1.2
181.06535	3.6
183.04378	1.1
184.05229	0.8
185.05992	5.4
187.03932	3.9
189.05496	3.2
197.06036	5.7
199.03937	1.0
199.07655	0.6
201.05490	4.7
205.04916	0.7
209.06039	3.1
211.03893	0.8
211.07593	1.0
212.04755	1.0
213.05489	10.3
215.07072	1.9
217.04971	1.3
221.06013	1.5
225.05505	5.3
227.07022	3.0
229.04996	8.7
230.05719	3.3
231.06522	5.3
235.03958	0.7
237.05435	4.8
239.07053	1.1
241.05011	8.8
242.05641	1.3
243.06516	11.0
245.04411	1.0
247.06027	7.4
249.05458	1.0
251.07248	1.2
253.05005	6.2
254.05753	0.9
255.06438	11.4
256.07205	4.1
257.04523	1.8
257.08191	1.2
259.06042	42.3
260.06384	1.0
265.04987	3.8
266.05557	0.8
267.06604	1.3
269.04416	2.2
270.05270	1.2
271.06021	23.4
272.06729	4.5
279.06509	1.2
281.04755	0.8
282.05252	1.4
283.06027	9.3
285.07623	1.0
289.07373	0.6
293.08170	0.7
295.05942	3.5
296.06976	1.0
301.08801	1.5
305.08176	0.7
307.06192	1.1
309.08035	0.8
313.07162	1.4
317.08170	1.0
319.09622	0.8
329.08286	1.2
333.07126	0.7
345.07617	1.4
347.09180	1.8
363.08875	0.7
365.10229	3.5
367.07736	0.7
373.07275	0.7
375.08679	6.8
381.09717	1.1
391.08252	5.0
393.09705	25.3
403.89084	0.6
405.09811	5.4
409.09219	34.5
410.09564	0.6
411.10742	3.5
417.09833	8.5
419.07703	1.2
421.09186	8.4
423.10724	5.1
433.09332	3.3
435.10880	3.0
543.12866	11.6
561.13495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.4
55.01881	5.7
55.05519	32.1
57.03446	13.4
57.07082	6.6
61.79613	2.3
65.03941	5.3
67.05511	100.0
69.03426	3.3
69.07074	22.4
69.92025	11.1
71.04992	5.9
79.05497	93.8
81.03422	7.6
81.07063	92.1
83.04988	12.9
83.08617	11.8
90.87103	3.4
91.05489	63.1
93.06481	5.0
93.07053	89.4
95.04980	21.6
95.08612	67.6
96.29926	2.2
97.06544	8.5
97.10165	6.3
99.08099	3.5
105.04511	4.0
105.07037	46.0
107.04951	5.2
107.08592	34.5
108.76818	2.4
109.06509	6.7
109.10168	23.3
117.07020	14.6
119.08584	32.3
121.06515	3.4
121.10163	23.7
123.08077	10.4
123.11727	7.2
129.07031	15.1
131.08585	17.3
133.10124	16.3
135.08047	3.5
135.11697	14.6
137.13257	3.3
141.07004	3.7
143.08586	8.6
145.10130	21.1
147.11707	32.4
149.09651	3.1
149.13274	9.3
150.22560	2.5
155.08606	3.2
157.10149	5.4
159.11703	10.4
161.09592	3.4
161.13213	13.1
163.14828	2.9
169.10155	5.3
171.11713	26.8
173.13280	8.7
175.14844	2.8
177.12782	3.1
185.13159	4.2
187.14838	3.7
189.12766	10.1
207.13817	17.3
219.90108	2.3
223.13289	6.6
225.14734	2.8
261.22079	14.3
274.46411	2.2
279.15945	5.6
281.17487	40.6
281.20441	4.6
288.27835	2.4
317.24954	2.9
335.25912	24.3
342.23700	2.4
416.55276	2.8
449.33795	5.3
485.36569	3.0
541.38904	59.3
559.39880	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.6
55.01859	5.2
55.05510	26.1
57.03434	8.7
57.07058	2.5
57.58015	2.3
61.06263	2.5
65.03941	4.6
67.05508	100.0
69.03421	3.0
69.07066	21.8
69.25709	18.5
71.04989	3.8
79.05498	87.1
81.03408	10.1
81.07059	93.7
83.04993	18.1
83.08609	13.7
85.06537	4.6
91.05486	67.1
93.07047	87.8
95.04979	22.7
95.08611	53.8
97.06525	8.9
97.10154	6.0
99.08103	2.7
104.34980	2.2
105.07039	52.1
107.04988	10.7
107.08603	32.4
109.06528	5.3
109.10162	23.0
111.08048	3.3
115.05474	3.0
117.07017	14.0
117.71696	2.3
119.08585	30.7
121.06490	4.3
121.10147	23.6
123.08089	7.3
123.11729	4.6
125.09650	4.1
127.07473	2.6
128.06227	3.6
129.06999	13.4
131.08559	21.1
133.10124	22.6
135.08051	3.6
135.11702	14.1
141.06975	3.2
143.08583	8.3
145.06500	2.9
145.10135	20.1
147.08067	3.3
147.11703	30.1
149.09610	2.0
149.13226	7.5
151.11220	2.5
155.08517	4.1
157.06511	2.2
157.10153	7.7
159.11716	10.0
161.09677	5.0
161.13263	13.5
163.11198	4.5
163.14862	3.6
169.10176	6.0
171.11684	20.6
173.11745	2.3
173.13208	6.7
173.37273	2.4
175.14859	3.7
183.11696	3.2
185.13297	5.5
187.11221	4.1
187.14786	4.3
189.12752	9.5
197.13402	2.8
203.33379	3.3
207.13785	22.0
243.21040	4.9
261.22125	10.3
273.18558	4.3
275.20044	3.5
279.15933	3.4
281.17456	40.8
291.19565	4.6
317.24994	3.0
335.25845	36.3
393.43167	2.6
449.34546	3.7
460.37863	2.6
467.35297	2.5
541.39136	49.9
542.39465	3.1
559.39221	18.8
578.64734	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58131	2.1
53.03939	10.6
55.01873	5.7
55.05514	34.3
57.03426	10.2
57.07058	3.2
60.62412	2.9
65.03936	6.3
67.05508	100.0
69.07072	21.1
69.52662	2.6
71.04980	5.1
79.05499	88.6
81.03409	7.1
81.07064	92.3
83.04997	12.8
83.08622	15.4
85.06520	6.0
91.05485	72.5
93.06484	4.9
93.07048	87.2
95.04966	25.4
95.08066	4.2
95.08614	61.2
97.02951	2.8
97.06522	6.6
97.10165	7.3
98.21564	7.8
105.04526	2.8
105.07040	45.6
107.04958	8.7
107.08595	31.8
109.06500	7.5
109.08927	2.3
109.10160	22.2
111.08083	5.1
117.07032	15.5
119.08583	36.1
121.06535	2.3
121.10141	17.6
121.80363	2.4
123.08073	10.2
123.11678	5.9
125.09573	2.3
129.07033	17.1
131.08553	26.9
132.08998	2.8
133.06453	2.3
133.10120	21.2
135.08076	3.2
135.11676	12.5
137.13223	2.5
141.06976	5.4
143.08582	18.9
145.10139	18.7
147.11688	42.0
149.13316	7.6
155.08572	4.1
157.10141	7.1
159.11720	16.3
161.13261	14.5
161.18118	2.4
169.10185	5.0
171.11717	27.3
173.13300	4.9
175.14865	3.3
183.11719	6.8
185.13225	3.8
187.14769	4.3
189.12737	9.9
197.13278	3.6
199.14890	4.4
207.13812	21.5
211.14781	3.6
229.37283	4.1
245.19080	3.1
259.20712	3.8
261.22186	10.9
275.20090	3.4
279.15894	5.6
281.17459	38.3
291.19443	7.3
335.25842	38.6
350.76041	2.7
449.34055	3.5
467.34851	4.3
485.36523	4.2
523.38037	3.3
527.37256	12.3
541.38928	56.4
542.38849	3.4
559.40424	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.6
53.04179	2.8
53.88954	2.7
54.21405	2.6
55.01865	5.2
55.05512	43.8
57.03436	11.7
57.07070	8.3
65.03929	3.8
67.05510	100.0
69.07079	36.7
71.05010	4.8
71.08619	2.8
71.36847	2.8
71.37294	2.7
79.05499	74.8
81.03425	9.5
81.07065	93.9
83.04979	11.1
83.08614	22.7
85.06551	3.5
91.05492	66.8
93.07050	65.4
95.04959	19.5
95.08057	5.9
95.08617	70.5
97.06528	13.7
97.10167	11.2
98.77992	3.0
99.08086	5.3
105.07036	59.4
107.04967	13.5
107.08598	37.1
109.06520	9.1
109.10172	27.5
111.08095	3.5
112.74728	3.1
115.05451	3.6
117.07024	32.0
119.08584	44.9
120.29456	2.7
121.06499	6.4
121.10159	19.8
123.08082	7.9
123.11738	7.2
125.09641	8.1
128.06259	7.6
129.07007	20.8
130.07765	3.8
131.08583	55.8
133.10152	25.2
133.97301	3.0
135.08055	8.8
135.11705	21.0
137.09720	3.5
141.07018	13.0
142.07759	8.1
143.08582	44.3
145.06505	5.5
145.10136	50.2
147.08041	3.6
147.11726	21.1
149.09683	5.0
149.13275	11.1
155.08612	21.9
157.10139	32.0
159.08060	5.1
159.11702	33.4
161.13272	11.6
162.15195	3.4
163.11203	9.6
167.08618	8.8
169.10136	20.2
171.11653	20.9
173.13239	15.8
175.14806	6.5
179.08568	3.2
181.10146	13.5
183.11713	16.6
185.13274	14.3
187.11264	5.3
187.14830	9.7
189.12788	5.0
193.12271	4.4
195.11700	13.0
197.13326	14.9
199.14827	16.0
201.16420	6.0
203.17920	3.0
207.11786	6.6
207.13879	10.0
209.13184	7.1
211.14870	10.2
213.16397	9.5
215.17958	3.6
221.13367	5.3
223.14943	6.1
225.16412	10.1
227.12793	11.1
227.17935	5.3
235.14880	4.3
237.16383	4.1
241.19568	9.1
249.16364	4.1
257.18875	4.4
259.20596	4.3
261.22128	7.7
273.18506	9.2
273.50122	3.5
275.20114	6.8
279.15900	7.3
281.17493	6.0
283.15479	3.3
291.19495	8.6
315.23080	4.3
325.25040	3.9
337.25211	6.9
339.26920	4.0
426.39511	3.2
431.33136	16.9
437.33841	5.6
449.34280	20.6
467.35370	19.3
485.36572	16.6
523.37817	15.6
529.38995	18.4
541.39117	82.7
542.38794	4.7
559.40320	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73440	1.8
51.02390	1.5
53.03946	11.2
54.31858	1.8
55.01865	3.0
55.05515	25.8
57.03445	11.8
57.07077	4.4
65.03941	5.3
67.05510	100.0
69.03437	1.8
69.07076	23.5
69.17882	13.0
71.04993	3.2
77.03929	2.1
79.05499	99.5
80.05835	2.5
81.03420	9.2
81.07062	92.2
83.04991	11.1
83.08633	11.7
85.06558	3.5
91.04906	3.2
91.05486	67.0
93.07051	99.4
95.04967	18.0
95.08614	62.3
97.06529	6.7
97.10167	4.5
99.08095	3.2
103.05456	1.8
105.04558	3.5
105.07035	52.9
107.04964	7.8
107.08596	36.2
109.06512	7.5
109.10167	21.9
110.11038	1.8
111.08067	3.6
115.05369	2.0
117.07029	20.3
119.08587	36.1
121.06524	4.5
121.10152	19.5
123.08100	7.0
123.11706	6.1
127.07590	1.9
128.06224	4.6
129.07027	14.9
131.08563	20.6
133.10126	21.7
135.11714	18.1
137.09676	2.8
142.07875	1.8
143.08563	10.7
145.10141	21.5
147.11690	35.9
149.13280	7.8
155.08556	2.7
157.10167	4.8
159.11699	10.6
161.09601	3.9
161.13281	13.0
163.11244	3.1
163.14833	5.8
169.10127	4.0
171.11716	22.6
173.13252	7.6
175.14861	4.1
177.12802	3.0
179.14384	2.7
183.11740	4.5
185.13281	5.9
187.11089	2.5
187.14864	3.1
189.12761	9.2
195.13799	1.9
197.13280	3.5
199.14835	2.4
207.13768	25.6
225.14867	4.4
241.19595	1.7
243.21101	6.0
256.26480	2.6
261.22168	18.9
268.16299	1.6
269.16925	1.5
269.37891	1.6
279.16104	5.0
281.17493	33.9
299.23465	1.8
317.24966	3.9
335.25769	26.2
449.34058	3.8
467.35205	4.2
541.38885	78.0
559.39545	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40437	3.7
53.03942	9.8
55.01868	7.3
55.05515	44.9
57.03433	8.5
57.07070	11.9
65.03352	3.2
65.03941	6.5
67.05511	97.1
69.03414	3.8
69.07072	36.2
69.16753	7.5
69.17160	31.8
71.05000	6.4
71.08624	3.6
79.05068	6.0
79.05497	74.0
81.03407	6.5
81.06586	6.4
81.07062	100.0
83.04980	14.5
83.08632	23.7
85.06526	4.4
89.46505	3.5
91.05483	66.2
93.07045	71.9
95.04965	15.5
95.08614	69.3
97.06535	17.3
97.10164	10.9
98.21663	6.1
99.08124	6.2
105.04491	4.3
105.07035	51.4
107.04932	11.1
107.08586	37.3
109.06504	10.4
109.10172	29.0
111.08088	7.9
115.05460	4.0
115.32252	3.6
117.07012	29.9
119.08592	43.0
120.15572	3.5
121.06517	8.9
121.10176	18.8
123.08108	4.6
123.11709	4.4
125.09624	4.6
128.06215	8.0
129.07034	23.0
131.05035	3.7
131.08549	61.3
133.10153	30.7
135.11650	12.8
137.09567	4.2
137.13246	5.2
141.06987	10.5
142.07790	5.2
143.08580	34.8
145.06514	5.3
145.10133	41.7
147.08032	7.3
147.11674	17.6
149.13255	15.9
155.08560	20.0
157.10135	25.0
159.11679	20.6
161.09631	5.4
161.13260	10.6
163.11191	4.5
167.08563	10.4
169.10115	24.1
171.11713	26.2
173.09593	3.7
173.13278	14.3
175.11127	3.9
175.14864	4.0
177.12805	7.5
181.10141	14.3
183.11687	17.3
185.13280	11.8
187.14827	4.4
195.11748	9.1
195.13573	4.6
197.13261	11.1
199.14801	10.9
201.16426	4.8
207.13724	5.2
209.13242	7.9
211.14790	9.5
213.16406	6.8
223.13147	5.9
225.16422	9.3
227.18005	7.0
237.16438	5.0
263.17691	4.0
273.18430	8.8
279.15936	10.8
281.17566	9.9
291.19595	29.7
315.22867	6.4
325.25311	4.6
332.21545	3.9
334.05148	3.2
335.25848	4.1
431.33060	14.0
435.45654	3.9
437.34277	6.2
449.34418	28.0
467.35547	22.5
485.36047	11.9
523.37610	10.3
529.38928	20.3
531.40656	5.8
541.39081	89.4
542.39081	4.1
559.25049	3.1
559.26880	3.1
559.40411	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13630	3.0
53.03937	9.4
55.01861	3.9
55.05518	35.1
57.03434	13.6
61.09064	2.7
65.03932	5.7
67.05508	93.5
69.07069	28.3
69.37009	13.0
69.37433	12.2
71.04980	3.6
77.03915	3.7
79.05495	89.7
81.03418	11.4
81.07059	88.4
82.63517	2.7
83.04977	12.0
83.08610	12.8
84.82286	3.1
91.05482	74.8
93.07047	100.0
95.04977	20.8
95.08607	55.1
97.06535	6.0
97.10159	5.6
98.21515	7.4
105.04563	5.1
105.07035	54.0
107.04951	8.3
107.08591	38.9
109.06548	4.8
109.10165	19.6
111.08079	4.3
117.07029	14.8
119.08585	33.6
121.06559	3.1
121.10165	18.0
123.08045	4.9
123.11736	6.0
129.06992	21.9
131.08543	19.3
133.10136	19.5
135.11702	12.8
143.08517	14.6
145.10117	23.2
147.11693	46.7
149.13254	6.7
157.10127	4.6
159.11623	8.5
161.09612	4.5
161.13284	14.1
171.11694	27.6
173.13248	7.5
183.11687	7.0
185.13203	4.5
187.14906	3.8
189.12755	13.1
207.13762	23.2
226.00226	3.0
243.21104	4.2
245.53459	3.3
261.22147	9.1
273.87845	3.1
279.15955	6.8
281.17511	46.2
317.24637	3.3
323.24554	2.9
335.25784	48.6
399.98746	3.1
485.36990	3.8
541.38904	71.9
559.40076	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01871	8.4
55.05521	19.0
57.03443	11.3
57.07063	2.7
62.92363	1.7
65.03912	2.5
67.05506	43.7
69.03436	3.5
69.07068	16.0
71.04993	5.1
79.05498	55.6
80.63565	1.4
81.03427	9.5
81.07063	50.0
83.04968	3.7
83.08619	13.6
85.06548	3.7
91.04913	1.9
91.05483	47.1
93.07049	71.6
95.04977	13.6
95.08612	49.1
95.60641	1.5
97.02882	2.8
97.06512	7.1
97.10128	2.4
99.04450	4.0
99.08098	2.4
103.05467	2.1
105.04543	1.8
105.07038	47.7
107.04955	14.1
107.08601	49.4
109.06510	7.2
109.10159	12.9
111.04389	2.0
111.08036	2.9
113.05979	2.8
117.07024	17.1
119.08582	45.8
121.06498	10.5
121.10144	25.9
123.08051	1.7
123.11714	3.0
125.06004	2.1
128.06194	2.9
129.06982	11.9
130.07761	3.0
131.08588	15.1
133.10138	30.6
135.08026	6.9
135.11697	59.9
137.09509	1.8
137.13202	1.5
143.08568	8.3
145.09061	3.1
145.10133	42.2
147.08032	2.6
147.11708	35.8
149.09598	3.0
149.13228	7.9
151.11104	1.7
153.12724	1.6
157.10124	8.3
159.11713	13.3
161.09648	2.0
161.13264	27.4
163.11191	49.4
163.14857	2.5
164.26790	1.6
171.11682	9.8
173.13289	8.4
175.14812	13.1
181.12279	12.4
185.13292	8.8
187.14847	4.6
189.12827	2.0
199.14838	3.2
209.11684	3.7
215.18054	3.0
227.12790	100.0
231.21011	5.7
241.19516	39.1
257.19025	2.1
259.20593	67.4
267.15964	5.7
273.18518	4.7
275.20111	9.0
277.21625	2.2
283.15402	40.1
291.19534	6.2
297.22098	2.1
315.23315	9.4
333.24274	64.2
362.18094	1.8
434.97903	1.8
449.30603	2.1
496.92743	2.0
541.35248	24.8
559.36548	12.2
585.31836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.4
55.01876	9.5
55.05264	2.3
55.05513	23.4
57.03439	28.3
57.07084	3.4
59.76680	1.5
65.03950	7.6
65.30156	1.5
67.05510	83.4
69.03426	3.9
69.07072	20.4
70.62971	3.1
70.63370	3.4
71.04987	5.2
79.05498	61.3
81.03436	8.2
81.07062	75.6
83.04984	8.1
83.08627	16.8
85.06555	20.9
91.05490	50.8
93.07048	61.7
93.07640	3.0
93.63000	1.6
95.04975	55.2
95.08615	28.7
95.09185	3.4
97.06529	9.7
97.10159	2.2
99.08117	2.3
105.04521	2.0
105.07036	30.9
105.95284	1.6
107.04955	13.2
107.08597	34.8
107.09309	2.4
109.06522	69.1
109.07272	3.6
109.10155	12.4
111.08095	6.9
113.06020	38.8
115.05478	2.9
116.06178	1.7
117.07020	21.5
119.08579	17.3
121.06512	7.2
121.10141	17.7
123.08073	6.5
123.11736	3.9
125.09638	2.4
127.07533	2.0
129.07034	12.5
131.08563	26.0
133.06519	4.9
133.10162	17.1
135.08069	42.8
135.11679	11.9
137.09616	1.7
139.65472	1.5
140.26921	2.0
141.07011	3.2
143.08601	10.9
145.06471	2.2
145.10132	18.6
147.08051	9.0
147.11713	7.9
149.09630	6.2
149.13298	13.1
149.22414	1.6
151.11215	1.7
153.95244	1.7
155.08568	3.8
157.10146	11.3
159.08052	3.5
159.11688	14.6
161.09641	9.2
161.13345	2.2
163.11224	5.4
165.09183	1.6
167.08583	2.1
169.10098	3.5
171.11716	5.3
173.13319	3.4
175.11179	3.1
177.12749	7.7
181.10211	1.9
183.11708	5.5
185.13219	3.0
187.11121	3.0
187.14955	1.7
189.16385	1.8
195.11824	3.5
195.13853	7.8
199.14870	3.6
201.12778	3.3
203.14592	1.6
213.12762	1.7
217.15961	15.9
219.13725	2.3
223.13383	2.6
227.17941	3.8
233.15454	2.6
245.18982	2.8
251.16608	2.5
255.17508	3.1
269.17490	11.2
273.18527	43.8
275.20255	3.8
291.19559	100.0
299.20007	1.7
309.20892	3.1
347.22095	8.4
365.23547	2.2
393.44543	1.7
431.28552	1.9
449.30576	2.1
467.31909	2.0
485.32620	2.6
541.35699	13.1
559.36377	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
68.28581	0.5
69.03431	4.0
70.06585	0.7
70.34631	0.5
70.34960	1.4
79.05505	0.8
81.07059	0.8
85.02908	2.2
87.04459	1.4
91.05492	1.0
97.02889	2.0
105.07057	0.8
106.46105	0.6
107.08595	0.4
109.10213	0.5
119.08623	0.6
123.04426	1.3
139.03893	1.2
143.01051	0.9
145.10155	0.5
148.93501	0.5
155.86662	0.5
163.03758	0.5
168.92220	0.4
173.06944	0.4
185.04269	1.8
265.08426	3.2
287.05377	0.5
305.06381	5.0
317.08475	25.6
427.13730	0.7
437.10590	4.8
466.38568	0.5
559.17883	100.0
560.18396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.2
55.01876	8.9
55.05514	37.3
57.03444	14.4
57.07061	5.2
57.70299	1.3
60.83832	1.4
65.03944	6.8
67.05508	91.6
69.03415	2.4
69.07071	30.6
71.04988	5.0
71.08635	29.4
71.51266	1.6
77.03897	2.9
79.05497	100.0
81.03424	16.2
81.07061	93.2
82.07378	2.3
83.04984	24.6
83.08623	17.4
84.34808	1.5
85.06529	6.4
91.04906	2.9
91.05485	81.5
93.07047	90.7
94.07401	1.3
95.01295	2.0
95.04978	25.7
95.08613	57.2
97.02894	2.9
97.06542	13.7
97.10186	9.7
98.77725	1.4
99.08094	18.7
103.05482	2.4
105.04514	4.4
105.07034	59.8
107.04962	21.2
107.08602	45.4
109.06521	10.5
109.10165	18.6
111.04444	3.3
111.08049	5.2
113.09669	2.8
115.05459	2.7
117.07029	22.3
119.04936	1.3
119.08585	36.6
120.08827	1.4
121.06516	5.4
121.09319	2.7
121.10143	31.3
123.08064	6.3
123.11734	3.9
125.05943	1.5
125.09629	3.4
128.06216	4.6
129.07007	18.2
130.88678	1.5
131.08585	22.6
133.06494	3.0
133.10127	25.8
135.08049	4.9
135.11694	35.4
135.54248	1.5
137.05966	2.3
137.09595	5.0
139.11215	2.5
141.06924	3.8
141.09109	2.3
142.07803	2.0
143.08562	11.8
145.06468	2.0
145.10132	18.0
147.08061	3.5
147.11696	24.7
149.09593	4.1
149.13287	12.5
151.11188	12.6
155.08524	3.9
157.10153	7.2
159.11691	11.4
161.09644	5.5
161.13257	20.9
163.11217	11.0
163.14795	2.6
165.08992	1.5
167.10637	2.0
169.10149	5.5
171.11711	23.9
173.09621	2.7
173.13280	5.3
175.11238	1.7
175.14828	3.0
177.12743	6.7
179.14320	84.5
181.10158	2.0
183.11757	2.8
185.13329	3.9
187.11153	3.2
187.14908	3.0
189.12758	7.3
195.11569	2.0
195.13814	2.8
197.13330	2.8
199.14804	2.6
205.12234	2.0
205.15904	2.3
207.13794	13.9
209.11656	2.9
213.16370	2.7
215.14276	2.3
221.15385	2.7
227.12862	2.8
233.15277	4.4
235.16873	3.9
241.19508	3.0
243.17442	1.7
251.46747	1.6
259.20569	5.5
261.18616	3.2
261.21841	1.5
263.16498	2.0
271.16959	3.6
275.20099	2.4
277.21643	60.6
279.15948	5.7
289.17999	12.7
291.19482	4.7
295.22797	2.8
351.25189	2.9
429.31247	1.9
529.35815	2.0
539.38062	8.1
557.38684	58.7
557.51422	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	557.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	1.2
51.02372	1.7
53.03946	9.0
55.01862	4.9
55.05513	25.4
57.03419	3.7
57.07041	4.3
57.18058	1.5
62.44837	1.3
65.03913	5.4
67.05508	82.0
69.03418	2.1
69.07074	18.2
69.25084	4.7
69.25517	6.5
69.50954	1.7
70.06579	2.2
70.90180	1.2
71.04961	2.7
71.08633	32.0
73.06522	1.6
77.03874	1.7
79.05495	90.9
81.03436	11.4
81.07058	81.0
83.04578	1.4
83.04987	14.4
83.08622	12.4
85.06567	2.7
87.04429	1.8
88.07579	2.0
89.06005	2.5
91.05485	79.3
93.07049	86.1
95.04976	20.7
95.08612	51.7
97.06535	11.5
97.10143	3.8
98.20880	4.3
99.08099	23.6
102.09170	1.8
105.04472	3.8
105.07036	52.6
107.04972	14.4
107.08598	39.0
109.06538	7.3
109.10157	15.9
111.08042	4.5
113.09602	3.7
117.07020	12.4
119.08586	35.3
121.06480	5.3
121.10149	31.2
123.08105	6.9
123.11671	2.5
127.07504	1.7
127.11118	2.1
128.06165	3.1
129.07014	16.4
131.08549	14.4
133.06461	1.3
133.10149	19.6
135.08029	1.7
135.10738	2.0
135.11699	31.4
136.97206	1.3
137.09576	2.8
137.13248	1.7
141.06956	1.7
141.09068	4.4
142.07680	1.3
143.08583	11.4
145.10127	16.9
147.08037	3.1
147.11693	24.3
149.09624	2.2
149.13240	12.5
151.11201	13.2
155.08521	3.3
157.10078	2.7
159.11723	8.9
161.09528	2.7
161.13264	21.2
163.11136	5.6
163.14700	1.6
167.10625	2.0
168.98251	1.4
169.10127	2.2
171.11681	18.2
173.13200	5.5
175.11122	1.5
175.14757	3.2
177.12695	5.6
179.14314	100.0
181.12224	1.9
183.11681	2.3
185.13223	4.0
187.14764	2.3
189.12714	9.3
195.13702	1.9
195.92355	1.3
199.14752	3.0
207.13795	10.9
207.70175	1.3
221.15289	2.4
235.16867	5.7
241.19469	4.7
256.26288	4.1
259.20514	6.4
263.16339	2.1
277.21652	68.6
281.17578	2.1
284.26416	1.6
284.29279	3.9
295.22531	5.3
342.81464	1.5
351.25067	2.4
354.20624	1.4
377.94223	1.5
443.43976	1.5
483.34479	1.9
539.37122	5.8
556.53351	1.9
557.38092	60.3
557.53192	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01865	5.6
55.05515	23.9
56.52116	1.4
57.03436	7.8
57.07077	3.8
65.03944	2.9
67.05508	51.8
69.07069	21.7
70.90995	3.7
71.04989	4.1
77.03932	2.0
78.13999	1.3
79.05493	46.9
81.03436	6.6
81.07056	49.6
81.07529	2.5
83.04985	5.3
83.08618	9.0
85.06551	4.5
91.05481	46.9
92.05787	1.5
93.07046	49.8
95.04980	7.4
95.08607	34.7
97.06546	6.0
97.10183	4.4
99.08071	1.7
103.05466	1.6
105.04507	2.0
105.07034	39.5
107.04977	6.8
107.08599	25.2
109.06549	6.4
109.10169	11.3
111.08107	3.6
115.05467	4.2
117.07021	21.5
119.08587	33.0
121.06548	2.8
121.10152	14.2
123.08105	4.7
123.11765	1.9
125.09692	2.7
128.06265	6.0
129.07008	22.7
131.08574	35.3
133.06586	1.5
133.10138	20.6
135.08086	3.0
135.11702	11.8
141.06958	9.0
142.07802	4.7
143.08562	25.1
143.09554	2.1
144.09395	2.0
145.06517	4.7
145.10126	32.5
147.08092	4.4
147.11714	20.5
149.09647	3.1
149.13295	4.4
153.07013	3.0
154.07767	2.6
155.08565	24.2
156.09395	2.6
157.06546	1.9
157.10158	22.1
157.11343	2.2
159.08154	2.8
159.11710	22.0
161.09637	3.3
161.13289	11.4
163.11235	2.3
163.14931	1.6
165.07042	2.8
167.08557	10.0
168.09445	2.1
169.10130	25.2
171.08148	1.5
171.11690	27.0
171.13107	1.4
173.13258	16.1
175.11211	2.8
175.14915	4.7
177.12851	2.3
179.08640	3.0
181.10124	15.6
182.11029	3.0
183.11722	22.4
183.13237	1.9
185.09688	2.9
185.13252	14.8
185.14613	1.5
187.11261	3.7
187.14867	4.5
189.12787	3.4
192.09497	1.9
193.10233	5.5
194.10992	1.4
195.11699	13.8
195.13579	1.9
197.13246	14.5
199.11343	1.7
199.14859	9.8
201.12794	2.2
201.16423	2.6
205.10246	2.0
205.12383	1.9
206.36577	1.3
207.11757	4.2
207.13921	6.9
209.13286	8.6
211.14833	9.5
213.16397	10.5
217.16107	3.0
219.17566	2.0
221.13297	2.8
223.13025	1.5
223.14832	6.9
225.16565	4.1
227.12772	1.5
229.38390	1.3
231.17525	2.0
233.13321	1.6
235.14886	3.6
237.16473	3.8
239.18013	2.8
241.19608	6.0
243.21056	1.5
247.17067	4.2
249.16492	2.3
251.17981	2.4
257.19113	3.9
259.20593	13.6
261.22116	3.5
269.19305	2.0
271.20490	1.6
275.20245	2.9
277.21808	2.2
279.16052	5.4
281.17474	8.4
287.20093	1.8
297.18793	1.5
297.22281	3.0
307.20404	1.8
309.22052	2.9
311.20245	3.2
311.23651	1.8
313.25372	1.8
321.22006	2.0
323.23901	4.7
325.21640	2.1
327.23126	2.0
333.24344	5.4
334.77011	1.8
335.23715	2.0
349.25476	1.8
353.24854	4.0
367.26440	2.2
381.27911	1.5
390.48871	1.6
419.33408	4.2
429.31674	6.5
437.34302	10.6
447.32721	27.3
447.38458	1.8
455.35513	2.1
465.33780	33.9
470.63751	1.5
483.34851	21.6
485.34378	2.1
501.35971	2.1
503.35205	1.6
511.38568	2.0
521.36517	9.6
527.37488	2.8
529.38647	8.5
539.37378	100.0
540.38031	2.7
557.38562	59.2
558.38831	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.05518	17.5
57.03429	5.0
57.07069	3.8
65.03926	3.6
67.05508	38.5
69.07074	14.9
69.26603	17.7
69.26958	2.6
71.04998	3.9
71.08601	2.5
79.05501	36.0
81.03416	4.0
81.07070	38.0
81.16562	1.8
83.04971	4.6
83.08611	6.9
91.05489	34.6
93.07050	34.7
95.04991	4.8
95.08617	26.6
97.06540	4.0
97.10184	3.6
105.06395	3.3
105.07040	37.6
107.04967	3.9
107.08606	17.1
109.06493	2.5
109.10155	9.7
115.05506	2.5
117.07024	16.6
119.08597	30.9
120.80441	1.8
121.06490	2.3
121.10153	7.8
123.08048	2.6
125.09657	2.2
128.06204	4.6
129.07022	17.8
131.08583	34.3
132.28300	2.6
133.10117	16.1
135.11690	6.2
137.09692	2.0
141.06981	8.5
142.07774	4.4
143.08559	21.9
145.06552	2.5
145.10121	27.4
147.11688	17.2
149.09647	2.6
149.13243	3.1
153.06943	2.5
154.07846	2.1
155.08571	21.8
156.09373	3.5
157.10121	18.4
159.11714	18.7
161.13251	10.1
165.07039	2.4
167.08562	7.9
168.09305	3.2
169.10139	20.8
171.08061	2.2
171.11681	19.6
173.13297	11.3
179.08609	3.1
181.10173	14.3
181.51973	1.9
183.11696	16.2
185.13246	13.8
187.11273	2.2
187.14861	3.7
195.11708	11.2
195.13377	2.1
197.09805	2.1
197.13345	12.7
199.14833	6.9
207.11691	4.2
207.13744	3.5
209.13229	6.5
211.14833	7.5
213.16417	9.8
219.11903	2.5
223.14813	4.6
225.16513	3.5
237.16422	4.2
241.19502	6.7
247.16914	3.3
249.16338	2.2
257.19290	2.0
259.20609	11.6
263.17737	2.3
279.16000	4.9
281.17566	9.7
333.24124	6.7
335.23828	3.5
341.24954	2.2
353.24490	2.5
419.32983	5.1
429.31671	5.4
437.34155	13.8
447.32602	25.8
465.33737	30.3
483.34711	15.3
501.35748	3.3
503.34628	3.3
511.37494	3.4
521.36194	9.3
529.38788	8.2
539.37372	100.0
540.37799	4.1
557.38403	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.01868	3.3
55.05515	24.4
57.03441	6.7
57.07087	5.2
65.03936	2.6
67.05177	4.7
67.05512	57.2
68.42574	2.5
69.07066	21.8
70.90894	7.4
79.05497	50.0
81.03435	5.3
81.06654	4.4
81.07072	55.0
83.04993	5.6
83.08637	9.0
85.06538	5.1
85.49381	2.5
91.05489	46.6
93.07052	46.6
95.04978	11.7
95.08616	36.4
97.06543	8.0
97.10194	2.9
101.84502	2.6
103.05547	4.1
105.07045	46.7
106.07407	4.1
107.04951	7.4
107.08612	26.8
109.06525	5.0
109.10161	13.7
117.07034	22.7
119.08591	39.2
121.10146	15.5
123.08085	6.6
125.09665	3.9
128.06209	5.7
129.07021	23.5
131.08591	38.5
133.10155	23.0
135.08069	3.8
135.11722	12.6
141.06984	7.1
142.07803	4.5
143.08585	29.2
145.10133	31.5
147.08044	3.5
147.11694	22.7
149.09654	3.8
149.13304	4.6
155.08571	22.7
156.09338	3.5
157.10141	23.4
159.08005	2.6
159.11687	21.5
161.09607	3.8
161.13280	10.5
163.11156	6.4
167.08601	10.8
168.09427	3.1
169.10127	28.6
171.11705	24.0
173.09616	4.1
173.13269	12.3
175.14856	3.4
177.12791	2.7
181.10118	12.0
183.11742	18.0
185.13350	17.0
187.11206	3.1
187.14842	4.2
189.12799	3.2
193.10162	3.9
195.11719	12.9
197.13184	12.3
199.14868	9.2
201.16481	3.2
207.11815	5.6
207.13843	5.5
209.13327	11.2
211.14853	8.8
213.16399	11.3
214.63251	2.8
221.13222	4.1
223.14861	7.4
227.12816	7.2
237.16359	4.2
239.17809	2.6
241.19556	9.3
247.14798	3.0
247.17157	4.7
257.19113	4.6
259.20624	11.2
275.20145	9.6
279.15799	4.1
281.17636	9.7
297.22046	5.0
331.22922	2.9
333.24197	5.5
335.23788	3.7
339.23065	2.8
372.19711	2.8
429.31427	8.8
437.34045	13.1
447.32608	27.3
455.35385	2.7
465.33688	32.4
468.22742	2.8
483.34924	19.7
501.35858	4.2
521.36230	7.9
529.38745	8.3
539.37390	100.0
557.38483	55.2
560.06372	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46443	2.0
53.03934	4.1
55.01884	2.6
55.05524	17.0
57.03437	7.9
57.07057	2.6
65.03933	5.2
67.05180	3.4
67.05511	42.3
68.81389	2.3
69.03338	2.4
69.07072	18.5
69.26238	14.9
69.26649	6.9
71.04978	2.4
79.05504	34.1
80.47466	2.5
81.03429	4.6
81.06590	3.0
81.07063	42.6
82.06325	2.0
83.04996	3.2
83.08614	9.8
91.05486	38.0
91.76884	2.3
93.07052	38.7
95.04955	6.2
95.08614	29.5
97.06523	5.7
97.10154	5.5
105.07045	42.1
107.04954	5.8
107.08596	22.1
109.06518	3.7
109.10162	12.1
117.07018	19.2
119.08588	29.8
120.06878	2.4
121.06404	2.0
121.10127	10.8
123.08092	5.4
128.06213	3.4
129.07002	17.1
131.08575	34.1
133.10136	20.6
135.08080	3.1
135.11700	11.9
141.06985	7.0
142.07742	3.2
143.08580	25.9
145.06557	2.8
145.10126	27.6
147.08142	2.9
147.11694	19.4
149.13278	6.8
151.45007	2.2
155.08586	22.0
155.30054	2.3
157.10146	25.1
159.08069	2.9
159.11726	20.8
161.13258	13.3
163.11121	3.3
165.06996	2.7
167.08551	9.0
168.09360	2.7
169.10153	26.2
171.11694	27.3
173.09634	2.7
173.13255	13.3
175.11081	2.5
175.14864	5.4
180.09291	2.4
181.10110	16.7
182.11000	2.3
183.11737	21.1
185.13280	13.8
187.14835	6.8
189.12650	3.0
193.10136	5.4
195.11726	11.8
197.13290	14.9
199.14799	9.9
201.16444	3.3
207.11787	3.6
207.13789	6.2
209.13321	10.6
211.14867	7.3
213.16383	13.4
221.13275	4.0
223.14851	6.7
225.16354	4.8
235.14873	5.0
237.16389	4.9
241.19440	5.7
247.14732	2.5
247.17015	2.9
249.16360	2.9
251.17896	2.8
253.19504	2.4
257.18719	2.7
259.20554	15.5
279.15768	4.6
281.17456	13.8
285.22092	3.9
295.20630	2.2
297.22205	2.3
301.76877	2.6
307.20435	2.7
323.23779	3.1
333.24286	9.4
334.82916	2.3
339.23135	3.0
353.24847	4.3
367.26373	5.1
389.99734	2.2
419.33414	4.4
429.31595	6.6
437.33972	15.2
447.32568	30.1
465.33649	32.6
483.34888	21.2
485.33957	2.6
501.35559	3.1
511.37756	4.8
521.36133	11.8
527.37506	3.3
529.38519	10.8
539.37366	100.0
540.37427	6.7
557.38458	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93782	2.4
53.03942	8.1
55.05317	2.0
55.05512	23.7
57.03419	3.9
57.07079	2.9
65.03947	3.4
67.05178	4.4
67.05507	49.6
69.07063	17.5
70.90435	5.1
71.04986	3.9
79.05499	40.9
81.07060	46.8
83.08626	11.1
85.06541	4.6
91.05479	41.4
93.07050	38.0
95.04989	6.8
95.08611	30.9
97.06548	3.6
97.10181	6.3
103.05550	2.8
105.04475	3.4
105.07027	39.4
107.04945	7.9
107.08607	18.8
109.10165	13.7
117.07030	17.5
119.08587	29.8
121.06530	3.2
121.10186	13.5
123.08074	5.5
128.06212	5.9
129.07011	18.9
131.08580	32.8
133.10146	21.6
135.11691	10.8
141.07007	6.6
142.07774	5.1
143.08582	28.8
145.06467	4.0
145.10124	28.4
147.11673	15.1
149.13252	4.6
154.07761	3.3
155.08540	16.7
157.06406	2.9
157.10136	25.3
159.08011	2.9
159.11691	17.3
161.09633	2.8
161.13258	9.7
165.07062	2.6
167.08606	9.0
168.09386	3.2
169.10153	25.9
171.11710	28.5
173.13263	16.2
175.14841	4.2
181.10153	14.6
182.10928	3.6
183.11694	18.2
185.09697	2.5
185.13257	17.9
187.11205	2.9
187.14879	4.0
193.10080	7.2
195.11668	14.4
197.13245	18.9
199.14781	8.2
201.16454	2.3
207.11755	5.2
207.13768	5.6
209.13316	12.2
211.14809	9.7
213.16425	13.5
221.13268	6.0
223.14885	6.2
225.16402	4.6
235.14789	3.0
237.16333	3.9
241.16032	2.7
241.19466	6.9
241.21886	2.4
247.16963	4.1
251.17857	4.8
259.20654	10.6
279.15686	3.1
281.17542	10.5
286.26154	2.3
311.24112	2.2
323.23190	3.7
333.24255	5.1
335.23825	3.5
337.25317	3.3
339.23203	3.2
349.25171	3.4
353.24844	2.4
368.38727	2.3
419.32971	3.1
429.31824	6.2
437.34067	8.6
447.32755	28.8
465.33636	26.5
483.34741	14.7
493.37015	2.9
511.37491	3.8
521.36023	12.7
529.38910	9.6
539.37341	100.0
540.37421	3.3
557.38385	52.8
558.38214	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	557.3476
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
51.08636	2.2
53.03941	7.8
55.01871	13.2
55.05266	3.5
55.05513	40.9
55.47698	2.0
57.03421	4.9
57.07088	3.0
57.12672	1.8
65.03961	2.5
65.06075	2.2
67.05505	53.9
69.03423	4.8
69.07063	19.1
69.25622	14.4
69.26029	5.4
70.84415	2.0
71.04995	4.7
71.24748	2.1
79.05495	49.4
80.67482	2.1
81.03425	19.4
81.07053	52.8
83.04975	7.8
83.08621	23.7
85.06541	5.3
90.29755	2.1
91.05483	50.5
93.07050	41.2
95.04990	15.0
95.08608	25.8
97.02860	3.6
97.06537	3.7
97.10181	26.5
103.05495	4.6
105.04559	2.8
105.07030	49.1
107.04956	8.1
107.08582	24.9
109.02883	10.0
109.06524	8.7
109.10148	22.4
111.04475	4.5
111.08092	4.1
115.05408	4.4
117.07037	25.9
119.08588	29.9
121.06525	8.3
121.10172	12.3
123.04418	2.8
123.08067	4.5
125.09633	14.2
128.06215	6.9
129.07011	19.0
131.08577	34.9
133.06577	4.6
133.10127	24.9
135.08049	8.4
135.11691	8.4
141.07010	6.2
142.07790	5.3
143.08557	22.7
145.06520	3.8
145.10117	29.7
145.11195	3.4
147.08075	6.6
147.11676	8.6
149.09645	4.3
149.13300	3.2
151.11174	4.7
153.06976	3.3
153.09154	2.4
154.16304	2.3
155.08542	13.6
157.06453	2.3
157.10141	20.4
159.08070	8.4
159.11703	13.1
161.09613	9.1
163.11176	5.0
167.08606	8.5
167.89743	2.9
169.10092	12.1
171.07997	4.7
171.10385	2.3
171.11635	11.8
173.13257	8.8
175.11240	4.8
179.08618	3.5
179.10635	2.3
181.10127	7.0
183.11754	11.0
185.09560	4.5
185.13232	10.6
187.11177	5.2
187.14795	3.3
189.09158	4.4
189.11205	9.2
191.10654	2.9
193.10170	4.5
193.12314	3.1
195.08089	2.9
195.11737	9.0
197.09578	5.1
197.13261	12.3
199.11201	4.3
199.14915	5.3
201.09033	2.7
207.11789	2.5
209.13335	5.6
211.11183	2.7
211.14854	4.3
213.12718	5.3
213.16391	3.7
215.14413	2.8
221.13283	2.9
223.11192	2.6
223.14842	2.7
225.12952	4.9
227.10898	2.8
227.12604	10.9
235.14789	3.0
239.18073	4.4
253.14450	7.1
257.19043	7.1
259.20657	6.5
269.19089	3.8
271.17038	3.5
273.18506	5.6
275.20135	12.7
276.93314	2.2
281.13861	8.3
283.20477	2.6
285.22180	6.7
287.20135	8.6
291.19620	9.1
293.19098	2.3
295.20459	3.2
297.18570	3.0
309.22021	2.2
311.20029	4.4
313.21606	21.2
329.21191	3.3
353.21054	3.4
401.28415	3.3
419.29596	10.8
429.28000	3.3
437.30359	12.9
447.28873	22.6
455.31412	5.1
465.30029	50.2
483.31055	28.1
495.34650	2.3
511.34360	18.1
513.35657	5.7
521.32532	7.0
529.35400	34.4
539.33691	75.7
540.34412	3.2
557.34735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47726	2.6
51.50660	2.3
56.41198	2.5
69.03407	3.3
71.50610	3.7
73.16477	2.3
80.57384	2.6
82.99870	7.2
85.02918	4.2
97.02900	5.6
101.00879	53.8
101.01503	4.4
109.01424	4.0
109.02889	4.1
113.00901	16.5
117.04024	6.6
119.01927	53.0
119.04995	3.4
127.02395	23.4
129.04005	4.0
131.01898	24.1
133.03520	2.9
137.02933	3.8
139.02391	5.2
141.03967	9.1
143.01891	56.5
144.71449	2.4
145.03468	75.1
146.08151	2.3
147.01332	4.7
147.04440	7.3
153.04013	3.8
155.01894	35.4
157.03499	17.2
157.71461	2.4
159.05032	25.6
161.02977	41.3
163.04533	8.6
167.01936	16.8
169.03470	70.3
171.01385	8.8
171.05031	17.4
173.02962	36.5
175.04446	2.5
179.01939	6.7
181.03476	13.3
183.05067	5.9
185.02969	68.9
185.04604	3.5
187.04524	100.0
189.02437	19.5
197.02931	20.1
199.04494	19.3
201.06096	3.1
203.04054	17.6
209.02956	3.8
211.04587	19.6
213.02443	28.6
213.06010	6.5
215.00502	3.8
215.03983	9.8
221.05023	4.8
223.04593	4.5
225.02405	8.4
227.03975	15.3
229.05630	6.8
231.03485	32.3
241.05545	2.5
243.03484	6.0
245.05095	98.2
246.05223	3.0
247.04865	3.0
257.01434	9.7
257.05222	4.0
263.06195	14.3
271.06680	21.2
273.04623	6.0
275.02463	84.1
275.06042	9.5
276.02798	2.8
287.02524	28.9
287.09128	2.9
293.03494	14.6
293.07184	8.0
305.03571	25.3
305.07205	10.2
315.05692	9.5
317.03738	3.9
333.06589	5.0
335.04590	30.5
335.08154	3.6
341.03500	7.5
359.04489	28.4
365.09488	5.7
377.05597	57.7
395.06689	84.4
515.13641	3.2
521.36560	3.0
539.10913	9.1
557.12256	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	557.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01894	2.6
69.03436	3.7
69.55634	18.6
81.03419	3.8
82.99860	4.1
84.10547	2.8
85.02896	4.9
91.05484	5.4
97.02881	5.5
101.00880	49.2
109.02870	5.3
112.53435	2.6
113.00867	12.8
117.03992	5.8
117.18937	3.0
117.96196	2.9
119.01938	65.3
119.04985	5.4
127.02416	16.9
127.03943	5.1
129.03986	4.2
131.01915	27.1
137.03003	4.1
139.02397	5.3
141.03964	8.5
143.01907	46.6
144.06667	2.7
145.03508	78.5
147.04468	12.8
155.01903	37.6
157.03459	17.9
159.05022	25.4
161.02977	42.4
163.04547	13.1
167.01912	16.7
169.03473	76.1
171.01424	12.6
171.05058	17.0
173.02966	44.0
173.06520	3.6
175.04558	5.3
177.05522	10.5
179.01892	5.1
181.03557	15.8
185.02959	65.9
187.04533	88.7
189.00941	4.1
189.02487	27.9
191.04080	4.6
197.02985	20.1
199.04544	21.1
201.02422	4.0
201.06122	3.0
203.04024	19.6
207.03514	4.0
209.02910	6.2
211.04561	20.0
213.02426	29.7
213.06100	6.3
215.04044	17.8
221.03026	3.2
221.05038	4.7
223.04605	6.4
225.02380	9.4
227.03976	13.9
229.05644	9.2
231.03517	29.8
235.04495	3.3
243.03604	5.4
245.05096	100.0
246.05252	3.2
253.05615	4.7
257.01459	11.3
257.04898	3.1
261.04605	3.5
263.06192	10.7
271.06750	20.1
273.04672	3.6
275.02484	90.3
275.06064	16.6
276.02628	3.3
287.02530	30.0
293.03522	21.9
293.06973	5.2
297.04614	4.1
305.03537	28.0
305.07245	11.5
315.05658	9.6
317.03568	4.9
335.04550	31.7
335.08060	3.4
339.97870	2.9
341.03552	7.4
341.58810	3.0
359.04642	30.5
365.09378	10.2
377.05652	66.7
395.06757	81.7
521.08972	3.8
539.10498	5.9
557.11926	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	556.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.6
59.54924	1.7
69.03432	16.7
70.95535	2.3
70.95869	3.6
74.45345	1.7
77.33211	1.9
81.03414	2.4
85.02931	11.5
87.04472	8.7
87.07233	1.9
91.05486	100.0
97.02899	9.8
115.03954	15.0
116.95428	1.8
121.06486	2.6
123.04438	4.5
124.03928	2.0
125.02491	2.0
125.50249	1.6
129.83965	2.1
131.09590	1.8
133.04990	13.6
133.07048	2.3
136.49490	1.8
139.03900	8.8
156.97943	2.0
162.09177	2.0
163.03725	1.9
167.03419	3.1
167.07056	3.2
176.14275	2.4
229.07397	2.4
233.04242	2.3
245.08148	3.4
269.08298	3.7
273.08115	1.7
293.13004	3.9
297.12247	3.3
307.10742	2.5
313.15433	2.4
317.11127	5.8
323.09192	2.2
341.10358	2.1
351.09894	5.3
353.14859	4.2
371.15997	2.9
398.14633	4.4
524.20343	5.5
538.21582	7.7
546.65906	2.4
556.22443	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	555.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.3
53.03947	9.2
55.01876	28.5
55.05514	27.7
55.64211	1.0
57.03410	4.6
57.07059	2.1
60.37064	1.0
65.03920	4.0
67.05509	72.0
67.53738	1.2
69.03403	1.8
69.07072	36.6
69.27901	2.3
69.28315	7.5
71.04967	3.0
73.06523	1.8
77.03916	2.8
79.05499	77.4
81.03421	14.7
81.07062	71.2
83.04985	14.7
83.08630	12.0
85.06531	2.1
91.05486	84.4
93.07050	61.5
95.01341	10.8
95.04975	22.4
95.08611	49.0
97.02839	1.5
97.06537	52.3
97.10164	5.1
99.08064	2.4
101.05959	1.0
103.05405	3.2
105.04475	3.0
105.07039	84.5
107.04961	28.8
107.08602	25.0
109.06532	9.5
109.10162	12.7
111.04411	1.3
111.08040	4.0
113.05991	1.2
113.09621	2.5
115.05399	3.3
116.06220	1.0
117.06252	1.2
117.07024	21.2
119.08591	49.8
121.06532	6.2
121.10143	14.2
123.04404	1.9
123.08092	8.1
123.11639	1.9
125.09561	2.5
128.06157	3.6
129.07011	13.1
129.61397	1.1
131.07629	1.3
131.08571	26.1
133.06433	2.2
133.10141	39.9
133.74792	1.2
135.08020	4.8
135.11687	9.1
137.09552	4.0
139.07506	2.7
141.06943	2.6
142.07843	1.4
143.08565	8.5
145.06432	4.2
145.09076	1.7
145.10135	24.1
147.08018	2.3
147.11696	32.2
149.09624	8.6
149.13205	4.3
151.11183	2.8
155.08513	3.9
156.09293	1.2
157.10129	5.1
159.08064	2.2
159.11702	13.0
161.09564	3.2
161.13278	12.3
163.11153	7.3
165.09071	2.3
169.10156	5.4
171.11700	20.5
173.09486	1.4
173.13251	5.9
175.11156	1.2
175.14772	1.5
177.12791	5.1
179.12787	1.1
179.14311	21.1
183.11635	4.4
185.13190	2.4
187.11194	5.4
187.14775	1.9
189.12721	6.5
193.12131	1.0
195.11633	1.9
195.13577	1.6
197.13196	2.9
199.14757	1.6
201.82025	1.1
205.12222	2.5
207.13753	9.9
211.14700	1.2
219.17509	7.1
223.13156	1.4
229.19380	3.3
233.15228	1.3
239.17834	2.9
241.19501	1.4
247.20471	4.5
257.19037	7.6
259.20483	3.1
263.16287	2.7
265.47604	1.0
275.20084	100.0
279.15918	10.8
293.21063	10.7
297.17017	1.3
349.23633	3.9
437.77502	1.2
445.30365	1.1
463.31470	1.2
537.35571	3.4
543.36206	1.0
555.36560	47.4
556.36316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81985	1.5
51.02366	1.8
53.03949	11.9
55.01641	1.5
55.01877	19.2
55.05268	2.7
55.05513	33.3
57.03429	5.6
57.07061	2.1
64.68890	1.6
65.03933	6.5
67.05508	82.4
69.03425	2.3
69.07069	37.8
69.20940	16.0
71.04978	5.3
73.06564	2.3
79.05495	99.7
80.05789	1.7
81.03432	13.6
81.07056	77.9
83.04995	14.2
83.08627	11.2
85.06542	5.1
91.05482	100.0
93.07047	78.3
95.01302	3.2
95.04974	23.4
95.08608	42.1
97.06531	27.5
97.10172	6.7
99.08155	2.2
100.77786	1.7
103.05468	5.0
105.04528	4.9
105.07036	77.9
106.07313	1.7
107.04958	17.4
107.08603	40.1
109.06535	13.3
109.10160	15.1
111.08124	3.9
113.09630	2.4
115.05464	4.7
116.06234	1.9
116.23773	1.6
117.07021	36.9
119.08587	49.7
121.06511	6.2
121.10159	15.4
123.08089	8.5
123.11687	3.1
125.09633	4.3
128.06261	6.1
129.07016	26.7
130.07773	2.4
131.08575	33.9
133.06540	3.1
133.10135	37.3
135.08058	4.7
135.11708	11.5
137.09607	4.8
141.06975	6.9
142.07777	3.4
143.08554	18.1
145.06505	2.3
145.10129	42.5
147.08051	4.8
147.11691	37.0
149.09639	17.8
151.11212	2.9
155.08563	7.5
157.10155	9.6
159.11694	25.8
161.09666	7.5
161.13275	17.4
163.11174	13.9
165.46613	1.5
167.08583	4.2
169.10126	11.3
171.11693	28.1
173.09792	1.8
173.13287	9.1
177.12744	4.8
179.14305	11.9
181.10153	4.5
183.11708	8.6
185.13324	4.8
187.11221	4.9
187.14870	2.2
189.12733	11.5
195.11703	2.6
197.13336	6.5
197.90358	1.7
199.14833	2.9
201.12807	2.5
207.11887	3.0
207.13797	16.7
209.13329	2.3
211.14864	2.8
215.14325	2.0
219.17525	3.5
221.13351	1.6
229.19478	7.8
233.15530	1.9
239.17909	9.1
247.20653	5.6
257.19006	42.3
257.21588	2.9
259.20499	2.2
275.20081	76.3
279.15964	2.2
281.17542	10.8
293.21188	7.0
312.78970	1.7
331.22717	4.5
349.23947	3.8
445.30942	3.6
447.43246	1.6
463.32239	3.8
481.33319	3.0
503.03311	1.7
537.35608	15.3
555.36841	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.4
53.03946	10.7
55.01875	29.3
55.05264	2.2
55.05513	27.7
57.03444	3.1
57.07075	1.4
65.03939	4.6
65.70554	1.3
67.05508	72.6
69.03432	1.6
69.07074	37.7
70.90488	3.5
71.05000	2.8
73.06554	2.0
78.06084	1.5
78.26293	1.5
79.05496	78.5
81.03423	16.2
81.07060	67.2
83.04980	12.8
83.08621	8.7
83.23978	1.4
85.06550	3.0
91.05485	84.6
93.07047	63.7
95.01344	12.9
95.04977	20.0
95.08611	45.0
97.02886	1.6
97.06534	56.5
97.07159	3.2
97.10180	7.1
98.98485	1.8
99.08097	2.0
103.05492	1.6
103.40613	1.5
105.04523	1.9
105.07036	80.4
107.04964	25.8
107.08593	26.5
109.06548	7.2
109.10168	9.4
111.08089	3.3
115.05442	3.4
116.73482	1.4
117.07030	21.7
119.08594	44.1
121.06511	4.9
121.10163	11.9
121.10988	2.2
123.04426	2.4
123.08081	7.1
123.11723	2.3
125.09646	4.4
128.06248	2.9
129.07028	13.2
130.07773	2.0
131.08568	24.5
133.10138	38.6
135.08043	4.7
135.11746	7.1
137.09616	4.6
139.07532	3.9
141.06995	3.5
143.08545	9.7
145.06511	1.5
145.10115	19.3
147.08084	1.7
147.11690	33.3
149.09637	10.1
149.13266	2.8
151.11154	1.9
155.01080	2.8
155.08549	3.0
157.10155	4.2
159.08080	1.9
159.11693	12.8
161.09595	2.2
161.13272	15.1
163.11176	7.7
165.09135	2.8
169.10112	5.9
171.11707	16.3
173.13242	6.6
175.11139	2.0
177.12773	6.5
178.68842	1.4
179.14296	20.0
183.11658	3.4
185.13220	3.5
187.11243	5.2
187.14880	1.6
189.12669	8.0
195.13840	2.8
197.13216	3.5
205.12354	2.0
207.13855	11.4
211.14874	1.9
215.14265	2.0
226.55392	1.3
229.19557	4.2
239.18022	2.3
247.20537	4.7
247.22879	1.6
257.19049	9.3
259.20538	4.1
263.16382	2.5
265.67380	1.4
275.20078	100.0
279.15991	5.8
293.21130	6.9
343.22760	1.5
349.23871	4.2
433.13489	1.6
494.65128	1.6
555.36816	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	555.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.5
53.03958	13.4
55.01637	1.3
55.01875	16.2
55.05515	33.5
57.03436	5.8
57.03690	1.3
57.07087	3.4
59.05010	1.2
65.03940	5.6
67.05510	71.8
69.03424	2.7
69.07073	30.9
71.05000	3.3
72.09594	1.2
73.06597	1.5
77.03931	2.6
79.05499	100.0
81.03424	9.7
81.07061	66.0
81.46848	1.2
83.04989	15.7
83.08624	10.2
85.06577	2.9
91.05486	83.8
93.07050	66.7
95.01308	1.7
95.04980	21.7
95.08612	41.5
95.96921	1.1
97.06543	22.9
97.10165	7.1
98.21575	1.9
99.08091	1.6
103.05471	4.2
105.04532	3.4
105.07037	72.5
107.04965	17.5
107.08602	46.5
109.06532	10.7
109.10168	14.6
111.08083	2.9
115.05459	4.7
117.07023	23.5
119.08585	44.8
121.06508	3.8
121.10146	16.2
123.08081	4.9
123.11691	3.3
125.09648	7.1
128.06256	5.3
129.07021	22.7
130.07779	3.8
131.08574	26.1
133.06502	2.3
133.10132	29.6
135.08043	5.6
135.11703	8.0
137.09644	2.2
141.07005	5.2
142.07739	2.8
143.08583	17.6
145.06499	3.1
145.10130	41.8
147.08075	4.7
147.11688	31.0
149.09627	17.0
149.13277	3.1
151.11174	2.6
155.08592	5.9
156.09380	2.7
157.10143	9.7
159.08096	2.1
159.11710	17.8
161.09631	4.3
161.13300	10.7
163.11179	11.9
165.12805	1.4
167.08603	1.4
168.09274	1.6
169.10109	9.2
171.11700	23.5
173.09656	3.1
173.13239	8.8
175.11282	1.4
177.12796	3.3
179.14389	6.5
181.10165	2.3
183.11697	8.5
185.13283	4.0
187.11208	3.7
187.14886	2.4
189.11256	2.3
189.12813	7.4
193.69644	1.4
195.11732	3.8
197.13303	5.7
199.14883	1.6
201.12738	1.7
207.11891	2.8
207.13799	16.6
209.13220	1.9
211.14847	1.8
223.14980	1.8
227.12740	1.6
229.15640	1.6
229.19540	4.0
235.14796	1.5
239.18042	6.3
247.20744	1.5
257.19022	26.9
263.16135	1.3
275.20071	63.2
276.20233	1.5
279.15857	2.1
281.17514	7.7
288.07550	1.2
293.21219	5.5
311.23706	1.6
313.21652	2.8
319.27631	1.3
331.22708	5.6
349.23779	2.0
383.42624	1.4
395.11392	1.2
445.31018	2.6
463.32095	3.3
481.33124	2.7
537.35718	10.5
555.36829	68.5
556.37329	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37079	5.1
56.45911	6.0
57.03429	5.0
60.90321	4.4
69.03423	14.3
70.06574	5.6
79.05468	10.0
81.03413	10.9
81.07050	6.2
83.08562	4.6
85.02913	13.2
85.55311	5.5
87.04469	10.4
91.05475	7.9
95.08617	7.1
97.02866	14.4
98.19485	4.9
103.05425	6.4
105.07041	100.0
107.08609	5.1
112.81644	5.0
115.03966	12.5
121.06543	10.4
123.04479	12.1
133.04977	15.7
139.03903	15.5
151.03873	11.0
154.04970	12.5
193.08656	5.5
210.99745	5.6
243.10097	10.0
252.16089	6.0
386.84592	5.1
536.31848	8.8
554.32648	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	554.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.5
69.41077	1.8
69.41490	0.6
91.47111	0.3
97.02897	100.0
98.03265	0.6
98.20822	0.7
121.02875	13.2
133.02882	0.4
139.03928	0.6
140.35225	0.3
151.03954	1.6
217.04964	8.1
235.06004	4.8
253.07109	3.1
485.14490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05515	1.3
67.05513	2.5
70.95896	1.1
79.05502	1.4
79.78366	0.5
80.99963	0.6
81.07066	0.9
83.01118	1.1
83.08635	0.6
91.05483	1.4
92.43524	0.5
93.07027	1.2
95.01117	0.6
95.05003	1.2
95.08640	0.9
97.10181	0.8
105.07030	0.7
107.08622	1.0
109.06526	0.6
109.10150	0.9
119.08626	1.1
131.08572	1.2
133.47629	0.5
151.12593	0.5
182.10281	0.6
185.04279	1.4
197.13084	0.5
201.00980	0.6
201.03806	1.7
203.05313	1.4
220.22702	0.5
259.07947	2.0
291.19540	0.8
317.19672	0.8
327.90311	0.5
331.10089	2.7
373.14978	0.8
391.24597	0.9
415.19571	0.9
441.21384	0.7
483.22003	1.9
553.29858	100.0
554.30463	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	553.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70110	0.9
53.03943	1.6
55.01854	1.0
55.05500	3.1
57.03436	1.1
62.96214	0.8
65.03948	4.1
67.05511	5.9
69.03416	3.0
69.07069	4.9
71.04985	1.1
79.05486	2.0
81.03432	3.8
81.07061	5.1
82.04220	1.2
83.04960	2.3
83.08585	1.1
85.02910	4.2
86.09678	0.9
89.39676	0.8
89.89426	0.7
91.05472	3.2
91.38271	0.8
93.03424	2.2
93.07024	2.2
95.04961	2.5
95.08632	6.4
97.02888	2.3
97.06506	2.4
97.10186	1.2
99.04423	1.2
104.10750	1.5
105.07027	2.5
107.08596	4.2
108.02069	1.6
108.21201	0.8
109.02874	1.7
109.06506	1.3
109.10157	11.1
110.03646	2.0
119.08587	5.5
121.06491	1.2
121.10146	2.7
123.04395	2.9
123.08048	1.4
123.11698	1.0
125.05972	1.6
131.04953	0.9
131.08540	1.1
133.10106	3.7
135.11702	13.5
137.05986	2.2
137.09616	2.9
138.03094	1.7
139.03908	1.9
140.04691	5.8
142.02647	1.8
146.53035	1.0
147.04372	1.0
149.13284	0.9
151.14835	1.0
153.01807	1.8
155.07037	1.7
167.07076	2.4
171.06500	2.7
175.14813	5.1
181.04962	100.0
193.15909	6.8
199.06018	5.5
205.08760	0.9
211.16943	9.4
237.18509	1.1
310.81479	0.8
325.09094	3.0
343.10193	4.1
535.29620	1.0
553.28601	1.2
575.08575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.05517	6.4
56.05033	3.7
57.07074	2.8
60.04527	1.1
67.05502	10.9
69.07069	7.0
69.26104	10.6
70.06586	1.1
71.08619	1.9
79.05496	9.3
80.05022	3.3
81.05801	2.3
81.07056	11.8
82.06583	7.6
83.08615	4.5
91.05489	8.3
93.07056	8.7
94.06577	18.6
95.07365	7.6
95.08614	7.8
96.08121	4.0
97.10151	2.4
105.07034	6.2
107.08596	4.8
108.08109	3.0
109.10149	3.6
114.84367	1.1
119.08577	5.2
121.10130	5.6
122.09652	3.2
133.10118	3.6
135.11708	3.5
147.11676	1.2
149.13235	1.4
233.22646	5.3
245.22612	2.9
250.25328	9.4
262.25320	100.0
272.25876	4.8
280.26404	10.1
312.06607	1.0
499.43292	1.3
504.47900	3.4
516.47717	8.8
534.48718	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	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.6
57.03436	0.2
58.06610	0.4
60.08170	6.4
62.31394	0.2
67.05505	1.0
68.69685	0.2
69.17819	2.4
71.07372	3.6
79.05482	0.8
81.07058	0.7
86.09711	32.5
91.05498	0.3
93.07052	0.6
93.39241	0.2
95.08601	0.5
98.98478	3.3
104.10757	3.3
105.07027	0.3
109.10261	0.5
120.62400	0.2
121.10162	0.3
125.00014	21.8
180.66286	0.2
184.07352	100.0
185.07736	0.6
194.40506	0.2
203.85953	0.2
332.46243	0.3
446.22809	0.4
464.24066	2.0
518.32642	1.1
534.31659	0.2
552.28363	1.9
553.29474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84715	3.7
51.62923	3.1
53.03952	7.4
55.05508	19.5
57.07079	29.2
57.08914	3.1
63.71989	3.1
65.03944	4.7
67.05504	40.0
67.20292	3.5
69.07079	24.5
70.00364	3.2
71.04998	4.4
71.08630	10.9
79.05502	27.6
79.07528	2.9
81.07061	61.9
83.08621	12.8
85.06550	3.6
85.10194	4.8
91.05486	46.5
93.07045	64.5
95.04949	5.9
95.08057	5.0
95.08607	56.8
97.10191	5.7
102.49060	3.6
103.05483	3.1
105.07037	74.5
107.08597	65.3
109.06535	4.3
109.10162	52.5
117.06322	3.0
117.07024	17.0
119.08583	100.0
121.10146	53.5
123.11743	16.6
128.06236	8.8
129.07004	11.4
130.07767	9.5
131.08591	34.7
133.10139	65.3
135.11693	40.9
137.09598	5.6
141.06999	5.9
142.07788	12.9
143.08557	32.2
144.09319	7.4
145.10124	75.2
147.11684	26.7
149.09615	3.6
149.13219	8.4
153.07056	3.8
155.08553	6.9
156.09366	13.9
157.10144	48.0
158.10876	4.8
159.11729	39.1
161.13281	12.4
163.11182	4.4
167.08591	6.6
168.09390	5.5
169.10066	16.9
170.10890	6.1
171.11693	26.2
173.13248	20.2
175.14833	41.2
179.08559	5.5
180.09303	3.5
181.10118	11.0
182.10934	8.7
183.11710	14.9
185.13269	13.1
187.14854	13.4
193.10039	6.4
193.15840	4.9
194.10904	6.8
195.11732	13.2
196.12489	5.1
197.13261	24.1
199.14865	9.3
201.16435	16.8
207.11707	5.4
209.13254	11.3
210.13939	4.1
210.65086	3.0
211.14810	14.6
213.16426	3.9
219.17496	4.3
221.13232	7.4
223.14839	10.3
225.16475	5.7
235.14644	3.3
237.16429	4.9
249.16397	4.5
251.17931	4.6
253.19656	3.8
259.14899	3.4
265.19568	3.6
267.21097	5.7
275.17816	5.0
285.22012	4.7
289.19714	5.0
301.27652	3.0
327.07803	11.7
331.23990	3.6
345.25775	4.4
495.26291	8.6
511.05728	3.6
523.02948	3.4
533.41388	5.4
551.42419	38.9
551.50201	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28087	0.4
56.05025	0.5
60.08167	5.9
67.05504	0.8
70.06567	0.3
71.07391	2.9
71.51116	0.4
71.51501	0.4
81.07046	0.7
86.09709	30.7
91.05495	0.6
95.99775	0.3
98.98468	3.8
104.10736	3.3
107.08580	0.4
125.00014	19.9
139.03876	0.5
145.10202	0.3
145.24588	0.3
147.04372	0.5
184.07347	100.0
464.24103	2.7
516.30713	0.9
523.74567	0.3
538.31262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01844	0.8
53.03944	3.8
54.58693	0.8
55.05513	15.7
57.07082	7.4
59.04991	0.9
59.29510	0.8
60.12541	0.9
65.03928	3.7
67.05509	26.3
69.07076	18.6
71.08628	1.8
71.51987	1.3
72.38876	0.8
77.03900	1.6
79.05499	23.3
81.03399	1.3
81.07061	40.4
83.04987	1.1
83.08623	9.0
85.06538	2.3
85.10163	1.0
91.05484	36.5
93.07049	55.6
95.04972	4.9
95.08614	45.9
97.06531	1.6
97.10157	1.8
101.60714	0.9
103.05479	4.6
104.06313	0.9
105.04555	1.9
105.07037	70.1
107.08601	56.4
109.06544	1.6
109.10163	42.1
111.08099	1.0
115.05427	4.4
116.06234	1.8
117.07021	15.4
119.08589	100.0
121.10149	46.5
121.11045	1.6
123.08087	1.8
123.11727	13.3
125.09605	2.0
128.06213	7.0
128.65341	0.9
129.07018	11.8
130.07782	6.6
131.08578	32.6
133.10141	55.4
135.11699	37.8
137.09636	3.2
137.13274	2.2
139.11179	2.1
141.07008	4.9
142.07788	14.5
143.08568	25.1
144.09348	6.6
145.10132	71.2
146.10588	0.9
147.07996	1.3
147.11699	24.6
147.12814	1.9
149.09648	3.0
149.13263	6.4
151.14795	1.4
153.06993	1.1
154.07802	2.0
155.08571	9.3
156.09367	11.8
157.10136	36.3
158.10905	5.4
159.11693	34.5
160.12514	1.6
161.09583	0.9
161.13257	10.8
163.11243	2.4
163.14799	2.6
165.06931	4.3
167.08614	3.5
168.09361	3.4
169.10146	15.5
170.10959	5.6
171.11697	22.1
172.12498	2.3
173.13280	26.0
174.13860	0.9
175.14847	36.4
178.07941	1.3
179.08556	6.2
180.09329	3.0
181.10114	9.9
182.10889	6.1
183.11703	17.4
184.12399	1.8
185.13268	15.6
186.13986	1.6
187.14819	16.1
189.16441	4.1
191.14392	2.0
192.09375	1.4
193.10091	6.8
193.15926	1.8
194.10924	4.4
195.11717	13.0
196.12486	3.5
197.13278	21.6
198.13974	1.6
199.14827	10.3
201.12729	1.1
201.16402	12.5
203.14362	0.9
205.10109	1.1
205.15910	1.1
206.10970	3.4
207.11650	7.2
208.12517	3.9
209.13290	16.0
210.14064	2.0
211.14856	12.5
213.16394	8.3
215.17998	2.2
217.10120	1.5
219.11705	2.8
219.17508	3.3
220.12523	1.8
221.13286	8.8
222.14035	2.1
223.14789	10.2
225.16374	6.4
227.18040	3.6
231.11804	1.8
232.12503	2.0
233.13240	4.3
234.13998	1.7
235.14844	7.3
236.15633	1.2
237.16364	5.9
238.17293	1.3
239.18091	3.8
241.19626	3.2
245.13266	2.1
246.14055	1.5
247.14946	3.5
249.16457	4.0
251.17941	4.7
253.19548	5.0
255.21188	2.0
257.13306	1.4
257.19006	1.5
259.14886	1.9
259.20642	2.1
260.15552	1.4
261.16437	3.2
263.17905	4.7
265.19608	3.7
267.21188	4.9
271.14935	1.3
271.20416	1.1
273.16452	1.7
274.17291	1.2
275.18051	3.0
277.19617	3.3
279.21216	2.5
281.22650	1.4
283.20706	2.1
285.22238	3.5
287.18042	2.0
289.19556	2.2
291.21146	1.7
293.22736	1.3
297.22031	1.2
303.21317	1.4
307.26578	1.0
309.22195	1.7
315.21100	1.0
317.22766	1.1
331.24234	1.9
333.25641	1.8
343.24344	1.3
345.25836	3.8
347.27521	1.2
349.25253	1.4
359.27475	1.8
363.27011	1.1
375.26947	1.2
397.29037	1.1
403.29361	1.2
411.30429	1.8
429.31549	1.7
459.36343	1.8
495.36304	3.0
533.41528	2.7
551.42529	38.4
552.42682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
56.05011	1.2
57.03445	1.0
59.07390	1.2
60.07882	1.2
60.08168	14.5
67.05489	2.4
69.07057	1.4
71.07383	5.4
71.51221	0.8
72.08142	0.8
79.05483	2.3
81.03436	0.9
81.07048	2.7
83.08622	1.0
86.09711	45.2
91.05478	2.0
93.07045	2.2
95.08598	1.4
98.98467	3.5
104.10748	91.3
105.07034	1.7
119.08614	0.8
125.00010	22.4
163.01489	1.0
184.07349	100.0
189.39842	0.9
194.07921	0.8
258.11017	1.0
267.36362	0.8
292.94907	0.7
298.29251	0.8
390.20923	0.8
434.22803	1.5
446.22897	1.1
464.24146	14.0
514.28870	1.1
516.30902	6.6
532.30060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.8
52.35207	0.6
53.03941	1.2
55.01870	1.4
55.05510	0.7
65.03928	0.7
67.05502	1.6
68.99797	1.2
69.03433	1.3
70.06595	0.7
70.23643	2.2
73.36311	0.7
78.69055	0.6
79.05497	2.1
81.03432	1.1
81.07059	3.6
85.02932	1.0
88.51369	0.6
91.05466	3.0
93.07043	2.1
95.05000	1.2
95.08604	2.4
97.06520	1.0
98.20790	0.9
103.05463	0.9
105.07053	1.4
107.04923	1.5
109.02877	2.4
109.10149	1.6
115.05430	0.8
119.04951	8.1
121.06496	1.3
123.04438	37.7
123.08070	1.4
125.02374	1.0
127.03918	1.8
130.11348	0.7
131.04953	0.8
135.04442	2.4
137.06009	1.6
139.03905	3.9
145.10118	0.8
147.04424	27.0
149.06004	3.4
151.03909	91.2
152.04314	0.9
153.01849	0.7
159.04495	0.6
161.05980	2.9
163.03912	4.6
165.05481	16.2
165.06874	0.9
169.04800	0.7
172.48332	0.6
173.09688	1.0
177.05478	8.5
177.09111	1.8
179.07068	1.3
181.04970	1.9
189.05502	0.9
191.07109	0.9
191.10680	0.6
195.10175	0.8
201.09103	2.2
203.06918	0.6
204.16536	0.9
207.06551	1.9
207.10112	1.1
219.10168	100.0
220.10449	1.0
249.11252	1.0
271.06271	0.9
285.07629	1.0
303.08530	3.2
353.13776	1.3
371.14905	58.4
372.15219	1.3
401.40176	0.6
463.83682	0.6
481.40646	0.7
549.23682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07133	0.7
53.03938	0.8
55.01861	1.2
60.15122	0.6
63.91854	0.6
65.73279	0.7
67.05497	1.5
69.03421	1.1
70.06573	1.0
78.17217	0.7
79.05496	1.6
79.18403	0.7
81.03411	1.4
81.07043	3.1
91.05459	2.3
93.07039	1.1
95.04974	1.6
95.08575	0.8
97.06514	0.7
98.21526	1.6
100.29138	0.7
107.04951	1.8
109.02872	1.7
109.10143	1.7
115.03015	0.6
119.04948	7.1
121.06493	1.1
123.04435	30.5
123.08040	1.2
125.02290	1.0
127.03886	0.7
133.02863	0.9
133.10155	0.8
135.04433	2.4
135.08035	0.8
137.05963	2.9
139.03900	4.9
139.89322	0.8
145.10162	0.8
147.04417	23.2
149.06013	3.6
149.09639	0.9
151.03911	87.8
153.05486	0.8
161.05974	2.4
163.03903	2.9
165.05486	13.8
177.05460	7.8
177.09026	1.2
177.31812	0.6
179.07027	1.2
181.04950	1.8
189.05435	1.1
191.07092	0.7
191.10652	0.7
195.10086	0.8
201.09068	1.6
207.06474	2.0
207.10204	1.1
219.10168	100.0
231.10226	1.1
249.11101	1.3
259.11273	0.7
286.04971	0.9
301.07077	2.3
303.08572	3.4
309.31216	0.8
336.66504	0.8
353.14029	1.0
356.31927	0.8
371.14911	54.5
372.15366	1.0
422.59549	0.8
549.20422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33919	0.6
55.01869	1.5
65.34137	0.7
65.57814	0.7
66.91425	0.7
67.05510	1.3
68.87656	0.6
68.99770	1.3
69.03420	1.3
69.07057	1.1
70.06592	1.6
71.51637	0.8
79.05470	2.4
81.03407	1.6
81.07053	3.7
85.02908	1.2
87.08109	1.3
88.30476	0.6
91.05468	2.9
93.07065	0.6
95.04947	2.7
95.08609	1.7
103.05499	0.8
105.07057	1.1
107.04995	1.4
109.02885	3.9
109.10162	1.7
119.04932	6.9
119.08603	0.9
121.06418	1.6
123.04436	29.1
123.08036	1.9
125.02356	0.9
127.03870	1.0
135.04407	1.7
137.05981	1.7
139.03928	5.8
143.04890	1.1
147.04422	24.6
149.05939	2.7
149.09563	1.0
151.03909	86.6
152.04298	1.4
153.05467	1.0
161.05951	3.1
163.03902	4.6
165.05489	12.1
167.07036	0.9
173.05991	0.9
175.07605	1.0
177.05463	7.3
177.09065	1.0
179.07008	1.0
181.04953	2.0
189.09091	0.7
191.07077	1.2
195.10222	1.2
201.09138	1.5
207.06596	1.9
207.10126	1.0
219.10165	100.0
220.10471	1.1
231.10237	1.1
232.04567	0.7
249.11115	1.2
285.07541	0.7
301.06976	1.2
303.08609	2.1
371.14883	48.2
567.81860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.9
60.00193	0.4
62.24696	0.4
67.05511	1.1
69.07043	0.4
69.17873	3.6
71.08637	0.5
79.05492	1.1
81.07056	0.9
91.05470	0.8
93.07062	0.6
95.08599	0.8
105.07046	0.6
147.11696	0.5
180.95284	0.4
185.72128	0.4
197.05348	0.4
206.49481	0.4
227.12680	0.4
310.13205	0.5
374.14847	0.7
377.18454	0.4
387.15866	0.5
388.16318	1.8
389.17383	2.1
390.18115	1.7
391.19659	0.7
401.17728	1.2
402.18304	2.6
403.19052	4.6
404.19479	6.2
405.20734	0.5
415.19644	0.6
416.20361	2.2
417.20895	2.9
418.21313	6.6
419.21936	3.0
430.16754	0.6
430.22012	1.0
431.18491	2.8
431.22958	1.0
432.18344	6.2
433.18747	0.6
433.24146	3.3
434.24249	14.0
444.18958	0.5
445.19174	2.4
446.20050	10.7
447.21286	4.8
458.20511	0.6
459.21378	0.5
460.21808	5.7
461.22964	17.9
462.23737	13.3
473.23605	0.9
474.23718	4.0
475.24847	2.2
488.25504	0.7
489.26062	0.6
490.22995	0.6
505.25443	0.7
520.27863	2.6
533.25037	1.7
537.16016	0.4
547.43872	0.6
548.27423	100.0
549.27814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.1
58.48822	0.6
59.05029	0.7
68.99795	1.0
70.06599	8.1
71.51027	0.9
78.36526	0.7
84.04522	5.9
85.02913	0.8
91.05476	0.7
102.05547	2.1
107.04941	0.9
111.04443	3.0
123.04446	3.3
129.07040	0.8
130.05016	2.5
130.93800	0.7
139.03915	100.0
140.04317	1.1
147.04402	1.5
147.07649	1.4
148.06058	7.1
149.06036	0.9
151.03984	3.2
155.08580	0.9
159.08063	1.4
161.06006	1.2
163.03932	2.6
163.07616	1.0
165.05515	1.0
169.05002	1.0
173.05919	0.9
177.05487	4.1
181.04930	0.7
183.08044	1.0
185.09625	1.5
187.07564	3.5
188.22304	0.7
197.09767	0.7
201.09161	7.0
203.10719	8.2
212.99294	0.7
213.09146	1.4
214.10670	0.9
215.10638	1.2
219.10179	3.7
225.09073	2.4
227.10675	2.3
231.10237	3.0
233.11761	1.9
234.11281	0.9
243.10031	0.9
245.11850	2.0
281.07892	0.6
329.10391	0.8
351.12363	1.6
353.13873	2.5
369.13428	2.0
386.15967	1.2
401.16055	2.1
548.21466	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	548.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.9
60.00193	0.4
62.24696	0.4
67.05511	1.1
69.07043	0.4
69.17873	3.6
71.08637	0.5
79.05492	1.1
81.07056	0.9
91.05470	0.8
93.07062	0.6
95.08599	0.8
105.07046	0.6
147.11696	0.5
180.95284	0.4
185.72128	0.4
197.05348	0.4
206.49481	0.4
227.12680	0.4
310.13205	0.5
374.14847	0.7
377.18454	0.4
387.15866	0.5
388.16318	1.8
389.17383	2.1
390.18115	1.7
391.19659	0.7
401.17728	1.2
402.18304	2.6
403.19052	4.6
404.19479	6.2
405.20734	0.5
415.19644	0.6
416.20361	2.2
417.20895	2.9
418.21313	6.6
419.21936	3.0
430.16754	0.6
430.22012	1.0
431.18491	2.8
431.22958	1.0
432.18344	6.2
433.18747	0.6
433.24146	3.3
434.24249	14.0
444.18958	0.5
445.19174	2.4
446.20050	10.7
447.21286	4.8
458.20511	0.6
459.21378	0.5
460.21808	5.7
461.22964	17.9
462.23737	13.3
473.23605	0.9
474.23718	4.0
475.24847	2.2
488.25504	0.7
489.26062	0.6
490.22995	0.6
505.25443	0.7
520.27863	2.6
533.25037	1.7
537.16016	0.4
547.43872	0.6
548.27423	100.0
549.27814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21250	1.4
51.24564	1.8
53.03946	4.4
55.01871	7.0
55.05273	2.3
55.05517	31.7
57.03452	8.8
57.07076	6.4
59.05006	1.9
65.03934	4.5
67.05509	93.5
69.03461	2.0
69.07077	30.4
70.68944	4.6
71.04993	5.2
71.08628	8.0
79.05499	54.9
81.03457	2.5
81.07061	94.3
83.04983	5.7
83.08624	20.7
85.06535	4.9
91.05488	48.0
91.05917	1.2
93.07050	62.6
95.04979	8.3
95.08611	62.4
97.06528	7.3
97.10172	10.9
99.08123	4.1
105.04502	2.0
105.07041	49.4
107.04960	4.4
107.08600	38.8
109.06550	5.9
109.10164	33.2
111.08088	4.2
114.24600	1.6
115.05508	3.2
117.07009	15.3
119.08597	43.3
121.06541	3.1
121.10154	27.1
123.08058	4.3
123.11710	10.6
125.09650	6.9
129.06998	10.8
130.07661	2.0
131.08586	36.7
133.10138	25.2
135.08058	3.1
135.11700	15.4
137.09633	2.1
137.13255	5.3
141.07024	2.8
143.08583	14.8
145.10133	27.3
147.08075	2.5
147.11684	14.6
149.09644	3.3
149.13243	9.0
150.95003	1.7
151.11255	2.1
151.14876	2.3
155.08560	5.9
157.10214	9.9
159.08049	2.0
159.11676	15.5
161.13260	12.3
163.11172	3.3
163.14841	4.4
165.12744	3.0
169.10133	5.4
171.11674	9.9
173.13263	9.6
175.14799	8.7
177.12788	2.1
177.16435	2.9
179.14275	1.8
181.10222	3.9
181.12251	3.2
183.11731	3.1
185.13304	7.4
187.14879	7.0
189.11243	3.7
189.16411	5.1
191.10774	1.9
195.11772	2.5
195.13797	1.7
197.13309	3.8
199.14851	5.9
201.16422	5.6
209.13322	2.9
209.65938	1.8
211.14865	3.4
213.16457	4.9
215.17928	3.3
217.16031	2.2
219.28853	1.7
223.14885	1.7
225.16403	2.8
227.12761	8.2
227.17964	2.7
229.14406	5.7
237.16263	2.2
245.22726	2.1
261.22253	5.5
263.23611	2.2
267.15964	4.5
269.17413	2.5
279.23236	5.8
299.24088	2.5
301.25323	8.2
303.26657	2.7
305.24619	2.1
317.24554	2.3
327.26913	3.2
329.24658	2.9
335.25885	5.7
339.26843	2.7
357.27811	3.0
361.27490	2.6
375.29108	4.6
385.26648	1.9
409.34741	2.5
419.33167	3.8
427.35883	5.2
437.34079	17.7
455.35196	20.9
473.36301	28.3
511.37958	6.3
517.38837	2.7
519.40417	3.3
529.38916	100.0
547.39978	63.0
548.40295	1.9
568.65186	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.5
55.01879	6.3
55.05514	43.9
57.03438	9.3
57.07076	11.0
65.03948	5.7
67.05508	96.8
69.03427	4.2
69.07070	37.0
69.30480	12.8
71.04996	18.9
71.08631	6.7
79.05496	63.1
80.33776	1.5
81.03430	23.2
81.07062	94.3
82.07410	2.7
83.04987	8.3
83.08617	23.6
85.06532	3.6
85.10186	2.7
88.22224	1.6
91.05486	46.0
91.06017	2.8
92.05878	1.9
93.07047	61.9
94.07392	1.9
95.04971	23.7
95.08611	60.9
97.02915	2.1
97.06521	8.8
97.10181	15.4
99.04460	2.0
99.08106	3.6
104.23341	1.5
105.04501	2.7
105.07037	36.5
105.07693	2.6
107.04928	8.1
107.08598	46.6
107.09306	2.9
108.08933	2.4
109.06567	5.6
109.10158	39.2
109.10835	3.0
111.08099	5.5
111.11697	2.7
117.07014	16.3
119.08587	32.2
120.08945	2.1
121.06511	8.5
121.10159	27.3
123.08105	5.9
123.11700	10.5
125.09625	8.1
129.07031	7.5
131.08582	21.0
133.10141	22.0
135.08110	4.0
135.11687	27.8
137.09625	8.4
137.13300	5.1
141.07083	2.7
142.07816	2.1
143.08553	9.0
145.10123	20.1
147.08170	2.1
147.11707	16.5
149.09645	2.4
149.13286	7.6
151.11288	2.4
155.08624	2.6
157.10181	5.7
159.11682	10.1
161.09662	3.6
161.13301	6.4
163.11154	17.3
163.14792	4.1
165.12863	2.8
169.10121	2.7
171.11700	8.4
173.13359	6.5
175.11235	4.2
175.14888	3.6
176.01707	1.8
177.16486	3.1
179.14351	3.3
181.10094	2.3
181.12305	6.0
183.11700	3.0
185.13326	4.1
187.14859	3.4
189.11267	2.4
193.12309	6.8
197.13316	2.0
199.14893	3.0
201.14890	4.7
201.16563	3.1
207.11848	2.7
207.13881	2.5
227.12779	29.1
233.13278	2.5
243.21268	2.4
245.22643	2.8
249.14880	2.2
261.22229	4.1
263.23813	4.0
265.25305	2.8
267.15961	19.1
269.17462	3.0
275.52368	1.6
289.21893	2.1
291.23398	5.6
303.26971	5.7
319.26733	2.2
335.26047	2.2
337.27463	14.1
375.90048	1.6
437.34317	6.2
455.35071	11.7
473.36438	8.2
503.37411	7.3
511.37930	2.4
514.46002	1.6
515.37329	4.0
529.38898	50.2
547.39972	100.0
548.40173	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	547.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82234	1.6
53.03941	6.6
53.95383	1.7
55.01863	5.8
55.05518	23.1
57.03436	13.2
57.07079	2.8
65.03941	2.7
67.05511	84.7
68.05826	4.3
68.42461	1.6
69.03423	2.5
69.07069	23.8
71.01366	2.4
71.05000	10.1
71.08632	1.8
79.05499	53.3
81.03408	5.8
81.07063	73.6
82.07407	4.3
83.04998	9.3
83.08609	12.5
85.06544	6.6
91.05487	80.2
92.05802	3.2
93.07047	57.8
94.07361	3.6
95.04963	8.7
95.08614	34.2
96.08927	2.5
97.06526	10.2
99.04458	2.6
99.08083	3.3
101.05989	2.2
103.72146	1.7
105.04533	1.8
105.07038	80.5
106.07407	2.5
107.04981	2.7
107.08598	52.0
108.08945	4.8
109.06519	7.2
109.10163	62.5
111.08072	2.9
113.05984	2.8
117.07034	13.9
119.08590	43.6
120.08915	2.6
121.06491	3.7
121.09331	2.8
121.10149	20.6
123.08083	4.6
123.11710	11.5
125.09624	3.5
127.07577	2.6
128.06261	5.4
129.06996	9.4
130.07721	2.0
131.08582	25.0
132.08882	2.1
133.10139	100.0
134.10435	3.9
135.08040	2.0
135.11690	16.2
139.11217	2.2
143.08578	9.6
145.10135	15.0
146.10478	4.6
147.08073	3.8
147.11705	41.9
148.11995	2.9
149.09579	4.5
149.13292	11.0
151.11192	40.6
155.08551	3.6
157.10159	9.6
159.11699	15.7
161.09666	2.7
161.13271	27.4
163.11201	2.7
163.14816	3.0
169.10054	2.7
169.12256	8.3
171.11696	9.7
173.13316	10.4
174.13477	1.9
175.14877	18.5
177.12715	2.1
179.10617	3.6
183.11656	3.9
185.13263	8.2
187.14857	3.9
189.12787	3.3
199.14845	4.3
203.14447	2.1
215.12759	6.9
217.19479	3.8
229.14539	2.6
231.21051	5.1
241.19562	27.7
253.14372	50.3
255.15846	2.4
257.18948	2.3
259.20609	63.7
260.20908	3.8
271.15430	51.3
273.22049	1.8
275.19962	5.6
277.21500	4.8
301.14386	2.4
301.21448	2.5
315.23251	4.6
333.24316	24.3
360.98523	2.0
454.28769	2.7
455.31494	2.3
511.34171	7.0
529.35992	26.2
547.29187	2.5
547.37903	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	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01866	7.5
55.05511	14.9
55.32930	1.7
57.03439	11.3
57.07059	2.2
65.03930	4.4
66.64065	1.6
67.05509	69.5
69.03426	3.1
69.07071	19.3
69.32211	3.2
69.32600	14.3
71.05006	7.8
79.05499	46.1
81.03432	2.5
81.06585	3.5
81.07062	60.0
83.04975	9.2
83.08617	4.7
83.61839	1.9
85.06552	8.9
91.05489	73.9
93.06476	3.4
93.07046	41.6
93.07632	2.3
95.04962	6.6
95.08609	21.8
97.06540	6.0
97.10190	3.2
99.04443	3.4
103.05534	1.9
105.07038	76.1
107.04993	2.4
107.08611	48.8
109.06516	6.3
109.10164	77.3
111.08083	2.9
113.06039	3.4
117.07015	13.8
119.07809	3.2
119.08593	37.5
121.10154	11.7
123.08031	2.7
123.11726	13.8
125.09630	2.3
127.07524	2.8
129.07019	6.8
131.08595	20.2
133.10141	100.0
133.85823	1.8
135.07999	2.2
135.11708	14.5
143.08557	6.9
145.10141	14.2
147.11696	27.4
149.13278	7.6
151.11189	45.6
157.10176	7.3
159.11696	9.6
161.13266	25.4
163.11163	2.4
163.14790	3.5
169.12285	11.9
171.11768	9.5
171.13007	1.7
173.13284	8.2
175.14809	12.7
179.10822	2.0
185.13239	7.5
187.14912	2.0
190.01225	1.9
199.14767	4.1
213.16614	1.7
215.12749	4.1
231.21100	5.7
241.19547	27.2
253.14372	68.1
259.20590	47.3
271.15405	46.9
271.18149	3.4
275.20053	3.3
277.21585	5.4
313.21527	2.1
315.23184	4.6
333.24271	25.5
406.39090	1.9
416.96399	2.1
437.30939	2.4
511.34109	6.1
529.35291	17.1
547.36584	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01872	0.3
55.05504	0.9
57.03440	0.4
62.99168	0.2
65.03941	3.1
67.05508	2.2
68.61005	0.3
69.03461	0.4
69.07076	0.5
69.22617	2.7
70.06615	0.3
73.05772	0.3
78.46452	0.2
79.05498	3.0
81.03418	0.9
81.07056	1.4
83.08648	0.4
91.05489	21.1
93.07049	0.7
95.04991	0.8
95.08597	0.5
98.20715	0.4
105.04551	0.4
105.07038	1.0
107.04962	6.6
107.08626	0.4
109.06531	0.3
109.10147	1.6
115.05487	0.6
117.07027	0.5
119.04953	38.0
119.08609	0.5
121.06525	0.5
124.05196	0.7
125.06027	0.5
128.06241	0.4
129.07013	0.8
131.04919	0.5
133.06506	0.6
137.05959	0.4
139.03873	0.3
139.07523	0.4
141.07010	1.6
143.08598	0.5
144.05748	0.4
145.06509	0.6
145.10292	0.3
147.04420	100.0
148.04823	0.6
152.04672	0.4
152.06195	0.2
153.05536	0.3
153.07043	0.3
157.06485	1.6
158.07278	0.9
159.08131	0.3
161.06041	0.6
166.06302	0.7
167.07065	7.7
169.06482	0.7
170.07283	3.0
171.08167	0.3
173.06004	0.4
174.06844	0.3
179.06998	0.3
180.08945	0.3
181.08635	0.7
181.22804	0.2
183.08006	0.4
185.06035	0.5
186.06808	2.6
187.07556	1.1
188.08362	0.4
189.05457	0.6
190.07735	0.6
191.08600	0.7
198.06746	0.6
200.08377	1.2
201.09120	2.0
202.07837	0.9
203.08618	0.4
205.06636	0.6
205.08514	0.5
206.07227	0.5
206.67805	0.3
207.08145	0.3
209.09677	0.5
211.07635	0.3
214.06190	0.5
215.08722	0.6
216.07837	0.8
217.08540	0.5
218.07254	0.9
219.08110	2.5
220.08885	1.5
221.09602	0.3
222.06746	0.4
229.08633	5.9
229.14360	0.4
230.07278	0.4
231.08073	2.1
231.10236	5.5
232.08839	0.9
233.06044	0.6
233.09697	1.5
234.06767	0.6
234.10464	0.3
235.07457	0.5
235.11194	0.8
236.08319	0.6
237.09186	0.8
244.08829	0.5
245.09682	1.1
246.06871	0.6
247.07550	4.1
248.08345	3.7
249.09122	1.1
250.06328	0.9
251.06937	0.4
258.06842	0.7
259.07571	1.0
260.08282	0.6
261.05594	0.4
261.09116	1.6
262.06442	0.4
262.09958	1.6
263.06964	0.4
263.10739	3.1
264.07816	0.6
265.08615	2.2
269.08203	0.3
273.09201	0.7
273.14838	0.4
275.07114	2.1
276.07819	2.8
277.05457	0.5
277.08627	1.8
277.11475	0.4
278.05807	1.1
278.09186	0.4
279.06415	0.6
279.10199	0.7
280.10995	0.3
287.06909	0.3
289.05057	0.3
289.08490	0.6
290.09262	2.3
291.06818	0.4
291.10110	5.3
292.07364	2.0
292.10556	0.5
293.08136	3.2
293.11478	0.4
294.08929	0.3
301.14331	1.8
303.06616	0.6
304.07419	0.7
305.08185	1.5
305.11658	0.6
306.08981	0.5
307.06277	0.6
307.09555	3.0
308.10474	2.2
309.07861	0.4
309.11032	0.6
318.09119	0.3
319.09698	3.1
320.06973	0.5
320.10443	0.8
321.07642	2.7
321.11313	0.8
322.08435	1.0
322.12082	0.7
323.05566	0.4
323.09207	0.5
323.12787	3.9
325.10681	0.8
335.09207	0.6
336.09930	2.5
337.10739	3.0
338.07895	1.0
339.12369	0.5
340.13019	0.3
350.11545	0.7
351.12308	8.7
352.13174	0.8
353.10190	4.4
355.15454	0.9
368.12582	4.8
375.18124	0.4
383.14920	47.0
384.15228	0.9
411.14517	0.8
427.78485	0.3
529.28119	0.8
547.20148	0.3
547.29120	1.0
572.09094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14448	0.3
55.05501	0.8
55.07868	0.3
61.14337	0.4
65.03946	3.4
67.05514	1.8
69.37622	0.4
70.25725	0.7
70.26074	1.0
70.26960	0.4
79.05499	3.8
81.03419	0.6
81.07055	1.2
85.02946	0.3
91.05484	24.1
93.07047	0.8
95.04934	1.0
95.08617	0.5
103.05464	0.3
103.79401	0.3
105.07046	0.9
107.04966	7.5
107.08624	0.6
109.02872	0.4
109.06508	0.4
109.10169	0.9
111.08066	0.4
117.07030	0.5
117.32088	0.3
119.04951	37.1
121.06507	0.5
124.05205	1.3
125.05923	0.4
128.06253	0.7
128.15433	0.4
129.06973	0.5
133.06506	0.6
137.05930	0.4
141.06998	1.5
145.06506	0.5
147.04417	100.0
148.04762	0.7
152.04654	0.9
157.06456	2.0
158.07303	1.2
159.07990	0.5
166.06223	0.7
167.07056	7.3
168.05745	0.4
169.06526	0.5
170.01411	0.4
170.07243	2.3
173.06018	0.6
181.08647	0.7
185.05797	0.4
186.06726	2.7
187.07524	1.2
189.07045	0.6
191.08606	0.8
198.06686	0.7
200.08397	1.2
201.09113	1.5
202.07817	0.8
203.08600	0.7
205.06537	0.5
215.08693	0.5
216.07637	0.7
218.07327	0.8
219.08109	2.9
220.08833	1.3
220.13242	0.4
229.08618	5.9
230.07178	0.6
231.08052	2.2
231.10229	5.2
232.08859	0.7
233.06079	0.7
233.09639	1.7
234.06825	0.8
235.11145	0.4
237.09172	0.7
244.08960	0.4
245.09531	1.1
246.06932	0.5
247.07541	3.9
248.08336	3.1
249.09192	0.7
250.06314	0.7
259.07608	1.0
260.08371	0.5
261.05637	0.3
261.09070	1.8
262.09897	1.5
263.07422	0.5
263.10693	2.7
264.07919	0.9
265.08627	1.7
273.09311	0.4
275.06989	2.4
276.07761	2.8
277.05322	0.4
277.08597	1.3
278.05728	0.6
279.06598	0.4
279.10239	0.9
280.10815	0.6
289.08591	0.7
290.06631	0.4
290.09348	2.2
291.06995	0.6
291.10120	4.3
292.07303	1.6
293.08148	3.4
294.08813	0.5
301.14444	0.7
304.07355	0.7
305.08130	1.5
305.11639	0.8
306.09253	0.5
307.06128	0.6
307.09604	3.0
308.10287	2.2
309.11276	0.8
315.08649	0.4
318.08853	0.8
319.09644	4.2
320.06891	0.5
320.10443	0.9
321.07623	1.7
321.11090	0.5
322.08536	0.6
322.12000	0.6
323.12756	4.0
325.10764	1.2
335.09256	1.1
336.09784	2.5
337.10632	3.0
338.07913	0.9
339.12360	0.6
350.11475	0.6
351.12326	6.6
352.12979	0.9
353.10214	4.4
355.15485	0.8
368.12494	3.6
383.14908	45.6
384.15317	1.4
411.14484	0.9
447.73019	0.5
529.28662	0.4
547.33539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
53.52412	1.6
55.01870	3.0
55.05510	2.9
57.03430	5.2
62.32888	1.6
67.05507	8.7
67.69511	1.6
69.03419	5.4
69.07063	2.7
70.06569	2.0
71.05001	18.6
71.51282	2.0
71.51657	2.1
73.02913	2.4
79.05496	8.6
81.03425	6.1
81.07069	4.3
83.05000	2.0
83.11446	1.5
85.02912	25.5
91.05493	26.9
93.07043	4.8
94.87337	1.5
95.04974	5.4
95.08618	5.3
97.02875	2.6
97.06555	8.8
105.03347	2.2
105.07036	5.1
106.53728	1.7
107.04942	7.0
107.08607	2.9
109.06523	3.1
109.10130	2.7
114.10298	3.5
115.05438	2.1
117.07043	2.8
119.04948	44.0
121.06506	4.6
121.10245	1.9
123.04425	26.5
125.09700	1.9
127.03904	2.4
129.05449	3.8
129.07034	2.6
131.08571	2.1
133.10130	2.2
137.06033	2.2
139.03891	7.7
141.06999	2.6
147.04419	100.0
151.03896	2.0
151.07451	1.9
153.01837	2.2
157.06528	3.0
161.06006	3.7
163.03905	2.0
165.01849	15.2
167.07042	9.0
167.08443	1.7
170.07289	3.2
173.06027	2.2
177.05540	3.1
179.03381	3.1
183.02917	6.4
186.06738	1.8
189.05486	3.5
191.03447	3.5
193.04889	3.5
195.02950	2.6
201.09012	2.0
205.04936	2.6
205.08678	2.9
219.08076	2.1
229.08640	4.9
229.14243	2.0
231.06512	5.3
231.10165	5.2
233.08055	2.4
238.73259	2.0
243.06415	3.2
247.07639	3.1
248.08444	3.5
249.07529	3.2
263.10611	3.8
271.06137	4.5
275.06741	1.9
276.07800	3.7
291.09958	3.0
292.07391	2.6
293.08105	5.5
299.05478	6.8
301.14368	6.2
307.09543	2.8
315.08698	2.6
317.06647	5.0
317.10278	2.1
319.09473	2.6
322.08362	2.3
323.12708	3.0
337.10837	4.0
351.12231	7.2
353.10059	3.4
355.11902	3.5
357.09357	1.9
368.12741	2.5
377.12592	2.3
383.15057	40.0
401.12329	13.3
415.56741	1.9
425.12137	2.4
467.13382	2.1
501.18152	1.9
511.15833	2.1
529.16571	2.6
529.28381	3.6
547.29285	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74051	0.3
53.03946	0.5
54.03466	1.1
57.03437	1.1
58.06579	0.5
59.04993	0.3
65.76566	0.3
68.00790	0.3
70.06593	100.0
71.04994	8.6
71.51347	0.5
73.02911	0.4
74.22581	0.4
78.21467	0.4
79.05486	0.9
81.03436	0.5
81.14557	0.3
83.05009	0.4
85.02905	8.7
95.04974	1.2
107.04982	0.7
111.04399	0.5
121.02805	0.8
123.04430	18.0
129.05486	1.2
135.04451	2.6
137.02396	0.6
137.05980	1.3
147.04395	0.6
147.06648	0.4
151.03909	2.4
159.07692	0.5
159.66333	0.3
159.73936	0.4
163.03900	6.0
164.41202	0.3
165.05470	3.5
167.08672	0.4
175.03937	0.5
177.05566	0.6
179.03444	0.9
187.03937	1.1
191.03391	34.3
209.04477	0.9
219.10179	1.1
227.07225	0.3
248.09274	1.4
251.07109	0.7
251.77980	0.4
269.08096	5.5
297.07550	5.9
325.07040	6.6
343.08139	12.0
358.98737	0.6
367.07916	0.5
376.99509	0.5
400.13824	5.1
401.98172	0.3
443.00458	0.5
461.01468	0.4
489.13861	2.0
546.19708	45.5
547.20001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.03471	1.4
55.01878	0.5
55.04281	0.5
55.05516	0.6
57.03438	3.6
70.06596	100.0
71.01358	0.4
71.04996	20.4
71.51458	0.7
75.04491	0.7
76.02237	0.8
79.05491	0.6
81.07038	0.9
83.04995	0.7
84.04494	0.5
85.02910	24.7
87.04478	1.0
91.05483	0.5
95.04974	1.0
99.04469	0.6
111.04452	1.0
121.02875	0.5
123.04433	24.0
129.05490	3.6
133.02802	0.4
133.36775	0.4
135.04454	1.4
136.06223	1.0
137.05963	0.6
138.09171	0.5
139.03874	0.9
147.04442	0.7
151.03853	2.1
159.07664	0.5
162.02228	0.7
163.03929	2.2
165.05527	2.9
175.03928	0.5
177.05481	0.6
179.04939	0.6
187.03975	0.7
191.03398	11.7
205.05066	0.5
209.04514	1.0
215.07013	0.4
219.10223	1.1
241.08633	0.6
255.06537	0.5
269.08115	6.4
275.09271	1.0
297.07568	8.5
308.09006	0.5
325.07114	3.8
343.03879	0.5
343.08139	11.0
399.14404	0.4
400.13940	29.1
469.59229	0.6
489.13980	1.2
546.19733	38.8
547.20435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34229	1.5
51.02384	1.4
53.03943	12.2
55.01873	3.9
55.05513	47.4
57.03444	2.2
57.07082	10.9
65.03940	5.1
67.05511	77.3
69.07073	49.5
71.04978	2.8
71.08627	4.5
71.51323	2.1
73.06548	2.4
77.03924	2.1
79.05499	77.1
81.03421	8.1
81.07063	69.3
83.04983	11.0
83.08623	28.5
85.06541	4.6
85.10220	2.3
86.57362	1.3
91.05488	55.4
93.07049	65.0
95.04972	14.9
95.08614	53.3
97.06542	4.8
97.10171	14.7
102.12764	1.2
102.82005	1.3
104.70962	1.5
105.04495	2.2
105.07032	39.2
107.04953	4.6
107.08604	20.7
109.06520	5.4
109.10159	16.6
111.08109	3.1
111.11705	5.1
115.05493	1.4
117.07015	8.5
119.08587	20.1
121.06487	1.9
121.10156	20.6
123.08077	5.0
123.11700	4.7
128.06244	2.9
129.06999	15.1
131.08582	2.8
133.10112	9.4
135.11690	12.3
137.13361	1.5
137.95074	1.5
143.08597	8.3
145.10155	5.9
147.11691	33.9
147.12807	2.3
149.13237	4.4
157.10060	1.5
161.09641	3.7
161.13257	10.3
163.14877	1.8
165.16394	1.7
170.33847	1.4
171.11700	24.9
182.95897	1.2
189.12738	13.8
207.13812	33.5
225.14842	4.7
232.65358	1.6
241.27850	1.2
247.24307	3.3
265.25314	10.7
281.17667	2.3
545.42017	100.0
546.42072	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01861	5.0
55.05521	37.4
57.03444	15.2
57.07068	6.1
63.72343	2.4
65.03934	5.0
67.05509	89.3
68.05831	4.1
69.07070	32.7
71.04991	7.5
77.03909	2.8
79.05501	73.2
81.03413	6.0
81.07067	100.0
83.04966	8.4
83.08632	23.3
85.06560	6.7
91.05491	69.8
93.06481	4.4
93.07053	72.3
95.04972	9.4
95.08614	60.9
95.09180	5.1
97.05987	2.5
97.06504	11.8
97.10162	9.1
98.21519	6.8
103.05466	4.5
105.07043	63.4
107.08612	47.0
109.06514	7.0
109.10147	19.4
111.08121	6.2
113.09719	2.4
115.05450	3.8
117.07034	32.5
119.08598	52.5
121.06519	2.5
121.10164	30.7
123.08134	4.6
123.11708	6.9
125.09632	5.0
128.06252	6.8
129.06995	18.0
131.08574	47.2
133.10152	40.4
135.08060	7.1
135.11690	22.3
137.09660	4.3
141.07007	4.9
142.07820	4.5
143.08586	28.1
145.10143	42.2
147.11708	36.0
149.09630	4.9
149.13249	14.2
155.08588	12.6
157.10118	26.0
159.07996	3.8
159.11719	40.3
161.09583	3.5
161.13269	18.7
167.08540	2.7
169.10146	15.9
171.11702	22.0
173.09715	3.2
173.13223	15.1
175.14812	12.4
177.12747	6.3
181.10080	4.6
183.11685	15.3
185.13269	16.6
187.11180	2.8
187.14844	10.9
191.14059	3.1
195.11688	7.9
195.13841	8.8
197.13237	8.2
199.14891	13.1
201.16370	3.5
209.13232	4.6
211.14896	4.1
213.16455	6.1
215.18065	4.0
223.14841	6.1
231.21053	2.8
241.19536	15.6
257.19086	4.4
259.20615	33.5
261.18484	2.6
261.21655	2.8
267.15805	6.1
269.17419	24.8
275.19992	3.1
285.22076	4.4
297.22168	3.1
309.21979	3.6
315.23233	6.1
333.24237	20.9
355.26273	2.8
407.33154	4.0
417.31543	6.2
425.33835	5.6
435.32697	21.4
453.33804	25.6
471.34760	20.9
509.36200	10.2
515.37671	4.1
517.39026	13.4
527.37402	96.8
545.38373	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70130	2.0
53.03962	3.4
55.01869	8.6
55.05272	2.7
55.05518	36.9
57.03452	12.8
57.03695	3.0
57.07063	6.8
59.04978	2.3
65.03930	3.3
67.05508	89.5
69.06734	2.7
69.07075	38.1
71.04992	7.7
71.08655	2.1
79.05500	66.8
81.03413	6.0
81.07064	99.6
83.04975	6.1
83.08624	21.3
85.06544	4.2
91.05488	55.9
93.07051	69.9
95.04965	10.7
95.08611	49.3
97.06540	9.9
97.10176	11.1
99.08078	3.1
105.04550	2.3
105.07040	55.9
107.04977	3.3
107.08600	42.1
109.06528	4.4
109.10178	24.9
111.08112	4.5
115.05443	3.6
117.07027	30.8
119.08586	52.1
121.06509	5.1
121.10159	28.4
123.08064	2.2
123.11716	7.9
125.09611	9.5
125.48367	1.9
128.06181	4.4
129.07021	17.8
130.07790	4.1
131.08577	47.7
133.06459	2.3
133.09248	3.5
133.10153	39.3
135.08012	4.6
135.11687	16.6
137.09668	3.7
139.11133	3.0
141.07010	6.2
142.07782	5.1
143.08577	28.7
144.09346	4.1
145.10146	50.1
147.07997	2.7
147.11697	29.7
149.09558	3.2
149.13264	20.2
155.08571	11.7
156.09325	3.1
157.10164	28.7
158.10829	2.9
159.08144	2.7
159.11705	42.4
161.09665	4.6
161.13272	17.7
163.11188	4.0
163.14818	3.7
165.08791	1.9
165.12796	4.0
167.08534	2.7
169.10150	13.6
170.10825	2.5
171.11685	29.0
173.13297	25.2
175.11188	2.9
175.14862	11.1
177.12779	5.5
181.10100	5.3
183.11694	17.4
185.13264	23.6
187.13409	2.3
187.14832	11.1
189.16374	2.9
191.99088	2.0
195.11783	5.0
195.13821	6.0
197.13275	14.1
199.14853	15.0
201.16423	4.7
203.14334	2.3
209.13245	5.0
211.14806	7.7
213.16333	5.7
217.15942	2.1
223.14903	4.6
225.16353	3.8
227.12656	3.6
227.17990	2.5
235.14810	2.9
237.16327	2.5
241.19475	19.1
251.45978	2.1
257.19077	4.7
259.20584	33.6
261.22278	3.8
267.15854	9.3
269.17413	20.1
273.22128	2.2
275.20041	3.3
277.21637	3.4
285.22278	4.7
297.22299	3.5
297.32748	2.2
299.23770	3.8
301.21854	2.4
301.25308	5.6
315.23212	2.9
329.24591	2.7
333.24310	16.4
335.25873	2.2
341.24814	2.8
353.24622	2.7
355.26410	2.1
407.33044	3.7
417.31598	7.7
423.32306	4.5
425.34058	11.6
435.32819	22.5
443.35568	3.8
453.33698	27.4
455.45285	2.2
456.43185	2.2
471.34717	27.0
499.37708	7.6
509.36218	8.9
515.37024	7.5
517.39032	31.0
527.37421	100.0
528.37299	4.2
545.38446	61.4
546.38611	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.6
55.01868	7.0
55.05513	35.9
57.03438	9.6
57.07065	4.4
65.03934	4.1
67.05508	78.7
69.03429	5.1
69.07079	23.1
69.50844	2.0
69.99025	8.2
71.04996	4.7
79.05066	4.3
79.05496	48.8
81.03419	24.6
81.07063	76.7
83.04999	8.4
83.08623	20.8
85.06551	5.1
91.05484	43.3
93.07048	53.2
95.04975	20.1
95.08607	47.6
95.09180	3.7
97.06539	7.7
97.10171	22.2
99.08084	5.0
105.07037	40.1
107.04968	9.6
107.08603	34.7
109.06530	6.1
109.10174	25.2
111.08089	5.9
117.07022	20.2
119.08586	33.4
121.06538	9.3
121.10139	24.1
123.08088	5.1
123.11729	7.2
125.09628	13.9
128.06244	2.7
129.07027	9.5
130.07838	2.7
131.08574	24.1
133.10147	25.9
135.08090	5.6
135.11707	14.2
135.28218	2.1
141.07004	2.6
143.08585	12.1
145.06503	2.3
145.10115	25.3
146.01450	2.1
147.08049	3.1
147.11656	16.1
148.23073	2.2
149.09660	4.3
149.13303	8.5
151.11214	3.7
155.08577	5.1
155.42213	2.1
157.10135	9.1
159.08101	3.2
159.11728	15.8
161.09679	4.7
161.13293	8.4
163.11191	6.6
163.14894	2.3
169.10159	5.7
171.10403	2.6
171.11623	10.1
173.09753	2.8
173.13316	9.5
175.11159	3.7
175.14899	5.1
177.12807	3.3
179.14430	2.4
183.11807	6.1
185.13295	7.6
187.14795	5.4
189.11246	9.6
193.10658	1.8
193.12151	9.8
195.11734	3.3
197.13408	4.2
199.14928	2.7
201.16505	2.3
202.11034	2.3
203.14391	2.0
211.14905	3.3
213.16490	3.3
227.12740	17.3
243.21031	3.6
247.16951	2.3
259.20734	5.1
261.22198	10.3
267.15823	17.3
275.20047	2.6
277.21698	5.1
283.24243	3.7
285.22214	6.5
287.20178	2.1
299.23602	3.0
301.22061	3.8
301.25146	17.0
303.23318	4.0
304.35443	2.0
317.24954	4.8
335.25809	15.3
421.25836	3.7
435.27588	2.5
435.32791	8.7
453.33603	15.7
471.35019	15.7
509.36584	3.2
513.35284	2.9
520.70972	2.4
527.37311	64.1
535.74658	2.5
545.38416	100.0
545.46967	4.8
546.38684	3.3
568.38843	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	14.0
55.05508	27.0
57.03433	26.9
60.56350	9.1
67.05181	11.8
67.05498	74.1
69.03413	12.8
69.07061	12.6
71.51405	12.9
75.99753	10.1
79.05480	28.1
81.03423	14.2
81.07042	42.0
81.52197	11.2
81.83531	9.1
83.04965	15.6
85.06530	24.0
91.05463	25.3
93.07030	20.0
95.04981	48.5
95.08586	25.8
97.10130	13.5
100.35519	9.8
105.07027	22.2
107.08588	26.4
109.06533	49.1
109.10130	30.2
113.06034	83.0
114.10337	12.6
119.08568	28.1
121.10167	17.2
123.04418	23.2
127.84666	9.9
129.05467	12.7
130.41393	13.7
131.08601	23.1
133.10144	18.4
135.08046	37.4
137.41255	10.7
145.10056	14.8
149.09599	13.0
198.08635	9.1
217.15918	11.9
273.18576	31.9
275.42841	12.9
291.19513	74.4
365.23224	100.0
545.30066	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59921	0.5
57.03426	1.8
67.05503	0.5
69.03435	4.5
69.03786	0.6
69.07057	0.6
70.06596	0.4
70.70718	1.2
71.05006	0.5
79.05495	0.8
81.07052	0.5
85.02894	3.0
87.04465	1.4
91.05484	1.5
93.07082	0.6
95.08036	0.4
97.02891	1.8
97.06516	0.6
114.43763	0.4
123.04436	1.0
130.40083	0.4
139.07452	0.5
151.05194	0.5
157.48965	0.4
163.03922	0.5
165.05606	0.5
185.04272	1.7
246.30249	0.4
251.06815	1.9
299.07254	0.7
305.06299	4.5
317.08447	29.3
328.09915	0.5
413.11990	1.3
437.10556	4.2
545.16327	100.0
546.16736	2.2
547.80139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03949	6.7
55.01876	3.6
55.05515	26.7
57.03439	2.9
57.07074	2.7
57.20978	0.7
65.03938	5.5
67.05507	100.0
67.33424	0.7
69.03448	1.0
69.07072	23.6
69.23451	7.1
71.05000	3.3
71.08638	1.5
71.47823	0.7
73.06577	0.9
77.03944	2.5
79.05497	77.7
79.48081	0.7
81.03425	8.8
81.07061	93.8
83.04987	10.2
83.08612	10.3
85.06560	2.8
91.04899	1.7
91.05068	0.8
91.05485	57.5
93.07048	59.2
95.04971	17.5
95.05559	1.1
95.08612	52.8
97.02944	1.3
97.06524	6.2
97.10159	5.3
99.08110	1.9
103.05482	1.3
105.04564	3.4
105.07036	41.0
107.04971	5.0
107.08606	21.2
109.06535	4.7
109.10164	16.8
111.08104	2.2
111.11762	1.1
113.09689	1.0
115.05471	1.2
115.67671	0.7
117.07027	7.6
119.08591	24.6
121.06538	2.3
121.10149	8.7
123.08071	4.3
123.11712	8.2
125.09663	0.8
127.07574	1.8
128.06256	2.9
129.07011	14.5
129.07918	0.9
131.08554	4.9
133.10138	13.4
133.11084	0.9
135.08086	0.8
135.11694	5.2
137.09691	0.9
137.13280	3.3
143.08577	7.2
145.10139	7.7
147.08070	3.0
147.10518	1.5
147.11694	30.9
149.13292	3.2
151.14867	0.8
153.12778	1.5
156.09505	0.9
157.10132	1.0
159.11769	1.8
159.84860	0.8
161.09680	3.1
161.13266	12.6
163.11223	0.8
163.14845	2.3
169.10207	0.8
171.11688	23.0
175.14888	2.5
179.14301	1.0
185.19456	0.7
189.12761	10.2
189.16431	1.3
203.98688	0.8
207.13814	29.4
207.15735	1.6
225.14876	1.5
245.22757	2.1
263.23669	4.9
281.17639	2.7
319.26526	0.9
525.39868	0.8
543.40521	75.9
544.40894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.01871	18.8
55.05515	30.2
56.00989	1.3
57.03431	5.8
57.07076	2.5
65.03931	4.8
66.93620	1.2
67.05508	84.4
69.03419	2.0
69.07073	47.5
69.29407	3.4
69.29826	7.1
71.04976	5.0
77.03925	2.1
78.94946	1.2
79.05496	69.7
81.03418	9.1
81.07060	100.0
83.04990	11.6
83.08627	16.7
85.06535	4.9
91.05484	77.5
93.07048	67.1
95.01337	12.8
95.04966	11.6
95.08611	43.3
97.06535	37.2
97.10159	5.1
99.08089	2.7
103.05464	2.1
105.04527	2.9
105.07037	77.6
107.04966	20.0
107.08599	33.4
109.06547	6.3
109.10149	9.8
111.08112	5.7
113.09626	2.1
117.07041	21.8
117.94300	1.3
119.08587	34.7
121.06478	3.8
121.10147	18.8
123.04413	2.2
123.08076	4.6
123.11727	3.4
125.09615	1.9
127.07574	1.4
129.06972	5.7
131.08583	30.2
133.06503	1.5
133.10135	44.4
135.08067	5.1
135.11693	11.5
137.09619	1.8
139.07506	2.1
141.06960	2.4
143.08562	4.1
144.09251	1.4
145.06483	2.1
145.10121	20.6
147.11690	19.3
149.09630	8.2
149.13269	17.7
151.11188	1.5
155.08571	2.8
157.10162	6.5
158.17065	1.2
158.98091	1.3
159.11697	16.9
161.09558	1.3
161.13264	7.7
163.11145	5.6
165.09102	3.3
169.10175	3.9
171.11710	5.4
173.13283	4.2
177.12759	6.6
179.14326	22.4
183.11703	3.6
185.13310	1.9
187.11153	3.9
187.14828	1.4
189.12698	1.5
195.13821	4.5
197.13266	1.8
205.12144	1.5
215.14432	1.6
219.17447	3.0
229.19637	2.3
239.17986	3.8
241.14394	1.9
247.20586	4.0
251.16614	2.6
257.19067	8.0
275.20071	95.8
279.16092	1.5
279.47729	1.2
293.21204	8.3
329.44626	1.3
349.23749	4.0
525.35748	3.6
543.36786	57.0
544.36993	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	543.3684
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03941	2.7
55.01865	3.9
55.05519	15.8
57.03434	3.1
57.07066	1.6
57.82160	0.9
62.27202	0.9
65.03937	1.7
67.05509	25.8
68.70940	0.9
69.07070	7.7
71.05000	2.4
79.05497	20.6
81.03431	5.3
81.07064	24.5
83.04976	4.0
83.08623	9.9
85.06559	1.8
91.05491	19.6
93.07051	17.5
95.04977	3.6
95.08615	14.9
97.06522	2.5
97.10188	10.3
98.21632	1.8
105.07041	19.2
107.04963	2.5
107.08603	10.6
109.06557	1.4
109.10159	10.6
109.28355	1.1
115.05460	2.2
117.07008	11.1
119.08578	13.9
121.06516	2.4
121.10140	5.4
123.08047	1.6
123.11700	2.4
125.09631	4.2
128.06212	2.5
129.07013	10.0
131.04912	1.0
131.08562	15.1
133.06537	1.1
133.10152	11.3
135.08041	1.5
135.11714	2.7
137.09641	1.3
141.06993	3.9
142.07808	2.7
143.08557	11.4
145.06496	3.0
145.10136	13.2
147.08067	1.9
147.11694	6.4
148.75706	1.1
149.09612	2.1
149.13287	2.2
155.08557	6.9
157.10136	7.2
159.08087	3.4
159.11707	10.0
161.09598	1.1
161.13258	3.4
163.11218	2.8
167.08527	3.1
169.10149	5.4
171.08124	1.4
171.10275	1.7
171.11641	8.0
173.09583	3.5
173.13313	6.3
175.11221	1.5
175.14905	1.2
181.10164	4.9
181.12193	1.0
183.11766	6.2
185.13261	5.7
187.11263	1.2
187.14853	3.0
189.11211	1.9
193.12126	1.8
195.11728	3.4
197.13329	4.3
199.14934	2.0
201.12735	1.4
201.16533	1.3
205.10367	1.1
207.11777	1.5
209.13260	2.3
211.14787	2.7
213.12723	1.7
219.11771	1.4
223.15041	1.5
227.12791	4.6
229.14407	1.4
241.19571	1.5
251.18082	1.8
259.20505	1.7
267.15845	2.4
277.21936	1.2
283.20575	2.2
297.22205	3.5
299.23682	6.1
301.21680	1.5
325.21884	1.6
333.24548	2.0
339.22983	1.7
357.24603	2.0
415.29782	1.5
423.32758	2.5
433.31262	6.9
451.32175	11.8
469.33298	5.7
499.34116	1.2
507.34772	2.5
515.37201	1.7
525.35797	22.6
543.36871	100.0
544.37250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47536	1.1
69.26692	1.0
70.24300	1.0
71.20722	2.3
71.21076	1.1
146.52258	1.0
166.24559	1.1
170.79924	1.1
192.77020	1.1
245.05038	1.3
301.49695	1.2
363.06927	1.7
381.07925	16.5
441.83081	1.2
516.98907	1.2
543.13263	100.0
544.13501	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	542.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01697	1.9
51.03595	1.9
63.73056	2.1
70.04852	9.2
70.06583	3.6
79.05474	6.0
80.15625	2.1
80.34715	2.1
81.03409	2.9
81.07034	3.5
85.02903	6.8
91.05476	9.1
94.04189	2.9
95.04969	3.1
103.05492	15.0
105.07046	20.6
107.04925	4.8
111.75600	2.1
115.05464	2.4
118.04174	7.2
119.04941	2.5
120.05784	2.4
121.06509	8.6
122.03634	6.4
123.04446	2.8
123.08096	2.6
127.03904	2.6
131.04939	17.4
133.06502	33.6
135.04382	4.0
135.08043	9.2
137.05986	100.0
138.35371	2.1
141.15013	2.1
143.72118	2.1
145.06438	2.9
149.06010	15.1
150.06796	11.1
151.07587	11.6
157.06335	2.1
161.05952	3.1
163.03879	2.3
163.07561	48.7
165.09073	11.0
167.07063	9.9
175.07643	4.0
177.05475	8.5
177.09102	46.3
181.08594	5.2
189.09035	3.5
193.08601	52.6
203.10710	5.2
208.09673	2.9
209.08142	29.8
211.09666	87.2
221.11819	14.2
223.04239	6.6
285.72519	2.2
295.13248	16.3
327.15915	22.3
433.55090	2.6
542.26544	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	542.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38015	1.0
55.01854	0.9
56.96602	1.0
66.52824	0.9
66.61040	0.9
70.06586	1.4
77.50320	0.9
85.02934	1.1
91.05493	2.3
93.07045	1.0
94.04209	0.9
96.81767	0.9
103.05504	4.4
110.50748	1.0
112.32288	0.9
117.07053	1.8
119.04937	1.0
121.06513	1.4
123.04357	2.1
131.04947	14.7
135.08096	1.0
137.05971	14.5
151.03909	1.6
151.07552	2.9
162.06808	1.6
163.07562	41.2
167.07016	1.0
175.07497	2.1
177.09116	100.0
178.09468	1.5
184.77657	1.1
195.10167	2.8
202.64241	1.0
203.10640	1.8
221.11751	24.5
254.13435	1.0
267.07132	1.0
359.40149	0.9
405.61490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.6
57.57323	0.6
61.60057	0.5
68.06158	0.5
69.83635	3.4
79.05490	0.9
80.01093	0.5
84.04517	4.1
91.05489	1.7
93.07062	1.4
98.20878	0.8
102.05567	1.1
103.05473	8.4
104.81497	0.6
107.04980	1.9
119.04981	1.6
120.08112	100.0
121.06499	1.9
121.08471	1.2
130.05049	1.4
130.08627	0.7
131.04915	2.8
136.06219	1.4
137.06000	1.2
140.39804	0.6
147.04408	3.8
148.06088	2.7
149.05986	2.0
153.01828	0.6
163.81021	0.6
166.08649	43.9
167.07054	0.9
177.05505	0.7
179.07083	2.4
237.02859	0.6
409.38651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25962	0.6
52.78720	0.7
53.03932	1.4
53.74431	0.6
55.01872	1.5
56.03016	0.7
57.03431	1.0
65.03938	0.8
66.13610	0.6
67.05524	0.7
69.85659	3.4
70.06588	0.9
70.92612	0.6
72.66080	0.7
75.04457	1.0
77.41743	0.6
78.58622	0.6
79.05499	5.3
84.01605	0.7
85.02899	1.0
91.05479	7.1
93.03410	1.8
93.07043	2.1
95.04961	2.3
97.06522	0.8
98.21483	0.8
103.05470	6.0
104.06253	0.8
105.07040	21.3
106.04186	3.3
107.04961	4.5
108.05775	1.2
109.06522	1.2
113.81283	0.6
115.05486	1.5
116.61807	0.7
118.04160	6.6
119.04970	3.1
120.05701	2.1
121.06510	7.7
122.07283	1.4
123.04443	1.4
123.08067	2.5
124.05217	1.6
125.06009	1.8
131.04903	2.4
132.05688	1.2
133.05482	0.9
133.06506	19.5
135.04439	3.1
135.08047	4.4
137.05998	6.6
144.06732	0.6
146.03648	1.8
147.04427	1.0
148.05188	1.2
149.05991	10.8
150.06781	11.9
151.03804	0.9
151.07578	5.1
153.09116	2.3
161.05956	3.2
162.01373	0.7
163.03922	1.7
163.07578	1.3
165.09129	14.9
167.07050	12.6
177.05522	7.2
178.06288	2.6
179.07047	2.1
181.08638	5.7
191.06932	1.4
192.07851	0.8
193.08618	54.9
194.08904	0.6
195.06580	0.9
197.11639	0.7
207.08925	0.8
209.06058	1.1
209.08109	32.4
211.09668	100.0
212.10027	1.6
223.04243	8.0
267.06723	0.7
312.09009	0.9
371.15186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01882	2.6
55.05517	10.9
57.03438	4.1
57.07082	28.0
65.03939	2.0
67.05511	25.2
69.07071	14.1
70.06264	2.1
70.06583	12.0
71.08626	16.1
71.51625	1.9
73.02927	2.6
79.05490	12.8
81.03397	2.7
81.07068	40.0
83.04990	4.7
83.08636	11.3
85.06548	2.9
85.10187	8.9
85.29971	2.0
85.38962	2.0
88.07635	17.6
89.06037	8.6
91.05480	14.1
93.07034	14.0
95.04984	3.2
95.08605	19.2
97.06561	4.3
97.10164	4.9
102.09187	12.3
103.09519	2.7
105.07050	17.4
107.08617	6.7
109.10159	5.5
119.08584	13.5
121.10164	10.5
123.08040	2.6
123.11765	12.4
129.06990	2.4
131.08655	2.7
133.08644	4.8
135.11685	2.1
145.10164	3.4
147.11711	23.2
157.10132	2.8
159.11760	2.5
165.12766	11.4
166.08566	2.1
168.42987	1.9
168.63699	2.1
171.11685	3.4
197.13231	2.2
217.74304	1.8
239.23677	2.1
256.26462	22.8
257.26743	20.4
267.15921	26.9
275.27631	2.0
283.26318	3.2
284.26797	2.9
285.17001	18.3
311.29514	16.4
312.29831	20.7
313.27420	31.8
328.20425	2.3
523.40161	20.5
540.53143	2.6
541.39270	10.0
541.53882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44404	0.6
51.02388	1.4
53.03949	10.7
55.01875	2.9
55.05515	26.2
57.03440	3.9
57.07072	2.5
65.03945	5.0
67.05508	78.4
69.03430	2.0
69.07071	18.5
70.90923	1.8
71.04994	3.4
71.08656	1.0
73.06548	1.6
77.03928	3.1
79.05495	100.0
81.03426	7.6
81.07061	69.2
81.07753	1.0
83.04984	10.1
83.08625	9.1
85.02900	1.5
85.06544	2.4
86.43449	0.8
87.89727	0.8
91.05486	68.6
93.07047	83.8
93.58300	0.7
95.04976	18.4
95.05569	1.1
95.08611	44.2
97.02919	0.8
97.06532	5.1
97.10166	5.2
103.05508	1.8
103.54977	0.7
105.04529	3.7
105.07036	45.0
107.04950	5.1
107.07873	1.7
107.08598	29.9
107.73065	0.8
109.06532	5.1
109.10175	12.1
111.08108	1.2
115.05469	2.2
117.07027	13.5
119.06055	0.8
119.08585	30.6
121.06509	1.5
121.10149	17.5
123.08070	6.0
123.11734	2.1
125.09545	0.7
127.07528	1.1
128.06221	3.1
129.07025	11.3
131.08566	14.1
133.10130	14.9
135.08078	1.5
135.11690	12.4
137.13292	1.3
141.06989	1.3
142.07802	1.0
143.08566	9.9
145.10127	13.2
147.08083	1.4
147.11696	32.2
149.13281	5.8
150.88411	0.8
155.08601	2.7
156.09393	0.9
157.10144	3.4
159.11717	7.2
161.09586	3.6
161.13272	12.6
163.11374	0.9
163.14868	1.4
169.10187	3.2
171.11694	25.9
173.13213	3.6
175.14873	1.6
175.16302	0.9
179.14375	1.3
181.10133	1.3
183.11768	2.2
185.13287	1.5
187.14796	1.1
189.12727	8.3
190.50406	0.7
197.13367	1.6
199.14845	2.2
201.16522	0.9
207.13812	26.6
209.13206	1.2
211.14755	1.5
225.14877	2.4
243.21107	1.2
256.84030	0.8
261.22137	5.4
264.72733	0.7
281.17532	2.0
317.24744	1.2
400.61502	0.8
431.32919	1.5
449.34250	3.3
467.35220	1.7
523.37885	1.6
541.38934	86.8
542.39313	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	541.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
54.52040	0.8
55.01881	8.0
55.05264	1.8
55.05515	22.4
57.03445	3.3
57.07066	1.1
65.03930	2.3
67.05513	38.2
69.03438	2.9
69.07070	18.6
71.04989	2.9
79.05500	36.5
81.03424	28.1
81.07059	33.6
83.04987	3.8
83.08629	13.5
85.06564	2.1
91.05485	28.9
91.06013	1.9
93.07053	22.3
95.04981	15.8
95.08608	17.8
97.06540	8.5
97.10173	11.0
103.05505	1.5
103.62385	1.0
105.07037	26.3
107.04976	8.7
107.08607	18.7
109.06519	4.8
109.10170	9.0
111.08117	3.9
115.05470	2.7
115.21093	0.9
116.06251	2.0
117.07027	11.8
119.08590	21.3
121.06501	5.3
121.10148	7.8
123.08118	2.8
123.11745	1.8
125.09643	8.7
128.06264	4.0
129.07021	14.2
130.07811	1.0
131.04947	1.2
131.08580	18.3
133.06497	2.2
133.10150	10.5
135.08075	4.7
135.11710	3.5
137.09630	1.6
141.06972	6.0
142.07866	3.2
143.08562	10.5
144.09290	1.0
145.06522	6.1
145.10124	14.8
146.07118	1.1
147.08081	3.6
147.11647	9.1
149.09634	7.6
151.11176	1.4
153.07076	1.6
153.09198	2.1
155.08528	8.8
156.09296	1.0
157.06529	2.4
157.10118	11.6
159.08102	4.5
159.11717	7.9
161.09677	1.5
161.13292	1.6
163.11223	4.4
165.12773	1.1
166.07730	1.0
167.08589	3.7
168.09355	1.3
169.10120	8.1
171.08081	3.5
171.11649	8.2
173.09732	2.9
173.11833	1.4
173.13319	3.9
175.11224	3.1
177.12759	2.5
179.08633	1.6
179.14333	1.2
181.10085	5.4
182.11038	1.0
183.08089	2.4
183.11722	7.7
185.09721	2.2
185.13315	4.4
187.11249	2.7
187.14920	1.5
189.11282	3.4
189.12820	1.1
193.10410	1.9
193.12299	9.8
195.11830	4.4
196.12637	1.2
197.09624	1.9
197.13266	4.6
199.11230	3.8
199.14841	1.6
205.12210	1.7
207.11700	1.8
209.13354	3.9
211.11270	2.4
211.14880	2.7
213.12805	1.8
221.13406	2.0
225.12898	1.3
227.12682	1.5
229.19418	1.6
235.14845	1.7
239.18001	2.5
247.16959	1.6
247.20668	1.1
249.14796	2.0
253.19615	1.1
257.19073	6.0
273.18607	2.0
275.20123	18.4
281.19049	2.4
293.21201	2.2
295.20587	1.6
297.18857	1.4
297.22333	3.5
299.20126	4.7
311.19919	1.4
315.23166	1.2
317.21490	1.0
323.20026	1.8
327.19583	1.4
329.21378	1.2
351.23386	1.8
355.22916	2.8
369.24078	1.4
373.23956	1.7
406.93311	1.2
431.29559	4.9
449.30530	12.2
467.31543	9.0
485.32584	3.7
505.33099	1.3
523.34247	11.9
541.35345	100.0
542.35803	4.2
558.17078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18017	1.5
61.02905	1.8
69.03422	2.8
71.51231	1.8
76.45305	1.6
79.05502	1.9
81.03413	2.3
85.02897	8.7
91.05490	11.5
95.04986	3.2
97.02893	2.2
97.12708	1.5
105.07027	3.1
107.04949	2.3
109.06514	4.0
119.04952	10.5
119.58204	1.8
121.06519	5.7
123.04430	2.7
123.08057	2.6
127.03958	2.2
128.06261	2.0
129.07008	12.9
131.05000	4.2
131.08560	9.2
135.08018	2.8
136.05247	2.2
137.05984	51.4
141.06978	6.7
145.06479	3.0
149.05994	7.6
151.03885	2.6
151.07552	64.0
157.06514	12.7
158.07251	2.4
159.08040	6.1
161.05997	6.7
163.07573	15.0
165.06799	1.9
165.09137	3.7
167.08594	9.0
169.06445	4.1
174.06772	16.2
175.07544	5.5
177.09113	3.1
181.53552	1.8
186.06853	2.6
189.09131	47.6
191.10579	2.0
193.06499	2.8
193.10179	3.2
195.08072	14.7
201.09151	7.1
207.10193	3.9
209.09727	2.0
210.06764	1.9
212.08307	2.6
219.10173	90.5
221.05975	3.0
221.09653	4.8
223.07607	6.4
224.08340	2.1
225.09189	5.6
227.10698	20.5
239.07057	2.5
249.08943	3.2
253.08675	8.6
253.12212	8.5
255.10173	20.5
267.10211	3.7
269.08325	3.1
272.10477	2.6
281.11713	4.3
285.11243	14.9
287.12787	38.0
297.11404	2.4
299.12668	2.0
313.14386	29.2
331.15402	100.0
477.31705	1.8
540.31628	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	540.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35937	0.4
69.48886	2.7
70.06543	0.6
91.05475	0.5
97.02850	0.5
98.21580	0.8
98.92072	0.4
103.05433	0.6
107.98166	0.4
120.04419	1.0
120.50675	0.4
126.19324	0.4
131.04904	0.5
136.64809	0.5
137.05925	1.7
140.07040	0.6
146.05971	0.9
150.05511	0.5
151.07515	1.2
152.07031	1.8
152.45416	0.4
156.10190	1.0
163.07474	1.8
166.08641	0.6
175.23874	0.4
176.10687	1.1
177.09113	7.6
190.04893	0.6
192.06517	0.5
194.08093	1.6
194.11783	2.5
200.44940	0.4
202.08727	0.5
204.13000	0.4
209.10707	1.5
210.11446	0.6
211.08673	0.4
211.12201	0.5
221.11717	0.7
222.11563	0.8
223.12279	2.0
224.09306	1.0
225.10234	2.3
226.10928	0.6
233.10822	1.0
234.09206	0.6
235.08621	3.5
236.09459	3.0
237.10202	9.1
238.10944	2.4
239.11737	0.9
240.12556	0.7
241.13475	0.6
248.09538	0.5
249.10225	8.4
250.11031	5.5
251.08238	1.8
251.11784	15.2
252.12506	2.3
253.09729	16.0
254.10352	0.8
261.10175	1.0
262.10858	1.2
263.08139	1.4
263.11795	2.4
264.08957	0.8
265.09729	17.1
265.12689	1.0
266.10498	1.8
267.11285	5.2
268.12036	0.8
277.09830	4.1
278.07211	0.8
278.10504	7.2
279.07742	4.0
279.11246	23.5
280.08847	0.8
280.12027	5.6
281.09241	0.7
281.12842	1.6
282.09949	0.8
283.10779	1.5
284.11414	0.5
289.09778	1.0
291.11243	1.1
292.12100	0.6
293.09174	6.4
293.12845	6.6
294.09940	3.2
294.13306	1.0
295.10739	4.1
295.14365	2.9
296.11542	1.0
297.12314	5.2
306.09879	1.0
307.10754	2.8
308.11444	1.4
309.08905	1.1
309.12296	6.4
311.10184	2.9
311.13895	2.5
312.11020	12.3
313.11594	0.6
313.14969	0.5
321.12350	0.7
323.14056	1.3
324.11011	3.8
325.11813	12.4
326.12546	1.3
327.13391	47.0
328.13837	1.2
331.15408	0.9
334.09116	0.5
335.10242	4.5
336.10983	1.8
337.11853	5.9
338.12637	0.6
339.13391	100.0
340.13922	3.4
341.14874	0.8
352.10501	1.7
353.11295	8.3
353.15405	0.3
354.12045	0.7
357.14200	0.7
367.12885	91.4
368.13599	7.3
369.14169	0.7
384.13031	0.8
385.13925	11.2
399.10291	0.8
399.15506	14.0
400.16360	0.6
476.18179	5.2
480.21158	1.7
508.20807	86.2
509.21179	2.1
526.21985	1.0
540.23376	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	540.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24046	2.1
57.03443	4.5
61.02943	2.1
69.03423	12.4
70.06593	2.3
70.70403	4.5
70.70779	3.9
79.05463	2.4
81.03389	2.5
81.07076	2.5
85.02901	7.4
87.04468	6.9
91.05491	100.0
93.03435	3.2
93.07043	2.9
95.04984	3.0
97.02892	7.0
105.07014	2.9
106.04194	7.0
115.03937	9.4
121.06503	9.9
123.04417	6.6
133.04965	11.8
137.05977	2.5
139.03951	11.9
149.05983	12.0
153.01788	2.3
153.09076	2.6
158.92026	2.4
177.05496	4.6
181.08630	6.9
183.01047	2.2
209.08113	26.2
262.41071	2.0
418.66772	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36412	1.1
53.03941	3.3
55.01875	1.6
55.05514	19.7
57.03428	2.7
57.07079	58.3
59.05008	1.2
61.02925	2.0
65.03955	2.9
67.05507	67.1
69.03436	1.9
69.07071	18.4
69.28161	10.4
71.04997	60.2
71.08634	38.1
79.05071	1.0
79.05495	25.7
81.03417	2.0
81.07060	94.9
81.87514	1.2
83.04987	13.4
83.08620	21.3
85.02936	1.4
85.06540	4.6
85.10193	19.2
85.10699	1.9
89.06045	4.9
91.05482	42.6
93.07047	24.1
94.60906	1.2
95.04993	3.8
95.08614	38.3
97.06538	7.8
97.10152	7.0
99.08115	2.7
105.07036	19.2
107.08598	12.8
109.06528	4.5
109.10151	22.4
111.08105	3.0
111.11707	2.8
117.07036	4.3
119.08604	1.5
121.06513	1.5
121.10147	5.1
123.11716	23.4
131.08577	5.6
133.08655	1.9
133.09033	1.2
133.10135	26.8
135.11707	6.2
137.13300	2.5
145.10129	1.7
149.13242	11.2
151.11194	12.3
159.11665	6.6
159.84161	1.3
169.12193	2.0
177.12788	4.9
183.13805	19.7
187.13326	2.8
195.13893	4.1
201.14893	1.5
227.12903	2.0
227.16357	2.0
239.23663	9.5
269.17551	3.6
283.15805	1.5
283.19073	2.7
285.17087	5.4
313.27539	4.4
327.20209	2.1
339.29156	2.7
341.26907	4.1
390.76163	1.6
422.43430	1.3
495.40469	37.4
507.40753	3.0
539.43231	100.0
540.53802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73865	1.6
53.03934	2.8
55.01858	2.6
55.05509	15.7
55.73414	1.5
57.03434	10.1
57.07078	38.2
67.05508	25.8
69.07069	12.8
69.31194	14.0
69.38129	1.4
71.04970	4.9
71.08633	26.0
75.77071	1.5
79.05492	26.1
81.03400	3.0
81.07059	34.5
83.04972	4.3
83.08620	14.8
85.06538	2.3
85.10186	13.4
89.06027	4.2
91.05474	8.5
93.07047	38.0
95.04958	5.6
95.08611	48.4
97.02885	3.2
97.06534	3.5
97.10159	4.7
99.04432	3.2
105.07027	8.0
107.04942	6.2
107.08601	24.7
109.06570	1.5
109.10155	12.8
111.04350	2.0
117.07004	8.0
117.09128	2.6
119.08591	8.3
121.06513	4.8
121.10145	11.6
123.11687	3.2
125.06006	1.9
130.07832	1.7
131.08553	2.8
133.10149	4.0
135.08078	3.6
135.11699	40.3
137.13246	1.8
139.07533	1.7
143.08511	1.7
145.10120	23.7
159.11513	1.9
163.09860	3.0
163.11183	46.5
181.12248	10.0
209.11797	3.0
221.13396	1.7
227.12785	100.0
228.13063	1.5
239.23676	4.5
256.26294	3.2
259.34485	1.5
283.15411	39.3
313.27353	81.6
335.60413	1.5
521.38434	52.3
539.38483	1.7
539.51910	4.5
540.53131	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.5
55.01861	13.9
55.05308	3.9
55.05521	41.3
57.03435	12.9
57.06798	3.6
57.07079	69.7
65.03961	3.8
67.05180	6.2
67.05514	81.7
69.03439	6.3
69.07065	26.7
69.20694	35.9
71.04986	8.3
71.08638	52.7
79.05501	75.2
81.03413	15.4
81.07059	84.8
83.05001	17.5
83.08623	29.3
85.10197	23.7
87.84255	3.6
91.05493	67.5
93.07056	71.6
95.04963	22.7
95.08609	80.0
95.95312	3.8
97.02887	7.0
97.06522	10.8
97.10162	15.1
98.21496	7.0
99.95667	3.3
105.07043	44.5
107.04945	13.0
107.08599	39.8
109.06515	5.4
109.10167	24.1
111.04459	10.6
117.07001	24.7
119.08604	24.6
121.06537	6.0
121.10146	20.9
121.27885	3.7
123.11679	6.2
125.09631	4.5
129.07002	16.6
131.08591	16.3
133.10164	22.2
135.11694	40.7
137.13277	5.1
141.06985	4.4
143.08551	11.8
145.10123	42.0
147.11696	13.0
149.09642	5.7
155.08617	10.5
157.10149	10.3
159.11681	8.2
161.13177	4.8
163.11229	52.9
165.31903	3.5
169.10088	6.4
171.11691	16.9
173.09601	7.2
173.13281	8.5
181.12210	9.8
183.11697	4.5
185.13275	6.8
191.10690	10.9
195.11687	4.3
199.14830	3.9
207.13791	5.8
209.11728	41.0
211.14856	5.2
227.12817	77.7
239.23756	11.4
241.19427	5.7
281.17538	7.8
283.15411	47.5
313.27396	57.2
315.23166	7.1
447.32672	4.7
465.33551	4.9
505.03259	3.7
521.38300	40.4
539.39185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72855	3.7
51.39256	3.3
53.03948	4.7
55.01867	9.0
55.05518	40.9
57.03426	17.5
57.07078	65.3
59.04989	3.9
65.03925	5.2
67.05505	70.9
69.03433	4.6
69.07074	37.9
70.04093	3.8
71.04993	8.2
71.08632	57.9
73.21543	3.7
79.05499	60.2
79.17933	3.6
81.03393	9.8
81.07058	74.8
83.04961	12.2
83.08627	31.0
85.10194	30.3
89.06039	5.3
90.18285	3.7
91.05473	34.3
93.07050	68.9
95.04961	15.1
95.08608	76.0
97.02919	6.2
97.06528	11.3
97.10172	17.5
105.07042	17.8
107.04962	20.9
107.08604	43.6
109.06533	6.8
109.09510	5.9
109.10132	26.5
111.04427	7.8
117.07036	21.2
119.08631	19.4
121.06580	8.2
121.10141	23.2
123.08034	4.5
123.11697	12.6
129.07079	8.1
131.08585	14.0
133.10123	17.7
135.11702	47.2
137.13211	3.5
143.08527	5.0
145.10136	36.4
147.11678	4.8
155.08537	11.2
157.10149	8.4
159.11729	5.7
159.25273	3.8
161.65796	3.5
162.86966	3.7
163.11177	53.6
167.08595	5.3
169.10086	8.0
173.09613	5.3
181.10182	5.7
181.12187	14.2
183.11736	8.0
191.10672	11.5
195.11575	5.0
209.11693	25.9
227.12790	100.0
229.44141	6.0
239.23666	7.3
265.14377	7.7
283.15405	49.1
313.27399	78.1
326.98447	5.2
328.31610	4.2
353.87201	4.2
371.54443	3.9
398.14066	4.0
446.47052	5.1
447.32977	5.3
521.38373	49.1
539.38538	92.4
539.52026	5.0
540.53320	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	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
55.05516	21.4
56.66291	3.0
57.03449	13.5
57.07077	54.9
61.23388	2.5
61.85340	2.6
67.05506	42.5
69.07070	21.1
71.04998	13.8
71.08636	30.9
79.05501	32.0
79.62547	2.8
81.03419	3.0
81.07066	53.1
83.04984	5.3
83.08627	19.0
85.10182	17.4
85.60786	2.4
89.06029	6.7
89.85323	2.5
91.05479	18.6
93.07067	33.2
95.04969	8.4
95.08615	69.8
97.02893	3.0
97.06535	3.9
97.10175	12.1
99.04462	5.4
99.08088	3.3
99.80634	2.6
105.07048	10.6
107.04947	9.6
107.08611	27.8
109.06480	3.8
109.10162	17.2
111.08109	3.8
117.07024	10.9
117.75333	2.5
119.08572	10.3
121.06490	5.3
121.10136	13.2
123.11729	7.8
133.10141	9.2
135.11707	47.0
145.10112	23.0
155.08482	3.9
156.13771	2.6
163.11180	52.6
181.12265	8.5
183.13759	3.8
187.11699	3.4
187.13438	2.9
227.12801	100.0
229.43555	3.1
239.23727	6.5
283.15421	48.4
313.27396	94.0
392.49487	3.4
393.20914	3.8
437.19601	4.0
451.21194	5.4
495.40305	9.9
521.38324	51.4
539.26654	46.5
539.35590	4.5
539.42896	16.2
540.53473	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	539.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
53.87125	1.0
55.01862	3.5
55.05515	16.9
57.03418	3.9
57.07077	2.5
65.03918	3.6
66.91894	1.2
67.05509	29.0
69.07069	12.8
69.14940	11.9
71.04979	2.3
77.03900	1.3
79.05067	2.2
79.05492	28.7
81.03426	1.6
81.07063	28.5
83.04964	2.7
83.08643	5.7
85.06535	2.1
91.05487	31.4
93.07046	28.2
95.04984	6.1
95.08614	18.7
97.06519	3.5
97.10158	3.4
98.21526	2.3
98.24494	1.1
105.04510	1.3
105.06399	1.9
105.07038	23.9
107.04954	2.0
107.08611	10.8
109.06552	1.7
109.10180	8.3
115.05429	2.2
117.07021	13.3
119.08588	17.3
119.09385	2.0
121.10149	5.0
123.08048	2.4
125.09624	2.0
128.06213	4.7
129.07014	13.0
131.08582	19.7
133.10133	10.4
133.34720	1.4
135.11719	5.0
141.06982	6.7
142.07758	3.3
143.08562	17.8
145.10135	15.7
147.08044	1.3
147.11702	10.3
149.13295	1.9
152.48257	1.1
153.06985	3.2
155.08560	18.6
156.09302	2.0
157.10141	13.1
159.11682	9.9
161.13297	3.4
165.07068	2.4
166.07802	1.6
167.08617	7.3
168.09349	2.8
169.10132	21.0
171.11710	16.5
173.13293	4.1
175.14783	2.3
178.66222	1.2
179.08557	3.8
180.09389	1.7
181.10147	14.1
181.11684	1.9
182.10913	1.5
183.11714	16.2
185.13342	6.6
187.14832	2.5
189.12761	1.5
193.10158	4.2
195.11697	13.1
197.13264	10.2
199.14833	4.2
205.10196	2.2
206.10817	1.6
207.11723	4.8
207.13730	2.6
209.13293	9.7
211.14758	6.9
213.16466	3.1
221.13258	4.7
223.14804	6.5
225.16362	2.9
227.12703	1.6
231.21114	1.6
233.13417	2.7
235.14833	2.6
237.16483	3.4
239.18028	1.9
247.14767	1.4
249.16338	2.5
251.17973	3.5
257.19052	1.6
259.20593	6.0
292.07535	1.1
303.21573	1.1
307.20566	1.8
309.22009	2.8
315.23288	3.0
321.22205	2.6
323.23813	2.5
335.23709	3.5
339.23373	1.9
345.22003	1.3
347.23447	1.7
349.25137	1.6
365.24594	1.7
381.28125	1.4
391.26303	1.2
429.31467	7.8
447.32684	23.1
465.33771	8.1
483.34705	3.5
485.34259	1.5
488.31863	1.4
503.35022	2.4
521.36267	11.8
539.37329	100.0
540.37628	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	539.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93938	1.2
53.03952	2.5
55.01880	1.7
55.05519	13.6
57.03443	2.6
57.07075	1.2
57.66528	1.5
65.03928	1.9
65.77621	1.1
67.05508	20.5
69.07073	10.3
69.29331	12.0
75.38868	1.1
79.05504	21.0
81.03420	1.4
81.07066	17.7
83.04984	2.0
83.08615	3.4
85.06553	2.4
89.78031	1.2
91.05492	22.8
93.07050	20.0
93.33613	1.2
95.04993	2.9
95.08613	16.8
97.06538	2.1
97.10171	3.3
98.20721	1.2
105.07037	23.0
107.08636	8.4
109.10162	3.9
117.07014	9.8
119.08581	15.6
121.06512	1.6
121.10168	4.8
123.08114	1.6
128.06224	3.2
129.07004	12.5
131.08562	14.9
133.10124	10.1
135.11678	2.6
141.06961	6.4
142.07784	2.5
143.08591	13.6
145.10139	10.6
147.11697	5.9
149.13333	1.3
153.07001	2.3
154.07799	3.1
155.08560	13.4
157.10153	10.4
159.11717	6.5
161.09560	1.8
161.13252	3.7
167.08603	5.9
168.09465	2.7
169.10162	16.8
170.10863	1.4
171.11702	12.3
173.13300	4.1
179.08618	4.1
181.10141	9.1
182.10881	1.6
183.11731	11.5
185.11917	1.6
185.13206	6.8
187.14752	1.5
189.12816	1.6
192.93382	1.4
193.10213	5.0
194.87418	1.2
195.11687	10.0
197.13290	8.6
199.14893	3.5
207.11771	4.3
207.13762	2.3
209.13351	6.7
211.14896	3.1
213.16405	2.4
219.11783	2.0
221.13316	3.4
223.14833	4.9
225.16432	3.1
231.21080	1.3
235.14886	1.5
237.16434	3.6
239.18021	1.7
241.19635	2.0
249.16385	1.5
259.20566	3.0
289.19559	1.3
293.18970	1.7
305.07700	1.3
305.22507	1.6
309.22369	1.5
315.23322	2.4
321.22305	1.2
327.23257	1.8
335.23773	2.9
377.24670	1.6
379.26477	1.6
419.33423	1.7
429.31616	4.7
437.33789	1.4
447.32642	17.4
465.33957	7.3
483.34622	5.9
503.35315	2.7
521.36346	11.0
539.37372	100.0
540.37738	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	539.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72580	2.7
51.92091	3.1
55.01876	4.4
70.06611	4.2
71.51351	3.8
79.05498	7.3
81.07059	6.1
85.02915	3.7
91.03989	2.8
91.05487	17.8
93.03349	3.6
93.07028	3.4
93.85455	3.0
95.04940	4.7
97.02921	2.8
103.05473	4.0
105.07048	7.6
107.04970	5.9
109.06542	3.2
115.05443	7.3
117.06999	3.7
119.04965	4.8
121.06513	9.0
122.03674	6.5
123.04436	12.3
123.08117	4.7
129.07007	8.5
131.04933	9.5
133.06503	3.8
135.04396	4.4
135.08090	6.8
137.05984	100.0
139.03912	12.8
143.04962	4.7
143.67697	2.9
147.04399	4.1
147.08018	4.3
149.05956	10.0
151.03894	5.2
151.07553	52.1
157.06499	3.5
160.05214	4.9
161.06010	43.9
161.09625	5.1
163.03912	4.8
163.07556	9.9
165.06909	4.3
165.09120	3.8
167.07071	20.4
174.06769	4.7
175.07565	37.0
177.05542	4.2
177.09084	8.5
189.09125	24.9
191.06926	4.2
193.06529	3.7
194.00127	4.4
194.07237	5.6
195.08287	3.8
195.10176	20.2
196.01633	7.7
207.08334	4.3
207.10115	17.3
211.07565	4.3
213.09358	3.2
219.08154	4.4
219.10229	3.9
222.06812	4.3
223.07664	4.1
225.09097	6.1
235.07468	5.0
236.08398	3.8
237.09155	9.3
249.09013	4.5
251.07091	3.7
251.10646	3.5
253.08809	6.4
255.06699	4.2
263.07108	3.8
265.08585	17.0
267.10220	4.6
270.08780	3.9
277.08661	10.5
278.09131	3.2
279.10226	8.5
283.09723	4.9
284.10620	3.0
285.11237	9.9
291.10260	4.0
295.09698	3.8
297.11417	25.2
299.12674	5.8
305.11859	5.0
309.11301	9.4
311.12772	26.9
313.10468	6.0
315.12241	5.5
323.12778	11.0
327.12393	5.8
335.12631	3.5
337.14395	19.8
342.72226	3.2
355.15421	31.7
367.15240	17.7
378.08566	4.9
461.19324	4.6
479.20593	4.5
508.20789	5.2
509.21826	4.4
538.79974	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	538.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
54.03473	1.0
55.01875	0.7
58.06608	0.7
63.77018	0.3
68.99792	2.6
70.06596	100.0
70.19500	0.9
70.19895	0.7
75.03609	0.3
76.02243	0.4
78.01791	0.4
79.01861	0.6
79.05493	0.7
79.54183	0.3
81.03410	0.6
81.07047	0.9
91.05486	1.5
93.07041	1.5
95.04967	0.8
97.02900	0.3
103.05460	1.6
105.07047	0.7
107.04954	2.0
109.02892	0.4
119.04939	0.8
121.06526	3.3
123.04430	8.7
131.04965	0.9
133.06506	1.2
135.04427	2.8
137.05980	0.6
143.03409	0.4
147.04419	4.8
149.05989	7.6
151.03879	0.5
152.02080	0.3
153.00571	0.6
153.01839	11.2
153.02962	0.8
159.04388	1.6
161.06015	2.4
165.05475	2.7
170.81340	0.4
175.07588	1.1
177.05476	66.6
178.05785	0.7
187.03984	0.4
189.05493	4.7
207.06523	0.6
234.11214	3.6
283.09555	0.4
311.09149	4.4
329.10233	3.4
368.14984	0.9
481.11362	6.9
538.17120	37.9
539.17609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.05501	17.0
57.03428	13.2
57.07078	42.8
65.03940	3.8
67.05503	55.7
69.07066	16.8
71.08630	38.1
79.05496	75.3
81.03403	11.7
81.07061	58.8
83.04971	15.6
83.08621	12.8
85.10183	16.7
91.05490	62.8
93.07050	62.8
93.56208	3.8
93.71777	3.6
95.04981	22.6
95.08608	45.8
97.06524	3.8
105.07027	43.8
107.04949	4.7
107.08622	14.4
109.10157	13.3
117.07062	6.9
119.08598	21.6
121.06462	4.4
129.07008	14.3
133.10123	8.2
143.08600	9.2
145.10114	11.6
147.11688	40.0
161.09607	4.2
161.13252	8.7
171.11673	30.5
189.12721	15.4
207.13727	32.6
229.43022	4.7
239.23802	5.7
281.17517	63.2
281.29453	22.9
282.27917	76.6
299.30603	17.4
313.27377	67.3
379.96417	4.1
432.97583	3.6
519.40430	100.0
537.53235	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	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.01868	4.1
55.05520	28.9
57.03435	14.0
57.07082	58.8
65.03942	3.5
67.05508	63.6
69.07072	27.1
70.06585	6.0
70.91307	7.0
71.08641	38.2
79.05497	90.0
81.03419	6.8
81.07063	66.8
83.04994	14.8
83.08618	21.8
85.06570	3.1
85.10190	22.6
88.07627	6.9
91.05480	63.6
93.07045	79.6
95.04974	22.1
95.08610	56.3
97.06521	3.0
97.10164	9.9
102.09248	3.6
103.05505	2.6
105.07036	49.1
107.04973	9.0
107.08637	15.1
109.06528	5.3
109.10144	16.1
111.08064	3.5
114.69438	2.4
117.07020	7.0
119.08593	26.6
121.06523	2.3
121.10139	6.2
123.08092	4.9
123.11764	4.3
128.06184	4.3
129.07014	21.1
133.10149	12.8
135.11693	3.0
143.08601	8.6
145.10144	7.8
147.08051	2.8
147.11697	48.3
161.09608	7.2
161.13232	13.8
171.11702	31.0
189.12785	11.1
207.13817	33.1
239.23871	4.4
256.26389	9.5
257.24432	2.8
257.26740	9.5
281.17496	69.2
313.27359	87.2
519.40503	100.0
537.50763	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.3
55.05513	23.1
57.03432	14.2
57.07080	45.6
67.05505	64.1
69.07069	19.0
69.30608	12.6
69.31032	16.1
71.08630	34.7
79.05070	7.0
79.05495	79.1
81.03415	9.0
81.07056	56.0
81.45938	3.9
83.04987	14.4
83.08604	14.7
85.10171	14.1
85.10623	3.4
91.05489	56.3
93.06493	3.9
93.07050	65.8
95.04984	22.3
95.08608	39.6
97.10176	8.4
105.04520	5.5
105.07027	40.9
107.04981	3.7
107.08579	12.3
109.06506	4.0
109.10154	13.8
117.07004	9.1
119.08574	20.8
121.10130	4.9
123.11724	6.9
128.06239	4.7
129.07007	11.1
133.10121	10.3
135.11765	3.7
143.08527	7.6
145.10092	9.3
147.11662	35.5
161.09593	5.9
161.13284	10.9
171.11676	33.2
177.93495	3.3
189.12744	14.3
207.13824	30.2
234.14853	4.0
281.17474	64.0
313.27338	84.6
502.98682	4.0
511.72830	3.6
519.40503	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	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.4
54.88639	1.9
55.01867	2.8
55.05513	28.5
55.10806	1.7
57.03445	16.8
57.07079	46.8
57.68438	1.9
63.72879	1.8
65.03938	3.6
67.05508	66.9
69.07076	22.8
71.05006	7.0
71.08639	30.4
73.06559	2.0
79.05499	77.0
79.60118	1.7
81.03420	7.1
81.07063	66.6
83.04993	16.4
83.08620	18.8
85.06550	5.4
85.10184	12.8
89.06052	4.2
91.05486	54.2
93.07052	70.4
95.04981	17.9
95.08614	54.0
97.06541	5.4
97.10177	9.1
98.21516	4.6
102.91090	2.0
105.04500	3.3
105.07039	41.1
107.04974	3.0
107.08591	19.0
109.06515	6.0
109.10149	15.1
111.08118	2.1
117.07025	8.5
119.08608	27.0
121.06474	2.7
121.10165	6.7
123.08080	10.1
123.11716	4.2
128.06267	3.2
129.07034	16.7
131.08568	3.6
133.10130	12.8
135.11716	4.4
143.08586	9.2
145.10146	9.7
147.08057	2.4
147.11708	41.9
161.09697	5.7
161.13347	9.4
163.11125	2.2
170.84482	2.3
171.11700	27.9
189.12746	10.8
207.13826	36.5
225.14885	4.4
239.23753	3.1
248.97646	2.8
256.26385	4.5
257.26889	3.3
281.17493	100.0
313.27405	65.2
313.31125	2.6
397.41110	2.0
462.87283	1.9
493.39398	2.7
519.40491	97.3
528.44940	1.9
537.41241	7.1
537.50647	9.6
538.52075	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	537.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	6.3
53.03944	4.1
55.01872	5.1
55.05513	29.4
57.03447	1.2
57.07079	54.2
59.04978	2.2
65.03928	1.9
67.05507	42.3
69.03442	2.0
69.07072	16.7
69.83676	0.9
69.84943	2.2
69.85335	1.9
70.06571	1.4
71.01353	2.4
71.04971	2.4
71.08636	38.6
73.02899	1.4
75.82204	1.0
79.05498	16.8
80.06311	1.0
81.03426	5.3
81.07062	50.8
82.07373	1.3
83.04974	4.0
83.08627	27.6
84.33247	0.9
85.06532	2.1
85.10184	22.3
88.07636	2.2
91.05477	28.4
93.07047	18.4
95.04990	6.0
95.08611	41.1
97.02895	4.2
97.06544	4.0
97.10174	10.0
99.00826	18.4
99.04452	1.9
99.08109	1.1
99.11746	2.1
102.09171	1.1
103.05454	2.7
105.04457	1.4
105.07034	21.5
107.04953	6.6
107.08594	10.3
109.02869	12.2
109.06529	2.6
109.10159	22.6
109.10844	1.8
111.04432	1.9
111.08100	4.4
111.11700	2.6
115.03957	3.2
117.07008	4.5
119.08566	9.5
121.06516	8.3
121.10131	1.6
123.04433	2.5
123.08064	1.3
123.11723	9.4
125.13262	1.2
127.03922	2.7
128.06244	1.9
131.08565	2.6
133.06516	2.9
133.09134	2.1
133.10136	41.4
135.08070	1.4
135.11678	2.2
137.06001	1.4
137.09602	1.3
137.13271	3.7
139.07549	3.6
143.08551	6.7
145.10115	1.8
147.08125	1.3
151.11195	12.6
151.14830	2.1
161.09630	22.2
163.11172	1.8
165.09084	1.5
171.08102	5.3
179.10675	16.3
189.09132	15.4
197.11787	5.0
207.10193	7.2
221.22784	1.6
225.11217	21.7
227.12773	1.3
239.23697	12.1
243.12343	3.3
256.26434	3.2
257.26688	1.2
281.13834	5.8
284.12418	0.9
313.27344	1.5
537.37872	100.0
537.49603	9.5
538.38123	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	537.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
51.02634	0.3
53.03958	0.4
53.69245	0.3
55.01862	1.0
55.05510	0.7
65.03946	1.2
65.69395	0.3
67.05502	0.7
68.99786	1.0
69.03430	0.9
69.07061	0.4
69.85653	1.6
71.01340	0.4
77.03937	0.4
79.05488	0.6
81.07051	0.7
83.04991	1.6
91.05495	1.6
93.03425	0.7
93.07043	2.1
95.04977	1.5
97.02890	0.7
99.07714	0.3
100.11301	0.5
103.05469	1.0
105.03357	0.4
105.07069	1.7
107.04966	1.2
107.08576	0.4
109.06548	1.0
111.00784	0.6
111.04461	5.1
117.07008	0.6
119.04977	0.5
119.08605	1.2
121.06519	0.9
123.04444	26.2
129.07037	0.3
131.04965	2.5
131.08572	0.5
133.02911	0.5
133.06491	2.3
133.10159	0.6
135.04468	0.8
137.06012	1.8
139.03917	100.0
140.04329	0.3
142.07841	0.4
143.08580	0.7
145.06505	1.5
145.10127	1.0
147.04434	2.2
147.08012	0.5
149.05969	0.8
150.06775	0.4
151.03923	2.0
157.06480	1.6
157.10139	0.5
159.08075	0.7
159.11713	0.7
161.06001	1.2
161.09618	1.6
162.06778	2.4
162.08000	0.4
163.03935	0.7
163.07513	1.6
171.04556	0.4
173.05962	0.3
173.09702	0.3
173.13322	1.1
175.03981	0.3
175.07510	0.5
177.05524	0.9
181.06631	0.4
185.13206	0.5
187.11230	0.6
189.05498	1.5
189.09135	0.6
195.08191	0.3
201.05482	0.7
201.12793	0.8
203.07098	0.4
211.11159	0.6
219.06580	1.1
219.13785	0.6
223.07445	0.4
229.12262	1.0
247.13329	3.9
255.06633	0.4
263.06946	0.5
265.08755	0.3
273.07584	6.4
292.07718	0.3
293.12997	0.5
301.10822	0.3
321.15009	0.4
339.08713	0.4
351.09857	0.4
395.11432	0.3
535.54541	0.3
537.40088	1.4
538.21796	0.5
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
55.05513	1.0
56.05033	1.5
58.06610	1.6
58.16393	0.5
60.08167	18.9
67.05511	4.2
69.07079	1.3
69.85989	2.5
71.04973	0.5
71.07374	7.8
79.05493	2.2
81.07054	4.0
86.09711	51.6
88.73098	0.5
91.05462	1.3
93.07045	2.0
95.08624	1.8
95.40407	0.5
98.98479	4.2
104.10749	96.1
104.15371	0.5
105.07024	0.9
106.96394	0.5
107.08620	1.2
109.10168	0.6
119.08641	1.0
121.10198	0.6
125.00010	29.2
131.08562	0.8
133.10136	0.7
140.00146	0.5
140.45218	0.5
184.07347	100.0
185.07706	1.7
186.07684	0.7
205.76361	0.6
219.12004	0.5
258.11053	1.2
299.06012	1.5
351.24826	0.7
487.15875	0.6
500.31332	7.0
518.32465	40.8
519.32520	1.0
536.31921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24780	0.3
54.51880	0.3
55.05513	0.6
56.05035	0.6
58.06618	0.5
60.07884	0.4
60.08167	6.5
63.48416	0.2
67.05497	0.9
67.19097	0.2
69.07085	0.4
70.68618	0.6
71.07379	3.2
74.69400	0.3
81.07055	0.7
86.09708	32.1
93.07014	0.5
93.41384	0.3
95.08616	0.4
98.98459	3.3
104.10744	3.3
108.89162	0.3
117.04199	0.3
125.00008	22.9
157.13565	0.3
184.07347	100.0
185.07689	0.6
192.41669	0.3
264.74500	0.3
328.20416	0.3
443.18683	0.3
500.31143	0.9
518.32373	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	536.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75394	1.0
53.03948	1.7
55.01876	1.8
57.03446	6.5
69.03400	1.5
70.06557	1.6
70.71693	1.0
70.92117	1.0
71.05000	45.4
71.50382	1.9
73.02901	1.8
75.04482	2.7
79.05510	5.7
81.03390	1.0
83.04971	2.6
84.04493	2.6
85.02914	57.1
91.05473	4.1
95.04978	1.2
97.02888	1.1
98.06033	1.1
99.04465	1.2
100.93426	1.0
103.05495	7.2
105.07041	53.3
111.04442	2.1
115.05470	10.7
118.04173	3.2
120.40175	1.1
123.04441	1.2
129.05501	20.3
131.04890	2.3
133.06505	55.0
142.18532	1.3
143.06047	3.6
144.06505	1.6
146.08090	1.7
147.06526	9.0
161.05994	100.0
161.35498	1.1
162.07568	1.3
164.09274	3.1
167.07036	2.9
171.81198	1.2
177.05482	1.5
180.08626	1.6
193.08629	90.9
211.09772	1.6
299.06070	2.3
381.85880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
55.05508	4.4
57.03431	3.8
58.99590	18.8
67.05503	5.9
69.03411	5.3
69.07082	11.9
70.06599	6.5
70.42200	8.1
71.05000	6.1
73.04726	2.5
74.00671	6.5
76.02236	100.0
76.03989	8.8
79.05509	14.3
81.03431	23.2
81.07047	9.8
83.04970	9.1
83.06120	2.7
83.08620	5.3
84.04514	39.1
84.08136	5.5
85.04013	4.4
86.99029	4.7
91.05478	13.1
91.76050	2.5
92.01728	5.2
93.07014	3.7
95.04956	10.0
95.08602	3.9
97.02843	2.6
97.06524	12.0
99.05592	8.3
105.07011	10.0
107.04935	2.9
107.08595	4.4
111.08100	2.7
115.07594	13.8
116.01674	26.4
119.08575	5.1
121.10168	3.5
123.04413	7.7
129.06946	3.9
130.05013	27.9
131.04480	4.2
131.08575	4.1
133.10156	4.6
137.05972	5.9
142.03224	8.7
144.01154	15.9
145.06137	14.6
147.04372	4.3
147.11693	5.7
151.03891	5.6
157.10126	6.2
162.02223	49.4
164.42790	2.1
165.05490	22.9
170.02692	4.1
175.11177	4.1
177.03291	19.8
179.04874	99.7
193.12271	17.3
195.04376	5.6
199.07141	3.7
201.16525	2.6
203.73695	2.5
211.13290	38.3
215.04756	3.3
233.05908	28.8
267.31976	2.2
274.10260	3.2
288.06378	3.0
291.06354	3.9
299.06091	4.7
306.07455	5.6
306.96936	2.2
308.09103	78.4
317.10150	12.0
345.67303	2.3
465.82367	2.5
526.71289	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	535.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	17.6
55.01878	8.9
55.05514	27.9
57.03437	4.7
57.07080	63.6
64.06672	1.7
65.03933	3.6
67.05509	77.7
68.36841	2.0
69.03432	3.9
69.07075	24.6
70.06639	2.1
70.34632	1.8
71.01392	3.1
71.04992	5.8
71.08638	38.2
79.05500	42.3
81.03422	34.7
81.03870	3.0
81.07062	96.0
82.07399	2.5
83.04989	11.1
83.08623	26.2
84.83662	1.8
85.06537	4.0
85.10192	21.6
91.05488	30.3
93.06458	1.6
93.07048	50.0
95.04974	19.5
95.08614	81.6
97.06546	6.1
97.10137	12.0
98.21518	5.1
99.08102	2.3
103.05482	3.2
104.15482	1.8
105.04553	2.0
105.07030	20.3
107.04961	32.4
107.08601	21.4
109.06522	6.8
109.10159	18.4
109.64272	2.1
111.08106	7.3
111.11737	4.0
112.51566	2.2
115.24002	1.7
117.07021	17.7
118.57313	2.0
119.05057	2.7
119.08595	10.4
121.06513	11.6
121.10142	13.0
123.04456	4.9
123.08069	17.0
123.11735	7.1
128.06174	2.1
129.07057	3.9
131.04890	3.4
131.08569	14.6
133.06500	2.1
133.10135	13.9
135.08110	3.3
135.11694	32.6
141.07005	7.5
143.08572	4.0
145.06519	17.5
145.10114	12.1
149.13281	14.4
159.11726	18.5
161.09612	3.3
163.11195	13.4
169.10153	8.5
177.12772	15.5
181.12245	4.8
183.11771	2.3
187.11201	22.2
195.13795	12.1
205.12350	10.8
223.13321	17.2
227.12790	27.6
239.23796	6.0
241.14397	21.3
257.26437	2.2
279.12851	4.6
279.15945	96.5
288.69827	2.2
297.17014	11.1
313.27356	4.0
329.80457	2.0
495.67526	2.3
517.38733	4.3
535.40082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82709	1.4
53.03954	8.8
55.01863	3.6
55.05512	26.0
57.03427	5.9
57.07076	54.1
60.25531	1.9
65.03934	5.0
67.05504	57.1
69.03442	3.4
69.07071	19.1
71.04990	2.8
71.08633	37.4
71.51506	1.4
71.51857	2.3
71.69764	1.4
79.05500	31.1
81.03417	23.8
81.06590	2.7
81.07056	55.8
83.04985	6.3
83.08620	24.1
85.06535	2.0
85.10188	19.6
87.07375	1.5
87.70552	1.9
91.05472	22.3
93.07038	26.2
95.04961	27.3
95.08611	46.9
97.06528	4.7
97.10174	13.3
103.05486	1.9
105.07046	11.9
107.04375	1.4
107.04951	33.9
107.05631	2.5
107.08601	15.9
109.02843	1.7
109.06514	4.8
109.10155	21.8
111.11709	2.9
117.07008	12.8
119.08585	6.3
121.06516	9.3
121.10147	6.5
123.08054	5.1
123.11682	5.6
129.06970	1.6
131.08578	12.0
133.10153	9.6
135.08063	2.4
135.11690	8.0
137.13240	2.5
141.07028	3.2
145.06477	4.2
145.10110	2.8
146.41168	1.6
149.13278	4.2
151.11232	2.9
159.11716	11.6
169.10124	4.3
177.12738	5.1
187.11221	8.5
195.13867	3.1
205.12242	13.9
217.72644	1.8
223.13283	62.1
239.23813	8.2
241.14410	3.8
260.07678	1.6
261.12216	1.6
261.14923	2.4
279.15930	30.5
297.17062	3.3
313.27277	19.2
328.59631	1.6
450.50021	1.5
517.38831	7.9
526.43213	1.8
529.25702	1.6
535.39935	100.0
536.40405	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	534.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03951	1.4
55.01863	0.4
55.05518	8.6
56.04790	0.3
56.05043	4.5
57.07079	4.1
58.02956	0.3
58.06594	0.8
60.04533	3.4
65.03963	1.4
67.04246	0.5
67.05511	18.6
68.05026	1.8
68.05832	0.8
69.07075	11.2
69.15504	1.2
69.15926	1.3
69.16204	0.3
70.06596	2.2
71.04982	0.3
71.08638	2.0
77.03909	0.4
79.05502	15.1
80.05030	3.7
80.05800	0.4
81.03416	0.4
81.05797	1.8
81.07064	16.6
82.06588	8.0
82.07388	1.1
83.04986	0.8
83.08153	0.4
83.08626	6.6
84.08141	0.5
85.06548	0.4
85.10180	0.9
86.06074	0.5
91.05489	11.1
92.05830	0.2
93.05802	0.4
93.07052	13.2
94.06576	19.5
95.04982	1.5
95.06746	0.5
95.07357	9.7
95.08614	11.0
96.08138	4.6
96.08839	0.5
96.87102	0.3
97.06533	1.0
97.10178	3.2
98.06055	0.6
100.07606	0.4
102.09184	0.5
102.16147	0.3
105.04534	0.6
105.07039	6.8
106.06560	0.4
106.07298	0.3
107.07362	0.7
107.08608	6.5
108.08136	3.3
108.08860	0.5
109.06551	0.3
109.10160	4.2
110.09692	0.4
110.10473	0.4
111.08087	0.4
111.11743	1.4
116.81070	0.2
117.07030	0.7
119.08585	5.7
121.08871	0.8
121.10155	7.1
122.09693	2.6
122.10487	0.6
123.11761	1.7
124.11201	0.3
131.08549	0.6
133.10147	4.1
134.09631	0.4
135.10532	0.5
135.11707	4.5
136.11198	0.9
137.13246	0.8
147.11713	1.4
149.13275	2.5
150.13605	0.5
151.14853	0.7
159.11652	0.6
161.13306	1.0
163.14848	0.6
175.14738	0.4
177.16368	0.3
179.29323	0.3
189.16486	0.3
191.18037	0.8
195.13867	0.4
219.21069	0.9
233.22675	4.8
234.22231	0.6
237.22153	0.4
245.22662	3.8
245.33394	0.3
250.25320	10.8
254.24815	0.8
256.26398	0.8
260.23685	0.3
261.83398	0.3
262.25317	100.0
263.23605	0.8
263.25735	1.0
265.25296	0.5
266.25583	0.3
267.92902	0.3
272.25900	5.2
280.26373	11.3
338.30658	0.3
501.95688	0.3
504.48019	2.8
516.47778	7.2
534.42065	5.9
534.48938	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	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41376	0.2
55.05506	0.2
56.05040	0.6
58.06344	0.2
58.06609	0.3
60.08167	6.8
67.05527	0.4
70.28034	0.2
71.07379	3.2
79.05493	0.7
81.07043	0.4
86.09709	33.2
91.05473	0.4
93.07044	0.3
95.04983	0.2
95.08577	0.2
98.98459	3.3
103.41688	0.1
104.10747	3.4
105.07041	0.3
107.08631	0.2
119.08560	0.3
119.18498	0.1
123.15086	0.1
125.00010	23.7
132.32664	0.2
166.68738	0.3
184.07347	100.0
185.07593	0.3
258.10938	0.3
324.18152	0.2
498.29532	0.5
516.23730	0.3
516.30914	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61623	0.5
55.01896	0.4
55.05505	1.0
56.05033	1.1
58.06607	1.8
59.07371	0.5
60.08169	18.0
65.84029	0.5
67.05508	2.3
69.07066	1.5
70.68617	1.8
71.07375	7.9
71.59148	0.6
79.05508	2.1
81.07064	2.1
83.04986	0.8
86.09711	50.9
91.05486	2.1
93.07041	2.1
95.04995	0.9
95.08610	1.1
98.98478	4.6
104.10748	100.0
105.07034	1.8
107.08593	0.6
109.10172	0.7
117.06985	0.7
119.08592	1.0
125.00012	29.3
133.10143	0.7
140.11462	0.5
166.88971	0.6
184.07353	93.3
258.10974	1.4
264.00186	0.5
386.17081	0.5
498.29761	6.9
516.30878	34.6
535.74188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42029	0.4
51.18951	0.5
55.01864	0.6
56.15554	0.5
56.74289	0.5
58.42385	0.5
62.34012	0.5
65.03933	0.9
68.99774	0.8
70.06602	5.4
71.06922	0.9
71.50573	0.7
74.02462	3.2
81.07045	0.6
81.25645	0.4
83.04981	0.6
84.08156	0.6
85.02908	1.1
86.09723	0.8
87.05596	3.0
95.01299	0.5
95.04964	0.5
100.36263	0.5
106.72443	0.5
111.04442	3.0
113.66208	0.5
116.03458	0.8
121.06464	0.9
123.04443	2.1
133.06096	10.8
134.98604	0.5
137.05972	0.7
139.03914	100.0
151.03925	2.3
153.05502	0.8
155.08583	1.4
157.10202	0.8
159.08081	1.2
161.06012	1.2
163.03923	1.6
163.97461	0.5
169.04941	0.8
173.06000	0.9
177.05489	3.1
178.05846	0.9
181.04930	0.9
183.06552	1.1
183.08063	0.9
185.09718	1.6
187.07582	2.8
189.05492	2.2
197.09650	1.1
199.07657	0.5
201.09106	3.9
203.10709	9.0
209.09715	0.5
213.09123	1.3
215.10658	0.7
219.10187	1.7
225.09175	2.4
227.10648	0.9
231.10201	3.2
233.11832	1.5
243.10219	0.9
245.11745	1.5
351.12372	1.5
353.13840	2.1
369.13330	1.8
371.15125	1.0
401.15820	1.2
462.82513	0.5
533.22272	2.4
537.63135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01882	6.7
55.05520	42.6
57.03428	14.3
57.07062	7.3
60.10748	4.9
65.03944	4.3
67.05177	7.7
67.05512	100.0
67.25248	4.0
68.05843	8.8
69.07088	29.9
69.90606	4.3
71.05003	5.2
71.43044	8.3
79.05135	5.2
79.05506	60.5
80.05797	6.9
81.07068	97.5
82.07415	7.5
82.41817	4.4
83.04972	8.5
83.08612	20.0
85.06544	8.9
91.05479	53.6
93.07048	72.1
94.07401	8.8
95.08607	56.8
95.49730	5.8
97.06534	8.2
97.10161	14.3
105.07049	44.3
106.07368	10.0
107.08611	43.0
108.08917	7.9
109.10160	36.0
110.10491	6.0
111.08057	5.4
117.07024	21.8
118.07346	5.7
119.08556	38.8
120.08914	10.4
121.10151	46.8
123.08121	5.3
123.11719	9.8
125.09645	6.3
129.07011	4.8
131.08589	37.4
132.08920	12.4
133.10129	26.4
134.10487	9.5
135.11716	31.5
136.12004	7.2
137.13283	5.2
143.08571	11.8
144.08937	5.7
145.10159	29.1
146.10472	11.4
147.11691	20.0
148.11993	9.3
149.13237	22.9
151.11180	6.1
155.08568	10.1
157.10143	7.1
158.10524	8.0
159.11694	30.3
160.12042	6.4
161.13274	13.6
163.14815	11.5
169.10146	5.7
171.11737	8.6
172.11974	5.2
173.13304	21.3
174.13763	5.5
175.14807	5.4
183.11612	6.7
185.13297	6.8
187.14803	10.5
188.15092	8.1
197.13260	5.9
241.19583	5.3
242.20012	5.2
243.21091	19.1
246.19279	4.2
255.15926	7.5
256.16254	7.2
259.20621	6.7
260.20959	10.7
261.22195	82.1
279.23068	6.2
335.25931	9.0
353.26895	22.4
372.56036	5.1
412.33160	6.7
422.31485	19.9
440.32553	17.5
458.33109	7.1
486.36365	7.4
492.66934	5.0
504.37570	16.9
514.36237	68.6
532.37067	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.05517	14.5
57.03438	9.8
57.07078	5.5
59.04407	3.8
61.02932	5.7
67.05509	94.9
69.07069	18.4
70.75989	11.0
79.05505	48.6
81.07060	89.0
83.08604	6.0
85.02919	8.8
85.06558	8.1
87.74261	3.7
89.63934	3.5
91.05479	32.5
93.07054	57.0
95.04929	6.5
95.08611	66.1
97.02850	5.5
99.08096	5.2
105.07043	22.0
107.08603	38.3
109.10169	31.3
117.07026	5.7
117.21745	4.4
119.08583	19.4
121.10143	40.5
123.11706	20.0
131.07742	4.7
131.08542	21.5
133.10162	20.9
135.11702	32.0
137.13251	8.5
145.10161	12.9
147.11707	15.1
149.13254	27.6
151.11157	4.7
159.11710	13.9
161.13257	7.9
163.14819	13.4
173.13281	15.7
177.16328	5.2
187.14899	7.5
234.09332	3.8
243.21101	33.6
261.22134	100.0
279.23145	6.0
335.25729	21.3
353.26920	27.3
369.90695	4.3
466.07056	4.2
514.16815	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	531.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88021	2.6
52.93610	2.1
53.03944	8.4
55.01862	6.7
55.05511	35.7
55.55738	2.4
56.05859	4.0
57.03440	16.6
57.07068	11.4
61.66768	2.6
63.42569	2.2
65.03942	6.7
67.05511	100.0
69.07073	33.5
69.29620	8.5
69.30043	10.4
70.07425	2.5
71.04977	7.5
71.08643	5.2
76.79535	2.1
79.05498	76.4
80.05810	4.8
81.03421	5.0
81.07063	86.9
82.07390	3.2
83.04974	7.2
83.08620	22.7
84.96540	2.4
85.06544	6.6
87.04486	3.5
91.05492	62.5
93.07047	77.0
95.04971	6.9
95.08611	53.8
96.08908	5.3
97.06513	11.7
97.10191	16.5
99.08094	3.4
105.07038	59.7
107.08602	56.7
108.08968	3.2
109.06510	2.9
109.10155	28.1
111.08083	6.5
111.11706	3.2
115.05471	2.9
117.07031	23.8
119.07195	2.1
119.07809	3.6
119.08588	54.4
120.08843	2.2
121.06509	5.7
121.10162	28.3
123.08045	4.3
123.11736	5.1
125.09660	5.6
128.06207	3.5
129.07001	18.0
130.07776	3.9
131.08582	47.7
133.09149	3.0
133.10138	52.2
135.08043	3.2
135.11703	36.2
137.09726	3.4
141.07053	2.6
142.07782	4.9
143.08560	21.3
145.09061	4.2
145.10136	49.5
147.11711	31.6
149.09630	5.3
149.13257	13.7
151.11232	3.2
155.08556	11.6
157.10161	25.6
159.11674	35.3
161.13263	21.6
163.11151	6.6
163.14833	3.6
167.08614	3.4
169.10147	16.2
169.12169	2.7
169.76657	2.4
171.11678	26.5
173.13277	25.5
175.14857	9.9
177.12735	2.4
181.10187	3.8
181.12233	5.7
183.11673	15.2
185.13315	17.8
187.14862	11.8
193.12143	2.3
195.11719	5.4
197.13309	13.4
199.14787	12.6
201.16371	5.7
209.13257	8.6
211.14839	5.1
213.16368	5.6
225.16438	3.3
227.18027	2.9
237.16333	2.8
239.18155	3.6
241.19514	17.9
253.14398	6.6
255.15901	24.6
257.18961	3.1
259.20563	38.0
261.22119	3.3
283.20532	3.5
285.22028	4.7
295.20605	2.9
299.23871	3.7
309.22058	2.4
313.21930	2.9
315.23019	2.8
327.23285	4.2
329.24890	3.3
333.24417	11.9
367.64780	2.7
399.11627	2.3
401.35303	5.4
403.29877	7.7
409.31241	4.5
411.32596	9.5
421.30875	20.1
439.32019	18.1
439.37271	4.3
457.33038	20.5
457.38580	3.2
485.36212	7.9
495.34427	6.8
501.35629	4.2
503.37375	30.2
513.28082	3.7
513.35675	73.1
531.37579	43.7
532.37225	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	531.3685
Annotation	CHEBI:66781
Peak:m/z	Relative Intensity
50.68061	3.2
51.50273	3.3
53.03945	7.8
53.92974	3.1
55.01872	6.5
55.05272	3.6
55.05515	46.2
57.03441	19.4
57.07069	9.4
63.46099	3.5
65.03939	6.4
67.05511	89.7
68.05836	3.5
69.07073	31.6
69.35540	21.2
69.35948	6.2
71.04996	5.8
77.03917	5.9
79.05497	66.3
80.05838	3.9
81.03394	9.7
81.06590	5.4
81.07057	86.5
83.04979	8.3
83.08632	19.2
85.06543	7.6
87.04466	11.3
87.64352	2.9
91.04911	3.6
91.05486	66.6
93.06487	5.0
93.07045	79.6
94.07387	3.1
95.04953	9.0
95.08611	57.4
97.06512	11.9
97.10186	18.6
99.08102	3.8
105.07037	63.0
107.04943	5.0
107.07864	4.7
107.08592	48.9
109.06553	5.4
109.10153	31.6
111.08067	5.8
115.05407	4.2
117.07037	29.7
119.07803	5.2
119.08586	60.2
121.06508	5.5
121.10117	25.4
123.08033	4.9
123.11664	5.4
125.09634	7.5
128.06204	4.9
129.07050	20.4
131.08568	53.9
133.10130	53.5
135.11685	31.5
137.09608	4.1
141.06963	6.3
142.07761	4.3
143.08569	33.6
144.09183	4.1
145.10136	55.9
147.08067	4.9
147.10663	4.4
147.11722	37.6
149.13252	14.2
151.11211	6.0
155.08524	12.5
157.10144	29.0
159.11714	31.7
161.09589	5.2
161.13290	22.3
163.11172	6.8
163.14941	3.5
168.09285	5.1
169.10138	16.1
171.11737	27.7
173.13289	26.7
175.14835	8.6
179.14319	4.8
181.10109	5.9
181.12257	5.4
183.11760	16.1
185.13277	23.2
187.11119	3.5
187.14835	12.7
189.12793	5.2
193.12094	4.1
195.11650	4.4
197.13237	16.1
199.14822	10.3
201.12718	3.5
201.16223	4.6
207.11765	5.0
209.13258	9.1
211.14821	9.1
213.16441	6.7
221.13281	3.7
223.14774	5.5
227.12753	3.9
231.21149	4.7
237.16653	3.5
241.19554	13.4
253.14340	9.3
255.15863	19.4
259.20630	34.0
271.20441	3.7
275.20288	4.7
277.21616	4.4
285.21997	5.7
287.23691	4.3
301.21710	5.0
305.56796	3.6
309.22119	3.3
315.23294	4.1
332.29288	3.3
333.24261	14.5
341.24808	5.4
353.24503	5.1
378.00357	3.2
393.31802	5.5
395.67566	3.2
403.30096	8.7
409.31036	8.0
411.32764	20.4
421.31024	22.8
439.31952	22.6
457.33093	25.4
485.36200	8.4
495.34857	6.2
503.37326	36.3
513.35779	100.0
514.36237	4.9
531.37292	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	531.3683
Annotation	CHEBI:66781
Peak:m/z	Relative Intensity
51.50660	2.5
53.03941	4.7
55.05268	3.3
55.05516	28.8
57.03434	12.0
65.03945	6.0
67.05507	79.1
69.03440	2.9
69.07070	20.1
69.30970	20.0
69.31373	7.2
71.04996	7.1
79.05492	61.9
81.07063	72.0
83.04997	8.1
83.08639	13.9
85.06547	5.4
91.05489	56.9
93.07056	67.9
95.04982	5.1
95.08614	44.5
96.33967	3.3
97.06536	7.2
97.10152	10.0
105.07039	57.9
107.08608	39.3
109.06528	4.0
109.10174	22.8
111.08070	3.9
111.27139	3.1
115.05443	3.6
117.07024	28.7
119.08590	58.0
121.10128	20.1
123.08089	6.8
123.11690	8.1
125.09635	5.9
129.06169	2.9
129.06981	18.1
131.08586	38.3
133.10144	42.2
135.08109	4.6
135.11696	39.9
137.09572	4.3
137.51054	2.9
139.11145	3.8
140.61078	2.9
141.06989	8.5
142.07780	5.5
143.08569	31.5
145.09067	3.6
145.10138	43.9
147.11697	33.1
149.13298	9.4
155.08588	10.2
157.10107	24.5
159.11700	34.0
161.09572	5.3
161.13263	29.3
163.11200	4.1
163.14885	3.9
167.08589	5.1
169.10172	16.2
171.11693	31.8
173.13280	25.5
175.14830	9.0
181.10266	4.0
181.12206	6.8
183.11667	15.1
185.13284	24.5
185.55637	2.8
187.14830	15.1
189.12752	6.2
195.11691	7.9
197.13269	9.7
199.14854	15.5
201.16455	4.2
203.14754	3.5
209.13234	8.6
211.14856	6.4
213.16379	9.1
221.13257	3.2
223.14894	6.1
241.19533	15.7
253.14380	9.1
255.15894	24.4
259.20590	41.3
279.21121	3.1
285.22125	6.9
297.22229	3.9
299.23660	4.3
311.23486	4.5
313.21487	3.5
315.23224	4.0
322.17218	3.7
333.24445	15.7
393.31793	5.1
403.30017	9.0
411.32788	15.8
421.31204	28.3
429.33661	6.9
439.32251	24.6
457.33099	19.6
485.36072	6.8
495.34302	13.7
501.35617	13.3
503.37347	32.4
504.86221	3.5
513.35779	100.0
531.36926	55.4
555.58521	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	531.3685
Annotation	CHEBI:66781
Peak:m/z	Relative Intensity
53.03932	6.5
55.01861	7.1
55.05512	36.3
57.03439	17.2
57.07068	5.9
65.03938	7.7
67.05508	98.5
69.03416	2.4
69.07072	33.3
71.04980	8.2
71.08622	3.0
78.54660	2.1
79.05498	72.1
81.03405	6.2
81.06596	4.9
81.07060	83.9
81.20625	2.4
83.04957	8.5
83.08629	16.8
85.06519	5.5
87.38661	2.0
91.05481	66.2
93.06481	4.3
93.07046	74.2
95.04968	10.3
95.08060	4.1
95.08614	50.9
97.06534	11.9
97.10164	14.6
99.08102	6.8
99.78258	2.5
105.07036	72.9
107.04979	4.6
107.08602	48.0
109.06526	5.3
109.10152	31.2
111.08045	3.4
115.05476	2.6
117.07032	27.5
119.08584	59.1
121.06470	3.7
121.10160	25.7
122.45264	2.1
123.08089	7.2
123.11678	8.4
125.09623	6.1
127.07572	3.1
128.06186	4.4
128.42567	2.0
129.07013	17.2
131.08580	48.3
133.10135	48.2
135.08067	3.2
135.11708	37.3
135.32179	2.3
137.09657	3.1
138.70789	2.1
141.06992	5.8
142.07776	3.9
143.08546	26.4
145.10130	51.6
147.08078	2.7
147.11688	33.1
148.87617	2.3
149.09647	5.1
149.13252	8.9
151.11183	5.4
155.08597	11.5
156.09375	2.9
157.10135	27.0
159.11699	40.1
161.09575	4.9
161.13263	23.1
163.11160	6.8
163.14926	2.7
167.08615	3.3
169.10146	15.5
171.11688	30.1
173.13266	25.5
175.11176	3.6
175.14821	10.4
179.14333	3.8
181.10124	8.2
181.12236	5.3
183.11751	15.4
185.11794	3.2
185.13271	21.3
187.14786	13.4
189.11140	2.9
189.12759	4.2
191.63303	2.2
195.11644	8.9
197.13300	12.3
198.13844	2.5
199.13275	3.2
199.14833	16.6
201.16434	4.6
209.13287	5.0
211.14876	6.6
213.16429	5.6
219.17282	2.3
221.13293	3.9
223.14876	7.2
225.16362	3.1
227.16245	2.7
235.14807	3.2
239.18074	2.6
240.38803	2.7
241.19547	14.6
253.14270	12.2
255.15916	20.7
257.19000	3.5
259.20612	39.7
261.22223	2.8
269.19098	3.2
275.19873	3.6
277.21664	3.8
285.22073	6.4
295.20285	2.7
297.22018	4.2
309.22647	2.5
315.23090	3.6
327.23178	6.2
333.24252	13.0
341.24585	2.9
393.16318	2.6
393.31512	5.1
403.30161	10.8
409.31039	6.2
411.32465	9.2
421.30923	30.3
427.32187	4.1
429.33688	4.0
439.32010	20.9
457.33191	20.8
483.34781	3.2
485.36145	7.6
495.34476	11.0
501.35535	6.9
503.37381	31.1
513.35809	100.0
514.36188	4.4
531.36829	65.9
531.48621	3.0
531.71600	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	CHEBI:66781
Peak:m/z	Relative Intensity
53.03941	9.1
55.01874	7.6
55.05265	3.5
55.05513	41.1
57.03442	16.8
57.07071	6.5
60.14898	1.8
65.03935	4.3
67.05509	91.2
69.07072	29.4
69.30840	3.1
69.31180	17.5
70.14048	1.8
71.04996	10.2
78.95045	2.0
79.05496	67.1
81.03410	5.5
81.07063	76.6
83.05009	10.8
83.08631	19.7
85.06544	8.2
91.05488	69.7
93.07050	75.8
95.05004	4.8
95.08613	46.6
97.06528	7.6
97.10181	16.8
98.15354	1.7
98.20824	4.4
103.05464	2.9
105.07039	58.0
107.08603	52.4
109.06507	6.0
109.10156	28.4
111.08125	4.8
115.05452	3.0
116.69991	1.8
117.07034	23.4
119.08588	51.2
121.10153	22.1
123.08057	5.3
123.11736	6.5
125.09641	9.0
127.07534	1.9
128.06221	4.3
129.07021	19.4
130.07790	4.4
131.08569	48.7
133.10139	45.8
135.08070	6.1
135.11694	37.5
137.09650	3.0
141.06982	4.3
142.07819	6.0
143.08560	27.4
145.10129	46.2
145.11284	2.5
147.08090	3.4
147.11702	38.3
149.09567	4.2
149.13268	12.6
151.11198	8.6
155.08557	9.3
157.10147	28.8
159.11702	37.2
161.09518	2.2
161.13260	24.8
163.11163	5.8
163.14813	3.5
167.08548	4.2
168.09305	2.8
169.10126	21.3
171.11710	30.8
173.09729	3.0
173.13261	26.8
175.11191	2.8
175.14848	12.4
181.10156	4.4
181.12259	8.4
183.11667	16.5
185.13266	24.5
187.14861	14.3
189.12691	3.6
189.16367	2.6
195.11678	6.0
197.13272	10.1
199.13297	2.3
199.14859	15.0
201.16388	5.6
209.13354	5.5
211.14839	9.6
213.16409	8.3
219.17641	2.2
221.13287	2.4
223.14822	4.0
225.16443	4.2
227.12766	5.2
231.21185	3.2
235.14825	3.4
239.18141	2.7
241.19516	17.5
243.21028	5.0
249.18683	2.2
253.14345	13.9
255.15865	21.1
259.20563	39.2
261.22208	8.1
267.20822	1.9
271.15424	2.5
275.20297	3.6
277.21469	2.2
279.21045	2.9
281.84375	1.9
283.20517	2.9
285.22211	3.0
287.20239	2.2
287.23660	5.4
289.21823	3.1
297.22351	2.7
299.23688	4.3
309.22235	2.8
313.21732	2.7
313.25153	3.1
315.23291	6.1
317.24893	2.6
327.23108	5.2
333.03680	2.0
333.24295	14.1
337.20062	2.2
339.23300	2.4
341.24612	2.7
342.08588	1.8
349.23904	2.0
355.26328	2.4
393.31503	3.0
403.30127	6.5
409.31021	5.5
411.32706	6.6
421.31131	22.3
427.32059	2.3
429.34036	4.3
439.32086	24.5
457.33163	19.1
485.36246	8.3
495.35037	10.0
501.35669	6.3
503.37402	25.8
513.35846	100.0
514.35571	3.4
531.36816	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
54.43205	2.1
55.01868	7.6
55.05518	42.4
56.75997	1.8
57.03445	13.7
57.07069	7.7
65.03941	7.1
65.88985	1.8
67.05511	100.0
68.05828	4.0
69.03429	2.7
69.07077	35.5
71.01321	2.4
71.04990	7.9
71.51882	2.6
79.05501	80.8
80.05874	2.8
81.03425	7.3
81.07064	92.9
82.07394	2.5
83.04985	7.9
83.08629	24.2
85.06530	6.9
91.05490	73.8
93.07053	86.1
94.07378	4.6
95.04973	9.8
95.08617	52.9
97.06536	12.0
97.10179	15.4
98.35851	2.4
99.08107	4.9
103.05508	2.5
105.07043	63.0
107.05010	2.5
107.08604	49.0
108.08893	2.9
109.06544	4.7
109.10172	30.5
111.08078	5.0
115.05486	2.6
117.07027	26.6
119.08593	57.2
121.06475	2.8
121.10155	25.4
123.08057	5.0
123.11716	8.4
125.09613	3.6
128.06194	4.2
129.07027	14.6
131.07608	3.3
131.08583	52.2
133.06473	2.4
133.10149	47.3
134.10542	2.3
135.08092	5.0
135.11717	35.5
137.09442	2.1
141.07007	4.6
142.07800	5.3
143.08595	26.7
145.10141	51.7
146.10506	2.5
147.11713	31.4
149.13255	12.2
149.73997	2.0
151.11197	6.3
155.08578	14.6
157.10149	29.9
158.10892	3.0
159.11708	37.9
159.12959	1.3
160.12077	3.0
161.09576	4.4
161.13269	25.9
163.11086	4.2
163.14830	5.7
165.12874	2.8
167.08575	2.7
169.10152	17.7
171.11700	28.0
171.46570	2.1
173.13293	26.1
175.14870	12.0
177.12654	2.6
181.10139	6.5
181.12190	6.2
182.10767	2.9
183.11700	13.9
185.13263	25.3
187.14868	12.8
189.12804	2.5
189.16510	2.6
193.10553	2.7
193.12219	2.4
195.11702	7.4
195.13710	4.1
195.23778	2.3
197.13261	13.3
199.14853	14.1
201.16444	5.7
209.13336	6.9
211.14874	8.1
213.16451	3.2
223.14795	5.7
225.16341	5.1
237.16501	3.0
241.19524	18.1
249.16457	2.3
253.14232	4.8
255.15833	23.6
257.19034	3.0
259.20587	39.3
275.57877	2.2
285.22241	4.2
297.22101	4.4
299.23752	2.8
301.21790	4.0
309.22305	3.1
311.23666	2.6
313.21768	2.9
315.23184	3.7
327.23251	3.1
329.24710	3.7
333.24301	13.8
356.62637	2.2
393.31824	3.0
403.29974	5.2
409.30856	4.3
411.32654	8.1
421.30939	23.6
429.33499	4.3
439.31821	19.6
457.32950	15.6
485.36292	5.9
495.34561	8.4
501.35385	6.5
503.37250	29.1
513.35730	87.3
531.39233	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
53.55422	2.5
55.01855	7.2
55.05510	40.5
57.03440	14.9
57.07077	4.8
61.50191	2.3
65.03936	5.2
67.05511	85.1
69.07072	29.2
71.04978	7.9
71.52089	3.5
79.05499	62.3
81.03407	5.8
81.07063	68.8
83.04960	5.2
83.08627	21.7
85.06545	5.7
91.05484	62.2
92.05781	2.8
93.07052	67.8
95.04955	6.3
95.08615	48.6
97.06530	11.1
97.10178	16.0
105.07039	59.2
107.04906	3.3
107.08606	47.9
108.44204	2.5
109.06518	3.5
109.10158	24.1
111.08068	6.4
117.07020	25.4
119.08586	52.8
121.06512	3.5
121.10133	26.0
123.08056	4.2
123.11688	4.9
125.09629	5.8
128.06242	5.2
129.07024	19.3
130.07838	2.6
131.08580	48.7
133.10141	40.7
135.08069	6.3
135.11694	32.3
141.06955	5.3
142.07849	3.9
143.08591	27.3
145.10138	49.3
147.08043	4.6
147.11708	34.5
149.09625	3.1
149.13266	8.8
151.11189	4.3
155.08574	14.8
156.09175	3.1
157.10115	25.8
159.11693	30.0
161.09604	4.8
161.13254	23.8
163.11169	3.7
167.08484	3.6
169.10135	16.4
171.11697	25.2
173.09601	3.1
173.13251	21.9
175.11177	2.9
175.14818	10.8
181.10133	6.9
181.12199	5.4
183.11720	15.3
185.13261	21.8
187.14877	15.9
189.12807	3.8
195.11681	9.2
197.13310	13.6
199.14890	13.1
201.16386	3.9
207.11748	3.4
209.13197	8.3
211.14836	6.8
213.16464	3.4
221.13260	2.8
223.14752	4.6
225.16393	3.2
235.14699	2.7
237.16374	4.3
241.19525	17.1
251.18118	3.3
253.14212	6.4
255.15929	20.6
257.19022	3.6
259.20636	30.4
261.22003	3.2
268.17706	2.8
271.20392	4.6
275.20090	3.2
277.21725	3.3
279.32620	2.2
280.14456	2.4
283.20325	2.6
285.21948	5.3
287.20007	2.4
287.23654	5.7
295.20712	2.6
297.22000	5.0
299.23709	3.3
315.23190	4.9
323.23752	2.8
327.23138	5.3
333.24335	12.6
393.31479	3.5
403.29782	9.0
409.31140	6.4
411.32501	9.0
421.30954	28.2
429.33621	3.1
439.32092	25.4
457.33322	20.2
485.36215	6.5
495.34717	6.7
501.35559	6.2
503.37430	31.4
513.35828	100.0
514.35944	3.2
531.36804	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.1
60.42034	4.3
70.06590	7.6
71.04998	20.3
71.51512	3.9
79.05483	6.1
81.07050	9.3
84.08158	6.9
85.02906	21.1
87.65232	4.6
91.05479	11.2
93.07024	7.4
102.05540	5.7
121.06557	7.0
123.04437	100.0
129.05496	5.3
129.06998	4.4
130.05022	7.0
131.04913	5.5
134.04512	5.1
139.03902	18.9
147.04488	6.3
151.03903	8.1
161.05930	5.5
163.03978	12.5
165.01859	21.3
165.05540	7.6
183.02852	13.1
187.03961	5.6
203.10861	6.0
207.10144	8.7
233.08116	17.8
243.37361	5.1
249.07608	7.3
266.10266	5.7
271.05954	4.7
299.05331	6.2
317.06573	12.9
339.12354	25.6
367.12036	24.1
385.12820	19.8
445.26062	5.3
458.02856	4.6
472.98495	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	531.1865
Annotation	Caohuoside C
Peak:m/z	Relative Intensity
53.03939	7.8
55.01878	5.5
55.05514	15.6
57.03452	19.6
61.02893	3.3
67.05506	23.9
69.03427	9.7
69.07059	8.7
71.04996	93.3
71.51434	4.6
71.51904	5.7
72.73705	3.0
79.05505	17.6
81.03417	8.8
81.07074	25.5
83.04971	9.5
83.08602	4.0
85.02908	87.6
88.07841	3.3
91.05476	14.4
93.07034	13.1
95.04961	7.5
95.08620	8.7
97.02858	4.7
97.10218	4.0
99.04488	5.4
105.07022	12.2
107.04948	8.7
107.08567	8.2
109.10143	6.7
111.23380	3.0
115.05414	3.7
119.04951	8.8
119.08572	10.0
121.06584	3.9
121.10144	6.3
123.04443	100.0
123.08054	5.8
129.05502	20.8
129.07050	3.9
131.08592	7.0
135.04407	9.9
139.03908	14.9
145.10130	7.4
147.04424	11.6
147.11681	5.5
151.03967	5.8
157.10159	4.1
159.11731	5.2
161.05943	4.8
161.09682	3.7
163.03958	4.6
165.01857	31.5
179.03371	10.1
183.02922	11.9
189.05522	4.3
193.12299	4.7
197.06004	4.0
203.03365	5.3
207.02969	5.8
209.13235	3.8
211.13330	7.0
231.02896	4.4
233.08096	39.1
243.06657	6.2
257.04401	8.4
271.06046	27.0
275.09210	19.6
286.03442	3.7
286.17349	4.0
295.05923	4.5
299.05551	15.7
299.09058	9.5
311.12744	11.6
317.06555	10.9
325.10693	3.2
339.12299	36.0
343.11835	25.3
361.12888	7.1
367.11722	16.8
381.12961	3.9
385.12875	89.6
449.15665	4.6
467.16736	3.7
471.21677	3.3
477.15591	6.5
485.18005	14.5
513.17340	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	531.1882
Annotation	Caohuoside C
Peak:m/z	Relative Intensity
51.02377	1.1
53.03954	1.7
55.01877	1.9
55.05506	2.9
57.03439	4.5
63.98262	0.8
67.05512	3.9
68.99799	2.0
69.03420	1.9
69.07079	1.1
70.06582	0.7
70.67394	1.4
71.01360	0.9
71.05000	25.1
73.02912	0.9
75.04488	1.1
79.05494	4.1
81.03421	1.7
81.07063	5.8
83.04981	1.8
83.08585	0.9
85.02911	27.6
85.49875	0.9
91.05505	4.3
93.07039	2.0
95.04974	2.7
95.08620	4.1
97.02876	1.7
97.06547	1.9
97.10204	1.0
105.03392	0.9
105.07016	1.8
107.08581	2.3
107.90619	0.8
109.10186	1.5
114.10290	3.3
115.05456	1.0
117.07061	0.8
119.04942	1.3
119.08585	1.3
121.02872	0.9
121.06531	0.9
123.04437	100.0
123.08028	2.0
129.05473	4.1
131.08604	1.0
133.06586	0.9
135.04396	1.6
137.02371	2.3
137.06027	1.2
139.03943	5.5
141.01903	1.2
147.04388	4.3
161.05997	1.2
163.03883	2.7
163.07535	2.0
165.01851	20.1
165.05490	2.4
167.07010	1.1
175.07597	0.8
177.01880	2.1
179.03398	2.2
183.02896	6.3
187.03848	1.8
189.05457	1.0
191.03407	2.6
201.09119	0.9
203.03500	0.9
204.18494	0.9
205.08617	2.0
207.10179	11.0
209.15417	0.8
215.07158	1.4
228.89749	0.8
231.06517	1.1
233.08118	13.4
237.47169	0.8
237.66153	1.0
243.06525	1.6
249.07465	5.3
251.09047	1.2
257.04486	0.9
269.08057	1.1
271.05988	3.6
293.08292	0.8
299.05447	3.3
311.12836	3.3
317.06528	0.8
325.06931	1.1
339.08377	1.3
339.12305	19.9
357.13083	1.3
367.11786	27.2
385.12863	40.2
477.60641	1.0
531.19696	1.8
531.29211	1.1
547.84613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1862
Annotation	Caohuoside C
Peak:m/z	Relative Intensity
53.03976	2.0
55.01869	3.2
55.05504	4.8
57.03436	5.9
65.03922	2.3
67.05509	5.3
68.99778	5.2
69.03430	2.9
70.75752	5.5
71.04993	23.6
72.36721	1.9
75.04461	2.1
79.05499	11.6
81.03420	4.5
81.07072	12.0
85.02916	25.0
91.05476	8.7
93.03394	2.3
93.07033	9.0
95.04966	4.8
95.08600	7.2
97.02901	3.4
105.06991	7.6
107.04932	2.9
107.08603	4.1
109.10155	2.9
111.04465	2.7
117.06998	4.0
119.04961	6.8
119.08559	4.1
121.06481	3.2
123.04435	100.0
123.08025	3.8
129.05455	4.6
131.08534	2.8
133.02859	2.4
133.10068	2.4
137.02336	4.2
139.03888	22.9
141.01845	5.1
145.10095	2.5
145.12064	2.2
147.04404	19.8
151.03902	3.7
153.01784	2.3
161.06000	3.1
163.03935	4.5
163.07613	3.9
165.01840	60.1
165.05499	2.8
165.09131	4.0
173.09631	2.4
175.03795	5.5
177.01857	4.3
177.05524	2.7
179.03397	6.9
183.02904	23.3
184.07352	2.3
187.03827	3.3
191.03383	6.0
195.02914	6.7
207.10153	8.5
233.08044	18.0
243.06471	4.0
249.07608	4.2
257.04459	3.1
269.08109	5.1
271.06046	8.4
297.07669	4.9
299.05554	19.3
311.12836	5.1
317.02908	2.8
317.06570	47.7
325.07062	3.6
339.12170	15.5
343.08118	4.2
343.11774	3.8
367.11841	19.6
385.12830	27.9
495.16888	4.5
510.52710	2.5
513.17700	2.4
531.29535	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	530.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01865	5.7
55.05519	26.0
57.03438	20.6
67.05512	41.1
69.03439	5.1
69.07076	8.8
69.24202	25.7
70.06585	3.0
71.04999	9.4
79.05501	43.8
80.73939	2.3
81.03423	93.0
81.07054	38.7
83.04995	24.0
83.08621	29.4
85.02911	32.9
85.06554	3.2
91.05483	49.3
92.30002	2.6
93.07053	26.7
95.04964	33.5
95.08600	14.9
97.02882	3.5
97.06521	9.4
97.10188	8.5
105.07048	32.4
107.04950	9.3
107.08602	12.5
109.06525	9.2
109.10122	4.9
111.08088	13.0
115.05429	3.5
117.07001	6.0
119.08588	26.2
121.10195	14.7
123.04430	3.3
123.11692	5.9
125.09670	3.0
129.07028	16.3
131.08595	18.0
133.06560	3.4
133.10147	11.8
142.07761	6.2
145.10146	3.8
147.11716	16.2
149.09628	7.8
157.10114	15.1
158.40858	2.8
158.72090	3.3
159.11745	3.1
165.12767	5.2
175.11198	24.7
193.12251	72.2
211.13300	100.0
267.15918	31.8
278.51340	3.0
285.16980	91.1
385.23367	3.6
420.61783	3.0
426.17798	3.0
459.27405	7.5
477.28369	17.3
495.29620	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01866	9.0
55.05520	34.8
57.03434	16.9
57.07076	4.3
59.20133	2.1
65.03930	4.1
67.05508	100.0
68.05843	2.3
69.03438	5.5
69.07068	22.6
69.97657	10.2
71.05000	6.9
73.02927	6.2
79.05495	52.1
80.05845	5.6
81.03438	14.3
81.07064	82.8
82.07403	3.8
83.04974	9.2
83.08624	21.6
85.02921	11.9
85.06554	6.8
87.04477	10.2
91.05489	36.5
92.05820	4.9
93.07049	53.6
94.07380	2.7
95.04983	8.2
95.08620	30.2
97.02918	3.1
97.06543	10.6
97.10165	16.6
99.08089	3.5
105.07037	20.8
106.07327	2.5
107.04965	4.3
107.08594	35.8
108.08916	2.4
109.06522	4.5
109.10169	41.0
111.08109	5.4
117.06986	14.6
119.08575	12.7
121.10134	14.6
123.08014	3.6
123.11726	4.5
125.09626	13.3
129.05508	5.2
129.06998	5.4
131.08582	10.9
133.10136	15.0
135.11700	14.6
137.09633	3.7
143.08578	3.3
145.10127	10.3
147.11670	6.5
149.13280	16.1
150.99165	2.2
153.12698	2.9
155.10727	4.8
155.39096	2.1
157.10217	3.5
159.11705	8.3
161.13376	2.9
163.11177	6.9
171.11995	2.3
173.11743	13.2
173.13145	3.6
177.12772	7.2
181.12399	2.7
191.10684	2.7
195.13768	15.8
199.13362	8.6
209.11707	6.4
218.82898	2.2
227.12805	3.6
229.14377	37.2
267.16168	3.3
269.17493	51.4
301.16449	8.4
356.52469	2.7
411.27579	3.1
423.27408	12.3
426.59637	2.5
438.34470	2.8
495.29544	15.8
513.30359	7.8
530.39404	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.24450	0.7
55.05493	0.6
56.14833	0.7
57.03406	0.7
57.23398	0.7
59.04980	1.1
59.17107	0.6
67.05491	2.2
68.99792	1.2
70.06553	0.7
70.81910	1.6
70.82291	1.2
71.04981	0.8
79.05479	2.0
80.46899	0.7
81.03431	1.3
81.07045	4.6
85.02883	1.7
87.04482	1.2
91.05457	1.8
93.07030	1.3
95.04943	1.6
95.08585	1.5
107.04925	0.8
109.02878	2.3
109.10148	2.6
119.04926	3.2
121.06514	1.5
123.04429	19.9
123.08031	0.8
125.02341	1.4
127.03924	1.6
131.08572	1.0
135.04410	2.4
136.59586	0.7
137.02281	0.8
139.03877	2.6
139.28026	0.8
147.04408	9.4
149.05971	2.2
151.03903	86.3
152.04317	0.9
161.94839	0.8
163.03891	2.8
163.07458	0.7
165.01810	1.9
165.05466	7.9
177.05455	5.2
177.09081	1.4
182.53484	0.7
191.10585	1.0
195.10236	1.2
201.09016	1.1
219.10162	100.0
220.10475	0.9
229.14340	2.6
233.08073	1.0
303.08609	4.2
317.06723	1.0
339.12024	0.9
342.99158	1.0
345.00760	0.9
367.11945	2.0
371.14908	10.3
385.12555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05501	1.5
57.03440	1.2
59.04987	1.4
61.01657	1.0
66.78436	1.0
67.05516	4.9
68.99789	1.7
69.03414	1.1
69.07059	1.2
70.06598	13.5
71.05001	2.3
74.54419	0.9
79.05489	2.0
81.03433	2.1
81.07066	5.6
83.05002	1.2
83.08628	1.1
85.02892	1.4
87.04471	4.6
91.05474	3.0
93.07039	2.3
95.04964	2.4
97.02933	1.5
97.10152	1.0
105.03407	0.9
105.07060	1.9
107.04964	2.1
107.08582	1.5
109.02879	2.3
109.10168	4.5
117.07046	1.1
119.04959	3.5
121.06547	1.9
123.04437	16.6
127.03971	1.2
133.10170	1.1
135.04407	2.4
139.03935	3.0
147.04413	9.5
149.06004	2.8
151.03912	96.6
152.04251	2.4
153.01906	1.6
153.79236	0.9
163.03894	4.2
165.05472	8.0
173.11818	2.5
177.05505	5.2
189.05595	1.0
191.03574	2.2
201.09146	1.3
219.10178	100.0
220.10562	5.1
229.14305	4.7
303.08624	4.1
342.11755	1.0
371.14871	10.3
372.15488	1.3
530.20526	2.7
530.27283	1.9
553.93909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59863	1.2
52.64912	1.2
53.03941	3.4
55.01886	3.1
55.05271	2.6
55.05515	37.1
55.40920	1.4
57.03439	14.8
57.07082	29.1
65.03935	3.6
67.05511	67.6
69.07073	49.5
71.04997	3.1
71.08640	17.3
75.04482	6.0
77.65010	1.4
79.05500	38.9
81.03432	2.3
81.07063	71.1
83.04974	2.7
83.08158	1.7
83.08629	32.2
85.06544	3.1
85.10204	6.7
91.04969	2.5
91.05484	25.8
93.06483	2.9
93.07050	48.6
95.04946	3.4
95.08612	57.4
97.06544	10.9
97.10176	25.5
105.07037	19.6
107.08606	28.5
107.35406	1.8
109.10175	28.3
109.10929	2.1
111.08098	7.1
111.11722	6.3
113.06034	1.9
113.09679	1.5
115.07586	1.4
117.07031	13.3
119.08588	13.6
121.10150	28.9
123.08044	2.2
123.11721	11.3
125.09637	4.0
125.13272	1.6
127.14767	1.3
129.07004	6.0
131.07034	3.3
131.08580	16.5
131.94827	1.3
133.10172	9.9
135.11699	21.2
137.13287	4.5
139.11211	3.9
141.06995	1.7
143.08556	6.8
143.10677	1.8
145.10138	12.2
147.11693	5.9
149.13252	20.4
153.12759	3.3
155.08592	4.7
157.10136	3.4
159.11700	9.7
161.13319	4.2
163.14821	4.4
167.14368	3.0
169.10095	2.9
171.11702	3.2
173.13293	3.5
175.14943	1.8
177.12688	1.4
177.16385	1.9
181.15919	2.7
183.11690	3.4
185.13255	3.1
187.14738	2.5
195.11853	2.5
195.13765	3.8
197.13246	1.5
199.14803	2.3
199.16913	1.6
201.16315	1.7
209.19040	1.9
213.16476	2.4
235.71236	1.4
237.22211	1.7
249.24622	1.4
261.22128	3.3
263.23755	1.6
301.24738	1.5
317.32089	2.7
332.97629	1.7
335.33066	6.8
345.31659	6.6
363.32645	24.7
399.34714	27.8
419.32980	3.7
430.98160	1.8
437.36276	25.1
438.98233	1.4
455.37424	31.7
511.39798	12.8
529.39032	100.0
530.39264	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	529.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01860	3.9
55.05515	49.6
57.03187	1.8
57.03437	18.4
57.07079	33.3
59.04988	1.9
65.03934	4.5
66.88918	1.5
67.05508	73.7
69.03440	1.8
69.07075	58.3
69.15219	2.9
69.15620	11.5
71.05006	6.9
71.08638	23.3
73.74749	1.2
75.04465	4.3
79.05497	50.7
79.65183	1.2
81.03414	1.3
81.07060	100.0
83.04965	6.4
83.08624	46.8
85.06561	3.9
85.10178	12.5
87.04430	1.3
91.05485	32.0
93.07050	58.5
95.04971	4.0
95.08610	80.9
97.06542	13.8
97.10174	26.9
99.08112	2.8
101.05991	1.8
105.04520	2.8
105.07034	23.9
107.07870	2.8
107.08596	38.4
109.06512	3.0
109.10163	32.0
111.08075	8.3
111.11684	6.8
113.06004	1.7
117.07019	11.1
118.91653	1.3
119.08597	13.9
121.09330	2.3
121.10158	30.0
121.49126	1.3
123.08128	1.6
123.11727	15.8
125.09662	7.7
125.13274	1.9
129.07036	6.5
129.09189	1.7
131.07045	2.4
131.08571	18.1
133.10118	14.2
135.08040	2.1
135.11696	23.8
137.13246	4.2
139.11166	5.3
143.08560	6.3
144.09090	1.3
145.10155	13.2
147.11673	6.5
149.13264	17.0
151.11221	1.3
151.14769	2.3
153.12733	3.3
157.10127	5.4
159.11697	12.9
161.13295	3.6
163.14799	7.3
165.16454	2.1
167.14334	3.6
169.10106	3.8
171.11723	5.1
171.13730	2.3
173.13263	4.4
175.14845	3.1
177.12720	2.1
177.16397	3.0
185.13292	2.7
185.15306	2.7
187.14833	4.5
191.17963	3.7
195.13884	3.2
195.17447	2.4
199.14899	2.0
199.16858	2.4
201.16354	1.7
205.19598	1.8
219.21033	1.9
223.20702	1.8
225.16577	2.0
233.22566	1.5
237.22139	1.8
243.21165	1.6
255.23201	1.4
261.22098	2.4
261.97119	1.2
275.19995	2.9
317.32062	2.9
335.33142	9.5
345.31512	8.5
356.00372	1.4
363.32581	28.8
399.34717	46.6
419.33249	2.5
423.49622	1.5
437.36343	29.1
455.37375	38.7
473.36310	1.7
511.40005	11.8
529.39447	95.0
551.98499	1.7
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
51.17834	0.8
53.03947	4.5
55.01872	2.2
55.05515	19.8
57.03440	4.1
57.07074	2.7
65.03944	3.8
67.05509	54.6
68.30935	0.8
69.07074	18.6
69.16139	8.0
69.16538	2.3
69.32493	0.8
70.06623	1.1
71.04987	2.9
73.34674	0.9
77.03925	1.5
77.88615	0.9
79.05500	47.5
81.03426	3.0
81.07063	55.9
83.04999	3.8
83.08617	11.3
85.06562	2.8
87.04501	5.5
87.20799	0.9
91.05486	32.6
93.07052	47.6
95.04990	4.5
95.08615	28.0
97.06532	6.6
97.10191	6.2
99.08120	2.1
102.09262	1.1
105.04530	2.1
105.07043	24.9
105.07690	1.8
107.04976	2.1
107.08604	24.9
107.09295	1.5
109.06509	1.9
109.10166	11.9
111.08109	2.1
115.05473	1.4
117.07016	15.5
117.92694	0.9
119.08588	18.9
119.09364	1.4
121.06552	1.3
121.10159	16.4
123.11723	3.3
125.09669	2.8
128.06248	1.5
129.07002	7.4
131.08578	22.4
132.09166	0.9
133.10152	13.4
135.08096	2.3
135.11714	12.2
141.07013	2.2
142.07784	1.6
143.08548	8.1
143.09515	0.9
145.10138	19.3
147.11690	7.6
149.09608	2.0
149.13271	11.8
149.14166	1.0
155.08609	3.8
157.10144	9.2
159.11710	16.1
161.13246	4.6
163.14999	1.0
169.10179	4.0
171.11755	4.8
173.13243	6.4
175.14900	1.4
176.65891	1.0
177.12802	2.0
181.10188	1.5
183.11719	3.6
185.13255	5.3
187.14868	5.0
189.16505	1.1
195.12012	1.4
195.13913	4.3
197.13373	3.5
199.14862	3.1
201.16454	2.7
209.13286	1.6
211.14883	1.8
213.12842	1.1
213.16512	2.2
223.15053	1.5
225.16394	1.8
227.12730	1.1
227.18045	1.9
229.19452	1.2
239.18098	1.2
243.21179	1.3
256.26376	10.0
261.22253	3.0
272.08771	1.3
275.20200	3.9
285.22266	2.7
311.23758	1.1
403.28177	1.1
419.33282	3.0
437.34418	9.4
455.35419	4.4
473.35995	2.3
511.37631	4.3
529.39069	100.0
530.39447	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13306	0.6
53.03945	5.2
53.12438	0.7
55.01867	2.5
55.05511	19.2
57.03445	4.0
57.07071	4.3
63.95057	0.7
65.03942	3.9
67.05506	60.8
69.03433	1.5
69.07069	19.1
71.04986	3.4
71.08627	1.4
71.29214	1.2
71.53336	0.7
77.03933	1.3
77.08126	0.8
79.05495	47.4
81.03419	2.6
81.07057	63.8
83.04984	3.3
83.08620	11.7
85.06556	2.8
87.04462	1.7
89.06036	0.7
91.04898	1.4
91.05479	37.3
93.07044	57.8
95.04978	6.6
95.08608	35.4
97.06532	5.7
97.10158	2.2
99.08109	2.8
103.05453	1.0
105.04519	2.3
105.07029	27.3
107.04955	2.1
107.08597	25.7
109.06525	2.4
109.10159	9.2
111.08068	2.9
115.05448	1.9
117.07019	13.0
118.04243	0.8
119.08578	19.1
121.06563	1.7
121.10148	20.5
123.08016	1.5
123.11725	3.3
125.09689	0.7
127.07574	0.8
128.06261	1.8
129.07022	7.6
131.08563	23.7
133.10127	14.7
135.08032	1.4
135.11681	11.8
137.13174	1.1
139.11153	0.8
141.06993	1.8
142.07808	1.0
143.08571	6.8
145.10132	15.2
147.11687	5.8
149.09669	1.1
149.13260	15.7
151.11229	1.0
155.08572	4.9
157.10118	7.4
159.11687	11.9
161.13260	5.5
163.14841	1.9
165.12724	0.9
167.08560	0.9
169.10143	2.8
171.11656	5.3
173.13321	5.5
175.14908	2.3
177.12773	3.8
181.10129	3.0
183.11757	2.6
185.13310	3.8
187.14890	3.6
189.16444	1.2
195.11887	1.5
195.13837	5.8
196.12549	0.8
197.13254	2.4
199.14842	3.5
201.16435	3.3
205.15971	0.8
209.13341	1.6
211.14867	2.3
213.16496	1.6
215.18034	1.7
223.14874	2.3
225.16338	2.3
227.18004	1.2
239.17862	0.9
243.21141	2.2
261.22174	4.8
276.90512	0.9
277.27933	0.8
311.23810	1.0
313.25180	1.0
317.24597	2.2
325.25241	1.4
339.26761	1.1
419.33136	3.4
427.35742	1.0
437.34274	11.9
455.35263	4.5
473.36438	4.6
511.37805	5.1
529.38904	100.0
530.39185	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03943	5.0
55.05511	17.3
57.03434	4.7
57.07076	4.2
65.03934	3.0
67.05509	48.8
69.03440	1.3
69.07074	18.6
69.14880	8.5
69.15283	2.6
71.04996	2.7
71.08631	1.5
73.63404	1.0
79.05499	39.2
81.03418	1.6
81.07063	52.6
83.04990	3.2
83.08627	11.3
85.06541	2.2
91.05493	30.7
93.07050	44.7
93.07640	2.2
95.04975	4.3
95.08614	31.5
97.06541	4.7
97.10193	2.5
98.21521	2.4
99.08145	1.4
105.04504	1.6
105.07044	23.5
105.93606	1.0
107.08605	22.3
109.06522	2.3
109.10164	12.2
111.08080	3.1
115.05457	1.3
117.07015	12.1
119.08598	17.9
121.06549	1.1
121.10154	16.0
123.08062	1.6
123.11736	3.2
125.09637	1.7
129.07021	6.3
131.08592	20.0
133.10150	15.6
135.11710	10.1
141.07053	1.8
143.08563	7.0
145.10118	14.0
147.11703	7.4
149.09615	1.1
149.13268	13.1
155.08549	2.4
157.10138	7.6
159.11711	13.9
161.13301	4.8
163.14868	1.3
169.10167	3.0
171.11728	5.0
173.13290	4.9
175.14908	2.4
177.12703	2.0
181.10251	1.7
183.11716	2.9
185.13275	3.2
187.14876	2.9
191.68167	1.3
195.12010	1.5
195.13846	6.4
197.13304	3.0
199.14851	2.9
201.16422	2.1
209.13332	1.5
211.14951	2.3
225.16240	1.6
253.14389	1.7
259.20691	1.8
261.22321	3.3
297.22070	1.6
313.25266	1.7
317.24841	2.4
419.33154	3.0
437.34344	7.6
455.35355	3.7
463.16440	1.3
473.36371	2.1
511.37997	3.7
529.38953	100.0
530.39001	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	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
55.01873	26.8
55.05512	52.0
57.03441	26.8
59.05001	4.2
61.02927	61.5
61.16547	3.2
65.03941	6.4
67.05506	86.0
69.03436	28.2
69.06731	4.1
69.07072	39.5
70.95944	8.4
71.01366	4.5
71.05006	9.0
73.02911	24.8
79.05493	68.7
81.03419	26.1
81.06586	7.2
81.07055	95.0
83.04988	17.5
83.08626	19.7
85.02903	47.6
85.06557	5.5
91.03970	24.3
91.05479	59.0
93.07050	74.4
95.04960	17.9
95.08614	44.3
97.02894	43.8
97.06525	43.8
97.10161	22.3
99.04446	9.4
100.55875	3.6
101.02367	8.0
103.03922	5.0
103.05437	4.1
105.07034	65.2
107.04941	18.9
107.08598	55.4
109.02867	9.7
109.06512	15.2
109.10155	31.5
111.08086	6.7
115.03893	5.4
117.07013	26.1
119.08580	57.8
121.06505	11.1
121.10149	28.1
123.08070	8.1
123.11718	10.3
125.09637	25.3
127.03959	17.6
129.06998	8.1
131.08566	37.2
133.10139	41.9
135.08031	15.8
135.11722	17.2
137.09590	12.2
139.03877	3.6
139.56900	3.9
143.08557	6.7
145.04936	4.8
145.10139	23.8
147.11690	32.4
149.09622	30.4
149.13243	14.1
151.11151	4.2
153.09100	4.1
155.08562	5.5
157.10144	11.0
159.11684	17.8
161.09579	5.9
161.13161	8.0
163.11183	15.3
165.12721	6.7
169.10097	5.6
171.10139	8.9
171.11656	8.8
173.11865	5.0
173.13263	12.2
175.11224	3.8
177.12775	7.9
178.38844	3.6
179.14355	5.4
183.06557	3.9
187.13286	4.0
189.11240	19.9
193.12280	7.5
195.13824	11.5
197.13329	5.4
227.12802	16.3
229.14227	5.2
239.18027	8.3
245.13823	15.2
247.20532	5.3
253.17920	11.8
257.18994	15.2
269.17307	17.9
275.20062	100.0
285.16968	4.9
293.21100	6.0
320.37738	4.7
349.23758	84.9
349.28040	5.0
367.24713	40.9
511.28247	5.6
529.18408	3.8
529.29132	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	529.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01868	1.0
57.52216	0.7
67.05515	1.1
67.28207	0.6
68.99815	1.2
69.62578	0.6
79.05466	0.7
81.07049	2.7
91.05484	0.8
95.04965	1.2
96.04504	4.9
107.05006	1.0
109.02864	2.2
109.10149	1.7
119.04951	3.2
123.04446	13.6
123.08059	1.0
135.04448	1.4
137.06050	0.9
139.03899	1.1
142.05006	5.4
143.59711	0.6
145.10127	0.8
147.04422	7.2
149.06030	2.4
151.03920	85.6
159.07701	6.3
163.03940	1.7
165.05495	6.3
177.05463	5.0
181.05008	2.1
183.49518	0.6
201.09055	1.5
219.10188	100.0
220.10406	1.1
303.08588	3.4
371.14920	10.0
447.99927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
55.01879	21.3
55.05517	27.7
57.03446	20.4
61.02648	4.4
61.02930	48.1
65.03941	3.8
67.05508	68.0
69.03428	24.5
69.07073	30.8
70.75886	8.3
71.01340	3.4
71.04977	6.5
73.02926	19.6
76.97490	2.4
79.00140	2.4
79.05069	4.0
79.05495	53.0
80.04984	2.1
81.03426	21.1
81.06592	5.3
81.07059	100.0
83.04983	14.4
83.08621	18.3
85.02910	40.6
85.06528	4.0
85.53287	2.6
86.15266	2.0
87.04542	2.1
91.03958	25.1
91.05483	45.1
91.59851	2.1
93.07049	40.7
95.04959	17.9
95.05467	2.6
95.08614	35.5
97.02890	34.1
97.06533	23.5
97.10155	11.7
97.87738	2.2
99.04462	8.1
101.02393	5.4
103.03970	3.7
105.07027	45.2
107.04962	17.0
107.08609	37.4
109.02890	7.7
109.06499	15.3
109.10168	25.2
111.08083	9.1
117.07020	10.9
119.08581	28.1
121.06495	6.7
121.10173	19.6
123.04424	4.3
123.08070	7.7
123.11735	12.9
125.09676	11.8
127.03916	15.5
129.05489	6.4
129.06998	8.7
131.08557	18.9
133.06393	3.0
133.10130	24.6
135.08064	7.2
135.11665	13.1
137.05962	3.4
137.09639	7.5
139.03938	3.7
139.07501	3.1
143.08516	4.6
145.04945	6.7
145.10138	20.6
147.08005	3.2
147.11693	29.3
149.09639	26.1
149.13278	8.0
151.11145	4.6
155.08626	2.4
157.10088	6.6
159.11682	11.6
161.09711	3.9
161.13289	5.8
163.11272	11.5
165.12759	8.2
169.10095	3.0
171.10158	8.3
171.11656	6.6
173.09570	3.9
173.11801	3.6
173.13269	9.1
175.11191	4.9
177.12749	5.9
179.14232	3.0
183.06523	5.3
183.11731	4.9
187.11147	3.5
187.14705	3.2
189.11165	12.5
189.12749	3.1
193.12253	5.8
197.13213	3.4
215.17883	2.9
219.13797	2.9
227.12814	11.1
229.14279	4.4
229.19568	5.7
234.80125	2.3
239.17928	6.0
245.13820	5.6
247.20628	3.2
253.17923	4.4
257.19061	15.6
273.06378	2.6
275.20065	86.2
293.21094	18.8
332.70935	2.7
349.23709	34.4
365.10370	4.0
367.24832	53.9
391.24509	3.2
462.72644	2.8
464.12726	2.7
497.15585	4.4
511.28488	3.2
521.85400	2.7
529.18292	4.8
529.29700	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	528.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94897	1.1
53.00307	1.3
55.01862	1.3
55.05510	3.4
55.50378	1.4
56.01400	54.4
56.05034	1.3
67.05495	4.8
69.07059	2.7
69.70000	3.6
69.70428	4.9
75.04486	4.4
79.05484	4.0
81.01535	1.9
81.07072	3.3
87.18639	1.1
89.26087	1.1
91.05476	3.6
93.07050	2.9
95.04980	2.0
95.08615	2.4
97.10207	1.3
104.04993	8.5
105.07023	3.4
107.08602	2.5
109.10177	2.1
115.05473	3.6
116.06226	2.2
117.07045	1.7
119.08565	3.1
121.10212	1.2
122.99970	1.4
125.29081	1.1
126.04685	2.0
127.04192	3.9
128.06239	2.3
129.07033	2.7
131.08554	2.6
132.04433	5.4
134.02388	13.1
137.01530	3.1
141.06993	1.5
142.06516	2.2
143.08517	4.5
145.10115	2.8
149.01524	4.6
150.01068	45.0
152.00267	2.1
154.04034	1.9
155.06059	5.1
155.08601	2.3
157.10126	2.8
159.11696	2.7
160.05078	2.1
160.64027	1.3
161.01521	1.4
162.01086	29.9
163.03285	1.4
164.02649	3.0
167.02612	6.8
168.00691	2.4
168.02129	48.8
169.10126	3.7
171.11681	2.5
177.03531	1.7
178.00551	1.7
179.02542	6.0
180.02206	6.8
183.11665	2.0
185.13168	2.3
189.02164	11.9
190.00563	41.8
190.04672	5.8
191.03720	3.2
195.02156	8.2
195.03578	1.2
196.01631	5.7
197.13292	1.4
203.01898	100.0
204.00880	4.1
207.01958	3.1
208.01613	2.8
214.07368	3.7
217.01643	15.9
217.99879	1.7
218.04247	50.4
219.03136	6.2
221.04800	1.6
223.01614	16.9
230.99387	2.3
235.02800	1.9
249.04274	34.0
249.06697	2.4
263.02255	6.0
265.03891	1.5
293.03250	8.7
298.20078	1.3
435.32489	3.5
436.32965	2.3
496.05154	2.0
527.37292	12.0
528.37500	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01875	1.4
55.05518	13.3
57.03434	3.8
57.07076	2.1
61.40054	0.8
65.03951	1.4
67.05511	24.5
69.07075	11.5
71.00602	1.7
71.00935	1.3
71.03506	1.0
71.04985	1.2
79.05066	1.4
79.05501	15.1
81.07062	27.9
83.04985	2.1
83.08627	6.8
85.06558	1.2
91.05487	20.0
93.07055	20.0
95.04980	1.9
95.08619	16.2
96.05966	1.1
97.06558	2.8
97.10157	2.5
103.05515	1.0
103.53584	1.1
105.07036	17.0
107.04934	1.0
107.08608	10.0
109.10168	7.5
111.08107	1.2
115.05474	2.1
117.07039	11.8
119.08578	13.2
121.10157	5.9
123.08105	1.3
123.11781	1.5
128.06239	3.4
129.07022	13.7
131.08586	19.3
133.10152	11.5
135.11707	3.8
137.09685	1.1
141.07010	4.1
142.07835	4.2
143.08572	19.5
145.10150	17.8
147.11676	5.7
149.09767	0.9
149.13318	2.1
153.07040	1.3
154.07851	1.6
155.08572	11.3
156.09335	1.3
157.10126	15.6
159.11682	12.9
161.13290	2.9
167.08618	4.7
168.09360	2.2
169.10123	13.9
171.11731	14.5
173.13297	7.1
179.08621	1.3
180.09450	1.0
181.10167	7.7
182.10793	1.1
183.11714	14.7
185.13283	10.2
187.14857	3.5
193.10184	1.5
195.11642	6.0
197.13269	9.1
199.14862	6.6
206.70102	0.9
207.11809	1.7
209.13226	6.8
211.14908	5.1
213.16489	2.1
221.13182	1.8
223.14873	4.3
225.16458	1.8
227.14412	1.1
227.17891	1.0
235.14841	2.5
237.16515	2.4
243.48689	1.0
259.20602	1.4
263.17706	1.5
277.19693	1.4
279.21185	1.4
283.20636	1.5
295.20633	1.1
297.22086	2.4
304.27374	1.0
309.22119	2.5
311.23535	1.4
315.23099	1.4
323.23749	1.9
327.23026	1.3
335.23795	1.4
337.25229	1.5
339.22919	1.5
351.27292	1.0
353.24881	1.6
355.71317	1.1
359.53177	1.0
361.25494	1.3
375.26688	1.1
417.31546	6.3
435.32645	20.6
453.33597	8.9
471.34775	3.2
473.34122	1.7
491.35294	2.3
509.36093	9.2
527.37378	100.0
528.37653	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01881	1.8
55.05514	14.1
57.03431	3.3
57.07047	1.3
65.03938	1.1
67.05508	27.5
69.07075	9.7
69.16848	5.0
69.17277	5.1
71.04981	1.7
79.05492	17.5
81.03421	1.2
81.07063	20.1
83.04969	1.4
83.08638	5.8
85.06525	1.2
88.54396	1.1
91.05490	17.1
93.07050	17.7
95.04964	1.9
95.08611	16.0
97.06545	2.0
97.10171	2.9
98.21509	2.4
98.80706	1.5
105.07029	17.0
107.08600	12.0
109.06486	1.7
109.10159	8.6
111.08057	1.5
115.05450	1.7
117.07027	11.6
119.08575	11.3
121.10148	6.5
123.11711	1.5
125.09576	1.2
128.06224	2.5
129.07028	13.0
131.08572	17.8
133.10146	8.4
135.08032	1.2
135.11703	4.7
139.11234	1.4
141.06981	4.1
142.07802	2.6
143.08565	15.0
145.10135	15.7
147.11702	5.0
149.13278	2.5
155.08594	8.2
156.09340	2.1
157.10165	13.3
159.11697	12.0
161.13251	1.6
167.08549	1.9
168.09451	1.1
169.10124	9.9
170.26678	1.0
171.11711	14.2
173.11888	1.3
173.13284	6.4
175.11171	1.3
179.08472	1.2
181.10139	6.6
182.10950	1.1
183.11734	11.6
185.13300	9.9
187.14877	2.8
193.10219	2.3
195.11632	6.9
197.13252	7.2
199.11217	1.4
199.14853	6.1
207.11661	2.2
209.13280	4.4
211.14841	3.9
213.16434	2.8
221.13354	1.5
223.14841	3.2
225.16434	1.8
227.14410	1.2
227.16318	1.1
235.14836	2.2
239.18069	1.4
241.19617	1.6
259.20584	1.5
261.22278	1.1
271.17014	1.1
297.22046	1.7
309.22498	1.2
311.23676	2.4
313.21490	1.2
315.23230	1.4
323.23761	2.9
337.25278	2.6
339.23117	1.5
341.24933	1.4
367.26385	1.2
401.27109	1.1
417.31540	6.7
435.32639	18.0
453.33722	8.6
471.34750	3.5
491.35446	1.8
509.36542	7.6
527.37347	100.0
528.37439	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09728	0.8
51.02379	0.8
53.03941	2.7
55.01862	1.9
55.05266	1.2
55.05515	13.9
57.03432	2.9
57.07068	1.4
65.03938	2.3
67.05510	30.6
69.03396	1.0
69.07071	12.4
71.04999	1.4
74.58196	0.9
79.05500	23.8
81.03400	1.7
81.07062	26.7
82.48257	1.0
83.04980	2.7
83.08626	8.2
85.06547	2.2
89.06023	2.5
91.05482	26.6
93.07047	27.1
95.04991	2.9
95.08624	18.9
97.06521	2.3
97.10170	3.4
99.08110	1.8
105.07040	27.0
107.04974	1.4
107.08598	15.2
109.06521	2.1
109.10176	6.8
111.08088	2.7
113.09596	1.0
115.05501	1.4
117.07014	15.7
119.08583	18.1
119.09377	1.6
121.06555	1.4
121.10143	9.2
123.08041	1.4
123.11732	2.8
125.09666	1.3
128.06219	3.1
129.07002	13.7
130.07825	0.9
131.08578	21.3
133.08636	1.0
133.10138	12.0
135.08104	1.1
135.11649	6.3
141.06999	4.7
142.07782	3.3
143.08569	15.5
144.09320	1.6
145.10136	15.7
147.11681	6.9
149.09543	1.1
149.13275	4.3
151.67540	0.8
155.08585	10.3
156.09340	1.3
157.10152	13.9
159.08073	1.1
159.11708	12.6
161.13290	3.5
163.14845	1.2
167.08614	2.7
168.09344	1.3
169.10141	8.8
170.10953	1.4
171.11700	13.0
173.13242	7.2
175.11078	0.9
175.14917	1.0
177.12766	1.2
177.16457	1.1
179.08470	1.6
181.10109	5.7
183.11707	9.4
185.13278	8.2
187.14873	3.0
193.10237	1.3
195.11623	4.8
197.13290	7.7
199.14894	6.0
203.14275	1.0
207.11739	1.7
209.13306	4.0
211.14862	3.7
213.16460	2.7
221.13275	1.5
223.14876	2.8
225.16478	2.0
227.17889	0.9
229.15016	1.0
235.14751	1.6
237.16374	2.2
241.19525	1.1
249.16493	1.1
251.18045	1.0
259.20532	6.1
269.17612	1.1
283.20703	1.9
295.20615	1.6
301.21747	1.0
301.25058	1.0
309.21918	2.3
311.23563	1.2
315.23264	3.6
323.23721	2.6
327.23346	1.1
329.24960	1.1
339.23035	1.6
365.24634	1.4
407.33276	1.3
417.31424	4.7
435.32657	14.9
453.33621	8.7
471.34775	5.3
473.33981	1.2
501.47540	0.9
509.36264	8.2
527.37360	100.0
528.37689	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68205	1.1
53.03942	2.7
55.01868	1.4
55.05266	1.7
55.05508	16.9
55.95134	1.2
57.03430	4.5
57.07084	2.6
65.03937	1.5
65.81886	1.1
67.05505	28.1
69.03389	1.7
69.07073	13.5
71.04996	1.6
71.47946	1.2
76.42970	1.1
79.05503	22.2
81.03452	1.6
81.07067	27.7
83.04980	1.9
83.08611	6.0
85.06594	1.2
87.96615	1.4
91.05482	21.1
93.07047	24.0
95.04964	2.7
95.08613	20.4
97.06519	2.8
97.10160	3.1
105.07038	22.0
107.08607	11.9
109.10176	7.8
111.08068	1.6
115.05504	2.7
117.07028	13.3
119.08585	15.8
121.10155	6.1
123.08144	1.7
123.11710	2.5
125.09655	2.7
128.06245	4.2
129.07007	14.2
131.08583	24.0
133.10150	10.0
135.11694	4.0
141.07050	3.4
142.07787	2.1
143.08572	19.5
145.10133	18.8
147.11696	6.2
149.13242	2.4
153.06837	1.4
155.08607	11.9
157.10143	15.8
159.11734	11.8
161.13191	1.5
167.08606	5.5
168.09415	2.0
169.10130	14.0
171.11690	13.6
173.13222	8.0
181.10121	4.6
183.11665	11.6
185.09641	1.7
185.13289	9.5
187.14816	3.2
191.14122	1.8
193.10190	1.9
195.11720	4.4
197.13309	10.1
199.14816	6.2
207.11774	1.5
209.13329	4.6
211.14862	5.2
213.16472	2.7
221.13303	3.8
223.14894	4.2
225.16408	3.4
237.16418	3.0
249.16391	2.9
259.20901	1.4
269.18927	1.6
283.20453	1.6
291.21237	1.6
295.20529	1.5
297.22247	1.6
309.22208	2.5
311.23856	3.4
313.21460	1.5
315.23108	2.1
323.23788	3.2
337.25464	2.1
341.24866	1.4
417.31668	6.0
435.32681	21.1
453.33838	9.4
471.35022	3.4
491.35104	2.2
509.36288	8.0
527.37366	100.0
528.37646	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	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.50944	1.0
55.01880	2.0
55.05280	1.1
55.05519	12.4
57.03426	3.8
67.05509	25.0
68.56826	1.0
69.07072	10.4
69.25166	9.7
71.05005	2.0
79.05069	1.4
79.05501	18.8
80.77464	1.0
81.03416	1.5
81.07063	22.2
83.04990	1.4
83.08620	5.9
85.06572	1.5
91.05482	15.9
93.07048	14.2
95.04951	2.6
95.08621	15.8
97.06536	1.3
97.10172	3.2
98.20810	2.5
105.07040	16.3
107.08604	9.7
109.10150	7.4
115.05467	2.2
117.07026	11.1
119.08577	13.8
121.10156	6.9
123.08054	1.9
123.11689	1.1
125.09656	2.1
128.06210	3.0
129.07014	14.4
130.07794	1.3
131.08583	18.3
133.10155	7.3
135.11728	3.3
141.07022	4.4
142.07777	3.1
143.08578	17.8
145.10132	16.8
147.11719	5.7
149.09676	1.4
149.13235	1.7
153.07014	1.0
154.07809	1.6
155.08577	10.8
156.09361	2.5
157.10149	16.4
159.11685	11.3
161.13295	1.5
165.06912	1.2
167.08606	3.3
168.09361	1.4
169.10155	12.9
171.11705	13.3
173.13266	6.8
175.14857	1.3
181.10182	6.0
183.11723	12.1
185.13318	10.4
187.14838	2.5
193.10165	1.5
195.11798	7.4
195.13388	1.4
196.32698	1.0
197.13312	7.2
199.14853	4.5
201.16544	1.4
207.11668	1.3
209.13268	3.4
211.14864	4.6
213.16470	2.9
221.13370	2.5
223.14851	4.8
225.09599	1.2
225.16386	2.7
230.56120	1.0
235.14915	1.2
237.16389	3.0
239.17992	1.7
251.18011	1.4
277.19559	1.7
279.21344	1.2
283.20706	2.3
295.20688	1.3
297.22189	2.3
299.20096	1.2
309.21857	1.3
311.23770	3.0
313.21631	2.2
315.23300	1.3
317.02252	1.1
320.75787	1.0
323.23840	1.4
339.23032	1.6
341.24680	1.7
353.24869	1.4
355.26105	1.5
417.31592	6.1
435.32611	19.3
453.33679	10.0
471.34848	3.3
473.34036	1.7
491.35413	1.7
509.36407	12.3
527.37347	100.0
528.37665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84227	0.7
53.03948	2.3
55.01872	1.8
55.05518	13.6
55.20631	0.9
57.03432	3.0
57.83601	0.8
65.03947	1.6
65.16617	0.8
67.05508	24.4
69.07072	11.3
70.90524	2.1
75.80547	0.8
79.05498	16.5
81.07066	21.9
83.04987	1.6
83.08633	6.0
85.04340	1.0
85.06524	1.0
85.47723	0.8
85.73264	0.8
91.05484	18.3
93.06480	1.4
93.07046	18.5
95.04955	1.6
95.08610	17.1
97.06516	1.6
97.10168	2.8
105.07037	16.0
107.08614	8.4
109.06541	1.5
109.10157	5.1
115.05460	1.9
117.07028	12.0
119.08585	12.4
121.10160	5.5
123.08063	1.6
123.11737	1.0
125.09629	1.8
128.06201	4.3
129.07014	12.5
131.08583	19.8
133.10126	8.9
135.11682	2.8
137.09563	0.8
141.07008	5.2
142.07777	3.4
143.08585	17.2
144.09406	1.1
145.10138	16.0
147.11694	3.0
149.13232	1.8
153.07004	1.1
154.07805	1.5
155.08551	11.5
156.09389	1.7
157.10138	17.2
159.11697	13.4
161.13310	2.1
165.06989	0.9
167.08604	3.8
168.09370	1.2
169.10138	13.4
170.10912	1.2
171.08130	1.2
171.11711	13.2
173.13284	8.4
176.70811	0.8
181.10110	5.0
182.10994	2.0
183.11710	12.2
183.13234	1.1
185.13260	9.4
187.14885	2.3
191.08563	0.8
193.10181	1.7
195.11694	6.4
197.13301	8.8
199.11282	1.0
199.14844	6.3
201.12769	0.9
207.11766	1.8
209.13284	5.0
211.14833	4.4
213.16431	2.5
221.13269	1.8
223.14880	3.6
225.16411	1.8
232.12634	0.8
235.14812	3.1
237.16525	2.3
251.17877	1.1
259.20706	1.7
263.18118	1.2
269.19324	1.1
283.20599	1.0
285.18573	1.3
297.22052	1.6
307.20364	1.1
309.22241	2.1
311.23532	1.5
315.23236	1.8
323.23807	1.9
327.23151	1.6
337.25302	2.2
339.23413	1.0
383.78482	0.9
407.33328	1.2
417.31601	6.8
433.30157	1.0
435.32645	17.7
453.33643	9.4
471.34631	1.9
473.34076	1.5
491.35190	2.3
509.36429	9.6
523.37024	0.9
527.37360	100.0
528.38025	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	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
53.03948	3.2
55.01862	1.9
55.05515	17.5
55.10946	0.7
57.03438	4.0
57.07077	3.1
59.05033	0.9
60.46787	0.6
65.03933	2.4
67.05508	35.1
69.06736	1.1
69.07074	13.7
69.25964	5.8
71.04988	2.0
71.08623	0.8
75.83882	0.6
77.03926	0.8
79.05497	26.1
81.03413	3.1
81.07061	32.4
83.04986	3.9
83.08620	8.9
85.06546	2.1
89.06033	2.6
91.05482	30.0
93.07046	27.0
95.04977	3.3
95.08614	21.2
97.06538	3.5
97.10186	5.9
99.08074	1.1
103.05489	1.3
105.07037	26.8
107.04963	1.5
107.08595	15.0
109.06546	3.1
109.10159	9.8
111.08070	1.9
115.05461	2.1
117.07019	15.6
119.08585	18.9
121.06545	1.2
121.10149	10.0
123.08057	2.0
123.11735	1.8
125.09636	2.8
128.06226	4.1
129.07004	13.5
130.07742	0.8
131.08575	23.7
133.08614	1.0
133.10141	16.9
135.08037	1.5
135.11678	7.1
137.09566	0.7
141.07001	4.5
142.07793	4.4
143.08571	17.2
144.09453	0.8
145.10133	18.6
147.11699	7.4
149.09575	0.9
149.13266	2.9
151.11124	0.8
153.06976	1.0
153.12668	0.7
154.07784	1.2
155.08565	10.6
156.09348	1.6
157.10130	16.7
159.11688	13.5
161.09624	1.3
161.13281	3.0
163.11148	0.9
167.08527	3.5
168.09311	1.3
169.10143	11.0
170.10881	1.1
171.11699	14.1
173.13245	5.8
175.14839	1.4
177.12823	0.9
179.08549	1.3
180.09380	1.0
181.10124	5.1
182.10973	0.8
183.11699	9.4
184.12297	0.8
185.13248	8.7
187.14819	2.4
189.11185	0.9
191.14381	0.7
191.77501	0.7
193.10193	0.9
195.11697	6.4
195.13536	1.0
197.13258	9.3
199.14853	5.4
201.16466	1.2
207.11687	2.2
209.13196	4.4
211.14844	3.7
213.14616	0.9
213.16403	2.5
221.13275	1.5
223.14870	2.7
225.16414	2.3
227.18024	1.2
233.19133	0.8
235.14836	1.9
237.16434	1.4
239.18109	1.3
241.19589	1.9
249.16470	0.8
251.18198	1.0
259.20642	3.1
273.18839	0.8
279.21048	1.1
283.20554	2.1
285.18552	1.2
285.21918	0.9
295.20578	1.3
297.22159	2.4
301.25186	1.6
309.22260	1.3
311.23953	1.2
313.21777	0.8
315.23236	2.9
323.23715	2.2
325.25235	1.3
327.23303	1.4
329.24594	1.0
335.23651	1.0
337.25159	1.5
339.23096	1.2
341.24796	1.3
347.23401	0.9
353.24808	1.6
359.25903	0.7
417.31665	6.1
435.32596	15.3
453.33636	9.0
454.34161	0.8
457.29486	0.8
463.77185	0.7
471.34921	4.1
473.34097	1.8
491.35330	2.1
509.36386	5.5
527.37360	100.0
528.37762	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	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01868	4.7
55.05518	24.1
57.03427	7.8
59.04996	2.8
61.02933	16.1
64.22918	2.1
65.03950	3.7
67.05511	37.1
69.03429	10.4
69.07071	9.7
70.67412	5.6
71.04990	4.1
73.02907	5.8
77.03912	2.1
79.05502	30.9
81.03427	7.1
81.07067	35.7
83.04980	6.6
83.08627	12.6
84.08146	2.0
85.02907	17.3
89.96945	1.9
91.03957	9.5
91.05488	51.1
93.07053	30.6
95.04971	6.6
95.08601	24.7
97.02922	10.9
97.06544	7.4
97.10178	6.1
99.08111	2.1
105.07038	44.7
107.04951	6.1
107.08607	16.5
109.02917	2.4
109.06505	11.3
109.10159	13.3
111.04452	3.2
111.08070	7.7
115.03983	2.9
115.05452	6.5
116.06241	4.1
117.07038	26.8
119.04923	1.9
119.08587	28.8
121.06498	8.0
121.10143	12.4
123.04499	3.1
123.08047	7.4
125.09615	3.9
127.03889	2.2
128.06241	14.9
129.07007	23.4
130.07785	5.9
131.08586	54.0
133.06512	9.8
133.10162	13.5
135.08040	6.3
135.11700	8.1
137.05971	3.1
137.09633	4.0
139.03934	2.8
141.06998	4.2
142.07797	3.5
143.08571	60.5
145.06528	3.7
145.10129	56.8
147.08070	8.9
147.11707	4.6
148.72694	2.0
149.09627	5.7
151.07536	3.0
155.08582	7.7
157.10136	18.1
159.08102	4.9
159.11700	14.0
161.09615	14.2
161.13312	1.8
163.11191	7.9
167.08582	5.0
167.10738	2.1
169.10141	13.2
171.08067	3.0
171.11711	13.2
173.09543	3.5
173.11890	2.1
174.10403	1.8
175.11235	7.7
177.12718	4.4
179.16733	2.0
181.10121	8.5
183.11671	9.3
185.13269	4.0
187.11272	4.3
189.12724	3.5
193.12201	2.2
195.11723	16.4
199.14821	2.4
201.12653	3.3
203.12772	2.4
209.11659	3.8
213.12881	2.8
227.18021	4.5
237.16394	17.1
245.19012	4.7
255.17476	25.3
273.18518	53.9
283.15472	2.5
291.19699	2.6
316.02765	2.4
347.22217	100.0
365.23355	3.2
509.27441	2.5
527.28918	6.1
535.46661	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01851	11.5
55.05510	19.4
57.03439	37.0
57.07061	4.4
61.02931	36.7
65.03937	6.0
67.05508	93.0
69.03424	19.9
69.07064	8.6
69.15706	24.6
69.16129	10.4
71.04984	11.2
73.02908	16.3
79.05492	44.4
81.03422	27.2
81.07059	51.5
83.01318	3.7
83.04965	8.9
83.08595	8.9
85.02914	29.8
85.06544	25.7
85.82436	3.9
91.03938	11.7
91.05477	41.8
93.07040	36.5
95.04376	5.9
95.04972	100.0
95.08601	25.4
97.02898	28.7
97.06527	10.6
97.10158	5.8
98.20704	6.6
101.02370	7.9
105.07032	31.7
107.04949	15.7
107.08631	23.1
109.02848	10.8
109.05803	5.0
109.06517	74.8
109.10149	20.5
111.04443	9.1
111.08096	4.7
111.92553	3.1
113.05254	4.4
113.06009	84.1
115.05487	3.5
117.07012	18.4
119.08567	15.4
121.06470	10.3
121.10126	12.1
123.04400	11.9
123.08025	7.1
125.09603	4.3
127.03909	11.1
128.06215	3.2
129.06996	14.3
131.08582	22.7
133.10126	17.2
135.08057	51.1
135.11682	13.0
137.05946	5.2
137.09641	4.9
139.03922	7.2
143.08525	10.8
145.06471	6.0
145.10117	18.0
147.08057	11.8
147.11644	13.9
149.09570	6.9
149.13248	5.4
157.10109	10.9
159.11717	6.4
161.09541	10.5
163.11179	10.6
171.11644	3.7
173.09531	5.0
175.11224	7.0
177.12830	4.1
193.12332	4.0
209.11620	6.9
217.15858	16.6
227.12772	8.6
227.17960	3.3
255.17479	5.1
265.14380	4.7
273.18491	51.3
283.15637	3.7
291.19547	95.0
347.21976	8.8
365.23184	25.3
509.27362	6.6
527.28430	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	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62909	2.2
55.05320	2.2
55.05520	24.1
57.03444	12.9
57.07067	10.2
59.04994	3.7
62.62767	2.3
67.05511	100.0
68.19125	2.3
69.07074	30.6
70.06581	3.8
71.04973	2.7
71.08627	6.3
71.52095	3.4
79.05520	13.2
81.07063	49.6
83.08619	17.5
85.10133	3.3
89.06038	62.1
91.05484	14.8
93.07053	14.4
95.08041	4.0
95.08611	34.7
97.06518	3.0
97.10163	5.2
99.04463	2.6
105.07009	6.5
107.08594	5.5
109.10173	61.3
111.08109	3.2
119.08566	10.0
121.10152	6.7
123.11736	5.1
133.08611	39.9
133.10144	4.9
135.11670	5.3
137.09653	3.9
147.11713	4.0
155.10716	3.9
173.11806	17.8
177.11197	12.6
200.19945	3.4
221.13837	2.5
229.14371	72.9
244.22748	8.3
263.23672	6.1
266.29001	2.3
281.24902	5.8
309.27884	46.5
321.87308	2.4
327.20093	24.7
337.27380	76.8
448.23083	2.5
491.30838	3.7
491.37384	53.1
526.48151	42.7
553.29639	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04877	5.5
51.74197	6.7
55.05505	13.6
57.07048	8.0
61.02913	6.3
67.05507	30.7
69.07067	35.3
70.06570	15.8
70.59158	5.5
71.05006	8.6
71.51264	8.8
72.08164	5.9
79.05482	22.5
81.07063	100.0
83.08621	19.5
85.02905	13.4
85.06526	23.6
91.03985	6.4
91.05463	18.5
93.07044	47.2
95.08055	8.9
95.08618	96.7
97.02902	9.0
97.10150	14.0
99.08099	18.9
105.07034	19.1
107.08601	47.9
109.10165	78.2
111.08102	11.5
111.11665	7.2
114.09212	6.0
119.08598	16.7
121.06497	7.9
121.10177	33.0
123.04454	15.9
123.11700	51.7
131.78583	6.2
133.10097	15.1
135.11676	27.5
137.05977	12.3
137.13252	22.9
139.03905	18.6
147.11787	6.4
149.13284	42.7
151.03886	8.0
153.01817	6.7
163.03925	8.3
163.14833	31.3
167.07028	8.0
167.14267	7.6
177.16417	11.0
189.16365	8.6
191.17857	7.4
195.17459	6.8
211.09665	13.2
212.10043	7.0
217.19524	11.7
259.10767	6.9
273.25668	26.5
291.26874	75.3
309.27936	30.4
327.29205	9.5
525.22400	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32206	16.0
58.28774	16.5
67.05495	38.8
69.07072	40.1
70.05015	64.4
70.05382	30.7
77.60754	19.4
80.83847	15.3
81.07062	99.9
85.06557	23.8
91.05505	26.1
93.07021	37.5
95.08588	100.0
98.21524	17.8
101.33057	16.6
105.07025	21.9
107.08588	51.1
109.10163	60.3
114.07331	18.7
121.06506	23.7
121.10168	21.4
123.11683	49.5
135.11667	19.8
137.05952	19.8
137.13336	26.2
139.03912	38.8
143.10625	16.9
144.46596	15.7
149.13254	53.1
151.03897	18.2
163.03886	23.2
163.14755	31.2
193.08670	31.6
212.10016	27.7
273.25589	17.8
291.26852	57.1
309.27863	31.3
403.71301	16.8
456.99014	18.4
524.25220	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76299	3.6
53.03942	8.3
54.98140	3.2
55.01871	15.6
55.05514	46.9
57.03434	8.1
59.04998	12.9
61.02919	3.1
64.44485	3.8
65.03931	8.1
67.05511	91.2
69.03426	9.3
69.07061	21.3
69.47321	23.0
71.01356	3.5
71.04997	38.3
75.38739	3.4
79.05495	79.6
81.03417	78.1
81.07067	79.6
83.04987	25.4
83.08625	31.5
85.02421	3.3
85.02895	9.9
85.06542	12.1
87.04472	6.2
91.05486	81.0
93.07053	72.4
95.04971	43.8
95.08607	33.0
97.02924	6.1
97.06560	19.7
97.10172	24.5
99.04457	4.2
99.08152	3.6
103.05494	4.4
105.07040	61.4
107.04974	21.5
107.08605	52.6
109.06528	15.0
109.10172	19.2
111.04457	16.0
111.08086	20.7
115.05506	5.5
117.07002	15.1
119.05012	4.8
119.08605	40.1
120.35453	3.3
121.06499	14.5
121.10148	45.1
123.04444	12.6
123.08114	10.3
123.11736	8.8
125.06010	7.9
125.09639	24.5
129.06990	20.7
131.08569	37.7
133.06493	10.8
133.10135	40.9
135.04414	13.1
135.08028	9.8
135.11697	12.7
137.06042	7.9
137.09624	5.3
139.11208	4.5
140.66342	3.0
141.06935	4.8
142.07780	5.2
143.08583	6.0
145.10143	13.4
147.04428	5.0
147.08038	6.0
147.11690	37.1
149.09633	48.6
151.11194	10.1
153.09076	8.5
153.12773	4.6
155.08594	5.5
157.10170	29.1
159.11662	7.5
161.06067	3.8
161.09683	6.2
163.07532	3.8
163.11137	17.0
165.12857	4.4
167.10744	5.7
171.11699	7.1
175.07544	3.4
175.11206	25.1
181.12239	9.0
185.13339	3.7
187.11221	4.4
189.11229	12.3
189.12776	3.7
191.10681	13.5
193.12248	65.6
197.15434	5.1
199.13338	13.3
203.14253	6.1
205.08582	6.9
205.12256	3.9
207.13712	7.3
209.11768	10.4
211.11415	3.9
211.13289	100.0
225.14807	27.0
227.12704	17.5
231.13847	5.7
235.13255	8.2
249.14857	22.5
253.14375	5.5
267.15967	12.4
283.15363	8.1
327.18246	3.5
337.21597	9.1
355.22855	11.2
365.21194	13.4
373.23630	6.9
383.22195	29.8
401.23239	28.8
415.24850	4.1
419.24350	5.8
421.25598	3.8
433.25955	14.4
451.26599	4.5
457.26071	5.0
475.26892	26.2
481.28006	4.2
493.28030	28.2
507.29532	59.4
525.30695	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	525.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.9
53.10850	3.4
55.01877	21.4
55.05313	3.5
55.05519	43.9
57.03436	14.3
57.07059	4.6
59.04993	16.5
65.03938	6.9
67.05509	82.4
69.03429	11.2
69.07073	22.5
69.15264	29.7
69.15685	12.9
70.06575	4.1
71.04989	29.5
79.05067	7.4
79.05500	91.5
81.03426	70.5
81.07063	91.0
83.04984	29.4
83.08632	35.6
85.02920	7.9
85.06543	12.3
87.04475	9.5
91.05489	97.0
93.07049	80.9
93.16599	3.6
95.04967	37.5
95.08609	43.1
97.02921	9.4
97.06548	22.5
97.10170	17.9
99.04467	5.7
105.06412	4.4
105.07048	61.6
107.04978	22.4
107.08596	46.6
109.02916	5.4
109.06520	14.8
109.10168	23.7
111.04454	13.5
111.08080	16.3
117.06346	3.6
117.07004	19.5
119.08589	46.3
121.06498	7.4
121.10147	47.2
123.04440	10.6
123.08074	12.0
123.11714	6.1
125.09621	19.8
129.07007	19.2
131.08572	38.8
133.06528	5.1
133.10138	46.6
135.04404	13.0
135.08051	8.6
135.11703	20.0
137.05991	10.3
139.03838	5.7
142.07716	4.1
142.51349	4.1
143.08537	11.8
145.10132	20.7
147.04431	4.6
147.08067	12.2
147.11682	30.3
149.09636	43.3
149.13168	4.6
153.09102	7.9
153.12810	10.7
155.08594	4.3
157.06520	4.5
157.10152	28.2
159.11761	7.1
159.63185	4.2
161.05978	5.0
161.09669	7.0
163.11176	22.0
165.05547	4.7
165.12729	6.5
167.10661	6.8
167.42747	3.9
169.10120	4.9
171.11653	4.9
175.07794	4.1
175.11234	30.7
177.12581	3.9
179.38197	3.8
181.12257	11.0
184.44371	4.5
187.11185	6.8
189.11223	12.9
191.10597	8.6
193.12233	70.5
197.15405	6.0
199.13278	8.4
203.14288	4.0
207.13817	7.3
209.11681	10.2
211.13274	100.0
225.14914	28.0
227.12703	20.5
231.13837	10.1
235.13365	4.7
249.14906	27.1
267.15930	12.7
271.16501	4.3
283.15393	14.9
285.52808	3.8
337.21463	7.0
348.56412	4.7
355.22760	11.2
365.21158	10.1
373.23840	6.6
383.22229	34.9
396.97601	4.3
401.23297	42.9
415.24747	12.4
419.24362	5.3
421.26053	4.6
433.25778	16.4
451.27032	4.4
457.26028	4.9
475.26874	26.8
489.28381	6.8
493.28156	35.8
507.29617	60.5
525.30896	77.1
526.80396	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	525.2338
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.05513	5.4
58.29020	2.3
67.05508	13.1
69.03434	6.2
69.07070	6.4
69.32199	2.3
70.06593	2.5
71.05021	3.5
71.51004	2.9
79.01867	2.4
79.05505	7.7
81.03417	10.6
81.07060	14.0
83.04984	7.7
83.08621	3.6
85.02898	6.7
91.05489	8.3
93.07053	8.8
95.04955	3.5
95.08601	18.3
97.02902	7.6
97.06548	3.9
97.10136	3.2
97.41194	2.2
105.07046	7.2
107.04992	2.9
107.08613	16.1
109.02892	6.2
109.06536	7.1
109.10162	51.8
117.07034	2.5
119.08576	16.0
121.10147	5.8
123.04449	7.1
123.08102	7.7
123.11700	3.0
125.02363	2.7
127.03934	7.8
133.10141	12.0
135.11702	45.5
135.13525	2.1
135.33211	2.4
137.05980	3.5
137.09627	10.2
139.03958	3.0
143.03394	3.1
145.02901	2.7
149.13292	4.1
151.03955	8.8
151.11218	6.7
151.14830	7.4
153.01845	100.0
153.02878	4.0
171.02951	13.2
175.14848	24.0
177.05513	2.8
193.15884	24.8
211.16943	48.6
214.91319	2.6
251.11636	2.8
297.06107	9.8
314.63290	2.3
315.07056	7.1
329.05069	2.5
329.84232	2.2
362.69678	2.5
386.13156	2.9
445.03723	2.4
507.17709	2.6
525.27002	3.6
530.28192	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	525.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72964	1.0
55.01878	1.3
55.05507	3.2
55.68160	1.2
59.05005	1.4
65.03902	1.4
67.05515	8.9
69.03440	6.7
69.07061	4.5
69.45202	7.5
71.04993	1.8
71.44846	1.1
77.96415	1.0
79.01859	3.8
79.05491	2.0
81.03420	6.6
81.07062	8.8
83.04987	4.6
83.08610	2.3
85.02892	3.9
85.06570	2.2
91.05483	2.3
93.07059	6.6
95.04975	1.5
95.08616	16.6
97.02902	5.8
97.10194	1.3
99.04470	1.3
99.08102	1.8
105.07026	4.3
107.01289	1.8
107.08599	12.0
109.02881	6.0
109.06515	3.3
109.10161	52.9
111.04446	1.4
119.08593	19.6
121.06500	1.5
121.10141	4.8
123.04475	3.7
123.08063	4.6
123.11709	4.6
125.02346	2.5
125.09565	1.6
127.03939	10.9
133.10161	10.7
135.11700	50.4
137.06003	2.5
137.09644	6.6
139.03929	16.7
143.03410	4.1
145.05006	1.8
149.13258	4.0
151.03915	14.4
151.11176	4.0
151.14822	5.2
153.01843	100.0
153.02876	3.9
153.05475	3.3
163.03984	2.3
165.16496	1.9
167.03395	2.0
171.02910	12.6
175.14847	20.8
193.15895	29.8
211.16951	28.4
269.04611	1.6
277.07117	4.0
297.06094	6.4
315.07101	8.9
355.11703	2.2
370.94199	1.3
525.22565	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.2
57.03448	11.2
57.07081	11.8
59.04996	2.4
67.05508	100.0
67.69195	2.4
68.05832	2.7
69.07074	11.5
71.04996	2.9
71.08633	7.1
79.05503	24.5
81.03416	4.6
81.07059	41.8
82.07410	2.5
83.08627	10.9
85.06563	3.0
85.10178	4.5
87.04456	2.1
89.06028	2.1
91.05491	18.2
93.07049	23.8
95.04969	3.7
95.08616	32.9
97.06508	3.4
97.10173	2.8
105.07021	8.6
107.08604	8.6
109.06548	2.9
109.10164	61.1
111.08080	2.6
117.07041	2.6
119.08609	13.7
121.10170	9.0
123.11743	5.8
131.08595	2.8
133.10117	4.4
135.11703	4.0
137.09637	4.3
147.11671	7.0
148.12021	4.3
149.13261	3.3
155.10648	5.2
159.11687	3.6
161.13319	2.5
165.12758	2.8
166.13011	3.1
173.11739	17.4
173.13208	4.0
198.91597	2.1
229.14371	60.3
243.21098	3.0
253.53856	2.4
261.22144	9.3
267.16055	5.0
268.16269	4.8
314.27332	2.7
335.25821	59.3
489.35846	32.8
524.40460	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	524.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22575	1.0
53.03932	2.5
55.01875	1.8
55.05491	1.0
57.03441	1.0
65.03931	2.0
67.05489	2.2
70.06578	1.7
70.10410	2.7
72.36782	0.9
75.04456	1.0
77.05651	1.1
78.04710	1.2
79.05494	9.3
81.07043	2.5
85.02894	2.3
89.03910	1.4
91.05477	10.3
93.03440	5.4
93.07029	4.1
93.89768	1.0
95.04952	4.0
97.06515	3.8
103.05477	11.6
105.07031	19.5
106.04177	9.5
107.04952	5.4
109.02876	3.0
109.06502	2.2
114.92758	1.0
117.03415	1.1
118.04164	17.9
119.04912	3.2
121.06509	18.8
122.07341	1.3
123.04406	4.1
124.05220	8.4
125.05994	4.0
131.04909	4.4
132.05775	1.1
133.06491	25.7
134.03627	2.0
134.07266	2.5
135.04388	4.0
135.08081	5.0
137.05945	6.5
138.06494	1.1
139.03940	1.2
145.02896	1.6
145.06499	1.2
147.04384	1.4
149.05981	17.9
150.06757	8.6
151.03885	3.9
151.07536	4.7
152.04247	1.7
152.53619	1.0
153.05519	1.3
153.09097	4.8
161.05933	5.9
163.03944	2.1
163.07523	3.2
165.05505	1.1
165.09125	14.7
167.07001	4.5
167.97227	1.2
176.14275	1.9
177.05505	15.0
178.06198	1.2
181.08577	10.3
191.07085	4.9
192.07820	2.0
193.08609	100.0
194.08759	1.5
195.06557	1.5
196.65598	1.2
209.08095	72.2
223.04224	8.3
259.99997	1.4
276.12146	1.9
310.71106	1.0
362.06693	1.5
384.90793	1.2
385.16302	1.2
510.51776	1.1
524.32074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44708	0.5
53.03938	0.5
55.01857	1.9
57.03421	0.7
70.85986	0.9
70.86321	0.6
75.04464	0.6
79.05492	5.4
81.03408	0.7
91.05479	5.8
93.07026	1.3
95.04945	1.0
103.05457	6.0
104.06222	0.6
105.07031	19.2
106.04194	0.8
107.04948	2.8
107.08655	0.5
108.05748	0.9
109.06507	1.6
115.05437	1.6
117.07020	0.6
118.04167	6.0
119.04981	2.8
120.05704	0.9
121.02917	0.5
121.06509	3.5
122.07314	1.1
123.04411	0.7
123.08041	1.6
124.05182	1.6
125.05971	0.6
131.04924	1.4
132.05739	2.2
133.06494	19.5
134.07285	0.9
134.24876	0.5
135.04408	2.4
135.08047	4.1
137.05977	6.8
146.03656	1.3
147.04388	1.1
148.05109	0.9
149.05989	3.9
150.06761	13.0
151.07549	4.3
153.05421	0.6
154.05017	1.8
161.05969	3.8
163.07553	1.2
165.09125	14.2
167.05663	0.6
167.07042	9.6
168.07823	0.5
177.05490	1.5
178.06258	2.1
179.06992	1.9
181.08588	1.5
191.07108	1.1
192.07782	0.5
193.08609	58.4
193.95631	0.5
209.08104	3.8
211.09659	100.0
212.10234	1.0
235.37883	0.5
240.32860	0.4
251.09122	3.3
280.08112	0.6
324.20291	0.5
344.52124	0.5
355.11765	0.5
371.14944	5.3
403.17465	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	524.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95794	0.8
52.22554	1.0
56.05024	2.1
71.49567	0.9
71.49973	1.3
84.08148	74.6
89.03929	1.0
91.05472	2.0
96.04491	3.2
114.05550	1.6
119.04935	1.9
127.03912	0.8
130.08649	100.0
145.02840	1.8
147.04399	5.7
160.06113	2.4
177.05505	3.6
180.80597	1.0
187.43564	0.9
206.28000	1.0
207.06549	1.2
242.05093	1.3
245.05202	1.4
324.10065	1.0
524.06970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01842	1.4
55.05519	19.5
57.03447	7.3
57.07079	49.2
65.03943	2.1
67.05511	36.9
69.03413	3.6
69.07079	14.3
71.04988	5.0
71.08634	32.3
79.05495	22.3
81.03422	48.6
81.07065	45.7
83.04987	9.5
83.08624	25.3
84.57514	1.7
85.02914	21.8
85.06573	1.4
85.10188	17.8
91.05487	23.1
93.07040	15.2
95.04984	19.1
95.08613	37.7
97.02872	1.9
97.06519	3.4
97.10181	9.7
98.15898	1.3
99.08098	2.1
103.23170	1.2
105.07047	18.1
107.04951	3.5
107.08629	7.6
109.06527	3.8
109.10162	17.0
111.04427	2.3
111.08094	9.4
113.06013	3.1
117.07024	1.3
119.08592	14.7
121.06541	1.4
121.10152	10.2
121.49517	1.4
123.08138	1.8
123.11720	8.8
129.07008	8.2
131.08578	9.3
133.10124	6.8
135.11690	2.0
137.13252	3.8
142.07780	3.2
145.10135	1.8
147.08069	1.6
147.11678	14.1
149.09656	6.2
157.10161	11.9
165.12717	1.9
175.11218	11.2
193.12254	46.9
206.02124	1.3
211.13307	51.8
211.15311	2.9
229.14272	2.2
239.23750	8.3
249.14938	2.5
267.15994	8.2
313.27432	8.7
481.05804	2.1
505.38559	2.4
523.39990	100.0
524.40698	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47652	0.9
53.03940	2.7
54.17702	0.8
55.01864	1.7
55.05269	1.5
55.05513	15.5
57.03446	5.4
57.07080	37.8
65.03939	1.5
67.05510	30.0
69.03426	2.7
69.07071	11.0
69.39702	0.9
71.04993	3.6
71.08637	28.7
71.51685	1.3
71.52065	1.5
79.05497	15.3
81.02932	1.4
81.03426	37.3
81.07064	37.6
83.04986	5.7
83.08154	1.6
83.08627	25.3
85.02913	19.0
85.06529	2.9
85.10188	14.9
86.26105	0.9
91.05490	20.0
93.07047	11.1
95.04977	15.3
95.08614	31.8
95.63257	0.9
97.02925	2.0
97.06525	3.4
97.10172	8.0
99.11768	1.8
105.07037	17.8
107.04971	2.4
107.08591	5.0
109.06545	2.2
109.10162	13.5
111.04455	2.1
111.08085	6.0
111.11801	1.1
113.05983	2.2
117.07070	1.3
119.08596	13.4
121.10140	6.7
123.08072	1.1
123.11703	6.4
125.09632	1.3
125.13305	1.6
129.07004	6.3
129.88710	0.9
131.08568	6.7
133.06519	2.3
133.10133	5.8
135.11674	1.0
137.09653	1.2
137.13315	1.4
142.07832	1.2
147.08054	2.3
147.11705	12.2
149.09631	2.9
157.10117	7.0
165.12799	3.8
175.11221	9.4
193.10443	1.3
193.12257	41.1
211.13306	47.2
234.24666	0.9
239.23740	8.8
267.15964	6.7
313.27435	4.3
472.39597	1.0
505.38629	2.5
523.39984	100.0
524.40131	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03949	2.6
55.01871	1.6
55.05517	16.5
57.03445	6.3
57.07081	43.1
65.03929	1.6
67.05510	33.2
69.02914	0.9
69.03427	3.1
69.07071	11.6
69.23524	2.4
69.23921	8.0
71.04990	4.0
71.08636	32.1
79.05500	18.6
81.02935	1.1
81.03426	36.2
81.07063	41.3
83.04989	8.6
83.08624	26.6
85.02911	19.3
85.06552	2.4
85.10194	16.9
88.15864	0.9
89.06027	1.3
91.05488	23.7
93.07051	13.0
95.04984	17.4
95.08613	34.1
97.02853	1.5
97.06557	2.1
97.10168	7.3
98.20676	1.9
99.08095	1.6
105.07034	16.8
107.04961	4.0
107.08607	4.3
109.06534	2.6
109.10158	17.3
111.04447	2.4
111.08070	7.1
111.11700	2.3
113.06042	1.1
117.06976	1.7
119.04914	1.1
119.08590	13.6
121.10137	7.9
123.08082	1.2
123.11710	6.6
125.09662	1.3
129.07025	7.4
131.08589	6.0
133.06499	1.4
133.10150	6.8
135.57994	1.0
137.09726	1.3
137.13246	2.1
142.07835	2.5
143.08583	1.6
145.10164	1.8
147.08107	2.1
147.11710	11.4
149.09647	3.3
151.14912	1.1
155.08647	0.9
157.10153	9.9
159.02449	0.9
165.12804	2.7
175.11197	8.9
193.12257	39.8
211.13315	44.1
221.22844	1.5
239.23730	8.7
267.16000	7.8
281.17188	0.9
313.27365	6.8
331.05154	1.0
372.24411	1.2
444.00598	0.9
505.38943	4.2
523.39990	100.0
524.40216	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01869	1.7
55.05272	1.3
55.05519	17.7
57.03445	9.2
57.07081	46.0
65.03899	1.4
67.05513	30.6
69.03434	2.2
69.07075	12.0
71.04995	3.9
71.08638	33.3
74.81982	0.9
79.05496	17.8
80.55257	0.8
81.03424	43.7
81.07064	37.1
83.04998	8.6
83.08628	25.3
85.02914	22.5
85.03328	0.6
85.03429	1.1
85.06553	2.0
85.10188	17.2
89.77657	1.1
91.05490	25.2
93.07048	14.7
95.04982	16.5
95.08612	31.7
97.02879	2.0
97.06557	1.9
97.10193	9.3
99.11755	1.3
105.07034	17.7
107.04981	4.7
107.08609	7.0
109.06519	3.1
109.10165	14.8
111.04484	1.4
111.08109	6.8
111.11708	1.1
113.05992	2.8
116.06249	1.1
117.07052	2.3
119.08587	15.0
121.10161	8.6
123.08059	2.2
123.11702	7.7
125.13311	1.7
129.07036	8.1
131.08580	9.0
133.10155	7.6
137.13269	2.3
142.07811	2.0
147.08052	2.4
147.11716	11.6
149.09647	5.2
151.14847	1.4
157.10152	10.3
159.39142	1.0
165.12846	1.2
165.16423	1.3
175.11198	14.0
193.10440	1.8
193.12260	47.1
211.13318	47.2
229.14177	1.3
239.23720	8.8
267.15973	10.3
285.17093	1.1
313.27411	13.8
382.86026	0.9
386.47134	1.1
417.18637	1.0
486.86359	1.1
505.38678	3.8
523.40021	100.0
524.40240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01861	2.4
55.05519	28.1
57.03444	22.0
57.07081	77.9
60.75327	2.0
65.03928	3.9
67.05180	3.4
67.05511	50.2
69.03428	5.4
69.07073	17.2
70.07504	5.9
70.07879	4.2
71.05000	6.5
71.08242	2.4
71.08635	52.2
79.05495	26.8
81.03424	100.0
81.07061	62.5
83.04990	10.4
83.08624	41.5
85.02922	13.4
85.06544	5.5
85.10188	25.4
89.06046	4.9
91.05488	37.7
93.07052	20.4
95.04974	33.6
95.08617	49.7
97.02901	4.7
97.06531	2.9
97.10170	12.7
98.21442	2.2
99.11777	2.5
105.07034	26.5
107.04958	6.3
107.08607	9.3
109.06538	3.8
109.10152	22.8
111.04412	2.4
111.08123	9.8
117.07101	2.5
119.08585	22.9
121.06503	2.8
121.10147	12.0
123.08147	3.4
123.11717	9.1
125.13271	2.5
129.07013	15.8
131.08571	9.2
133.02963	2.0
133.06538	4.8
133.10149	10.1
135.11710	4.0
137.09630	3.6
137.13257	4.1
142.07744	4.8
147.07991	3.0
147.11693	15.0
149.09610	6.9
157.10126	10.4
163.11250	4.4
165.12738	3.5
175.11263	12.7
192.07971	1.8
193.12263	56.3
211.13290	36.6
227.12834	2.9
228.13208	3.5
229.13521	2.8
239.21564	2.0
239.23706	9.7
249.15031	3.2
267.15945	64.5
313.27408	69.2
317.70963	2.1
504.21255	2.1
505.38980	36.8
523.39911	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
54.59682	4.1
55.05514	24.1
57.03457	22.7
57.07076	55.5
57.15876	4.1
60.08157	8.1
65.03920	5.0
67.05512	46.6
69.07056	18.5
69.32394	39.6
71.08644	35.8
79.05500	26.9
81.03426	100.0
81.07066	53.4
83.04973	5.8
83.08629	31.4
85.02914	7.3
85.10213	21.4
86.09718	19.3
91.05493	27.3
93.07037	25.6
95.04976	27.5
95.08620	52.7
97.10159	6.9
104.10751	35.5
105.07004	17.3
107.04961	7.2
107.08582	8.4
109.10162	25.2
111.08064	10.0
117.06992	6.6
119.08569	14.8
120.52610	4.5
121.10143	10.5
125.00013	12.8
129.07014	13.0
129.79855	4.1
131.08557	15.1
133.06497	4.9
133.10179	9.8
142.07759	4.6
147.11673	10.9
149.09605	4.5
155.08546	5.1
157.10120	18.4
159.11699	5.7
169.10136	8.1
175.11189	11.7
183.11627	8.4
184.07370	40.7
188.35587	4.0
193.12273	64.1
199.14775	5.1
208.30183	4.5
211.13307	16.3
239.23793	4.7
267.15915	70.1
293.43472	4.2
313.27383	81.2
317.52667	4.1
451.97385	4.2
505.39066	36.4
514.46252	4.2
523.39465	54.5
524.36841	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01874	1.5
55.05510	19.9
57.03446	6.6
57.07078	42.2
57.32008	1.2
65.03935	2.6
67.05511	35.1
67.05876	1.7
67.51263	1.2
69.03410	2.8
69.07066	15.4
69.56537	8.8
71.04985	4.4
71.08630	28.3
78.17472	1.1
79.05496	18.3
81.02932	1.8
81.03418	35.6
81.07055	43.8
83.04999	8.3
83.08618	25.0
85.02902	20.5
85.06519	1.4
85.10191	16.0
89.06027	2.1
91.05480	18.4
93.07050	14.1
95.04965	16.0
95.08606	35.0
96.08960	1.3
97.02909	1.9
97.06543	3.0
97.10184	8.4
98.20797	2.2
105.07026	14.6
107.04961	3.1
107.08592	6.8
109.06538	1.7
109.10167	13.9
111.04449	1.8
111.08110	7.6
111.11764	2.2
113.05984	1.5
113.64937	1.3
114.24703	1.1
117.07034	2.4
119.08575	15.4
121.06539	1.1
121.10154	8.4
121.82030	1.3
123.11714	8.3
125.05936	1.2
125.13293	1.3
129.06992	6.3
131.08578	5.8
133.06560	1.6
133.10146	4.6
135.11679	2.0
137.09682	2.3
137.13269	2.3
142.07799	3.2
145.10158	2.3
147.08018	2.1
147.11693	14.8
149.09633	3.0
157.10152	6.8
163.11191	1.7
165.12747	4.5
175.11200	10.1
182.15298	1.4
193.12254	35.8
211.13286	40.2
216.90802	1.3
227.12935	2.2
228.13127	1.6
239.23657	5.9
267.15915	8.2
313.27185	6.2
449.34222	1.4
491.38812	1.3
505.38907	1.5
523.39911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
55.05507	26.9
57.03423	26.2
57.07085	61.8
63.18280	6.1
67.05511	46.9
69.07082	22.4
71.08634	47.6
71.51322	6.8
71.51761	11.3
78.13019	7.2
79.05512	31.0
81.02979	11.0
81.03410	100.0
81.07062	56.0
83.04964	7.6
83.08608	38.5
83.69288	5.9
85.02911	7.7
85.10159	25.0
91.05507	39.4
93.07029	33.4
95.04978	33.2
95.08610	45.0
97.10131	10.7
97.51699	6.7
104.55315	6.1
105.07053	48.3
107.08592	13.6
109.10142	20.0
111.08077	15.8
117.07030	8.1
119.08562	24.3
121.10152	8.9
121.85580	6.2
123.11680	11.4
123.14600	6.7
129.07042	13.3
131.08612	14.1
134.78133	6.5
147.11708	17.9
155.08414	7.1
157.10168	18.3
175.11229	14.2
193.12259	76.1
197.13303	6.4
207.11726	8.4
207.50957	7.3
211.13297	27.6
239.23657	11.5
239.64745	6.8
267.15936	78.9
313.27313	82.8
505.39267	47.4
523.40686	45.3
524.46619	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05500	2.4
57.03430	0.8
60.39697	0.9
65.03934	2.6
67.05505	5.6
69.03435	2.6
69.07066	2.9
69.72923	5.6
70.06604	1.1
71.04995	2.0
71.85941	1.0
79.05505	3.1
81.03433	5.9
81.07053	5.2
83.04993	1.4
83.08624	1.1
85.02882	2.0
91.05466	2.1
93.03408	2.1
93.07050	3.7
95.04972	1.6
95.08615	7.3
96.84423	0.8
97.02916	1.9
97.06498	1.8
99.04467	1.0
99.08109	1.1
105.07021	1.8
107.08613	3.9
108.02129	1.0
109.02872	1.7
109.06532	2.3
109.09467	1.7
109.10165	19.9
111.04451	3.4
112.56129	0.8
119.08589	7.0
121.06501	1.1
121.10155	3.3
123.04439	3.4
123.08063	2.9
123.11708	1.9
125.05994	2.9
125.09667	0.9
127.03870	0.9
133.10124	4.0
135.11700	16.3
137.06001	1.6
137.09653	4.2
139.03915	2.1
147.11732	1.5
149.13268	1.1
151.03914	100.0
151.04984	5.4
151.11205	2.0
151.14851	2.6
161.05940	1.0
161.09755	1.1
169.04951	9.9
174.19005	0.9
175.14865	6.4
193.15887	12.2
211.16937	14.4
227.12753	1.5
253.06950	0.9
283.72440	0.9
295.08060	6.3
313.09134	5.3
457.21103	0.8
523.27893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2177
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
55.05493	2.4
67.05494	3.4
69.03438	6.8
70.06602	6.5
71.10198	2.4
71.10570	1.5
79.01859	3.3
79.05498	7.3
81.03412	6.8
81.07051	8.9
83.04989	2.3
85.02895	4.7
91.05473	7.0
92.47405	1.2
93.07058	3.8
95.08567	1.8
97.02893	4.7
99.08134	1.3
105.07017	9.2
107.04969	3.6
107.08594	19.4
109.02874	4.9
109.06533	5.1
109.10171	6.7
115.05437	2.5
116.01675	1.6
117.07009	2.3
119.08559	4.5
120.08111	2.1
121.06544	1.3
121.10165	9.6
122.07289	4.7
123.04438	1.4
123.86040	1.2
124.08267	1.3
125.02393	3.4
127.03936	7.6
127.72729	1.3
131.08554	2.6
131.23676	1.2
133.10136	99.5
135.08072	9.6
137.05966	1.6
137.09618	53.0
139.03923	1.7
143.03384	4.8
147.11655	3.1
149.09698	1.5
149.13243	8.3
151.03882	1.9
153.01837	100.0
153.02907	4.6
158.10860	1.5
163.14742	2.2
170.90511	1.2
171.02864	11.6
173.13260	5.7
191.14316	49.7
209.15399	2.4
219.10097	1.6
229.15503	2.8
297.05981	7.3
315.07172	13.0
492.28836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
59.71139	2.3
66.59277	2.3
67.05512	5.3
69.03432	9.8
69.07094	2.3
69.91092	11.3
70.18548	2.3
76.65905	2.2
79.05486	8.3
81.03424	6.4
81.07056	10.6
83.04974	3.2
85.02900	3.4
91.05492	7.7
93.07077	4.0
95.08605	5.0
97.02913	4.5
97.06543	2.5
105.07053	9.7
107.04945	7.9
107.08600	24.9
109.02847	4.1
109.06498	3.6
109.10152	9.2
110.18249	2.5
115.05464	5.0
116.01700	3.0
117.07027	5.3
119.04944	2.3
119.08604	4.5
121.06563	3.0
121.10159	10.9
121.71772	2.9
122.03709	5.9
122.07307	6.9
123.04462	11.7
125.02335	2.7
127.03934	6.7
129.07005	2.7
131.04996	4.6
131.08519	3.5
133.10136	100.0
135.08054	8.3
135.11690	3.4
137.05983	59.9
137.09630	57.9
139.03894	4.7
145.04971	2.7
149.13255	6.8
151.03928	6.6
151.07568	5.0
153.01834	99.2
153.02846	5.4
157.06522	3.2
161.06004	7.3
161.09686	2.7
163.03928	3.3
163.07561	6.5
167.07072	6.0
171.02873	9.0
173.13348	4.3
175.07620	2.9
177.07011	2.8
181.08586	5.6
191.14317	54.7
205.06482	2.3
209.15321	4.1
211.07590	2.6
219.10136	3.7
283.09558	2.4
285.11249	2.3
297.06042	10.8
297.11072	3.2
315.07135	13.3
317.13870	4.3
454.62982	3.0
523.21680	3.4
527.11194	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	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28409	0.3
55.05524	1.7
56.05028	1.5
57.03438	0.5
57.07073	0.4
58.06619	1.3
60.08165	16.7
61.97233	0.3
67.05502	1.9
69.07075	2.1
69.25438	0.6
69.25847	2.5
70.06583	0.3
71.07376	6.3
76.22861	0.3
79.05482	1.0
81.07048	1.5
83.04979	0.3
83.08627	1.5
86.09709	51.6
91.05463	0.4
93.07051	0.8
95.08615	1.5
97.10162	0.9
98.98457	4.4
104.10746	100.0
109.10144	0.5
121.10113	0.4
125.00008	30.7
163.01544	0.4
166.02803	0.4
181.02701	0.4
184.07344	99.4
193.39952	0.3
197.18204	0.4
229.49889	0.3
258.11014	1.6
281.19986	0.3
339.28903	0.9
445.26776	0.5
504.34546	7.6
522.35535	26.1
523.35773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05508	2.3
56.05032	1.2
57.03450	0.5
57.07070	1.0
58.06575	1.3
60.08167	17.2
67.05508	2.4
69.07066	2.5
71.04971	0.3
71.07375	6.5
71.08640	0.4
73.34787	0.2
79.05508	1.4
81.07059	1.8
83.04980	0.3
83.08638	1.5
86.09708	53.0
87.10052	0.3
89.06030	0.3
91.05472	0.7
92.37144	0.3
93.07063	1.1
95.08588	1.6
97.06559	0.3
97.10188	1.1
98.98464	4.4
104.10747	89.1
105.07030	1.0
105.11086	0.3
107.08582	0.6
109.10172	0.8
118.05547	0.3
119.08598	0.5
121.10153	0.8
125.00010	29.0
131.08594	0.3
133.83545	0.3
135.11681	0.5
143.01115	0.3
145.10289	0.3
146.25700	0.3
163.01596	0.8
184.07346	100.0
209.11745	0.5
210.12071	0.7
227.12769	0.4
258.11069	0.8
339.28958	1.3
504.34497	7.3
522.35504	23.3
523.35577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
56.05038	0.6
57.03415	0.2
58.06633	0.4
59.07409	0.1
60.08165	6.5
67.05500	0.5
67.94186	0.1
69.07060	0.3
69.79147	0.7
71.07379	3.2
78.76061	0.1
79.05512	0.2
81.07057	0.6
83.08625	0.3
86.09708	31.4
93.07055	0.3
95.08625	0.2
97.10193	0.1
98.98470	3.2
104.10744	3.0
105.07081	0.2
118.96964	0.1
121.10195	0.1
125.00007	23.1
134.85979	0.1
182.10602	0.1
184.07344	100.0
185.07632	0.6
229.60483	0.2
256.67334	0.1
258.11057	0.2
339.28894	0.1
399.68408	0.1
504.34543	1.0
522.35681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
56.70613	0.8
57.07050	1.3
60.08163	6.3
61.76723	0.9
67.05515	5.9
69.07057	2.4
71.07371	2.6
71.51252	1.1
73.62746	0.9
73.67590	1.0
79.05495	7.4
81.07067	6.4
83.08616	1.5
86.09711	29.0
91.05494	4.8
93.07035	6.0
95.04964	1.5
95.08598	3.2
98.98457	3.3
104.10730	2.5
105.07019	5.4
107.08595	1.8
109.10170	2.0
117.06961	1.2
119.08571	2.4
121.10117	1.9
125.00011	18.4
143.08595	1.8
147.11671	2.8
157.45801	1.0
171.11655	2.8
174.51433	1.1
184.07352	100.0
193.12207	1.2
202.16629	1.0
207.13789	2.3
281.17419	4.3
291.13770	1.1
487.30612	6.1
504.34604	1.3
522.36420	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	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67148	0.6
53.03917	1.7
55.01860	2.5
55.05515	10.6
57.03418	1.0
57.07079	25.8
65.03929	1.0
67.05511	19.3
69.03413	0.9
69.07067	8.1
70.08074	2.5
71.04993	2.7
71.08638	17.0
73.02905	1.3
79.05499	18.5
81.03409	1.8
81.07060	22.7
82.63499	0.5
83.04952	1.9
83.08630	10.6
85.02862	0.6
85.10181	9.4
91.05490	7.0
93.07047	28.4
95.04977	5.4
95.08611	38.0
97.02883	2.3
97.06506	2.2
97.10188	3.4
99.04447	3.1
99.11720	0.8
103.05421	0.8
105.07039	5.5
107.04955	6.4
107.08603	22.3
109.06527	1.4
109.10163	7.8
111.04464	1.4
111.08012	0.9
111.11681	0.6
117.07027	6.2
119.08591	7.4
119.38149	0.5
121.06526	5.5
121.10158	8.4
123.11707	1.9
124.64417	0.5
125.05963	2.0
125.13265	0.6
128.06180	0.6
129.07040	1.0
130.07767	1.3
133.10144	1.4
135.08081	1.4
135.11697	33.3
137.13211	1.4
139.07544	1.3
145.10127	19.9
153.08080	0.6
153.12808	0.7
163.11192	48.0
181.10777	1.1
181.12234	11.7
209.11746	2.5
227.12798	100.0
239.23817	2.8
335.14288	0.6
521.38409	56.1
522.38574	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07513	1.5
57.03425	5.6
67.05498	3.1
69.03427	22.2
69.07072	3.7
71.04992	48.0
71.51345	2.0
79.05488	4.4
81.03414	5.5
81.07039	8.3
85.02908	14.0
87.04472	14.6
91.05466	5.6
93.07037	4.5
95.04962	2.8
95.08609	3.9
97.02897	17.4
99.46101	1.7
105.07028	7.9
107.08611	5.8
109.06519	1.8
115.03944	17.1
119.08551	4.4
119.69760	1.8
121.06516	2.7
121.10146	24.4
123.04440	15.1
123.08102	2.1
123.11712	38.1
127.03930	2.0
133.04953	13.2
133.10121	5.6
135.11632	1.8
137.05936	4.0
137.09567	2.5
139.03889	6.7
140.77223	1.7
145.04919	2.5
147.04388	2.2
147.11659	2.0
151.03908	35.7
151.11183	6.6
154.04990	2.0
161.06018	2.2
163.03870	4.2
165.05495	2.9
165.12704	5.1
175.14847	7.0
193.15887	100.0
211.16940	64.1
219.10175	26.5
229.17946	2.2
271.19547	1.6
331.04044	2.2
369.13138	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	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01848	2.4
55.05511	15.3
57.03413	1.1
57.07078	23.5
58.41613	0.7
65.03923	1.6
67.05507	23.9
69.03419	1.3
69.07067	10.3
70.07984	2.6
71.04951	1.9
71.08636	18.4
71.58390	0.6
73.02895	1.4
77.03889	0.7
79.05492	24.1
81.03391	2.9
81.07059	26.5
83.04957	3.1
83.08160	1.1
83.08621	14.2
85.02876	0.7
85.06523	1.6
85.10184	7.4
87.81805	0.7
91.05489	9.8
93.07048	29.8
95.04969	4.6
95.08611	41.9
97.02857	3.3
97.06534	3.9
97.10175	4.4
99.04433	2.8
99.11683	0.9
103.05409	1.3
104.07738	0.7
105.07035	8.4
107.04956	6.2
107.08605	18.7
107.95174	0.7
109.06500	2.2
109.10168	10.6
111.04413	1.7
111.11674	1.0
117.07038	9.4
119.08590	8.4
121.06490	3.5
121.10154	10.8
123.08073	0.7
123.11683	2.7
125.05991	1.5
125.13275	0.7
129.06982	0.9
130.07751	1.3
131.08533	0.8
133.10123	3.2
135.08047	2.0
135.11696	33.4
135.12730	1.7
139.07523	1.2
143.08565	1.5
145.10135	23.6
147.87071	0.7
151.14896	0.7
153.12737	1.1
163.11189	49.2
173.09650	1.0
181.12233	12.3
191.10591	1.3
209.11736	5.1
210.44434	0.8
211.13210	0.9
227.12793	100.0
228.13100	0.9
239.23714	4.8
265.14450	1.1
293.21027	0.9
304.20004	0.8
448.69022	0.8
519.91583	0.8
521.38446	66.2
522.38367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.1
55.01872	4.1
55.05513	12.0
57.03402	2.4
57.07077	24.3
58.13661	0.6
58.45208	0.6
58.79475	0.5
65.03916	1.7
67.05507	29.7
69.03384	1.3
69.07072	9.2
70.08160	2.7
71.04980	1.5
71.08633	17.4
73.02891	1.0
78.05650	0.6
79.05495	23.7
81.03380	2.1
81.07059	27.8
83.04979	4.5
83.08625	12.6
85.06528	0.8
85.10184	9.1
91.04974	0.8
91.05475	8.9
93.07047	30.2
95.04986	5.8
95.08607	44.1
97.02856	2.6
97.06548	3.7
97.10165	4.6
99.04440	3.8
99.11676	1.0
105.07028	8.5
107.04964	7.5
107.08602	21.2
109.06490	2.1
109.09480	1.0
109.10160	14.8
111.04436	1.3
111.08027	0.9
117.07003	7.2
119.08569	9.4
121.06531	5.1
121.10152	10.4
123.11684	2.5
125.06018	3.2
125.13250	0.7
130.07788	1.7
131.08612	0.8
133.10127	3.6
135.08038	1.8
135.11694	35.9
137.13240	1.0
139.07530	1.1
143.08543	1.5
145.10127	21.8
147.11714	1.1
149.09586	1.4
153.12717	1.3
155.08615	1.1
163.11182	47.4
169.10139	0.7
173.09569	0.8
173.11691	0.9
181.12239	9.9
209.11766	4.7
227.12787	100.0
228.13086	1.0
229.14278	2.1
239.23695	2.7
275.20099	3.5
293.21143	2.4
349.23938	1.0
503.33960	0.8
521.38489	51.3
522.38348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47225	1.2
51.86610	1.1
53.01733	1.2
53.03955	6.3
54.19172	1.2
55.01869	2.8
55.05513	37.1
55.78341	1.1
57.03426	3.6
57.07077	14.2
58.64211	1.1
59.04982	1.3
59.55032	1.3
65.03927	2.3
67.05510	52.3
69.07072	40.2
71.04996	3.3
71.08640	7.8
71.51073	1.9
79.05495	27.5
81.03429	3.7
81.07061	100.0
83.05000	7.1
83.08624	25.2
85.06525	6.4
85.10179	3.2
88.41029	1.3
89.71228	1.2
91.05483	22.2
93.07050	29.4
95.04979	4.0
95.08609	41.4
96.47787	1.4
97.06554	7.3
97.10168	11.1
99.08091	2.4
105.07038	29.4
107.04964	3.7
107.08594	18.2
109.06508	3.3
109.10169	12.8
111.04486	2.3
111.08101	2.8
111.11716	3.2
113.06044	1.3
115.62220	1.2
117.07044	2.8
119.08586	22.1
121.10149	34.8
123.08089	4.3
123.11715	25.8
125.09683	1.5
127.07572	3.7
131.08601	2.6
133.10127	3.5
135.11711	12.7
137.13284	4.9
139.11145	2.0
145.10127	4.8
147.10507	2.7
147.11693	50.2
149.13286	3.4
153.12695	2.2
160.96991	1.4
163.11165	6.4
165.12762	30.3
181.12265	1.5
183.13800	6.5
191.10748	1.5
193.12270	2.5
209.11685	6.0
211.13402	1.6
219.21169	3.7
227.12836	8.1
229.14461	5.6
237.22128	9.2
267.15942	39.2
285.17184	1.7
311.26013	1.5
313.27347	1.6
347.93875	1.3
369.01303	1.4
521.38477	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01875	3.1
55.05516	38.2
57.03445	8.0
57.07077	13.2
65.03946	3.4
67.05511	59.6
68.05878	1.4
68.06268	1.2
69.03405	3.4
69.07072	36.1
69.27012	7.6
69.27435	4.3
71.04984	5.0
71.08632	9.7
79.05499	33.8
81.03425	40.8
81.07064	58.8
83.04979	10.8
83.08626	34.4
85.02908	20.2
85.06548	2.8
85.10196	3.0
91.05484	29.0
93.07047	31.4
94.10853	1.4
95.04989	18.1
95.08614	39.4
95.23556	1.3
97.02895	4.3
97.06535	7.4
97.10173	14.1
99.08096	2.6
105.04455	1.3
105.07039	25.8
107.04955	8.4
107.08596	17.2
109.06532	3.8
109.10163	20.7
111.04482	6.2
111.08089	12.1
111.11748	5.0
111.65981	1.2
113.06010	2.8
117.07042	4.7
119.08595	16.4
121.06512	2.1
121.10152	25.7
123.08103	3.6
123.11725	8.0
125.09640	4.3
129.07016	8.6
131.08583	7.6
133.06566	1.6
133.10143	7.3
135.08093	1.8
135.11705	15.7
137.13315	3.7
139.11128	1.4
142.07791	2.0
145.10136	7.1
147.08061	3.7
147.11688	10.4
149.09636	4.9
149.13258	3.6
153.12782	1.5
157.10143	8.4
163.11195	6.2
173.09654	2.4
175.11227	10.1
183.11650	1.3
191.08961	1.4
191.10728	4.3
193.10471	2.2
193.12256	38.6
209.11740	11.8
211.13287	37.5
211.15271	2.0
219.21021	3.0
223.06407	1.6
227.12778	9.3
229.14413	2.4
237.22163	7.4
265.14340	2.3
267.15973	3.3
275.20139	1.7
311.25897	3.3
313.27435	2.4
349.23755	1.8
434.38034	1.7
503.37180	6.1
521.38458	100.0
522.38708	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	521.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05512	1.7
55.15808	0.8
65.03931	3.2
67.05496	3.6
69.03423	3.7
69.07050	1.4
70.56850	2.7
71.04993	2.6
71.28613	0.8
79.05486	3.7
81.03414	3.8
81.07068	5.2
84.46600	0.9
85.02903	4.5
91.05473	3.6
93.03419	2.2
93.07032	1.7
95.04985	2.0
95.08598	2.6
97.02910	2.5
97.07623	0.9
99.04501	1.2
105.07049	4.4
107.04979	1.3
107.08602	8.0
108.02103	1.4
109.02848	2.1
109.06508	2.4
109.10153	5.3
111.04441	2.5
119.08590	1.4
120.02163	0.9
121.10138	5.3
122.07283	2.7
123.04417	2.3
125.06014	2.5
127.03863	1.1
133.10138	36.8
135.08096	4.8
135.11713	0.9
137.05968	2.1
137.09627	20.2
141.05501	1.7
143.08591	1.0
147.11668	0.9
149.13298	4.8
151.03915	100.0
151.05008	6.5
152.04277	1.2
163.14796	1.1
169.04997	14.1
173.13290	1.4
191.14311	14.6
295.08133	5.8
313.09122	7.5
425.61343	0.9
456.97928	0.9
514.38556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
61.02920	1.2
65.03931	3.3
67.05508	3.2
69.03430	3.7
69.07072	2.5
70.06604	1.6
71.51356	1.6
71.60175	1.0
75.39291	1.1
79.05495	3.6
79.65255	1.1
81.03426	5.2
81.07060	4.8
83.05009	1.6
85.02902	2.3
91.05465	5.7
93.03400	3.0
93.07053	3.5
93.49946	1.1
95.04932	1.6
95.08598	2.3
97.02882	2.8
97.06535	1.9
105.07039	5.3
107.04952	4.6
107.08599	9.6
109.02854	2.2
109.06509	3.0
109.10149	3.4
111.04453	4.2
114.10309	1.4
119.08588	3.5
121.02903	1.2
121.06525	2.7
121.10133	4.8
122.07291	2.3
123.04453	3.7
125.05988	3.6
127.03912	1.3
131.08606	2.2
133.10144	38.1
135.08063	4.4
137.06015	6.3
137.09631	21.7
139.03911	2.5
141.05511	1.3
145.10126	2.5
149.13246	3.3
151.03923	100.0
151.05020	5.7
152.04138	1.3
161.06001	3.7
162.05803	1.2
165.07094	1.5
167.06984	1.6
169.04984	8.1
177.05482	1.5
191.14313	15.2
198.82320	1.2
226.70674	1.2
283.93701	1.5
295.08124	4.7
297.11240	2.0
313.09137	7.7
445.82199	1.4
521.18280	1.4
521.32904	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	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05035	0.6
57.03455	0.2
58.06630	0.5
59.07386	0.2
60.08167	6.2
67.05514	0.8
69.07073	0.3
71.07379	3.0
74.54667	0.1
79.05503	0.3
79.47289	0.1
81.07065	0.6
83.08624	0.1
86.09711	31.0
87.10060	0.2
91.05477	0.1
93.07059	0.2
95.08619	0.4
98.98473	3.2
104.10753	2.8
105.07030	0.2
107.08585	0.1
109.10172	0.2
125.00013	20.5
128.88788	0.1
148.99933	0.1
156.55702	0.1
184.07352	100.0
185.07713	0.3
258.11026	0.2
390.48853	0.1
502.33133	1.1
520.33923	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	520.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
55.72306	0.4
56.05029	1.2
58.06573	1.7
59.07394	0.4
59.85472	0.4
60.08167	17.6
67.05505	3.8
69.07076	1.8
71.07376	7.3
71.16056	0.4
71.16391	0.6
78.43092	0.4
79.05494	1.3
81.07051	3.8
81.08942	0.3
85.99138	0.3
86.09708	51.4
87.91763	0.4
91.05486	1.3
93.07053	1.5
94.98972	0.4
95.08607	2.2
98.98463	4.2
104.10748	98.8
105.07017	0.4
107.08605	0.6
109.10126	0.5
119.08591	0.4
121.10192	0.5
122.12623	0.3
124.05293	0.3
125.00008	30.7
163.01633	0.5
184.07346	100.0
185.07712	0.3
255.05826	0.4
258.11066	1.3
273.18304	0.3
337.27264	0.7
441.31885	0.4
443.25879	0.5
498.06543	0.4
502.32938	8.7
520.33997	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	520.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
55.05508	4.0
55.79865	1.2
56.05034	5.0
57.03439	3.3
58.99588	14.4
61.01151	1.1
67.05511	14.6
67.74490	1.1
68.05020	2.4
69.03432	1.6
69.07071	4.6
70.05692	3.8
70.06603	1.6
71.04998	17.2
73.01144	1.3
73.08060	1.0
74.00671	1.4
76.02235	27.6
76.04034	1.5
77.82978	1.3
79.05498	9.1
80.05000	1.4
81.03434	1.5
81.07061	15.8
83.04990	4.6
83.06099	2.2
83.08621	2.6
84.04514	9.8
85.01138	1.3
85.02908	23.9
86.00661	7.2
86.99049	4.3
87.02689	1.9
87.04485	1.5
88.02225	2.7
91.05486	8.7
93.07055	12.1
94.06575	2.5
95.04966	1.5
95.08606	6.2
96.72240	1.2
97.01150	7.8
97.02926	1.3
97.06551	5.8
99.08170	1.2
101.00640	1.2
102.05550	4.7
103.05504	1.9
105.07027	4.4
107.04962	3.0
107.08596	7.6
109.06523	1.4
109.10146	1.4
110.01260	1.3
110.15871	1.2
111.02687	6.7
111.08067	1.6
113.00529	1.1
113.04218	1.0
115.07585	2.3
116.01685	22.9
117.07040	3.9
119.08624	1.6
121.06521	3.8
121.10154	3.3
123.02689	1.8
123.04465	3.1
123.11723	1.8
129.05487	7.5
129.06628	3.6
130.05011	4.8
131.08565	4.4
133.10196	7.6
135.08102	1.9
135.11708	3.9
137.04204	2.2
137.05975	2.1
139.03920	2.5
142.03227	3.2
143.02727	1.7
144.01158	9.1
145.06082	1.6
147.04355	1.5
147.06534	2.7
147.11716	2.7
148.04733	1.3
149.13297	7.2
151.03954	6.2
151.11201	2.7
152.04272	1.5
154.05099	1.5
154.06270	4.8
159.11716	4.6
162.02217	19.0
163.03897	1.3
163.07521	5.6
164.09232	1.9
173.13304	4.2
175.07538	1.2
177.12785	5.2
179.04861	20.0
181.28259	1.2
187.05309	2.1
191.08878	1.5
191.14262	3.3
194.15317	2.3
195.10216	12.6
195.13809	8.8
199.07339	1.4
201.12729	1.4
205.08815	1.6
212.16435	3.2
213.14868	2.9
218.15445	1.6
219.10130	2.4
219.13893	1.8
220.10590	1.7
221.10800	1.2
224.16531	2.2
226.12613	4.0
233.06006	1.8
235.11594	1.5
236.16496	1.5
244.13605	2.6
245.05916	2.3
252.14127	7.6
253.12508	2.4
259.11047	2.1
270.15030	20.4
281.42374	1.1
288.16275	17.6
305.13666	1.7
308.09036	2.6
312.12656	3.5
327.17340	1.3
340.15488	1.3
355.17130	1.8
373.17926	100.0
374.18323	3.3
391.18915	3.9
427.19284	2.1
445.20059	6.1
520.23883	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	519.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
51.02376	1.2
53.00301	0.7
53.03947	6.3
55.01867	2.6
55.05514	25.8
57.03439	1.7
57.07080	53.5
65.03947	4.4
67.05510	65.0
69.03424	0.9
69.07072	21.5
71.04998	2.4
71.08636	35.7
71.42329	0.7
73.06552	1.9
77.03938	1.4
79.05499	64.8
80.05827	0.7
81.03423	7.4
81.07063	60.9
83.04985	10.7
83.08628	20.4
83.09124	1.1
85.06544	2.7
85.10191	20.6
91.05487	54.6
93.07051	52.3
95.04378	0.9
95.04980	17.5
95.08614	53.5
97.02880	1.3
97.06535	3.4
97.07086	0.6
97.10179	10.8
99.11735	1.2
103.05465	1.0
105.04549	3.0
105.07037	36.7
107.04966	5.5
107.08598	14.9
109.06524	5.8
109.09612	0.4
109.10165	18.4
111.08075	1.8
111.11729	2.3
115.05461	1.5
117.07027	8.9
119.08588	21.9
121.06502	2.9
121.10168	4.0
123.08068	5.3
123.11705	6.7
125.13300	1.1
127.07539	1.3
127.87587	0.6
128.06210	3.1
129.07013	14.7
130.07857	1.0
131.08566	1.9
133.06508	1.3
133.10149	9.1
135.08038	1.1
135.11708	3.3
137.09813	0.7
137.13280	2.3
141.09103	0.7
143.08582	7.1
145.10132	9.8
147.08057	2.7
147.11696	34.8
151.14890	0.7
159.11713	1.1
161.09634	6.0
161.13277	13.0
165.16429	0.8
171.11696	26.7
179.14330	0.9
189.12750	12.0
207.13823	31.1
221.22809	1.0
225.14905	2.4
239.23723	8.3
281.17465	1.5
313.27377	1.3
519.40503	100.0
520.40735	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.6
51.02377	1.5
53.03949	5.8
55.01866	2.1
55.05517	21.8
57.03437	1.5
57.07081	44.0
59.04968	0.6
62.73538	0.6
64.99258	0.7
65.03950	3.0
67.05511	54.7
69.03434	1.2
69.06732	1.0
69.07076	16.7
71.04975	1.8
71.08638	34.1
71.51516	1.0
73.06559	1.0
76.64541	0.6
77.03884	0.8
79.05501	56.4
81.03432	5.8
81.07063	51.1
83.04997	10.6
83.08151	1.1
83.08630	17.5
85.06544	2.8
85.10191	17.8
91.04897	1.3
91.05489	43.0
93.07051	46.2
94.07319	0.6
95.04979	16.2
95.08614	47.9
97.06538	3.6
97.10177	10.3
99.08106	1.1
99.11737	1.5
103.05463	1.0
105.04522	2.0
105.07042	31.5
107.04952	3.8
107.08596	10.5
108.06876	0.6
109.06528	4.6
109.10162	17.7
111.08109	1.1
111.11705	2.2
117.07049	6.2
119.08597	17.9
121.06499	2.1
121.10130	3.4
123.08079	4.0
123.11725	7.2
125.13285	0.9
127.07587	1.2
128.06236	2.1
129.07021	11.4
130.07875	1.0
131.08623	3.0
133.10146	7.9
135.08057	1.0
135.11703	2.2
137.13271	1.8
141.09180	1.1
143.08583	6.3
145.10147	7.9
147.08052	2.3
147.11697	31.8
148.73366	0.7
149.13321	0.7
151.14903	1.2
156.09410	0.7
159.11719	0.8
161.09660	3.2
161.13264	9.6
163.11259	0.8
171.11711	26.1
172.07585	0.7
179.17993	0.6
184.19713	0.7
189.12770	12.4
207.13824	30.2
221.22798	0.9
225.14894	5.8
239.23721	7.6
263.16544	0.9
281.17551	2.6
299.73087	0.6
313.27310	1.1
359.05975	0.5
511.30658	0.7
519.40503	100.0
520.41125	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	519.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89925	0.7
53.03939	2.6
55.01863	2.9
55.05512	24.9
57.03424	3.4
57.07072	4.8
65.03932	1.8
67.05507	35.1
69.03420	1.5
69.07070	21.8
69.66552	4.7
71.04981	3.3
71.08614	2.9
73.02916	1.9
79.05492	32.7
81.03417	2.4
81.07059	38.7
83.04974	3.7
83.08623	18.0
85.06552	1.5
89.15783	0.7
91.05466	12.3
93.07047	44.2
95.04958	6.4
95.08608	45.3
97.01098	0.8
97.02882	3.3
97.06561	4.8
97.10171	8.7
99.04453	3.4
99.08063	1.2
103.05465	1.2
105.04552	1.1
105.07029	9.1
107.04961	8.5
107.08591	25.9
109.06535	2.0
109.10139	8.3
111.04428	1.0
111.08076	2.2
111.11705	2.1
113.05996	0.9
117.07023	8.6
119.08568	9.5
121.06532	4.9
121.10143	18.8
123.08115	0.9
123.11706	2.9
125.06001	1.5
125.09573	1.3
125.48746	0.8
129.52657	0.9
130.07777	1.8
131.08632	1.3
133.10098	3.6
135.08081	1.7
135.11691	44.4
137.13255	2.3
139.07535	1.4
139.11125	1.1
141.07114	0.9
143.08557	1.0
145.10118	25.9
147.08043	1.0
147.11716	1.8
149.13254	3.0
163.11179	49.6
181.12239	11.8
183.85640	0.7
209.11757	3.0
219.21066	1.4
227.12782	100.0
228.13112	1.7
237.22076	4.8
287.06729	0.7
519.36768	51.0
520.36200	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26105	0.3
69.03430	1.0
69.68325	1.2
69.68736	1.0
70.06601	0.5
73.04790	0.7
79.05466	0.3
80.51706	0.3
81.07037	0.6
85.02917	1.3
93.07021	0.6
97.02886	0.8
103.99579	0.4
105.01890	0.4
123.04460	1.1
127.03862	0.4
137.06027	0.7
139.03877	0.6
147.04420	0.5
151.03918	0.5
157.27640	0.4
167.05556	0.5
176.14391	0.8
184.82448	0.4
188.36267	0.4
219.10150	0.4
259.07999	1.3
283.06274	1.1
283.15097	0.5
299.06152	1.0
335.12738	0.4
339.18024	0.6
357.18796	2.6
459.21863	0.7
469.20654	0.6
487.21600	1.4
501.23373	0.9
519.24170	100.0
520.24762	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	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
55.67535	0.3
56.05027	1.3
57.03438	0.5
58.06604	1.3
59.07384	0.3
60.08167	17.3
67.05505	3.4
69.07068	1.1
71.07375	7.3
74.80112	0.3
79.05497	2.4
81.07056	3.4
83.08624	0.4
86.09711	50.4
91.05467	1.3
93.07042	2.8
95.08612	1.8
97.10152	0.3
98.20744	0.8
98.98473	3.8
104.10748	100.0
105.07034	0.7
105.11082	0.5
107.08597	0.9
109.10164	1.1
119.08598	0.8
125.00011	29.5
131.08594	0.8
145.10094	0.5
147.11687	0.6
159.11728	0.4
163.01576	0.7
184.07347	98.1
185.07643	0.4
229.42722	0.4
258.10977	1.2
291.19632	0.4
335.25897	0.5
345.23428	0.3
397.00772	0.3
500.24524	0.6
500.31342	7.3
518.32410	22.0
519.32776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50556	0.1
54.98086	0.1
55.05521	0.2
56.01131	0.1
56.05033	0.6
57.03426	0.1
58.06635	0.5
59.07394	0.2
60.08167	6.5
67.05510	0.8
69.07063	0.2
69.28822	0.9
71.07378	3.7
79.05502	0.5
81.07047	0.7
86.09711	32.5
90.68561	0.2
91.05487	0.4
93.07048	0.5
95.08607	0.3
98.98473	4.0
104.10738	2.7
105.07061	0.2
107.08571	0.3
115.30109	0.1
125.00012	24.0
135.31000	0.1
143.01007	0.2
184.07350	100.0
185.07628	0.4
255.15999	0.1
258.10849	0.2
335.26123	0.2
500.31363	0.9
518.32294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01590	1.0
54.05918	0.8
68.99796	1.6
70.91179	2.2
70.91521	1.4
81.03439	1.0
81.07046	4.2
84.04498	1.1
95.04999	1.4
109.02889	2.0
109.10181	1.2
116.23335	1.1
119.04944	3.2
123.04443	16.5
123.08121	1.2
135.04404	0.9
137.06017	1.1
139.03909	1.0
147.04443	7.5
148.06058	0.9
149.06000	2.0
151.03915	88.3
152.04260	3.4
161.06021	1.1
163.03973	2.2
165.05498	6.1
177.05489	3.9
177.09206	0.9
180.46198	0.9
201.09210	1.3
219.10178	100.0
220.10507	8.5
274.44653	0.9
302.83136	1.2
303.08755	2.8
326.90347	1.0
371.15002	8.9
372.15384	1.1
435.33929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07098	1.3
69.70504	6.5
72.89341	1.1
79.05505	2.2
81.07047	2.8
90.35678	1.2
91.05503	2.3
95.05016	1.6
95.08561	1.5
109.02910	2.7
119.04964	2.1
123.04436	17.0
131.08684	1.3
135.04451	1.6
144.07315	1.2
147.04398	7.6
149.06017	1.8
151.03912	82.6
161.06024	2.2
163.03923	3.1
164.12083	1.4
164.17432	1.3
165.05507	8.1
177.05493	5.1
177.08850	1.8
209.82761	1.3
214.13763	1.3
219.10184	100.0
220.10504	1.3
294.84677	1.4
303.08673	4.0
371.14984	6.8
382.59589	1.3
403.88449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55509	0.5
53.03941	0.8
55.01852	1.2
55.05502	0.7
57.07063	0.6
63.02148	0.5
65.03932	0.7
67.05508	1.1
68.99809	1.3
69.07050	0.6
70.06586	1.4
70.14460	1.6
70.14843	1.0
71.04990	1.5
79.05486	1.9
81.03442	0.7
81.07047	3.8
84.04493	3.5
85.02905	3.1
87.04450	0.5
88.91154	0.5
91.05490	13.0
93.07069	1.4
95.04980	1.5
95.08607	1.6
97.02870	0.8
97.06470	0.7
105.07033	0.8
107.04950	1.2
107.08548	0.8
108.53902	0.6
109.02879	1.6
109.06563	0.7
109.10139	1.9
117.07028	0.8
119.04939	3.3
121.06493	1.2
123.04430	14.8
123.08081	1.4
125.02334	0.9
130.05014	3.9
131.08553	0.9
132.95712	0.6
135.04420	2.0
137.06017	1.0
139.03874	2.0
145.10129	1.0
147.04414	10.3
147.07645	3.9
149.05974	2.5
149.09552	1.1
151.03908	81.9
153.01794	0.7
155.08653	0.8
159.04424	0.7
161.05945	0.9
163.03920	2.8
165.05470	7.1
175.07581	0.7
177.05467	4.8
177.09067	0.8
181.04962	0.6
189.05434	1.1
195.10159	0.6
201.09091	1.8
219.10168	100.0
220.10501	1.3
234.99045	0.7
241.04935	0.8
244.97456	0.6
249.11325	0.6
259.05811	0.6
261.00580	0.6
279.32269	0.6
303.08691	3.8
336.38687	0.6
353.13812	1.3
371.00510	1.0
371.10590	0.8
371.14932	10.5
391.10236	0.6
475.72028	0.6
517.17853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57322	1.8
53.03952	4.8
55.01875	4.4
55.05516	63.6
57.03444	34.9
57.07081	53.0
59.05016	2.3
65.03944	2.4
67.05508	78.2
69.07075	87.3
71.04980	3.5
71.08635	38.2
71.35574	1.8
75.04484	10.0
79.05067	3.3
79.05495	37.9
81.07065	100.0
83.05002	5.5
83.08627	60.1
85.06538	5.6
85.10188	17.8
89.05965	2.1
91.05480	14.5
93.07050	48.1
95.05016	2.3
95.08615	85.0
97.06531	19.7
97.10176	43.5
99.08069	3.0
99.11709	2.3
105.07023	17.4
107.08596	31.3
108.60207	2.0
109.06521	2.0
109.10160	40.6
111.08092	11.5
111.11723	13.5
113.06013	3.3
115.07565	2.2
117.07009	5.2
119.08573	10.6
121.10147	40.2
121.10941	3.5
123.11726	16.9
125.09630	9.9
125.13290	2.1
129.07059	4.6
129.09171	2.5
131.07028	7.3
131.08595	10.4
133.10162	6.2
135.11708	35.0
137.13266	8.5
139.11214	8.2
141.07002	2.7
143.08560	4.1
143.10590	2.5
145.10138	10.6
147.11734	5.1
149.13243	14.5
151.14838	2.3
153.12767	8.2
155.08606	2.9
157.10159	3.4
157.12260	3.3
159.11719	6.2
163.14873	8.0
167.14359	5.6
168.02904	2.0
171.11716	4.8
171.13835	2.5
173.13319	3.3
177.16428	6.2
181.15886	4.3
183.11716	2.8
185.13396	2.9
185.15388	2.8
191.18071	4.2
195.17464	4.1
205.19586	3.4
209.19044	3.2
213.18486	3.8
219.21097	2.3
223.20702	2.8
227.20052	2.3
229.16087	2.4
233.22533	2.2
233.65646	2.2
237.22183	4.1
241.21609	3.1
251.23692	3.4
261.22351	2.8
303.30536	7.0
321.31464	15.0
331.29935	12.6
349.31018	40.6
355.27679	2.0
385.33139	70.9
423.34848	40.2
441.35806	60.0
497.38483	19.4
515.38464	69.4
539.92401	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	517.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34001	0.7
67.05502	1.1
68.99770	0.7
69.29553	6.2
72.53047	0.7
79.05479	1.4
81.03402	1.3
81.07053	2.6
83.87704	0.6
84.04491	2.7
91.05463	1.3
93.07029	1.3
95.04978	1.6
95.08595	1.2
98.21584	1.0
105.07019	0.7
107.04958	0.9
107.08606	0.9
109.02855	2.3
109.10149	2.1
111.54353	0.7
117.28229	0.7
119.04929	2.8
121.10211	0.6
123.04432	14.1
123.08096	1.1
125.02338	1.4
128.75200	0.6
130.05031	3.9
135.04387	1.3
139.03911	2.2
147.04425	8.3
147.07657	4.7
149.05975	2.4
149.09642	1.0
151.03906	84.9
153.05620	0.7
163.03873	2.7
165.05479	5.9
176.52361	0.7
177.05478	4.6
177.09073	1.4
181.04854	0.8
185.61058	0.7
201.09114	1.7
218.09332	0.6
219.10167	100.0
220.10420	0.8
231.10214	0.7
245.07928	0.9
248.46167	0.7
303.08514	3.2
367.66852	0.8
371.14920	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	514.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.5
55.05507	7.0
56.61470	2.5
57.03418	3.6
67.05497	12.0
69.07049	2.6
70.06606	14.0
79.05481	11.5
81.03420	100.0
81.07042	9.3
83.04990	5.2
83.08625	23.6
85.02908	5.0
91.05481	15.2
93.07040	7.3
95.04976	29.0
95.08583	4.2
97.02903	3.3
98.21523	6.4
105.07037	8.8
107.04960	9.8
107.08585	5.5
111.04461	4.4
111.08070	8.6
114.09145	4.7
115.09511	3.6
117.07022	3.3
117.73037	2.7
119.04919	3.6
119.08570	11.9
120.69100	3.0
121.06502	3.3
121.10156	3.8
123.04421	5.5
129.06998	9.5
131.08562	9.6
133.10179	4.0
140.06982	3.5
141.30273	2.9
141.88300	2.8
147.04364	2.8
147.08115	3.0
147.11665	7.8
149.09586	6.7
157.10092	16.0
175.11180	14.5
177.05499	10.5
192.10236	3.1
193.12251	76.3
211.13361	6.6
245.30489	2.9
267.15915	60.9
285.16980	83.5
309.16959	13.4
313.11783	4.8
363.17938	5.4
373.13947	9.2
429.20969	4.6
514.23682	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01876	1.4
55.05514	19.1
57.03430	7.2
57.07073	2.0
65.03941	1.9
65.95995	1.1
67.05506	54.6
69.03455	1.3
69.07067	15.6
69.18649	10.7
69.19069	3.0
69.44089	1.1
71.01360	2.3
71.04986	3.0
77.03922	1.6
79.05494	52.2
81.03413	4.0
81.06587	2.4
81.07059	43.9
83.05000	7.0
83.08616	6.2
85.06546	3.0
91.05480	34.4
93.07047	59.7
95.04972	6.0
95.08609	24.5
97.06529	6.6
97.10185	7.9
99.08102	1.6
105.04506	1.3
105.06380	2.4
105.07037	18.4
107.08601	30.3
109.10168	9.7
111.08080	2.2
115.05478	1.6
117.07040	11.4
119.06084	1.2
119.08584	18.8
121.10148	16.6
123.11755	2.1
125.09698	2.3
129.07019	5.8
130.07779	2.1
131.08589	15.7
133.10141	12.1
135.08072	1.6
135.11699	36.9
138.41078	1.2
141.07002	1.4
142.07759	1.5
143.08545	6.6
145.10139	20.7
147.11725	7.7
149.13283	4.5
153.12770	1.5
155.08644	3.1
157.10130	6.9
159.11717	6.9
161.13287	4.6
163.11189	4.2
169.10156	2.7
171.11717	6.5
173.13263	6.0
175.14854	1.8
175.21617	1.2
181.10210	1.9
181.12263	5.1
183.11710	3.5
185.13266	3.7
187.14798	3.6
195.11766	1.5
199.14839	2.8
211.14835	1.6
223.14777	2.1
261.22217	3.8
297.22211	1.9
299.23828	1.4
311.23563	1.6
317.24771	1.2
337.39484	1.2
352.02560	1.4
405.31555	1.6
415.11938	1.1
423.32587	6.7
441.33823	2.8
459.34671	2.3
497.35733	1.8
515.37360	100.0
516.37646	2.7
535.45337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
57.03433	4.1
61.02913	2.9
67.05489	8.1
67.55733	2.5
68.99823	2.4
69.03431	4.7
70.06602	22.1
70.53929	9.5
79.05502	4.9
81.03423	57.4
81.07063	6.8
83.04990	4.4
83.08615	12.3
84.08170	3.2
85.02904	5.1
91.05489	19.2
95.04960	18.7
95.08615	8.2
97.02901	4.3
98.20862	3.5
100.17440	3.0
105.07035	4.2
107.04959	6.4
107.08604	4.0
111.08099	5.1
119.08568	7.0
123.04403	5.8
129.07033	4.1
131.04929	3.3
131.08617	4.6
133.10191	2.9
137.05984	3.3
149.09570	6.2
151.03906	7.7
153.05431	2.7
157.10124	7.6
161.05986	2.7
164.10706	5.6
167.06985	17.8
168.07407	10.4
173.63438	2.8
175.11220	9.7
177.05496	8.5
192.10144	6.0
193.12236	40.7
203.13005	3.0
211.08795	3.8
211.13364	4.5
217.08699	2.8
220.13377	6.5
222.88034	2.9
225.10225	6.4
239.11809	12.2
253.09689	4.8
254.10429	3.6
267.11325	12.2
267.15958	31.9
285.16959	47.5
295.10739	6.0
309.16870	8.0
313.11871	47.4
323.12427	7.2
341.11356	9.6
373.13977	100.0
374.14096	3.3
457.69409	2.7
472.97894	2.9
482.19400	3.4
514.22791	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	513.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99456	0.6
52.19860	0.7
53.03948	2.1
55.01863	1.3
55.05512	13.1
57.07078	3.0
65.03938	0.8
67.05507	18.4
69.03468	0.7
69.07074	9.3
69.87934	2.3
70.06585	1.3
71.04974	1.5
71.08620	1.2
77.03882	0.6
79.05499	12.9
81.07059	19.4
83.04982	1.7
83.08620	5.6
83.12447	0.6
85.06544	1.7
88.07632	2.3
89.06035	1.6
91.05489	14.2
93.07040	14.6
95.04971	1.1
95.08614	13.8
97.06536	1.8
97.10156	3.7
99.08099	0.9
102.09178	1.3
105.07030	14.0
107.08604	8.2
109.06516	1.2
109.10159	5.8
109.30777	0.6
111.08119	0.7
115.05471	1.8
117.07020	11.1
119.08591	10.8
121.10138	3.8
123.08069	1.2
123.11710	0.7
125.09624	1.6
128.06242	3.9
129.07008	12.4
130.07813	1.3
131.08571	16.2
131.09544	1.1
133.08601	1.1
133.10127	7.9
135.11682	4.5
137.09621	0.9
139.11180	0.6
141.06990	4.4
142.07806	3.4
143.08559	17.3
145.10123	13.8
147.11693	3.2
149.13293	1.0
153.07042	0.8
154.07787	1.0
155.08542	10.7
156.09309	1.8
157.10133	15.7
159.08090	0.8
159.11699	11.0
161.13254	1.3
165.07014	1.0
167.08627	4.2
168.09335	1.3
169.10123	13.0
170.10954	1.0
171.11685	12.1
173.13252	6.6
179.08543	1.3
181.10141	6.2
182.10785	1.0
183.11702	13.5
185.13268	8.8
187.14838	2.4
187.25313	0.6
193.10150	2.2
195.11656	5.5
197.13251	9.7
199.13242	0.8
199.14819	5.2
207.11682	1.8
209.13234	5.6
211.14832	5.4
213.16423	2.2
219.11804	0.8
221.13312	3.1
223.14832	3.8
225.16426	2.2
227.18076	0.8
233.13272	0.7
235.14825	2.3
237.16409	2.0
239.17960	1.0
249.16499	1.1
251.18069	0.8
253.19518	0.8
256.26370	3.2
257.26721	3.0
263.17975	0.8
267.17551	0.9
267.80054	0.7
269.19031	1.2
279.21225	0.9
281.19177	0.7
283.20721	1.3
283.26270	3.0
284.26654	3.8
285.18527	0.7
293.22931	0.7
295.20496	1.5
297.18735	0.8
297.22174	1.5
305.22632	0.8
309.22128	3.2
311.20288	0.8
311.23572	1.1
313.21564	1.4
315.23352	0.8
316.21161	0.7
319.20300	0.7
321.22015	0.9
323.23788	2.0
325.21432	0.9
327.23120	1.5
335.23724	1.2
339.23282	1.0
341.25024	0.8
351.23196	0.9
353.24908	1.0
361.25491	1.0
365.25064	0.9
379.26303	1.0
393.31931	1.4
401.27313	0.6
403.30035	7.3
415.28708	0.7
421.31052	20.1
439.32010	7.1
457.33273	1.8
459.32596	1.6
477.33505	2.6
495.34619	10.5
512.50049	0.8
513.35779	100.0
513.50726	16.0
514.36121	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	513.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01884	1.2
55.05275	1.0
55.05516	14.7
57.07076	2.4
59.70031	0.8
65.03937	1.1
67.05513	26.0
69.07072	9.0
71.04987	1.5
79.05077	1.2
79.05503	18.3
79.70067	0.9
81.07067	22.6
81.21609	0.9
83.04996	2.5
83.08647	5.1
85.06561	1.0
85.74104	0.8
91.05488	18.1
93.06480	1.4
93.07053	19.0
95.04984	2.6
95.08617	14.0
97.06542	2.7
97.10179	3.9
103.05493	0.9
105.04536	1.0
105.07043	20.2
106.98324	0.9
107.08612	10.7
109.06546	1.1
109.10178	5.6
115.05469	2.2
117.07027	10.6
119.08595	15.9
121.10148	5.4
123.08072	1.2
125.09632	1.4
128.06236	4.1
129.06177	0.9
129.07037	9.4
130.07805	1.1
131.08594	18.5
133.10136	10.5
135.08075	1.5
135.11728	5.6
137.41562	1.1
141.06993	4.7
142.07759	3.3
143.08577	14.9
145.10141	16.0
147.11696	6.2
149.13234	1.1
151.11133	0.9
151.89204	1.3
154.07793	1.4
155.08549	9.3
156.09401	1.2
157.10153	14.9
159.11714	11.7
161.13268	2.0
163.11253	1.0
165.07056	1.7
167.08620	4.2
169.10138	11.9
171.11707	13.2
173.13263	9.3
179.08588	1.2
181.10181	5.3
181.11667	0.8
183.11720	10.9
185.13306	7.5
187.14812	2.9
193.10112	1.6
195.11713	4.7
197.13290	9.4
199.14868	4.4
201.16487	1.6
207.11749	2.2
209.13264	4.2
211.14847	4.0
213.12894	1.0
213.16426	2.5
221.13245	2.4
223.14882	3.1
225.16457	2.0
227.18095	1.4
229.51878	0.9
235.14926	2.2
237.16417	1.8
241.19519	1.1
243.73990	1.0
247.16890	1.4
249.16478	1.7
251.17911	1.9
259.20636	2.4
261.18576	1.9
269.18933	1.2
279.21188	1.4
281.74866	1.4
283.20511	1.2
287.19971	1.4
291.21274	1.2
297.22244	1.1
308.68604	1.0
309.22208	2.0
311.24039	1.2
315.23315	1.7
323.23581	1.0
327.23309	1.4
365.24741	1.5
403.30103	6.0
421.31033	15.6
439.32178	4.6
457.33029	2.5
477.33893	1.8
495.34692	7.4
513.35815	100.0
514.36176	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	2.0
55.05269	0.9
55.05516	12.0
57.07079	1.0
65.03953	0.8
67.05507	19.6
69.07078	8.9
69.38621	0.5
71.04999	1.3
72.11798	0.5
79.05495	14.1
81.07061	17.8
82.15688	0.5
83.05008	0.7
83.08632	4.9
85.06544	0.9
89.06036	0.7
91.05487	14.4
93.07050	13.7
95.04979	1.3
95.08610	12.3
97.06538	1.6
97.10187	3.6
101.06034	0.6
102.53491	0.5
103.05455	0.6
103.97332	0.6
105.04505	0.6
105.07034	12.6
107.05008	0.8
107.08601	7.3
109.06497	0.8
109.10152	4.9
111.08067	1.1
113.23974	0.6
115.05468	1.9
117.07026	10.2
119.08595	12.1
121.10167	4.5
123.08056	1.1
123.11728	0.9
125.09615	1.5
125.88692	0.6
128.06181	3.4
129.07005	14.2
130.07787	2.0
130.08694	0.6
131.08571	14.7
133.08591	0.7
133.10147	7.4
135.11658	3.1
141.01472	10.6
141.06969	4.9
142.07797	4.2
143.08569	14.9
143.09698	0.7
144.09326	1.0
145.10127	13.5
147.11696	2.7
149.09673	0.8
151.11221	0.6
153.07004	0.9
154.07773	1.9
155.08548	9.1
156.09326	1.4
157.10129	16.1
158.04146	8.2
158.10805	0.8
159.11696	9.2
161.13274	0.8
165.07019	0.7
167.08582	3.9
168.09383	1.6
169.10129	11.7
170.10863	0.6
171.11694	11.5
173.13283	5.8
179.08592	1.9
181.10103	5.6
182.10901	0.9
183.11702	12.0
185.13235	9.2
187.14857	1.6
193.10155	1.4
195.11705	5.1
197.13266	8.5
198.94336	0.6
199.14842	5.3
207.11714	2.0
209.13275	5.1
211.14838	3.8
213.16403	2.5
219.11678	1.0
221.13272	2.2
223.14883	2.7
225.16397	2.0
227.18044	0.8
227.91322	0.7
235.14821	1.4
237.16406	1.7
239.17982	1.4
241.15791	0.6
241.19507	1.0
249.16281	1.1
251.17979	0.9
263.17914	1.0
265.19638	0.9
267.21176	0.8
269.19229	0.8
277.19528	1.3
281.19174	0.9
283.20422	0.7
285.18732	0.8
287.19861	0.7
291.21103	0.7
295.20575	1.4
297.22064	1.5
299.20184	1.0
309.22171	2.2
313.21701	1.6
315.23309	1.2
321.22177	0.9
323.23679	1.5
325.21823	0.9
327.23386	1.1
335.23795	1.1
339.23248	0.8
341.24796	1.0
351.23105	0.6
353.24878	0.8
375.26590	0.7
379.26022	0.6
393.31610	1.5
403.30005	6.2
421.31064	13.9
439.32220	6.9
457.33066	1.9
459.32773	1.4
477.33575	1.6
495.34860	6.8
510.31439	0.6
513.35797	100.0
513.51245	2.4
514.36261	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	513.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01873	1.7
55.05518	12.7
57.07072	2.1
61.77577	1.2
65.03930	1.2
67.05510	22.4
69.07078	9.5
69.24779	2.7
69.25187	6.2
71.04977	1.7
77.03926	1.1
79.05505	19.3
81.07068	23.7
83.04966	2.0
83.08629	5.3
91.05488	15.4
93.07056	19.1
95.04987	1.7
95.08615	14.1
97.06519	2.5
97.10172	3.5
105.07046	16.6
107.08602	11.4
109.06529	1.6
109.10146	5.7
115.05406	1.6
117.07024	10.6
119.08595	14.1
121.10165	4.7
123.08074	2.8
125.09663	1.6
128.06212	2.5
129.07024	10.4
130.07779	1.2
131.08594	14.6
133.10158	11.8
135.11688	5.2
141.06999	4.8
142.07774	3.6
143.08589	15.6
145.10144	15.3
147.11658	5.3
154.07803	1.9
155.08551	9.7
156.09427	1.6
157.10136	12.7
159.11719	12.7
161.13251	2.0
165.07043	1.2
167.08604	3.8
169.10147	11.9
171.11708	11.3
173.13303	7.4
179.08652	1.1
181.10120	5.2
183.11714	10.5
185.13278	11.3
187.14832	3.0
188.10564	0.9
193.10092	1.9
195.11789	7.0
197.13266	8.1
199.14854	5.2
207.11678	1.3
209.13293	3.9
211.14761	4.8
213.12878	1.4
213.16425	1.8
221.13350	2.0
223.14851	3.1
225.16425	2.3
247.17073	1.4
249.16394	2.2
251.18071	1.6
261.18506	1.8
269.18933	1.1
275.20172	1.4
295.20569	1.7
297.22223	1.5
309.22220	1.6
315.23297	1.3
323.23822	1.6
339.23239	1.3
372.88757	1.1
383.62173	1.0
403.29889	5.8
421.31146	17.2
439.31940	5.9
457.33203	3.2
477.33655	1.6
495.35034	7.9
513.35846	100.0
514.35938	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
55.01869	9.7
55.05523	28.1
57.03436	14.0
61.02926	18.4
65.03948	5.8
65.51917	3.6
67.05514	74.3
69.03432	15.2
69.07083	19.6
71.01371	6.0
71.04989	11.8
73.02911	8.7
74.29153	3.6
79.05070	4.8
79.05499	52.3
80.30797	3.7
81.03416	15.0
81.07060	72.3
83.04993	12.3
83.08630	12.9
83.21748	4.1
85.02930	20.8
91.03958	6.7
91.05486	58.6
93.07050	65.7
95.04968	14.1
95.08607	35.1
97.02894	18.4
97.06532	15.4
97.10191	8.1
98.20770	7.0
98.32201	4.6
100.62547	3.3
104.63694	4.1
105.07018	46.7
107.08591	34.6
109.06540	6.8
109.10168	25.8
111.08094	6.1
117.07027	15.1
119.08590	45.4
121.06518	8.1
121.10143	26.0
123.04414	5.4
127.03912	6.0
128.06261	4.5
129.05486	6.6
129.07001	14.2
131.08592	33.2
133.10136	37.4
135.08075	7.4
135.11702	25.4
142.07764	4.6
143.08607	9.6
145.10104	22.1
147.04416	8.1
147.08073	5.7
147.11684	34.0
149.05940	4.4
149.13246	14.9
157.10136	11.6
159.11667	23.5
161.13275	19.5
163.14925	4.6
169.10112	6.0
171.11723	18.5
173.11818	6.5
173.13222	9.2
175.14804	9.9
185.13332	14.1
193.12225	8.1
199.14853	6.5
211.13345	4.2
217.08643	7.2
229.14320	9.1
241.19540	17.7
259.20563	53.1
263.07120	5.3
277.21716	5.3
306.08966	4.0
325.25742	4.6
328.88785	4.4
349.10486	9.3
349.24081	6.2
351.25308	100.0
363.16904	6.8
363.25046	4.8
417.26324	4.7
441.26141	6.2
468.75174	3.9
477.28516	10.2
495.29602	9.6
513.14716	4.0
513.29706	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03947	4.8
53.44308	2.4
55.05518	16.7
57.03428	9.9
59.04991	2.5
61.02935	17.1
67.05511	37.4
69.03406	6.5
69.07063	11.3
71.05000	5.0
71.10378	5.3
73.02908	4.7
79.05499	44.5
81.03414	7.7
81.07065	38.6
83.04964	4.4
83.08636	6.3
85.02930	12.3
85.06578	3.1
91.03960	6.2
91.05488	36.7
93.06484	3.7
93.07050	54.6
95.04953	4.4
95.08614	22.7
97.02897	9.7
97.06517	4.2
105.07034	36.4
107.08597	36.4
109.06509	4.1
109.10172	10.8
111.08017	3.1
115.03896	2.6
117.07001	12.1
119.08591	41.7
121.06496	4.4
121.10149	26.3
123.11703	3.8
129.07005	7.4
131.08580	18.7
133.10143	35.1
135.11731	24.8
143.08606	7.9
145.10123	19.9
147.11707	26.3
148.21736	2.7
149.09627	3.4
149.13286	16.3
157.10114	7.3
159.11710	21.8
161.09671	2.8
161.13255	22.5
163.11259	3.4
163.14763	5.7
171.11702	14.0
173.13312	14.6
175.14856	10.1
185.13275	11.9
187.14830	3.6
197.13327	3.0
199.14886	5.0
231.21118	3.0
234.67961	2.8
241.19547	25.1
259.20621	49.8
277.21542	9.0
291.06302	3.6
321.11301	2.8
333.24411	7.9
349.10696	5.5
349.23862	5.1
351.25311	100.0
352.25650	5.2
429.25940	2.8
441.26508	6.9
458.15631	2.8
459.27872	5.0
477.28479	5.2
495.29526	9.9
513.29614	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
54.01594	3.6
54.14633	2.8
55.05511	17.8
55.43682	2.7
55.76804	2.7
57.03435	9.1
57.07072	4.4
61.02934	20.3
65.03952	3.3
67.05507	41.6
69.03432	8.0
69.07072	11.6
69.84951	6.2
69.85358	13.5
73.02943	3.6
79.05497	39.5
81.03426	8.3
81.07055	36.0
83.08607	7.4
84.97769	3.4
85.02910	13.7
91.03957	10.3
91.05485	37.4
93.07051	53.4
95.04970	7.5
95.08611	28.4
97.02888	13.9
97.06541	5.1
97.10156	6.7
97.58972	3.0
99.04472	3.3
105.07032	43.4
107.08601	34.2
109.06493	4.0
109.10165	14.7
111.08054	3.3
117.07005	10.8
119.08575	36.3
121.10147	27.1
123.08082	3.9
123.11692	3.5
127.03902	3.0
129.05486	5.1
129.06998	7.5
131.08600	21.6
133.10129	33.6
135.11659	19.0
137.09666	3.4
141.07018	3.6
143.08577	9.6
145.10107	28.8
147.11702	31.5
149.09601	2.8
149.13234	16.1
155.08485	5.2
157.10127	13.5
159.11682	23.4
161.13246	25.4
163.14821	6.9
169.10191	4.5
171.11618	15.3
173.13275	12.9
175.11133	3.7
175.14847	12.1
182.57715	2.9
185.13286	13.9
197.13354	4.8
199.14868	6.4
201.12848	4.2
231.21089	9.8
237.38084	3.4
237.40555	2.7
241.19508	25.4
259.20563	49.9
261.32715	3.4
271.20538	5.3
277.21713	3.9
301.21646	3.8
322.32367	3.1
337.76385	3.4
343.22775	3.7
349.23743	12.3
351.25333	100.0
363.25360	4.6
375.12463	3.5
375.25391	5.8
417.26309	3.4
441.26456	8.1
477.28772	6.0
495.29343	12.6
513.29828	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	513.3064
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03942	3.0
55.05511	9.2
56.35339	2.3
56.84171	2.3
57.03434	7.6
57.07092	2.7
61.02931	13.5
64.46817	2.5
67.05512	28.1
69.03431	4.8
69.07065	9.1
69.86023	3.5
69.86323	13.3
71.04985	3.0
73.02905	6.3
79.05499	36.4
81.03425	4.8
81.07071	34.9
83.08624	6.3
85.02922	14.3
85.06549	3.8
91.03956	7.8
91.05487	25.5
93.07058	46.6
95.04975	4.6
95.08627	20.9
97.02907	7.5
97.10177	3.7
98.21523	2.6
105.07046	28.9
107.08586	28.2
109.06557	2.5
109.10162	10.1
115.57178	2.5
117.07036	5.8
119.08596	29.6
121.10162	15.2
123.08132	3.6
127.03903	3.0
128.06146	2.8
129.07024	8.0
131.08563	15.8
133.10162	30.2
135.11705	23.2
143.08563	8.7
145.10156	15.5
147.11703	28.1
149.13293	16.4
157.10150	8.0
159.11714	15.6
161.13280	19.5
163.14850	4.2
171.11693	10.2
173.13304	8.4
175.14830	13.2
185.13263	10.7
186.06108	2.7
187.14789	3.4
199.14853	5.6
213.16382	2.7
241.19579	19.9
259.20609	41.3
277.21689	6.4
333.24149	6.4
349.10657	6.2
349.23941	5.4
351.25305	100.0
441.26550	4.3
459.27466	3.2
477.28430	4.1
495.30130	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	513.1607
Annotation	Kutkoside
Peak:m/z	Relative Intensity
50.22196	0.7
54.31331	0.7
55.01875	1.4
55.90681	0.6
61.02947	0.8
65.03934	1.3
68.99782	0.9
69.03425	2.0
69.94665	3.8
81.03424	1.3
83.04987	1.1
85.02896	5.9
91.05473	1.4
93.03428	0.8
95.04971	3.1
97.02882	1.8
107.04937	1.6
110.25798	0.8
111.04456	2.9
114.10107	0.8
123.04450	8.7
127.03869	1.3
131.04958	1.1
135.04405	2.1
136.53079	0.7
139.03912	100.0
140.04633	1.5
144.08089	1.5
147.04434	2.3
151.03922	14.6
155.07082	4.1
163.03917	9.5
167.07005	1.0
175.03914	1.3
177.05493	2.2
179.07079	2.9
181.04993	14.7
183.06509	4.9
188.04927	0.8
193.04987	1.5
201.05614	0.8
205.05006	6.4
207.06560	1.4
229.05093	0.7
235.06044	2.3
238.93251	0.7
247.06041	2.3
265.07138	2.2
283.08093	6.7
301.52094	0.8
305.10110	4.0
333.09689	15.4
351.10690	5.8
357.09793	1.7
375.10718	1.0
375.98209	0.9
381.38000	0.8
399.10455	1.4
459.12582	0.9
533.45026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.161
Annotation	Kutkoside
Peak:m/z	Relative Intensity
50.21196	0.5
50.95608	0.5
55.01862	0.8
55.05528	0.5
58.23980	0.6
58.73338	0.5
60.91035	0.5
61.02906	1.0
65.03931	1.0
67.17633	0.5
67.18719	0.5
68.57355	0.5
68.99788	0.9
69.03423	1.9
69.47351	4.2
71.04976	0.6
81.03434	0.7
82.94874	0.5
83.04969	0.7
85.02902	4.8
86.21804	0.5
93.03419	0.8
94.38348	0.5
95.04987	3.1
97.02896	2.4
107.04961	0.8
111.04449	2.5
118.07301	0.5
123.04438	7.5
125.06048	0.6
127.03958	0.7
135.04449	1.3
139.03906	100.0
140.04681	1.1
145.04956	1.0
147.04404	1.1
149.05988	0.7
151.03902	15.8
155.07040	3.2
161.05890	0.6
163.03908	6.1
165.05554	0.6
167.07089	0.8
175.03944	1.1
177.05487	1.7
179.03450	0.6
179.07034	2.2
181.04962	11.9
183.06535	5.8
191.07001	0.6
193.04999	2.0
195.95998	0.6
205.05000	5.5
207.06557	2.2
217.04956	0.7
225.07588	1.3
229.05009	0.9
235.06042	1.8
247.06024	2.1
265.07028	1.9
283.08139	3.4
304.26956	0.6
305.10208	4.0
333.09698	17.1
334.10205	0.7
339.80197	0.7
351.10840	5.7
357.09445	1.2
375.10876	0.9
399.10623	0.9
441.11661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05497	3.9
67.05496	2.2
69.03441	4.9
69.07073	1.6
70.06551	1.2
71.04971	2.0
71.24662	2.1
71.40594	1.1
78.03449	7.9
79.05478	2.1
80.05008	2.3
81.03416	9.3
81.07072	5.0
83.04966	3.1
83.08630	1.4
85.02890	2.9
91.05465	2.0
93.07030	4.5
95.04961	8.5
95.08636	1.9
96.04485	9.7
97.02874	4.8
99.04510	4.7
103.49471	1.0
105.07024	4.0
106.02916	27.0
107.08607	6.2
109.02859	4.8
109.06584	5.8
109.10149	6.6
119.08555	3.3
121.10161	7.2
123.04450	1.1
123.08054	1.2
123.11704	3.3
124.03960	100.0
125.38677	0.9
127.03913	3.1
131.08548	3.4
133.10132	10.1
135.08073	1.7
135.11726	2.0
143.08566	1.2
145.10153	2.0
147.11739	2.1
149.13264	3.7
151.11195	3.1
153.09100	3.3
163.11221	1.2
163.14795	2.0
166.04938	2.5
167.01599	2.5
167.14328	2.0
173.13292	8.2
191.12755	1.1
191.14275	7.0
204.06558	1.3
209.15387	15.8
226.10728	2.3
232.06026	2.7
250.07126	17.1
250.14442	1.1
268.08160	47.4
286.09158	5.5
306.96976	1.0
424.19513	1.4
476.22382	2.4
494.23715	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	512.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
62.06091	1.1
70.06593	0.5
70.10286	1.1
70.10662	1.9
73.31158	0.6
79.05507	4.8
85.02905	0.8
91.05495	7.5
93.03405	0.7
93.07078	0.7
95.04958	1.0
103.05460	3.6
105.07037	16.7
106.07381	1.3
107.04961	2.1
107.08624	0.6
108.05726	0.6
109.06506	1.6
111.74377	0.6
115.05451	1.6
115.30965	0.7
117.07016	0.7
118.04189	3.5
119.04956	6.2
121.06489	2.0
122.07318	1.0
123.08082	1.5
124.03964	0.9
124.05222	1.6
131.04941	1.6
132.05733	0.7
133.02769	0.8
133.06502	17.5
134.06931	1.0
135.04414	1.7
135.08069	2.1
137.05978	8.8
146.03671	0.9
147.04420	5.7
149.06021	2.7
150.06778	10.1
151.07532	4.9
152.08281	0.8
161.05974	5.5
162.06404	1.7
163.07585	1.1
165.09119	10.5
167.07048	8.0
175.07494	0.7
177.05449	0.6
178.00826	0.9
178.06223	1.0
179.07062	4.3
193.03217	7.0
193.08614	48.5
194.09021	2.2
195.09038	1.1
203.99718	0.5
205.08653	0.6
211.09662	100.0
212.09901	0.9
341.13959	2.8
357.13477	0.8
371.12271	1.3
375.14200	0.6
383.14539	0.6
512.19592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01860	1.4
65.03961	0.8
65.49314	1.0
70.97161	1.9
75.51556	0.9
78.76653	0.7
79.05494	6.0
85.02875	0.7
91.05487	7.4
93.07043	1.3
95.04947	1.1
100.85657	0.7
103.05470	3.4
105.07029	18.2
106.02874	1.2
107.04946	2.4
109.06502	2.1
115.05487	1.1
118.04151	5.5
119.04964	5.8
121.06494	1.6
122.07272	1.2
123.04427	0.9
123.08089	1.7
124.03929	3.8
124.05189	0.9
130.36546	0.9
131.04921	1.9
131.08701	0.9
132.05688	1.1
133.06493	17.4
134.07298	1.1
135.04405	1.7
135.08034	3.0
137.05977	8.4
146.03601	1.0
147.04405	6.8
148.05243	1.0
149.05925	4.5
150.06769	9.2
151.07541	4.2
152.08299	1.6
161.06020	3.0
163.07486	2.0
165.09106	11.6
167.07018	9.2
179.07082	4.4
193.03198	6.0
193.08621	49.7
209.08057	1.4
211.09665	100.0
237.10265	1.9
263.01938	1.0
265.09650	2.4
268.08273	1.6
293.09290	1.9
311.10367	1.5
339.09756	2.9
341.13672	2.3
358.42300	0.9
361.16727	1.0
371.12418	5.9
480.17856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.1
55.01864	10.0
55.05513	26.1
57.03442	22.0
57.07081	2.7
59.04996	3.3
61.02930	12.1
65.03930	4.1
67.05508	78.3
67.12784	2.2
69.03439	36.8
69.07071	35.5
71.01367	2.5
71.05004	19.0
73.02913	11.1
79.05493	63.1
81.03426	58.5
81.07059	100.0
83.04993	21.5
83.08635	14.5
85.02913	31.3
85.06539	4.7
87.04475	4.0
91.03957	6.5
91.05482	65.2
93.06479	5.4
93.07047	62.6
95.04976	17.2
95.08609	40.2
97.02897	29.6
97.06538	17.7
97.10185	8.6
99.04451	8.2
99.08107	5.8
101.02370	5.8
103.03932	6.4
105.07040	62.5
107.04951	10.1
107.08600	32.2
109.02892	11.5
109.06515	11.8
109.10180	18.6
111.04430	5.6
111.08086	7.8
113.78048	2.3
115.05470	3.0
117.07014	16.9
119.08579	41.5
121.06480	7.5
121.10155	20.7
123.08080	8.3
123.11681	11.7
125.09606	7.0
127.03924	16.7
128.06293	3.6
129.05493	7.8
129.07047	11.1
130.07803	3.3
131.08582	27.5
133.06531	4.0
133.10135	42.9
134.74751	2.7
135.08093	9.4
135.11713	9.2
137.05946	3.2
137.09622	4.4
143.08569	8.2
145.04973	6.7
145.06488	4.3
145.10126	18.6
147.08075	3.8
147.11688	24.6
149.09656	11.9
149.13278	14.3
151.11154	3.8
153.09171	2.4
155.08542	5.4
157.10121	10.5
159.11702	23.9
161.09656	4.6
161.13295	9.7
163.11192	8.1
165.12779	7.9
169.10155	5.9
171.11722	8.1
173.04489	6.9
173.13274	7.3
175.11211	9.6
177.09076	2.7
177.12773	7.1
181.10269	2.5
183.11731	5.4
183.13736	4.2
187.11220	3.4
193.12219	6.6
195.13885	11.9
197.13281	4.3
201.12761	3.2
211.13249	4.4
219.13783	3.3
223.85345	2.5
229.14178	3.3
239.17958	4.9
247.20464	4.7
257.19055	10.8
267.15918	7.7
269.17474	11.6
275.17169	2.0
275.20038	43.7
279.84787	2.9
291.09436	2.6
291.19647	3.8
297.17023	3.0
321.24268	2.8
331.22614	5.5
339.18155	3.2
349.23773	42.8
377.23676	2.9
391.24091	3.8
413.21744	7.0
467.30228	5.0
475.26837	5.3
493.27783	4.5
511.27975	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.9
55.01861	8.8
55.05276	2.7
55.05512	30.1
57.03440	26.4
57.07066	2.2
58.13545	2.1
59.04985	2.3
61.02932	12.5
62.27771	1.6
65.03937	4.4
67.05509	70.4
69.03087	2.4
69.03433	34.9
69.06733	2.3
69.07070	26.6
69.22775	20.2
71.01330	2.5
71.04993	17.3
73.02906	5.6
79.05494	62.5
81.03419	48.8
81.07059	100.0
83.04996	19.5
83.08611	15.6
85.02914	27.5
85.06543	4.7
91.03934	5.5
91.05482	64.3
93.07043	59.2
93.07628	2.4
95.04964	12.8
95.08614	37.2
95.89365	1.9
97.02898	31.5
97.06527	16.0
97.10168	9.1
99.04478	11.6
99.08085	8.4
101.02387	4.8
103.03956	3.9
103.05494	3.8
105.04525	2.5
105.07032	60.9
107.04966	10.7
107.08589	33.7
109.02866	10.2
109.06489	7.9
109.10162	17.5
111.04440	4.6
111.08054	6.5
113.09608	2.5
115.03909	3.4
115.05443	3.1
117.07021	22.1
119.08582	47.0
121.06480	5.8
121.10159	25.1
123.08080	6.8
123.11694	8.5
125.09655	4.2
127.03899	14.1
128.06219	1.9
129.05461	6.9
129.06996	9.1
131.08578	26.9
133.06497	2.2
133.10146	39.0
135.08054	6.2
135.11691	13.8
137.09618	4.1
141.06975	3.2
143.08525	5.9
145.04964	6.8
145.06566	3.2
145.10130	18.5
147.08049	3.1
147.11694	24.9
149.09608	8.7
149.13263	13.2
151.11194	4.4
155.08591	3.2
157.10120	10.0
159.08020	2.9
159.11705	18.7
161.09607	4.6
161.13257	5.8
163.11180	5.8
165.12729	6.3
169.10106	4.5
171.11693	5.9
173.04448	9.0
173.09587	3.0
173.11847	2.7
173.13239	8.1
175.11183	4.0
177.12703	5.6
179.14261	4.0
183.11636	3.5
185.13348	2.4
187.11118	2.6
193.12230	4.6
195.12064	1.7
195.13818	11.4
197.13277	4.2
199.14845	2.6
201.12753	2.3
207.11855	2.0
211.13316	4.7
225.11172	2.5
229.14372	3.8
229.19586	2.5
239.17957	5.0
247.20544	3.5
257.19061	10.5
267.15878	9.6
269.17441	13.2
275.20068	51.0
283.15228	3.9
285.17014	2.6
291.19589	5.5
293.20908	4.4
297.16971	3.3
299.20166	2.8
331.22598	5.7
349.19763	3.5
349.23746	41.0
349.27829	1.7
365.38773	2.4
383.22046	2.3
401.23053	3.3
413.21634	8.7
467.29980	3.1
493.28085	5.7
511.28519	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.2
55.01880	14.7
55.05511	33.5
57.03444	29.3
57.07070	2.8
61.02921	7.3
65.03932	5.4
67.05509	86.4
69.03432	38.7
69.07066	23.9
69.25346	21.1
69.25751	5.9
71.01340	3.6
71.04995	17.4
73.02908	7.0
73.26295	2.7
73.42139	2.3
76.50657	2.4
79.04773	2.8
79.05495	69.3
81.03425	66.2
81.07059	100.0
83.04971	21.2
83.08627	14.4
85.02904	28.2
85.06543	3.8
91.03968	4.8
91.05481	67.4
93.07047	56.9
95.04974	16.9
95.08611	47.8
97.02896	36.6
97.06535	9.7
97.10160	9.8
99.04462	6.8
99.08072	8.6
99.09224	2.7
101.02335	3.7
103.03927	3.8
105.07033	56.0
107.04961	8.9
107.08598	43.1
109.02892	10.7
109.06522	10.1
109.10160	20.8
111.04451	6.5
111.08062	10.2
113.06001	3.2
115.03934	4.0
115.05399	2.6
117.07032	21.8
119.08580	43.8
121.06500	10.2
121.10149	23.8
123.04502	2.7
123.08064	8.6
123.11741	12.0
123.18416	2.5
124.33219	2.5
125.09566	5.8
127.03916	18.3
127.07513	3.5
128.06186	4.2
129.05566	5.7
129.06989	11.7
131.08582	27.8
133.06464	4.0
133.10127	33.2
135.08046	9.2
135.11703	23.1
137.09637	5.0
143.08571	9.6
145.04945	3.9
145.06522	3.8
145.10136	30.4
147.08064	5.4
147.11707	26.3
149.09566	12.0
149.13243	12.0
151.11183	7.0
155.08575	5.3
157.10167	16.2
159.08046	3.4
159.11699	18.6
161.13254	9.1
163.11188	9.7
165.12764	7.1
169.10129	5.8
171.11638	5.7
173.04514	14.7
173.09604	3.1
173.13290	5.8
175.11191	5.6
177.12732	4.2
183.11844	3.3
187.11195	3.6
191.10712	3.8
191.67220	2.7
193.12216	9.5
195.13831	9.5
197.13295	3.1
201.07555	2.8
202.45807	2.9
209.11642	2.8
211.13260	12.7
227.12831	3.6
229.19504	4.5
239.17868	4.6
247.20624	7.7
257.19003	11.0
267.15927	4.4
269.17410	5.9
275.20081	53.2
283.15262	3.9
289.21686	3.9
293.21130	4.6
321.24115	2.9
339.18198	3.7
349.23703	52.0
367.24692	3.6
383.22086	3.5
391.24713	3.3
413.21722	18.9
475.27155	6.2
493.27948	8.6
511.20584	3.2
511.28986	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	510.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73422	1.0
53.03937	1.1
55.05508	1.2
57.03422	3.5
57.13334	1.1
58.41243	1.1
59.82237	1.3
61.02922	1.4
65.03943	1.1
69.03090	1.1
69.03436	13.1
70.06588	1.1
71.05002	31.2
71.50225	1.6
73.02925	1.3
75.04463	2.0
81.03481	1.3
83.04991	6.6
85.02914	39.8
86.09684	1.2
95.04980	1.8
96.04509	2.2
97.02897	1.3
106.76933	1.0
110.03695	6.1
111.04447	2.8
112.34745	1.0
118.24082	1.0
123.04429	1.0
125.06009	21.9
127.03939	2.8
129.05502	20.4
137.05881	1.0
139.03886	4.8
146.08119	1.2
147.06512	5.5
153.05482	41.4
154.06258	12.3
155.03423	1.7
167.07016	1.6
170.05774	10.8
178.06273	1.5
180.86996	1.3
182.05710	2.3
185.08112	100.0
197.08168	6.0
209.08110	4.2
227.09145	4.4
237.07495	1.3
251.09207	4.6
277.10724	11.5
295.11780	5.0
311.11041	2.2
313.12814	2.1
331.14111	1.3
431.30530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
53.03936	1.3
55.01870	1.6
57.03442	1.5
59.81420	0.5
60.75787	0.5
62.06094	3.4
65.03934	0.8
67.05510	1.0
69.46056	2.3
69.46487	1.8
77.03911	0.6
79.05505	5.8
80.06277	0.7
81.07069	0.7
89.03919	0.8
89.51337	0.5
91.05486	16.3
93.03407	0.7
93.07035	1.9
95.04964	1.9
95.08630	0.6
98.20747	0.7
103.05473	6.7
104.06258	0.6
105.07037	45.9
107.04959	0.9
108.05772	1.6
109.02873	0.5
115.05460	6.6
118.04152	2.8
119.04955	15.7
121.06503	2.4
123.04430	2.8
123.08051	3.8
128.06096	0.5
131.04962	2.6
132.05704	2.0
133.06502	40.7
134.03606	0.6
136.05240	3.1
137.05998	1.8
143.04997	0.9
143.06050	3.2
147.04417	3.6
149.06007	3.4
151.07545	16.2
153.05469	4.0
154.06259	1.1
161.05992	89.5
162.06367	0.8
165.05515	1.5
167.07059	3.0
169.08691	0.5
177.05476	1.8
178.06297	0.5
179.07047	37.5
181.08629	2.5
182.09512	1.0
191.07018	3.1
192.07823	1.6
193.08620	100.0
194.08891	0.7
197.08104	18.5
209.08105	6.0
210.08896	1.3
235.09689	1.0
251.09203	2.1
252.09967	10.2
357.13181	1.8
389.15781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
53.16673	1.6
55.01874	6.2
55.05518	14.7
57.03433	3.5
57.07080	49.1
65.03934	3.4
67.05511	67.1
67.09064	1.3
69.03419	1.9
69.07079	22.6
71.05019	7.0
71.05331	1.5
71.08638	33.7
79.05497	19.9
80.00659	1.5
81.03425	3.3
81.07064	60.7
83.04981	6.9
83.08629	18.5
85.02964	1.7
85.06538	7.2
85.10185	16.9
89.06031	6.2
91.05492	35.1
93.07050	18.1
95.04980	6.1
95.08615	33.7
97.06531	3.0
97.10186	6.5
99.04494	3.6
105.06445	1.3
105.07040	38.9
107.08607	39.8
109.06543	5.3
109.10163	84.6
111.08198	1.7
113.06032	2.9
119.08618	3.2
121.10143	3.1
123.11726	16.8
125.09637	2.3
125.35608	1.5
127.07572	4.7
129.07054	1.8
131.08598	3.3
133.10139	85.0
134.10460	2.0
137.13295	2.4
143.08588	4.6
146.70590	1.7
151.11191	53.9
157.10132	1.8
159.11729	1.8
168.39165	1.5
169.10135	3.2
169.12280	14.8
171.11688	1.6
179.10699	2.4
181.10460	1.6
183.11726	2.7
185.13173	2.2
193.99512	1.6
195.11714	1.6
197.11710	2.1
197.13333	2.0
209.13344	1.6
215.12868	5.2
218.61049	1.5
229.13892	1.6
239.23770	9.3
246.51299	1.4
253.14371	60.5
335.90332	1.7
417.31479	2.1
435.32761	1.8
509.38361	100.0
510.38226	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	509.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.3
55.01859	6.9
55.05519	27.4
57.03432	12.6
59.05012	3.9
60.39097	3.2
60.80121	4.0
65.03938	3.0
67.05179	5.2
67.05508	68.3
68.66878	2.8
69.07082	16.7
70.67390	4.0
70.67722	6.6
71.04987	9.1
79.05495	74.2
81.03419	11.2
81.07063	100.0
83.04972	21.1
83.08649	17.4
85.06552	6.4
91.05482	64.5
93.07047	62.4
95.04971	26.3
95.08607	30.4
97.06532	9.5
97.10178	9.0
99.04467	3.5
105.04550	3.6
105.07032	46.5
107.04958	9.7
107.08620	24.1
109.06499	11.7
109.10145	11.4
117.07033	12.3
117.60088	2.9
119.08594	38.2
121.06521	6.1
121.10143	20.2
123.04492	3.0
123.08080	8.4
123.11717	16.2
125.94730	3.1
127.07513	3.3
129.06990	16.1
131.08559	8.5
133.10117	13.6
135.11691	6.0
143.08577	8.4
145.10138	12.2
147.11690	61.8
149.09647	3.4
161.09613	4.4
161.13287	10.8
163.11171	5.4
165.12762	16.7
171.11658	19.1
189.12762	13.1
193.12222	3.3
207.13779	30.2
219.13806	3.3
227.12755	6.1
229.14381	5.3
231.82861	3.3
267.15976	41.8
275.12833	3.2
281.17508	60.0
285.16959	25.7
343.97690	3.1
477.28662	3.6
491.23489	4.8
491.30096	60.4
509.27408	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	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01864	19.9
55.05521	54.9
57.03455	21.0
57.07038	5.6
59.05005	9.5
65.03902	5.5
67.05177	7.4
67.05507	84.8
69.03426	9.7
69.07089	20.7
70.85768	11.8
71.05010	34.3
79.05078	7.2
79.05503	100.0
79.05967	5.7
81.03426	29.6
81.06588	7.0
81.07065	92.5
83.04992	21.4
83.08620	26.5
85.02905	5.9
85.06525	13.2
91.05489	54.6
93.07050	94.0
95.04977	88.3
95.08620	35.6
97.02918	6.0
97.06521	15.2
97.10169	30.3
99.04459	5.7
103.05456	5.6
103.55005	4.9
105.07040	40.9
107.04968	58.1
107.08604	45.7
109.06532	69.0
109.10180	22.3
111.04456	9.5
111.08125	5.0
115.13057	5.1
117.07017	18.3
119.08614	25.7
121.06525	35.9
121.10167	47.0
123.04448	7.0
123.08054	14.3
123.11729	9.7
125.05910	6.2
125.09669	22.1
125.95399	4.4
129.07011	14.3
131.04976	5.1
131.08572	30.1
133.06560	7.9
133.10120	15.4
135.08066	31.2
135.11684	19.9
137.09703	6.7
139.03868	5.4
139.07690	5.3
139.11258	9.5
141.06946	7.1
143.08597	9.6
145.06470	15.3
145.10124	23.8
147.04411	5.4
147.08037	7.5
149.09610	12.9
149.13194	4.4
151.11186	7.5
157.10094	6.5
159.11688	10.7
161.09650	11.0
163.11192	32.2
167.10666	20.4
173.13234	8.3
177.12714	7.1
179.10742	5.0
181.12271	5.4
189.11221	16.1
191.14262	7.0
193.12268	10.6
199.13269	29.9
201.12770	6.7
205.12100	6.0
209.11652	7.9
211.13293	9.2
219.13858	52.6
223.13193	23.4
227.12700	34.8
233.15367	11.1
273.14542	5.2
273.17029	18.8
275.16562	8.3
281.06821	18.3
282.06631	6.0
293.17459	38.2
305.69769	4.7
349.21649	20.3
367.22708	49.1
385.23770	34.7
403.24789	7.5
417.26660	8.0
441.26331	7.0
459.27417	42.7
477.28445	11.2
491.29932	20.1
509.27484	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46206	3.3
52.00518	3.3
53.03942	11.9
55.01884	17.6
55.02098	3.8
55.05272	4.3
55.05516	52.4
57.03455	18.4
57.07065	5.9
61.02908	4.1
65.03922	9.3
67.05178	5.6
67.05511	88.8
69.03423	12.9
69.07072	21.5
70.06580	8.2
71.01340	10.5
71.05000	17.5
71.51107	6.6
73.02921	6.0
79.05071	6.3
79.05501	96.1
80.80207	3.3
81.03425	69.6
81.07063	96.5
83.04995	30.6
83.08620	33.6
85.02905	16.0
85.06523	8.9
91.05491	76.4
93.07052	71.6
95.04968	61.6
95.08617	42.6
97.02897	14.6
97.06519	17.9
97.10190	18.5
97.30087	4.3
103.05440	5.1
105.07039	54.3
107.04953	33.7
107.08601	55.2
109.02864	10.0
109.06544	18.1
109.10165	37.4
111.04444	19.0
111.08074	12.6
115.05460	4.1
117.07015	18.1
119.04966	6.1
119.08593	38.7
121.02859	47.1
121.06510	15.9
121.10164	25.2
123.04449	35.2
123.08043	9.7
123.11708	8.3
125.06014	5.8
125.09634	18.5
125.59013	3.6
129.06998	18.0
131.08568	22.0
133.06516	6.4
133.10121	35.1
135.08083	9.2
135.11702	41.5
137.05949	11.3
137.09648	7.4
139.03906	13.0
143.08603	9.1
145.06491	6.9
145.10146	23.7
147.04401	5.9
147.08031	10.4
147.11673	14.5
149.05980	5.8
149.09636	14.8
149.94994	3.9
151.03879	12.5
151.07535	11.1
151.11177	15.9
153.12682	7.1
155.08589	7.9
157.10138	11.1
159.11693	4.3
161.05971	6.6
161.09628	14.9
163.03856	10.8
163.07603	5.2
163.11205	47.8
165.05547	4.0
165.09074	5.9
167.07050	8.3
171.11739	5.5
173.09402	4.1
175.11154	13.5
177.05438	4.2
177.09233	3.9
177.12729	4.8
179.10631	3.6
181.12231	14.7
187.11201	5.6
189.09198	4.7
189.11166	6.6
191.10706	11.3
193.12253	47.1
195.10110	4.4
205.08574	7.7
205.12277	4.0
207.10245	7.8
207.13741	5.2
209.11742	27.5
211.13297	37.4
219.13948	5.3
225.11259	13.0
227.12807	70.6
243.12155	6.5
247.13297	7.2
249.14845	4.6
267.15970	6.7
283.15399	14.2
299.14810	14.8
327.12305	9.5
329.21115	5.0
353.21149	4.8
367.22775	5.2
371.22217	7.9
373.23608	15.6
379.87726	4.1
399.21780	6.2
417.22675	10.3
477.27441	7.5
491.26059	20.4
509.27509	100.0
509.34811	6.4
510.27945	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	509.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17550	1.1
53.03946	1.7
55.01868	2.0
65.03953	1.6
66.27391	1.2
67.05510	2.4
69.07069	1.7
69.92221	4.7
70.06595	2.6
79.05507	6.5
81.03403	1.4
81.07066	3.4
85.46898	1.3
91.05498	16.0
93.07039	4.2
94.04181	4.3
95.04987	3.3
97.02927	1.7
103.05473	3.5
105.07036	7.2
107.04972	7.2
107.08610	1.9
109.06532	3.2
115.05456	4.8
117.07037	4.0
119.04955	7.1
119.08580	2.4
121.06522	6.6
122.03661	9.1
123.04455	2.9
123.08084	3.0
129.07042	9.1
131.04935	7.9
131.08531	2.6
133.06479	3.0
135.04367	1.4
135.08066	3.0
136.05202	2.2
137.05994	100.0
143.04941	3.7
145.06467	4.4
145.10072	1.7
146.03587	1.9
146.07217	2.1
147.04437	2.1
147.08080	2.5
149.06000	5.9
149.09654	2.8
151.03920	10.9
151.07558	47.0
153.06960	1.5
157.06471	4.6
160.05209	3.4
161.06001	58.7
161.09616	10.5
163.07545	6.6
165.05484	1.7
165.06989	3.5
165.09140	3.7
167.07079	3.7
174.06775	4.3
175.07556	29.9
176.08359	1.2
177.09138	6.1
181.06470	2.2
187.07600	2.5
189.09106	31.1
191.07059	1.5
191.08644	1.5
191.10689	1.8
193.06488	2.1
194.07222	2.3
195.08109	3.7
195.10170	21.2
199.07545	2.1
205.06537	3.1
206.07292	1.9
207.08076	3.5
207.10138	24.4
209.11659	2.3
210.06775	1.7
213.09151	2.6
218.07164	1.5
219.08078	3.1
219.10120	1.3
221.05923	3.5
223.07549	2.0
223.11139	1.3
225.09100	2.4
233.05936	1.6
234.06758	5.1
235.07503	2.9
237.09076	5.9
238.06329	2.1
239.07091	2.0
239.10667	1.6
241.08499	1.6
247.07588	2.0
249.09160	4.9
250.06332	1.8
251.07060	2.6
251.10683	3.4
253.08588	4.0
254.09175	1.3
255.06584	1.6
262.06311	2.3
263.07227	1.5
263.10498	2.0
264.07666	1.6
265.08621	13.4
267.10159	3.6
270.08914	3.7
277.08615	7.3
277.12137	2.6
279.10178	4.6
281.08179	3.0
283.09686	4.7
283.12915	1.4
284.10382	1.9
285.11362	8.7
291.10226	3.6
293.08304	2.3
293.11642	2.0
294.08975	1.6
295.09601	3.6
296.10510	2.5
297.11322	14.9
299.12811	4.2
301.14359	1.7
305.11673	3.3
308.10611	1.4
309.11215	4.7
311.12808	17.8
317.14075	3.5
323.12939	8.5
337.14407	14.1
349.14331	3.4
355.15408	12.6
367.15540	6.6
446.30203	1.3
461.19608	2.0
479.20612	3.7
509.21649	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	509.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99696	0.3
70.09895	0.4
71.50569	0.8
75.99731	0.4
101.00902	2.0
119.01941	3.4
137.02957	0.7
158.99899	1.3
177.00966	10.6
178.01129	0.7
182.99893	0.9
200.97556	0.4
201.00941	2.8
216.98936	1.0
217.04092	2.7
217.99025	0.8
218.98784	0.8
219.02014	21.4
220.02080	1.0
225.00806	3.5
235.00043	2.0
236.00179	0.7
236.99744	0.8
240.98924	1.9
241.99074	1.2
242.99323	0.6
243.02003	15.0
244.02072	0.3
259.00049	6.6
260.00146	2.6
261.03070	100.0
262.03204	5.7
263.03113	1.4
264.98981	0.7
274.97968	0.5
276.98099	0.5
277.01041	3.1
278.01254	1.8
279.00903	1.9
280.00809	0.4
282.99997	13.6
284.00116	9.3
284.04877	1.1
284.99774	7.5
285.99921	1.3
300.97644	0.7
301.01041	11.7
302.01169	9.1
303.00882	6.3
303.31042	0.4
303.38559	0.4
304.01013	1.2
316.95804	0.9
318.47726	0.5
318.98923	0.8
328.97263	0.5
337.46362	0.5
357.97165	0.5
361.00031	2.2
367.02249	3.3
371.48297	0.6
379.47733	0.5
383.00220	0.9
384.00259	0.6
385.03342	26.5
386.03503	1.7
392.98270	0.5
401.01599	2.3
402.01385	2.5
403.00119	4.4
403.05051	16.7
404.00320	0.6
404.04886	0.9
406.99960	0.7
407.99802	0.6
408.04709	0.5
425.01306	3.1
426.01300	5.6
426.06772	0.5
427.01178	1.4
428.49792	0.4
437.50085	0.6
443.02298	4.4
444.02408	8.3
445.02286	2.9
446.00562	0.8
446.50229	1.1
447.00284	1.3
455.50381	0.7
456.00021	0.8
478.07034	0.4
487.99548	1.0
499.49356	1.0
499.99500	2.1
500.49374	1.0
508.49988	0.7
509.03506	9.6
517.99878	0.6
527.01178	5.8
528.01813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99090	0.5
53.03941	0.8
55.01870	0.9
55.32504	0.5
55.33454	0.4
67.05511	0.9
68.99779	0.6
69.03448	0.5
69.91152	1.4
69.91544	1.0
71.01352	0.6
79.05482	1.4
81.03429	0.9
81.07068	3.4
85.02910	0.9
91.05476	1.9
93.07059	1.3
95.04961	1.5
95.08588	1.4
102.71813	0.5
104.08169	0.5
105.03388	0.9
105.07040	0.6
107.08601	0.8
109.02879	2.6
109.06540	0.7
109.10146	1.9
111.49104	0.5
119.04968	2.4
119.08674	0.5
121.06520	2.3
123.04439	15.3
123.08099	1.3
127.03945	0.8
135.04405	1.4
137.06018	0.9
138.09196	0.7
139.03871	2.5
145.10097	0.7
147.04416	8.1
149.05986	1.8
149.09531	0.8
151.03909	86.3
152.04257	1.3
161.05992	1.0
161.32782	0.5
163.03873	2.4
165.05498	6.6
177.05484	6.4
177.09129	0.7
181.04922	0.8
191.10657	0.5
201.09113	1.8
207.06609	0.6
219.10172	100.0
220.10550	1.3
233.07776	0.5
249.11166	1.0
303.08591	4.2
353.13657	0.8
370.19968	0.7
371.14917	10.1
371.19479	0.5
376.37988	0.5
382.38583	0.6
398.11761	0.6
453.69781	0.6
508.23550	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01869	0.9
57.14140	0.4
61.04677	0.4
67.05503	1.4
68.99809	1.0
69.03429	0.5
69.07089	0.6
69.85100	2.2
70.06566	0.5
79.05499	0.8
81.03425	1.0
81.07069	2.5
87.08089	0.4
91.05486	1.3
93.07055	1.2
95.04958	1.3
95.08639	1.4
98.85685	0.5
99.65707	0.4
105.03390	0.8
105.07039	0.8
107.04958	1.2
107.08644	0.6
109.02870	1.9
109.10140	2.0
119.04953	2.9
121.06503	2.6
123.04431	14.5
123.08052	1.0
125.02289	0.6
127.03870	0.5
131.08598	0.5
133.06497	0.4
135.04454	2.0
136.11154	0.4
137.06013	0.7
138.09065	0.6
139.03917	2.4
145.10158	0.5
147.04411	8.4
149.05962	1.7
149.09636	0.9
151.03908	87.5
152.04202	0.8
161.05971	1.2
163.03963	2.2
163.07510	0.5
165.05482	7.7
173.05919	0.5
177.05481	5.0
177.09125	1.5
179.07076	0.5
180.13857	1.3
181.05006	0.7
191.07031	1.3
201.09175	1.2
219.10168	100.0
220.10445	1.3
231.10146	0.6
237.10248	1.0
249.10349	1.1
251.11830	1.2
253.09692	1.6
263.11603	0.5
265.09778	1.6
267.11176	0.5
279.11136	0.9
280.11871	0.7
295.10846	0.7
303.08685	3.4
309.12277	0.5
312.11044	1.3
325.11746	0.6
327.13373	4.3
335.10397	0.6
337.12012	0.5
339.13400	8.9
353.10849	0.6
367.12909	8.6
368.13556	1.3
370.20084	1.4
371.10468	0.8
371.14908	8.8
508.20923	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	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.05515	27.0
57.03440	4.6
57.07080	45.8
60.69429	1.2
62.81678	1.0
65.03945	4.2
66.04707	1.3
67.05510	86.6
69.03413	1.6
69.07075	26.6
69.47038	9.2
70.07369	1.1
70.46570	0.9
71.04994	3.5
71.08636	30.4
71.09014	2.3
79.05499	42.7
81.03439	4.8
81.07060	95.6
83.04996	4.4
83.08624	31.7
83.98721	1.2
84.74584	1.0
85.06555	4.4
85.10190	19.6
85.10671	1.8
87.31456	1.1
91.05486	30.5
93.07046	42.0
95.04986	4.7
95.08610	52.4
96.08958	1.7
97.06533	9.7
97.10175	12.7
98.21527	2.2
99.08114	3.2
105.04542	1.3
105.07038	12.3
107.04996	1.9
107.08599	27.7
109.06524	1.6
109.10163	30.2
109.43022	1.1
111.08080	5.3
111.11748	2.3
113.13379	1.2
117.07005	8.2
119.06041	1.2
119.08568	9.3
121.06556	1.4
121.10151	14.6
123.08119	1.5
123.11708	10.7
125.09682	3.4
129.07013	2.2
131.08578	10.5
133.10132	12.7
133.10933	1.1
135.08101	3.3
135.11694	10.3
137.13286	2.9
145.10161	3.7
147.11710	4.1
149.09628	2.3
149.13275	21.8
151.11212	2.1
151.14880	1.5
157.10213	1.8
159.11703	9.6
161.13252	2.5
163.11176	1.4
163.15015	1.2
167.14386	1.3
171.11729	2.0
173.11810	3.8
173.13298	1.8
177.12767	5.9
189.11263	1.9
193.12230	1.6
195.13844	10.6
213.14984	1.7
221.22824	1.7
227.12949	2.2
229.14452	4.8
239.23718	11.3
261.22299	4.3
273.83188	1.3
333.41214	1.3
335.26154	3.9
376.90506	1.2
397.30850	1.3
415.32178	1.3
489.35641	6.5
495.05579	1.2
507.40656	100.0
508.41266	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	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01884	1.3
55.05266	1.3
55.05514	17.5
57.03425	1.4
57.07079	48.2
65.03937	3.2
67.05508	56.5
69.07072	22.0
69.18238	2.3
69.18658	6.5
71.04993	3.1
71.08635	34.1
76.87460	0.9
79.05495	30.7
81.03429	1.7
81.07061	79.9
83.04988	3.0
83.08148	1.8
83.08624	24.6
85.06542	2.4
85.10182	20.3
91.05480	18.2
93.07048	39.2
95.04959	4.8
95.08609	39.0
97.06536	7.0
97.10181	6.3
99.08096	1.7
99.11723	1.2
105.04521	1.3
105.07018	5.7
105.58329	0.9
107.08591	19.6
107.84450	0.9
109.06530	1.1
109.10155	14.8
111.08078	4.2
111.11763	1.6
117.07014	5.9
119.08612	1.5
121.06522	1.4
121.10155	9.4
123.11720	7.7
125.13250	1.3
127.73389	0.9
131.08543	4.9
133.10146	9.6
135.08054	2.1
135.11690	7.6
137.13304	2.6
146.61163	0.9
148.99644	1.0
149.13271	23.7
151.11186	0.9
159.11700	7.5
167.14334	1.7
177.12773	4.9
195.13799	13.8
207.98860	1.0
213.14871	2.0
221.22673	1.5
239.23715	8.4
480.47839	0.9
507.40482	100.0
508.41055	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	507.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01881	1.6
55.05516	16.7
57.03422	2.4
57.07080	41.5
58.59121	1.1
65.03936	2.6
67.05509	52.3
69.06736	1.5
69.07076	20.1
70.16312	3.8
71.04996	3.0
71.08640	30.5
74.65045	1.3
77.03922	1.3
78.35136	1.1
79.05500	29.1
81.03447	2.5
81.07063	68.9
83.04977	3.7
83.08627	21.7
85.06557	3.2
85.10187	17.2
91.05489	19.1
93.06487	1.9
93.07055	35.0
95.04972	3.6
95.08614	39.0
97.06513	5.0
97.10174	7.0
99.08071	2.7
100.59205	1.1
105.04513	1.6
105.07023	4.7
105.82636	1.3
107.08602	20.7
109.06512	1.7
109.10163	16.2
111.08086	4.8
111.11711	1.8
117.07021	5.0
119.08613	1.7
121.06510	1.6
121.10146	12.0
123.11716	6.0
123.49264	1.1
125.13256	1.3
131.08588	6.6
133.10162	7.0
135.11713	6.2
137.13278	3.4
149.09673	1.5
149.13272	24.7
151.14865	1.6
153.10239	1.1
159.11719	12.0
177.12761	5.1
195.13815	13.8
195.77243	1.1
213.15019	1.6
239.23669	9.8
325.49655	1.4
377.52277	1.2
507.40475	100.0
508.40970	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01868	1.6
55.05515	20.3
57.03436	3.0
57.07078	47.1
64.14370	1.2
65.03942	4.3
66.44354	1.2
67.05508	70.9
68.05846	1.2
69.07070	21.7
70.90335	1.4
70.90668	2.7
71.04998	3.2
71.08635	32.6
79.05501	31.4
79.05968	1.4
80.48463	1.2
81.03406	2.1
81.07060	86.3
83.04980	2.6
83.08624	27.3
85.06551	4.7
85.10185	18.0
91.05490	20.8
93.07050	37.5
95.04975	1.7
95.08612	44.1
97.06529	6.2
97.10167	7.8
105.04494	1.8
105.07043	7.7
107.08594	20.9
107.71827	1.1
109.06529	1.7
109.10158	22.2
111.08102	4.5
111.11740	1.5
113.09676	1.3
117.07031	6.5
119.08624	2.4
121.10130	10.3
123.11694	10.7
125.09652	2.0
129.60222	1.2
131.08575	7.2
133.10143	10.7
133.27177	1.4
135.08121	1.9
135.11688	9.1
137.13275	3.4
145.10190	1.6
147.11702	2.7
149.13281	23.7
149.14400	2.0
159.11699	10.3
173.11787	1.4
177.12798	4.2
191.72157	1.2
195.13828	11.8
205.95612	1.1
213.14861	1.6
221.22672	1.3
229.14436	4.3
239.23727	11.3
261.22183	2.9
335.25845	2.8
489.35910	3.9
507.40558	100.0
508.40808	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	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73435	1.0
53.03941	4.6
54.84444	1.0
55.01850	1.7
55.05516	17.9
57.03439	2.2
57.07079	57.1
59.05006	1.0
59.93647	1.0
65.03936	2.0
67.05509	69.1
67.72321	1.0
68.05827	1.2
69.07072	25.6
69.28208	6.3
69.28634	3.3
71.04990	3.0
71.08244	1.2
71.08637	34.0
79.05499	35.0
81.03422	5.0
81.07061	86.7
82.07397	1.4
83.04989	3.7
83.08624	25.7
85.06557	3.6
85.10188	20.7
91.05484	24.0
93.07050	38.0
95.04977	4.6
95.08614	43.5
97.06536	6.2
97.10190	9.7
98.21675	1.4
99.08106	1.6
99.11747	1.3
99.43091	1.1
99.82258	1.1
105.04535	1.9
105.07021	7.6
107.08605	20.4
109.06526	1.3
109.10156	16.7
111.08096	3.0
111.11714	2.0
117.07001	6.5
119.08588	3.2
121.10158	10.7
123.11703	10.0
131.08585	6.8
133.10147	8.8
133.80751	1.2
135.11688	8.6
137.13280	3.2
142.75394	1.3
149.13269	22.5
151.14813	1.3
159.11693	9.3
159.25708	1.1
166.74474	1.2
177.12823	3.9
193.12323	1.4
195.13789	11.6
213.14883	2.6
221.22701	1.8
239.23700	9.2
321.95084	1.1
351.42151	1.2
356.57660	1.0
489.36111	1.1
507.40500	100.0
508.40775	4.0
508.47455	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	507.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28821	1.5
53.03945	3.6
55.01863	2.4
55.05515	28.3
57.03445	8.8
57.07089	8.8
59.04986	4.4
62.37920	1.5
65.03928	3.5
67.05510	100.0
69.03403	1.5
69.07081	14.8
71.04974	4.8
71.08617	3.8
71.16283	2.9
74.28829	1.5
75.75884	1.4
78.18531	1.2
79.05494	35.7
81.03409	3.6
81.07064	70.4
83.04993	2.6
83.08623	17.4
85.06540	3.7
85.10172	2.1
91.05488	23.1
93.06496	2.3
93.07053	41.9
95.04967	4.3
95.08615	50.4
97.06501	3.0
97.10186	17.5
99.08060	2.6
105.04561	2.3
105.07046	18.7
107.08603	25.8
109.06519	2.8
109.10163	57.5
111.08067	4.3
117.07043	7.4
119.07932	1.4
119.08609	15.8
121.10142	19.2
123.11658	8.0
125.09654	10.5
129.06961	4.2
131.08577	13.5
133.10152	11.5
135.08057	3.1
135.11702	17.7
137.09668	2.7
137.13228	4.4
139.11198	1.8
143.08562	2.7
145.10147	11.8
147.11684	12.2
148.74451	1.5
149.13292	10.5
155.10683	5.5
157.10146	3.1
159.11696	8.6
161.13249	5.2
163.11200	2.2
163.14764	4.6
171.11624	2.7
173.11749	10.5
173.13246	6.5
177.16327	2.0
183.11649	1.5
185.13281	2.1
187.14792	5.1
189.11237	9.6
195.00294	7.2
199.14830	2.6
227.12788	9.5
229.14357	32.6
231.15829	2.6
233.22728	2.4
243.21062	4.0
259.20679	2.1
261.22168	34.6
263.23611	2.5
279.23080	2.3
313.27515	1.6
317.24661	4.3
335.25851	21.7
379.29596	2.9
397.31247	8.3
415.31790	6.1
433.33270	7.8
449.32608	1.6
460.92072	1.6
471.34607	4.0
489.35815	32.4
507.36688	21.2
516.36865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01865	3.4
55.05514	25.9
57.03446	9.7
57.03666	1.6
57.07072	6.6
59.04988	2.1
65.03957	3.1
67.05511	100.0
69.03423	2.3
69.07076	18.4
71.04995	6.1
71.08640	3.6
79.05071	2.8
79.05502	36.2
81.03429	2.5
81.07062	67.9
83.04939	3.0
83.08630	16.7
85.06532	5.4
91.05488	23.4
93.07055	38.9
95.04940	3.0
95.08614	40.6
97.06525	3.1
97.10172	15.9
99.08104	2.5
105.07037	16.5
107.08598	26.6
109.10164	59.7
111.08083	3.3
113.09707	1.9
117.07023	9.4
119.08583	20.1
121.10156	19.1
123.08006	1.7
123.11716	8.5
125.09646	12.8
129.06969	1.6
131.08565	14.7
133.10161	14.6
135.08061	2.1
135.11687	14.5
137.09604	4.4
137.13225	2.6
143.08585	2.7
145.10175	10.3
147.11710	8.1
149.09637	2.3
149.13304	8.2
155.08495	1.7
155.10680	2.9
157.10201	2.5
157.33028	1.6
159.11743	11.1
161.13255	7.3
163.14804	4.9
173.11728	11.0
173.13286	9.1
174.69124	2.0
175.14842	3.0
177.50110	1.6
185.13268	3.1
187.14861	2.8
189.11256	7.2
205.15698	1.7
227.12766	10.0
229.14374	36.7
229.40382	1.8
243.21230	2.8
253.90167	1.9
259.20639	3.0
261.22119	22.5
263.23785	2.1
279.23029	2.1
317.24731	3.5
335.25815	16.7
379.29810	2.9
397.30862	5.9
415.31940	7.1
433.32892	6.2
462.08063	1.8
471.34494	3.5
489.35843	33.3
507.36035	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	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56111	3.2
52.24537	2.9
52.71623	3.2
55.05515	9.5
56.40489	3.1
57.03451	6.0
57.19570	3.2
63.15240	3.1
67.05504	13.7
68.09679	3.1
68.24467	3.0
69.03426	4.8
69.07069	17.0
70.06597	100.0
71.05000	9.3
71.06943	17.2
71.51991	3.8
79.05492	12.2
81.07059	29.0
83.08631	4.6
84.08149	4.0
85.02907	16.9
85.06518	4.0
86.09761	3.4
91.05491	10.7
93.07047	17.3
95.08622	32.0
97.06531	3.6
97.10168	6.3
98.97560	6.3
99.08038	5.7
105.07025	6.2
107.04985	4.9
107.08611	15.4
109.06512	3.7
109.10162	29.0
119.04911	4.6
119.08605	5.5
120.08173	3.9
121.02889	20.3
121.06525	6.1
121.10146	13.8
122.03251	6.6
123.04423	20.0
123.11695	23.2
129.05318	3.9
131.04968	4.0
135.04462	4.8
135.11693	9.4
137.06010	11.2
137.13274	4.8
139.03882	8.0
147.04344	3.9
147.11732	5.7
149.06007	5.2
149.13261	11.4
151.07552	8.5
163.07692	3.6
163.14859	8.4
165.05576	3.7
165.16389	4.0
167.06989	4.1
177.05438	41.4
178.05849	19.1
179.17947	3.5
217.19537	3.3
273.25754	5.4
291.26755	17.1
299.05392	3.8
309.27924	6.4
320.77051	3.7
355.11639	5.7
367.12180	6.2
408.17471	3.4
450.13031	6.0
489.15695	4.9
507.18402	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
54.92841	3.4
55.01885	3.2
55.05505	11.4
56.20139	2.7
57.03443	3.1
57.07074	4.9
67.05511	18.0
68.99815	3.2
69.03421	5.0
69.07072	21.3
70.06599	100.0
71.04979	7.6
71.06939	15.1
71.60098	2.6
72.08153	5.3
79.05494	11.3
81.03423	4.2
81.07066	50.0
81.38573	2.8
83.04996	3.5
83.08632	6.5
84.08147	3.3
85.02934	18.2
85.06547	7.4
86.09709	3.6
91.05477	7.6
93.07032	15.4
95.04977	2.8
95.08621	39.5
97.02897	5.7
97.06544	4.8
97.10155	6.7
98.97560	6.3
99.08083	5.1
103.05458	5.6
105.07043	10.0
107.04968	7.1
107.08592	19.3
109.10162	31.3
111.08055	5.0
111.11739	3.8
112.79282	3.0
117.07017	3.0
119.04930	4.4
119.08595	4.5
121.02877	22.5
121.06504	5.4
121.10156	13.2
123.04430	17.6
123.11706	19.9
129.05537	4.9
133.10089	3.6
135.04384	3.1
135.11702	8.9
137.05977	16.1
137.13232	6.7
139.03908	9.1
147.11742	5.4
149.05968	11.3
149.13271	15.1
151.03917	6.8
151.07584	4.1
161.06021	7.9
161.13248	3.8
163.03938	7.6
163.06215	3.2
163.14859	7.9
163.67107	3.3
167.07076	9.0
167.14264	3.0
173.05914	3.9
177.05470	42.4
177.16359	9.5
178.05876	20.7
179.18044	3.2
181.05005	3.4
187.04149	2.7
189.05441	3.8
189.09186	4.8
191.17981	4.9
205.19586	5.1
206.04463	4.9
209.19016	3.2
217.19501	4.6
263.11752	6.1
269.04321	3.8
273.25784	7.8
291.26889	22.1
309.27631	4.6
311.09274	3.8
355.11618	7.5
367.12103	5.6
368.13431	3.3
378.93146	3.3
450.12503	5.5
489.15558	9.2
507.18353	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01876	3.4
55.05516	28.3
57.03448	2.5
57.07082	36.8
65.03948	2.2
67.05508	40.3
69.03428	2.1
69.07076	24.9
69.16389	7.3
71.05013	1.7
71.08639	25.7
79.05503	23.8
81.03426	68.5
81.07064	47.4
83.04993	2.5
83.08627	38.8
84.08993	0.7
85.06554	1.3
85.10194	11.4
85.10668	1.1
91.05489	21.7
93.07049	19.5
95.04974	20.0
95.08614	27.5
97.02923	2.1
97.06556	3.1
97.10185	16.9
97.10779	1.2
98.21489	1.3
99.08139	1.1
99.11766	1.2
103.05508	1.1
105.07049	12.7
107.04966	4.3
107.08607	11.2
109.06547	1.9
109.10165	12.9
111.04501	1.0
111.08085	7.1
111.08640	0.6
111.11723	5.1
114.73824	0.8
115.05502	2.1
117.07037	3.0
119.04966	0.8
119.08594	9.7
120.08945	0.8
121.06491	2.0
121.10139	7.9
123.11704	6.4
125.09674	2.7
125.13273	1.9
128.06271	1.1
129.07027	7.8
131.08588	8.2
133.06528	2.0
133.10152	5.8
135.08061	1.8
135.11719	5.2
137.09619	1.5
137.13333	2.3
142.07814	2.7
145.10156	2.0
147.08078	2.3
147.11691	4.2
149.09662	3.5
149.13292	6.5
157.10130	7.8
159.11760	2.7
165.12837	1.6
175.11206	7.5
177.12788	1.5
189.11302	2.1
192.70541	0.8
193.12265	29.6
195.13780	3.7
206.02550	0.8
217.53203	0.8
227.12833	2.1
231.13841	1.0
237.20192	0.7
237.22031	3.8
239.23711	9.1
249.14905	6.4
261.22226	1.3
277.21735	0.8
281.73700	0.7
383.60831	0.8
386.91177	0.7
402.90805	0.8
467.19766	0.8
505.39041	100.0
506.38992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
53.03947	5.0
55.01863	2.9
55.05516	17.7
57.03442	1.7
57.07080	46.3
65.03930	1.8
67.05508	34.2
69.03419	1.1
69.06725	1.4
69.07073	16.4
69.39575	5.6
71.04986	1.3
71.08637	30.4
77.03906	0.8
79.05497	16.0
81.03423	91.6
81.07061	36.7
81.07463	0.6
83.04966	4.6
83.08624	33.6
85.06561	1.2
85.10186	17.7
91.05486	20.7
93.07042	13.4
95.04976	22.0
95.08614	31.3
97.02886	2.0
97.06552	1.8
97.10168	9.8
99.08114	0.8
99.11758	1.0
103.33875	0.8
105.04554	0.8
105.07041	12.9
105.15455	0.8
107.04955	6.3
107.08602	5.0
109.06557	2.1
109.10162	12.4
111.04479	2.1
111.08079	9.4
111.11728	2.0
115.05434	1.0
117.07034	2.9
119.04961	1.4
119.08588	9.2
121.06507	2.6
121.10133	6.5
123.08108	1.3
123.11716	7.3
125.13264	1.0
128.06252	1.1
129.07033	9.5
131.08582	10.2
133.06491	2.2
133.10146	4.2
135.11702	1.2
137.09625	1.3
137.13287	2.8
142.07805	3.4
145.10190	1.1
147.08060	2.8
147.11665	5.6
149.09627	4.3
149.13278	2.5
151.14819	1.6
157.10149	9.8
165.12775	1.6
165.16449	0.8
175.11211	8.9
193.12257	45.3
195.13869	1.2
213.12663	1.0
221.22716	1.3
237.22058	1.2
239.23735	9.5
249.14841	7.7
276.29242	0.8
280.45743	0.9
300.74551	0.8
383.40900	0.9
417.83380	0.9
505.38913	100.0
506.39154	2.6
521.38776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.0
53.03955	6.1
55.01879	2.3
55.05516	16.1
57.03444	2.5
57.07081	47.0
58.36004	0.9
65.03941	2.1
67.05510	38.1
68.93293	0.8
69.03440	2.2
69.07072	15.3
71.05003	1.8
71.08636	32.1
73.39806	0.8
79.05499	18.2
81.03425	100.0
81.07061	38.7
83.05002	3.6
83.08624	34.7
85.06544	2.4
85.09717	1.8
85.10188	18.7
85.10672	1.5
91.05491	20.7
91.06027	1.9
93.07055	14.2
95.04974	24.8
95.08613	37.3
97.02895	2.6
97.06548	1.6
97.10184	12.3
98.20714	1.8
99.08092	1.5
99.11737	1.2
105.07044	17.6
105.07697	1.6
106.04055	0.9
107.04973	5.8
107.08579	5.9
109.06522	2.8
109.10172	15.7
111.04430	1.9
111.08069	8.6
111.11722	2.4
115.05502	1.5
117.07036	3.1
119.04959	0.9
119.08587	13.8
121.06512	3.4
121.10179	8.0
123.08054	1.9
123.11723	6.3
125.09681	2.2
125.13235	2.1
128.06248	1.2
129.07008	11.2
131.08585	8.0
133.06514	2.4
133.10126	5.6
135.11699	2.2
137.09633	1.4
137.13268	2.3
142.07852	2.9
145.10179	2.1
147.08040	3.4
147.11682	7.2
149.09631	2.9
149.13268	1.9
151.14830	1.0
152.94441	0.9
157.10138	9.4
159.11703	1.3
160.84459	0.9
165.12749	1.3
165.16440	1.9
175.11206	9.7
177.97543	0.8
183.44089	0.8
193.12260	57.0
221.22644	1.3
227.12880	1.5
231.13795	1.3
239.23705	12.0
249.14888	7.0
275.23779	0.9
391.39236	1.0
505.38947	98.3
506.39227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
53.55482	1.4
54.79696	1.2
55.01861	2.7
55.05514	20.5
57.03430	6.3
57.07080	51.0
65.03936	3.5
67.05510	63.8
69.03421	2.3
69.07072	15.9
69.23692	11.4
71.04992	2.9
71.08636	35.0
79.05098	0.9
79.05500	26.1
81.03424	100.0
81.06588	2.2
81.07063	43.2
83.04984	3.4
83.08626	34.7
85.06570	2.2
85.10191	19.9
91.05488	31.6
93.07050	20.5
95.04977	30.4
95.08611	42.7
97.02890	2.2
97.06545	2.7
97.10178	10.0
98.20766	2.3
99.08115	1.7
99.11751	1.5
105.07035	26.0
107.04946	6.2
107.08604	9.1
109.06510	3.2
109.10165	35.6
111.04449	1.5
111.08089	9.2
115.05469	1.3
117.07034	5.9
119.08598	20.2
121.06552	2.3
121.10184	8.9
123.04415	2.3
123.08065	2.4
123.11736	8.0
125.09639	2.6
125.13253	1.7
129.07007	13.0
131.08580	12.8
133.06506	2.9
133.10146	10.1
135.11702	3.2
137.09647	1.7
137.13245	3.5
142.07825	4.4
143.08629	2.1
145.10175	4.4
147.08058	3.2
147.11707	16.0
149.09642	5.6
149.13268	2.6
151.14879	1.9
155.10648	2.1
157.10146	10.9
159.11707	3.9
161.13278	5.6
165.12776	2.8
165.16586	1.3
171.11746	2.9
173.11781	6.1
173.13193	2.7
175.11163	11.2
175.14865	1.8
179.14384	2.5
185.13257	3.2
193.12257	61.0
221.22722	2.2
227.13025	1.3
229.14384	15.7
231.20892	1.5
235.36931	1.2
239.23714	10.6
241.19629	5.7
241.88388	1.1
249.14906	7.5
259.20569	14.3
261.22253	1.8
277.21671	2.4
333.24347	7.9
351.25412	1.8
425.36847	1.3
437.46286	1.6
439.14804	1.4
487.34100	2.5
505.39011	93.7
506.39474	1.8
529.46326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20061	1.0
53.03947	4.9
55.01868	2.7
55.05270	1.9
55.05514	24.3
57.03447	8.1
57.07081	13.9
59.04996	4.6
59.61355	1.4
65.03928	3.3
67.05509	100.0
68.05856	1.4
69.03435	1.3
69.07072	13.7
70.18095	5.4
71.04994	4.0
71.08633	10.0
79.05068	2.1
79.05499	29.6
81.03420	25.0
81.06593	2.1
81.07063	39.5
83.04958	1.7
83.08627	20.0
85.06547	3.0
85.10182	5.1
91.05489	42.2
93.07048	31.6
95.04967	9.4
95.08617	29.3
97.06506	2.6
97.10188	10.2
99.08098	3.0
100.40152	1.3
103.05493	1.6
105.07031	35.3
107.04933	2.5
107.08601	19.1
109.06549	1.5
109.10165	58.2
111.08097	6.7
113.09682	1.2
115.05383	1.7
117.06998	8.0
119.08597	33.5
121.06496	1.7
121.10144	11.1
123.11715	3.1
125.09625	7.1
126.35553	1.4
128.06200	1.9
129.07036	8.0
131.08591	15.2
133.10143	24.2
135.08035	2.2
135.11710	11.6
137.05434	1.2
137.09634	3.8
142.07767	2.6
143.08549	4.1
145.10123	13.8
147.08029	2.3
147.11707	25.9
149.09564	3.3
149.13271	6.6
155.10655	6.4
157.10107	7.0
159.11731	7.8
161.13255	17.5
163.11232	1.7
163.14862	2.1
165.12744	1.7
171.11681	6.6
173.11736	16.8
173.13268	7.7
175.11165	4.6
175.14838	6.8
177.12793	1.4
179.14418	1.5
185.13280	4.7
187.14890	2.6
189.11256	5.3
193.12263	18.3
195.00330	3.5
199.14853	2.3
203.52104	1.4
212.86269	1.2
213.16347	1.4
217.19411	1.4
227.12807	7.2
229.14368	43.0
231.21071	5.2
239.23779	2.4
241.19542	18.9
243.21150	1.8
249.14842	3.0
259.20590	47.4
260.20959	1.5
261.22165	5.0
277.21576	2.3
315.23209	4.3
320.61099	1.3
333.24246	20.7
413.30255	2.7
429.32571	1.3
462.20142	1.1
465.15988	1.4
487.34387	9.3
505.38528	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51773	1.3
53.03952	7.1
55.01865	2.8
55.05510	23.1
57.03442	9.1
57.07079	33.8
59.04994	3.3
63.05284	1.2
65.03942	3.6
67.05508	100.0
68.05831	1.3
69.03428	1.5
69.06725	1.7
69.07070	14.4
71.04991	5.0
71.08242	1.2
71.08630	24.2
71.51720	1.3
79.05495	32.5
81.03422	68.7
81.07057	54.9
83.04980	5.9
83.08147	2.2
83.08621	33.0
85.06529	3.9
85.10184	12.4
91.05484	48.0
93.07043	34.6
95.04965	18.3
95.08611	36.2
97.06541	3.3
97.10176	8.1
99.08102	2.7
103.05450	1.7
105.07031	43.4
107.04971	5.2
107.08604	17.7
109.06554	2.4
109.10158	65.7
111.08095	9.8
115.05450	1.9
117.07031	8.6
119.08584	36.5
121.06486	2.3
121.10143	17.0
123.04472	1.5
123.11682	6.3
125.09612	2.2
125.13268	1.5
128.06226	1.4
129.06990	11.3
131.08571	18.3
133.06416	2.1
133.10143	20.5
135.08043	2.1
135.11696	10.1
137.09621	4.2
137.13242	2.6
140.60474	1.2
142.07790	3.5
143.08560	4.3
145.10144	8.5
147.08070	3.0
147.11685	25.8
149.09625	3.3
149.13258	7.5
155.10696	6.0
157.10146	11.0
159.11682	9.2
161.13245	14.5
163.11075	1.5
163.14862	2.1
171.11697	5.2
173.11748	15.7
173.13281	6.4
175.11174	9.1
175.14870	8.6
177.12804	2.3
179.14323	6.2
185.13235	6.1
186.68935	1.2
187.14830	2.6
189.11154	3.1
193.12253	46.9
199.14890	2.7
224.28751	1.2
227.12724	5.9
229.14343	37.8
231.21088	4.6
239.23752	7.3
241.19511	17.9
249.14861	5.8
253.83076	1.3
259.20575	43.5
261.22311	2.5
277.21585	5.8
315.23087	3.1
333.24261	19.8
367.12787	1.4
413.30453	2.4
487.34357	7.4
505.39267	68.7
506.39185	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01856	1.4
55.05515	12.6
57.03447	9.0
57.07070	1.1
59.04986	4.0
62.39518	1.1
65.03930	4.1
67.05510	100.0
69.07071	6.2
70.09048	2.8
70.09432	2.0
71.04972	3.8
71.08626	1.5
79.05064	1.9
79.05496	22.6
81.03403	1.1
81.07065	28.7
83.08621	10.9
85.06546	2.1
85.58238	1.3
91.05490	38.6
93.07050	27.2
95.04935	2.7
95.08614	19.5
97.10199	2.7
99.08088	2.2
105.07040	27.6
107.08615	17.3
109.06490	2.0
109.10164	73.1
111.08065	3.1
112.74773	1.3
117.07028	9.6
119.08589	27.7
121.10152	10.2
123.11705	1.7
125.09621	2.0
128.06181	1.5
129.05498	1.4
129.07014	6.6
131.08595	11.5
133.10158	21.3
135.11665	10.8
135.35287	1.3
137.09605	3.4
143.08542	4.5
145.10146	11.1
147.11687	23.5
149.13264	7.7
155.10672	11.4
157.10161	4.5
159.11665	8.2
161.13266	20.1
163.14812	2.5
171.11694	6.8
173.11729	18.6
173.13257	5.6
173.14563	1.1
175.14842	10.4
178.18507	1.2
185.13271	4.8
187.14807	2.6
189.11293	2.2
199.14848	3.8
215.17816	1.3
217.19685	1.4
227.12834	6.2
229.14378	53.7
231.21062	5.4
241.19519	22.7
243.20930	1.2
259.20599	48.6
260.20868	1.7
261.22202	2.8
269.97116	1.1
273.73602	1.2
277.21692	1.6
315.23349	2.9
333.24252	27.0
395.29388	1.9
413.30316	2.7
487.34180	9.3
505.35300	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	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03946	2.8
55.01869	2.2
55.05514	14.1
57.03437	8.2
57.07072	2.3
59.05001	4.4
65.03938	3.7
67.05507	100.0
68.05868	1.2
69.07066	8.4
69.23513	8.7
70.32062	0.8
71.04999	3.6
77.03936	1.1
79.05495	24.5
80.84762	0.8
81.03426	1.2
81.06584	1.9
81.07060	32.9
83.04996	1.5
83.08617	7.8
85.06547	3.5
90.07429	1.1
91.05486	35.2
93.07047	26.6
95.04982	2.1
95.08615	16.8
97.06557	1.4
97.10188	2.0
99.08107	1.7
101.80920	0.9
103.05471	1.4
105.07041	30.6
107.08599	17.8
109.10162	64.8
111.08076	3.1
116.06227	0.8
117.07024	8.4
118.36263	0.8
119.08588	33.8
121.10145	11.0
123.08048	1.0
123.11687	1.3
124.49277	0.9
125.09650	2.5
128.06169	1.0
129.06979	5.3
130.07736	1.4
131.08565	11.7
133.10141	23.0
133.11099	1.6
135.08064	1.1
135.11685	10.1
137.09618	3.1
143.08597	5.0
145.10135	11.1
147.11682	27.0
149.09624	2.1
149.13289	6.1
151.11285	1.0
155.10683	9.0
157.10130	5.3
159.11723	10.4
159.19560	0.8
161.13257	20.0
163.14856	2.4
169.10164	1.1
171.10248	1.4
171.11656	7.4
173.11752	15.6
173.13298	5.4
175.14830	8.2
177.12695	1.5
183.11726	1.6
185.13252	6.3
187.14861	2.0
189.11227	1.8
189.12784	1.6
189.16454	1.2
199.14861	3.9
201.16412	1.3
213.16479	2.2
215.17912	1.0
217.19492	1.9
227.12799	5.5
229.14357	44.8
231.21053	4.5
241.19524	19.7
243.21054	1.4
259.20581	43.7
260.21201	1.1
261.22183	3.5
277.21625	1.3
303.23175	1.1
315.23282	3.5
333.24249	23.5
390.64023	0.9
395.29715	1.7
487.34286	6.7
505.35260	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01874	1.9
55.05512	16.7
57.03438	8.6
57.07059	2.5
59.04990	3.2
65.03944	3.7
65.04234	0.9
67.05509	100.0
69.03430	1.4
69.07073	8.1
69.45899	5.3
70.34058	0.7
71.04972	3.9
71.08639	1.3
78.47195	0.8
79.05495	27.4
81.03415	1.1
81.06592	1.7
81.07062	33.2
81.59697	0.7
83.04981	2.0
83.08625	8.6
85.06541	3.7
91.05488	39.1
93.07053	32.0
93.07644	1.8
95.04973	2.7
95.08616	18.6
97.06530	2.1
97.10188	2.9
99.08088	2.5
103.03932	1.1
103.05458	1.2
105.04516	1.2
105.07037	39.8
107.08603	18.3
109.10164	62.7
110.10478	1.0
111.08092	2.6
117.07024	9.1
119.08589	38.4
121.10149	13.1
123.08069	1.3
123.11724	2.1
125.09650	4.1
128.06232	1.5
129.07022	5.6
130.07825	1.0
131.08571	13.6
133.09099	1.5
133.10144	25.4
135.08105	1.2
135.11693	11.8
135.26881	0.8
137.09613	3.4
143.08569	6.5
145.10143	14.7
147.11702	28.5
149.09682	1.0
149.13264	7.6
155.08588	1.0
155.10692	7.1
157.10156	6.1
159.11703	10.1
161.13263	24.5
162.13731	1.1
163.11157	2.1
163.14838	2.9
163.29950	0.9
169.10156	1.0
171.11676	8.1
173.11740	17.5
173.13266	8.5
175.14847	8.5
177.12827	1.6
183.11722	1.4
185.13309	6.5
187.14793	2.5
189.11266	2.2
189.12730	1.1
189.16446	1.5
199.14874	4.3
201.16364	0.9
213.16409	0.8
215.18011	1.2
216.72368	0.9
227.12839	5.3
229.14368	43.4
230.14720	1.0
231.21118	5.7
241.19525	22.0
259.20593	53.4
260.20880	1.7
261.22189	3.9
277.21606	2.3
315.23203	4.0
323.95331	1.0
326.00864	0.8
333.24225	24.4
395.29462	1.9
413.30414	1.8
487.34256	9.2
495.35489	0.9
505.35226	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	505.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.8
55.05499	11.5
57.07064	7.1
63.06952	5.3
67.05502	61.1
69.03438	16.8
69.07063	27.5
69.88424	20.8
69.88842	9.4
70.06593	26.7
71.04978	17.6
72.08146	6.1
79.05483	39.9
81.03417	10.8
81.07061	100.0
83.04970	12.0
83.08609	20.4
85.02921	34.8
85.06544	8.3
86.09743	5.9
86.68043	6.3
88.78748	5.7
91.05470	35.5
93.07047	54.1
95.04951	12.1
95.08607	75.3
96.04470	8.0
97.02894	16.3
97.06517	12.8
98.20833	9.5
99.08114	10.4
103.05548	6.4
105.07047	41.7
107.04940	7.0
107.08595	40.9
109.02876	8.7
109.06524	8.0
109.10161	59.8
113.03490	9.6
119.08614	32.4
121.02954	5.8
121.06492	12.4
121.10139	32.6
121.41080	5.8
123.04411	19.8
123.11698	17.5
131.08577	14.5
133.10133	56.7
135.11696	22.3
137.02318	9.1
137.05965	22.8
137.09622	21.8
137.13234	8.9
139.03918	8.4
139.11162	6.4
145.10107	12.0
147.04419	6.8
147.11707	15.6
149.13286	24.5
151.03975	13.1
153.01837	29.2
159.11661	14.5
161.13251	12.0
163.03944	8.3
163.14799	18.2
167.07039	15.6
173.13179	6.5
175.14902	11.1
177.05495	12.2
181.05048	8.8
191.14258	11.1
198.05890	10.9
201.16501	6.4
215.17790	8.1
218.87357	6.8
271.24200	10.4
289.25262	10.5
395.21274	6.5
505.14410	18.8
505.22986	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	505.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	14.4
55.01864	6.3
55.05518	27.7
57.03445	10.8
57.07078	1.9
59.04989	2.0
65.03932	5.6
67.05511	86.0
69.07077	16.5
71.05005	3.0
71.16789	3.7
71.89963	1.9
77.03947	3.6
79.05499	100.0
81.03414	10.2
81.07063	63.8
82.40427	2.0
83.04980	15.2
83.08632	11.0
85.02919	2.2
85.06535	6.9
91.05488	83.0
93.07050	96.4
95.04971	21.8
95.08609	36.6
97.06532	8.4
97.10136	4.1
99.08092	3.0
105.04557	5.0
105.07042	61.7
107.04975	9.7
107.08607	25.1
108.46390	1.9
109.06528	10.7
109.10171	23.4
111.08107	4.0
115.25377	2.1
115.44563	1.9
117.06335	2.1
117.07012	12.1
119.08586	33.3
120.78625	2.1
121.06490	4.3
121.10138	9.5
123.08064	8.6
128.06227	7.2
129.07022	25.8
131.08575	8.2
133.10152	16.8
135.11708	5.4
137.09572	2.4
141.07095	2.0
143.08571	12.8
145.10112	13.8
147.08067	4.2
147.11703	58.8
151.35185	2.0
156.36516	2.1
159.11710	5.1
161.09644	7.2
161.13268	20.2
163.11238	3.7
171.11690	42.3
173.11815	4.5
173.13213	2.2
179.14311	4.3
189.11281	3.1
189.12776	23.8
199.14844	2.0
207.13834	52.1
208.14177	2.3
225.14803	3.5
229.14348	10.3
241.19582	2.8
259.20624	8.5
275.19882	2.1
277.21622	4.1
279.16183	2.1
281.17496	69.0
295.22815	2.3
314.64917	2.2
333.24283	5.8
442.81369	2.1
471.42914	2.1
487.30508	58.1
505.33987	4.3
524.35852	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.1
55.01888	7.6
55.05508	18.8
55.43916	7.4
57.07079	11.1
59.84724	6.7
60.35226	7.7
67.05520	50.2
69.03431	12.3
69.07067	22.3
70.06601	19.7
71.50905	14.2
79.05506	35.7
81.07068	100.0
83.08622	11.3
85.02909	19.1
85.06559	17.3
87.05548	9.4
88.29752	8.7
89.06052	14.3
91.05465	36.9
93.07052	53.3
95.05035	8.9
95.08068	9.7
95.08616	88.7
97.10143	11.0
98.60698	7.7
105.07036	36.1
107.08606	46.0
109.06554	8.6
109.10173	50.4
117.07032	8.9
119.08586	30.4
121.06522	21.5
121.10169	24.2
123.04444	18.9
123.11703	9.6
126.12792	56.1
130.08516	7.0
131.08614	12.7
133.06108	25.3
133.08623	11.5
133.10153	23.0
135.11691	29.4
137.06013	31.0
137.09624	10.2
137.13354	7.6
145.06425	7.7
145.10106	13.2
147.04391	14.0
147.11743	15.6
149.13245	22.2
151.03894	52.2
151.14871	7.6
152.04243	15.9
154.05003	75.9
161.13303	15.2
163.03932	11.4
163.14847	13.3
175.14871	13.8
191.99088	7.9
211.16904	12.2
217.08600	8.7
219.10185	26.9
220.10539	25.7
221.10793	9.6
257.04407	19.9
265.83780	7.1
280.08203	21.4
280.31403	8.3
284.12848	11.1
289.25110	12.6
296.12872	15.7
307.26367	19.5
340.17780	9.5
425.69620	7.8
425.89349	8.3
431.18933	10.2
436.17679	11.6
473.04022	9.3
505.14841	21.7
505.23285	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	505.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.3
53.03939	10.5
55.01880	4.1
55.05512	29.6
56.25615	2.7
57.03427	10.8
57.07077	2.5
57.61877	2.6
59.66512	2.3
65.03932	3.7
65.81679	2.2
67.05508	95.9
68.43266	2.3
69.07077	15.2
71.05003	3.2
72.51801	2.3
79.05495	100.0
81.03419	9.0
81.06595	3.8
81.07063	70.7
83.04990	23.1
83.08637	12.2
84.29006	2.1
91.04908	3.3
91.05487	82.1
93.07046	95.6
95.04980	25.1
95.08618	39.2
97.06535	5.7
97.10144	4.0
98.21555	4.7
99.08131	2.2
100.78625	2.2
105.04507	2.4
105.07034	65.8
107.04959	9.4
107.08595	20.8
109.06502	9.7
109.10165	20.1
111.08071	4.3
111.17240	2.3
115.05475	2.7
117.07023	12.0
119.08588	34.1
121.06491	5.3
121.10130	10.4
123.08054	10.7
128.06239	3.4
129.07013	25.9
130.07808	2.1
131.08559	6.0
133.10159	14.6
135.08044	3.1
135.11736	6.9
137.09634	3.3
141.41508	2.4
142.07707	2.1
143.08572	16.5
145.10124	18.8
147.08051	2.7
147.11696	63.5
159.11615	3.1
161.09616	8.3
161.13263	23.5
163.11227	5.6
171.11693	44.4
173.11752	4.1
173.13278	3.1
179.14235	3.8
189.12810	20.8
207.13814	60.0
225.14896	4.4
229.14403	8.9
229.28735	2.6
241.19463	3.1
259.20663	7.9
262.46695	2.7
263.16119	2.9
281.17490	83.3
333.24448	3.4
487.30560	69.1
505.34702	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	505.2647
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
51.62398	4.5
53.55269	5.1
67.05518	9.9
69.03435	8.3
69.30028	42.7
70.06596	7.1
76.79990	5.4
79.05504	10.9
81.07076	13.7
81.83172	4.9
91.05474	11.3
93.07019	6.6
95.04985	6.2
95.08625	9.2
105.07036	13.5
107.08616	24.9
109.10187	24.6
115.05453	5.6
119.08613	13.2
121.10142	10.4
122.07299	7.3
123.04411	9.1
133.10144	100.0
135.08040	11.7
135.11737	15.4
137.05937	6.1
137.09630	72.8
142.70071	4.6
149.13301	10.3
151.03941	20.2
152.04268	7.4
153.01857	61.8
163.30162	5.1
171.02921	6.0
175.14885	9.2
183.56308	5.6
187.06326	4.7
191.14359	35.2
193.15898	10.8
211.16974	19.9
213.29863	5.2
219.10127	12.5
219.75198	4.5
220.10515	20.1
246.74673	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	505.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.0
53.03941	10.0
55.01861	2.3
55.05516	24.9
57.03441	11.0
57.07064	5.9
65.03958	1.9
67.05510	100.0
69.07072	16.8
69.15324	20.2
71.05006	3.5
71.08633	5.2
73.06577	1.7
73.13217	1.7
79.05499	77.2
81.03416	15.5
81.07060	56.7
83.04992	13.1
83.08602	11.7
85.06546	5.0
91.05486	77.1
93.07050	74.4
93.07642	3.7
94.07380	2.3
95.04984	21.7
95.08607	33.9
97.06535	5.7
97.10155	6.5
99.08111	3.2
105.04538	2.7
105.07036	55.9
107.04967	6.1
107.08607	20.8
109.06522	8.3
109.10165	39.5
109.62685	2.3
111.08067	4.2
115.05478	2.6
117.06998	11.2
119.07268	2.2
119.08590	34.1
119.09389	3.6
121.10159	9.5
123.08059	5.9
123.11698	2.9
125.09641	2.2
128.06232	3.7
129.07018	19.5
131.08572	11.1
133.06494	2.8
133.10130	16.8
135.07979	2.3
135.11729	6.2
137.09630	2.8
143.08578	13.2
145.10124	17.2
147.08078	3.4
147.11694	51.5
147.12819	4.0
149.09682	2.7
149.13336	5.7
155.10677	2.5
157.10170	3.9
159.11725	7.8
161.09584	4.0
161.13274	20.5
163.11166	2.3
171.11711	26.0
173.11797	9.7
173.13199	3.0
175.14883	4.4
179.14262	3.5
189.12738	14.7
193.12263	6.6
195.00279	3.7
198.81767	2.0
207.13818	25.7
213.16536	2.6
227.12831	2.4
229.14331	18.9
231.21082	2.2
241.19556	12.2
241.21715	2.2
259.20517	23.2
277.21576	4.1
281.17502	44.6
315.23254	2.9
333.24124	11.7
336.33398	1.9
352.90674	2.1
478.17065	2.1
487.30231	38.7
505.34665	8.3
505.39767	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.1
55.05517	20.3
56.05029	5.0
57.03442	18.7
57.07081	7.0
58.99578	16.8
61.02906	4.8
64.50278	4.2
66.11241	3.6
67.05508	54.5
68.99812	3.9
69.03429	21.9
69.06712	3.2
69.07070	20.6
70.02972	4.8
70.06578	7.3
70.70698	3.5
71.04993	6.6
71.50724	3.8
71.51104	5.1
72.08157	6.6
73.02886	6.5
74.00658	3.8
74.76942	4.2
76.02230	23.3
76.04018	4.1
79.05508	28.9
81.03414	13.2
81.07067	92.3
83.04987	4.7
83.06102	4.4
83.08635	8.8
84.04520	27.9
84.08143	7.9
85.01101	6.1
85.02924	29.7
86.09708	5.2
86.99045	8.8
87.00816	13.7
87.02695	10.8
88.11274	4.3
91.05460	22.3
93.07059	41.0
95.04965	10.5
95.08617	100.0
97.02898	15.8
97.06533	12.3
98.09695	10.6
99.05515	3.5
99.08091	17.2
100.11240	4.4
102.05565	4.5
105.01868	15.6
105.07050	41.5
107.04980	7.4
107.08598	26.6
109.02874	7.9
109.06527	6.8
109.10154	54.5
111.04417	6.1
111.08049	5.3
113.04199	9.0
115.03935	5.6
116.01687	33.4
117.07070	7.1
119.08595	37.3
120.08084	4.5
121.06496	6.0
121.10157	22.6
123.04447	12.4
123.08083	7.9
123.11725	20.3
125.09628	4.6
127.03931	22.9
129.06599	7.0
130.05008	11.3
130.06862	14.9
130.08652	9.3
131.08537	19.4
133.10130	26.8
135.11697	20.4
137.09622	10.3
139.03897	4.4
139.05829	4.2
142.03265	4.2
143.08551	6.2
144.01146	13.8
145.05022	7.5
145.06087	23.2
145.10100	15.5
147.11684	38.5
149.04405	3.6
149.13292	7.8
151.14847	30.0
153.12819	5.5
156.08371	8.9
156.10205	7.7
157.10103	4.8
159.11737	8.6
161.09628	3.9
161.13205	19.6
162.02203	48.4
167.07053	4.6
169.10069	5.9
171.11682	4.7
171.40231	4.1
173.13232	7.8
175.14793	4.5
177.05420	3.8
179.04883	30.9
179.14345	45.6
183.11780	4.6
185.13293	5.5
187.14813	9.5
189.12737	4.3
189.16426	7.5
197.15376	35.7
199.11205	4.8
201.16406	4.4
203.17976	43.7
205.15894	11.8
205.19458	5.4
213.16423	6.0
215.04984	4.9
215.17987	10.2
216.06943	9.2
219.10265	7.2
221.18977	16.7
227.17645	4.0
233.05910	5.7
233.09605	9.2
255.14153	23.7
259.11121	71.1
272.16818	6.4
287.20255	6.0
311.20114	10.5
329.20996	14.3
331.13220	12.3
339.17523	11.3
357.18536	10.2
358.16791	6.9
375.19305	11.1
406.16559	5.5
411.19296	3.9
429.20502	15.3
433.22165	16.1
451.23291	12.1
469.23810	5.3
504.24811	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73917	2.9
68.59130	3.2
70.39643	6.7
70.84466	3.2
71.25654	3.0
81.07042	7.5
89.84169	3.3
95.08644	5.3
103.22665	3.2
113.03461	4.9
123.04415	23.0
133.10121	8.4
147.04413	8.3
151.03911	100.0
152.04176	4.7
165.05496	9.8
174.88669	3.3
177.05455	4.5
185.51085	3.6
219.10170	85.6
220.10458	7.2
371.14944	9.5
444.75580	4.3
448.55362	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	504.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05530	4.4
70.90228	7.2
70.90574	5.2
79.94389	3.9
81.07084	5.0
90.86435	4.6
119.01772	4.7
123.04442	19.6
127.73525	4.7
142.32343	4.9
147.04405	13.4
148.04773	5.1
151.03918	100.0
152.04269	18.0
155.92561	4.4
177.05537	8.3
191.10445	4.4
219.10182	99.9
220.10460	29.1
303.08527	5.8
401.00171	5.4
415.82382	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	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.01869	1.7
55.05515	18.8
57.03427	1.6
57.07080	4.0
59.05005	1.2
65.03946	3.1
67.05508	68.9
69.03445	1.2
69.07069	13.4
70.85035	0.5
71.04996	7.4
71.08634	1.7
73.06569	0.6
75.97159	0.5
79.05496	36.0
81.03427	7.4
81.07059	100.0
83.04990	2.8
83.08623	11.8
85.06548	9.2
85.50367	0.5
87.61237	0.5
91.05482	25.4
93.07047	31.0
95.04973	6.3
95.08610	23.5
97.06533	1.9
97.10171	6.0
99.08112	1.0
103.05467	0.9
105.04539	1.5
105.07035	17.0
107.04989	1.2
107.08599	15.8
109.06508	1.2
109.10165	13.2
111.08102	2.2
111.11758	1.7
115.05463	0.8
117.07054	5.1
119.08586	11.9
119.09343	0.7
121.06512	0.8
121.10152	14.6
123.08108	1.1
123.11714	10.3
125.09673	1.1
129.07034	2.1
131.08577	9.4
133.10129	15.8
133.11087	0.8
135.08160	0.8
135.11693	6.7
137.09625	1.0
139.11200	1.0
143.08569	1.0
145.10114	6.5
147.11702	6.5
149.09624	0.8
149.13284	3.3
151.11215	5.4
151.41719	0.6
155.08612	0.9
157.10173	2.6
159.11685	4.6
161.09567	0.7
161.13242	2.8
163.11237	0.6
163.14909	1.0
169.12300	2.3
171.11742	0.9
173.11876	0.9
173.13245	3.2
175.14835	1.1
179.14348	1.0
185.13249	1.3
187.13306	7.8
187.14789	1.1
193.12299	2.5
197.13179	0.7
199.14830	0.7
201.16446	1.4
243.21167	1.1
246.95590	0.6
261.22192	3.3
275.20157	2.6
317.24588	0.8
335.34192	0.6
345.42734	0.6
373.84500	0.7
393.31619	0.9
411.32776	1.7
485.36511	2.1
503.37445	66.2
504.37729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90217	1.1
59.19777	1.1
67.05490	2.1
68.99790	1.7
73.69594	1.2
81.03420	1.3
81.07067	5.7
83.67928	1.2
84.06979	1.1
91.05485	1.3
93.07043	1.3
95.08596	1.5
97.06493	1.6
98.20759	2.0
99.13931	1.2
105.03390	1.8
109.02892	2.5
119.04951	1.7
121.06532	1.3
123.04434	19.1
135.04414	2.7
139.03894	1.6
147.04427	9.8
147.62881	1.2
149.05916	2.7
149.09544	1.2
151.03915	87.9
152.04308	1.7
161.05980	1.4
163.03931	1.9
165.05495	7.0
177.05455	5.8
219.10176	100.0
246.39835	1.2
249.11301	1.8
303.08575	4.7
362.00781	1.2
371.14914	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03949	5.0
55.01876	8.0
55.05511	19.8
57.03447	4.6
57.03710	0.8
57.07082	1.1
59.05005	4.4
65.03947	6.1
67.05507	100.0
69.03431	1.9
69.07072	17.8
69.98219	4.7
71.04999	3.9
75.92927	1.0
79.05498	35.4
80.24206	1.0
81.03418	4.4
81.07059	44.0
81.19907	1.0
83.04984	5.7
83.08627	10.6
85.06562	2.3
91.05481	37.5
93.07045	30.3
95.01316	1.0
95.04952	7.4
95.08607	26.2
97.06555	8.2
97.10194	5.4
98.21479	1.4
103.05550	1.5
105.04529	1.4
105.07037	34.1
107.04979	8.1
107.08592	24.0
107.09293	1.4
109.06514	6.8
109.10163	54.4
111.08123	4.7
111.08838	1.0
112.05405	1.1
114.13508	1.1
115.05457	1.2
117.07017	12.9
117.92710	1.2
119.08591	23.7
120.89824	1.1
121.05747	1.0
121.06548	3.7
121.10136	7.9
123.04454	1.0
123.08110	2.6
123.11761	1.3
125.09689	3.4
129.06981	5.9
131.08582	20.1
133.06555	1.5
133.10136	19.5
133.11090	1.5
135.08102	3.7
135.11708	5.5
137.09674	4.1
141.07053	1.9
142.07808	1.7
143.08577	6.3
145.06555	1.7
145.10130	24.3
147.08093	1.2
147.11703	12.5
149.09618	8.5
149.13333	3.6
150.36374	1.2
151.11205	1.8
155.08626	2.4
155.10706	3.8
157.10205	4.2
159.11678	11.0
161.09641	2.5
161.13290	4.7
163.11182	5.1
165.12825	1.2
169.10191	3.7
171.11703	6.9
173.11806	12.0
173.13348	4.6
175.11147	1.3
177.12837	3.2
179.14232	4.6
181.10205	1.4
183.11771	4.4
185.13368	2.9
187.11295	2.1
187.14856	1.8
189.11194	2.7
192.36713	1.1
197.13316	2.8
199.14964	1.7
201.12848	1.2
215.18097	1.5
223.13306	1.4
225.16537	1.5
227.12796	2.0
229.14346	7.8
229.19585	2.4
233.15686	1.0
233.19121	1.1
239.17944	4.8
247.20616	1.5
257.19028	18.2
257.21524	1.3
259.20721	4.1
261.35471	1.1
266.74524	1.0
275.20099	41.7
279.15897	8.5
293.21234	3.6
331.22873	2.9
349.23923	1.4
393.28363	1.5
411.29266	2.5
429.30136	1.6
467.31467	1.3
485.32843	7.8
503.33939	58.3
504.34506	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	502.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.5
57.03442	14.0
57.07081	37.6
59.05004	3.8
62.08320	1.9
67.05511	91.3
69.07072	11.3
71.04980	1.8
71.08636	22.9
71.11820	3.7
79.05507	4.3
81.07060	22.9
83.08623	14.7
85.06544	3.8
85.10183	13.9
91.05453	4.6
93.07057	4.6
95.08617	17.7
97.10185	3.4
99.97305	2.0
103.07634	1.9
107.08615	2.1
109.10165	82.3
111.08086	3.0
119.08589	4.2
128.96951	2.1
137.13274	3.1
155.10600	8.8
167.06976	2.4
173.11742	22.9
229.14371	100.0
239.23860	2.2
299.06119	2.1
313.27374	92.0
433.36337	2.5
467.37375	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01875	3.0
57.03444	3.3
59.04990	0.5
61.02929	2.9
65.95373	0.3
69.03436	17.9
71.01347	0.7
71.04658	0.4
71.04996	5.5
71.50936	0.4
73.02901	1.3
79.37774	0.4
81.03423	20.4
83.01321	0.6
85.02911	17.7
87.04471	1.7
88.34831	0.3
91.03951	0.9
97.02895	6.5
99.04469	7.4
106.06479	0.4
109.02873	1.9
117.05498	1.5
127.03904	3.7
133.07622	2.9
134.06010	0.8
135.09235	0.5
139.03893	0.8
145.04968	3.0
148.06226	0.4
160.07605	0.6
161.07117	7.2
162.05518	0.3
163.08696	5.3
174.26128	0.3
178.07399	0.9
179.08154	1.6
182.13661	0.4
189.06595	5.4
191.08159	5.9
200.47067	0.3
201.06635	0.4
206.06792	0.8
207.07663	100.0
208.08054	1.5
219.07747	1.0
219.61284	0.4
221.09288	0.4
229.09692	0.4
231.07707	0.9
231.11249	0.7
245.09149	0.4
247.10631	0.5
249.08737	1.9
259.10742	0.6
260.91742	0.3
261.08908	0.3
287.10233	0.6
299.06406	0.6
305.11328	2.3
323.12390	37.5
324.12625	0.5
341.13461	86.7
342.13739	1.3
478.05142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67598	1.9
53.03938	6.7
55.01862	6.8
55.05515	68.9
57.03442	35.8
57.07079	53.6
65.03922	3.8
67.05511	86.7
67.94504	2.1
69.07075	87.8
69.32050	17.4
71.04985	5.7
71.08633	37.2
75.04478	13.3
79.05072	2.5
79.05505	35.6
81.07061	100.0
83.04985	4.1
83.08627	70.0
85.06535	4.6
85.09818	1.8
85.10190	21.1
91.05472	15.4
93.07048	44.1
93.07627	2.9
95.04989	3.6
95.08614	93.6
97.06547	19.1
97.10172	45.9
99.08114	3.4
101.05973	2.9
105.04515	2.7
105.07047	12.1
106.26789	1.9
107.08601	33.4
109.10167	47.7
109.68139	2.0
111.08071	11.3
111.11722	14.0
112.50021	2.0
113.13282	3.0
115.05367	2.1
115.07576	3.8
117.06995	7.1
119.08595	12.7
121.10149	39.0
123.08090	2.1
123.10962	2.1
123.11730	16.0
125.09614	10.6
125.13229	3.4
129.06990	5.3
129.09113	3.2
131.07060	5.8
131.08565	15.1
133.10104	9.9
135.11705	30.8
137.13231	8.4
139.11217	13.3
139.31538	2.4
141.06970	3.2
143.08589	10.4
143.10664	5.9
145.10130	15.2
147.11679	4.6
149.13269	17.1
153.12758	10.0
155.08545	3.7
157.10110	8.0
157.12186	3.8
159.11659	8.4
163.14790	9.0
167.14334	8.2
169.10191	2.8
171.11714	8.2
171.13882	3.1
173.13286	7.7
177.16403	5.3
181.15894	4.5
183.11728	3.8
185.13326	5.1
187.14757	2.8
191.18068	3.7
195.11676	3.6
195.17473	3.7
197.13330	4.0
199.14885	4.0
199.16797	4.1
205.19547	3.0
209.13228	3.0
209.19064	5.1
219.21164	2.5
223.20647	3.2
227.20050	2.6
235.20667	3.0
237.22110	4.7
251.23790	3.7
289.28732	6.3
299.27408	3.8
307.29968	18.1
317.28513	14.7
335.23730	2.9
335.25247	3.2
335.29407	41.0
353.30731	4.1
371.31607	94.9
391.29968	7.7
409.33295	48.2
427.34286	70.5
483.36957	22.4
501.37088	72.6
502.37491	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3582
Annotation	Poricoic acid GM
Peak:m/z	Relative Intensity
53.03952	2.4
55.01866	1.3
55.05516	22.2
57.03438	4.5
57.07064	1.8
65.03934	2.4
67.05511	32.8
69.07074	12.4
71.05000	2.2
71.51934	1.7
79.05502	20.5
81.03413	1.6
81.07063	30.5
83.04984	1.7
83.08633	7.4
85.06547	2.0
91.05483	14.8
93.07043	14.1
95.04990	2.1
95.08618	15.9
97.06542	2.3
97.10175	4.3
105.07041	23.3
107.08603	12.7
109.06538	2.1
109.10169	8.6
110.28393	1.3
111.08114	1.3
116.26081	1.2
117.07033	14.7
119.08593	17.3
121.06535	1.2
121.10161	5.3
123.08068	3.4
123.11707	1.9
125.09645	3.8
127.61158	1.2
128.06262	3.1
129.07013	13.4
130.07886	1.5
131.08574	28.2
133.10143	10.6
135.11729	2.7
141.07047	4.3
142.07851	4.2
143.08574	24.8
144.09369	2.0
145.10135	33.7
145.11287	1.7
147.11710	5.3
155.08568	10.9
156.09370	1.4
157.10153	23.5
159.08105	1.3
159.11697	27.7
161.13297	2.6
167.08559	3.2
168.09306	1.8
169.10136	13.2
171.11716	22.5
173.13261	15.3
175.11002	1.7
181.10117	5.9
182.10934	1.7
183.11665	10.9
185.13271	19.4
187.14926	6.9
195.11771	8.5
197.13326	8.1
199.14883	10.9
201.16417	3.1
207.11699	1.5
209.13321	7.7
211.14757	5.7
213.12959	1.5
213.16469	5.5
216.23322	1.0
223.14810	6.1
225.16441	4.5
227.18106	1.8
228.23228	1.9
235.14987	1.4
237.16461	3.3
239.18069	2.7
251.18030	1.8
256.26300	2.1
257.19150	1.5
259.96002	1.2
265.19583	1.4
267.21124	2.1
269.19473	1.7
271.20609	1.9
279.21149	2.1
283.20538	3.9
285.22260	3.2
287.20065	1.4
297.22134	5.9
297.86929	1.1
299.20313	1.5
299.23764	2.5
307.20554	1.2
311.20282	1.5
311.23825	3.8
315.23096	2.4
321.22299	1.3
327.23447	2.2
329.24863	1.4
335.23880	2.5
339.23154	1.6
341.24704	2.3
353.24683	1.6
381.31683	4.2
391.30014	17.5
409.31052	67.9
410.31250	1.8
427.32175	16.2
447.32578	3.5
465.33563	7.1
483.34854	20.1
495.25409	1.2
501.35846	100.0
502.36188	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	501.3592
Annotation	Poricoic acid GM
Peak:m/z	Relative Intensity
53.03933	2.3
55.01863	1.9
55.05514	16.7
57.03432	6.1
59.20912	0.8
67.05505	24.2
69.07066	11.4
71.04993	2.1
71.51488	1.6
73.67777	0.8
76.14404	1.1
79.05494	16.1
79.56094	1.0
81.07064	22.0
83.04967	2.4
83.08628	6.9
85.06539	1.5
91.05488	17.7
93.07043	15.0
95.04974	2.0
95.08615	16.0
97.06561	2.6
97.10174	4.3
105.07037	22.3
105.96394	1.0
107.08602	11.1
109.10164	8.4
115.05463	1.1
117.07018	12.1
119.08589	19.6
121.10123	5.1
123.08062	1.9
123.11680	1.4
125.09644	2.5
128.06207	2.7
129.07001	10.3
129.70671	1.0
131.08569	26.6
133.10129	11.7
135.11697	3.0
141.07030	2.6
141.37309	1.0
142.07759	1.7
143.08578	15.6
145.10132	25.0
147.11691	7.4
149.09595	1.1
155.08556	7.5
157.10136	14.0
159.11699	21.1
161.13261	3.4
167.08565	2.0
169.10114	7.7
171.11690	14.9
173.13263	12.0
181.10129	4.8
182.10878	1.2
183.11711	9.3
185.13289	10.5
187.14862	5.8
195.11635	4.6
197.13289	6.7
199.14854	6.7
209.13191	5.2
211.14813	4.0
213.16418	2.2
223.14842	3.4
225.16400	2.6
237.16452	2.7
239.17992	1.5
249.16243	1.3
251.18013	1.1
253.19586	1.1
265.19623	1.8
267.21060	2.2
271.20557	1.4
283.20511	2.3
285.22275	1.5
293.96359	1.2
297.22125	3.5
299.20026	1.1
299.23611	1.9
301.21655	1.6
311.20062	1.1
311.23672	3.0
313.21384	1.7
315.23242	1.9
321.22485	1.1
335.23776	1.4
353.24524	1.6
381.31656	2.1
391.30048	9.5
409.31049	30.6
427.32162	7.3
447.32434	1.7
465.33670	4.0
483.34677	10.1
498.92334	1.3
501.35767	100.0
502.36890	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	498.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.07083	34.5
58.95115	0.9
64.23102	0.9
67.05504	1.0
67.06746	0.9
69.07074	2.5
71.08641	26.5
71.51321	1.2
73.06554	4.7
76.13013	1.0
81.07056	1.2
81.46249	0.9
83.08625	2.5
85.09726	1.7
85.10191	20.3
87.04482	4.8
89.06041	100.0
95.08607	1.5
97.10185	3.5
99.11735	4.3
107.07053	1.3
113.13307	1.5
117.09171	3.9
130.08687	1.6
131.08586	1.7
133.08623	49.4
155.17963	4.5
177.11227	18.0
199.20607	3.9
221.13892	2.9
239.14934	2.3
243.23228	8.2
283.17447	1.6
287.25845	4.5
327.20163	9.4
437.34546	1.2
462.93881	1.0
481.37531	10.9
498.36914	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	498.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.8
57.03440	7.2
61.02929	3.0
67.05509	37.3
69.03426	2.5
69.07078	6.9
70.06604	3.4
70.16363	5.8
71.04999	8.1
79.05498	12.8
81.03403	1.8
81.07059	65.1
83.04992	3.4
83.08627	7.4
85.02908	5.2
85.06552	8.7
91.05485	17.2
93.06483	2.4
93.07047	26.4
95.04955	2.8
95.08628	9.9
95.30401	1.4
97.02895	1.7
97.06540	9.1
97.10173	2.7
99.04437	2.5
99.08100	2.0
105.07038	8.6
107.08589	9.9
109.06523	3.0
109.10168	6.5
109.38786	1.2
111.08075	3.8
117.07008	6.0
121.06548	3.2
121.10128	5.5
123.04429	4.1
123.11686	8.2
131.08566	6.3
133.10136	14.6
135.10550	1.3
135.11664	4.9
139.03889	2.3
149.13252	12.6
151.11185	4.9
159.11697	27.5
161.13322	3.8
177.12764	35.4
179.14377	6.5
187.13321	5.6
195.13840	6.6
213.14886	1.5
219.10149	2.1
233.08022	2.9
243.15930	36.0
251.16449	12.9
257.17526	2.2
269.17484	100.0
270.17816	3.0
301.20126	17.3
313.11765	4.7
341.11407	1.6
362.66187	1.4
373.13965	9.7
374.55136	1.4
445.24469	7.3
458.69702	1.5
515.47711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86249	2.2
52.44404	2.0
55.05516	15.1
57.03439	6.8
64.01270	2.3
65.12933	2.8
66.87235	2.5
67.05506	48.1
69.07076	17.0
71.04988	4.0
71.51479	3.2
79.05502	33.1
81.07064	60.1
83.04986	6.2
83.08631	11.5
91.05489	22.6
93.07046	37.7
95.04959	2.7
95.08604	17.2
95.67241	2.3
97.06535	7.0
105.07043	16.7
107.04934	2.4
107.08602	20.7
109.10147	3.9
111.08079	5.9
117.07020	10.0
119.08578	7.9
121.06559	2.6
121.10160	10.4
123.08130	2.9
129.06976	4.2
130.08673	3.6
131.08578	12.9
133.10150	11.3
135.08081	4.0
135.11681	8.4
143.08524	4.2
145.10136	3.5
147.11722	4.7
149.13272	20.2
157.10107	4.3
159.11711	9.8
169.10197	2.7
177.12703	4.1
195.13846	13.4
209.75250	2.5
269.17490	71.7
331.99429	2.5
343.26111	3.0
353.24634	3.2
372.11554	2.6
389.26721	4.1
445.29398	14.5
463.30539	100.0
510.73889	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	498.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01874	5.8
64.66658	1.1
65.03965	2.2
67.05503	2.6
68.99791	1.2
71.13913	1.1
71.50831	2.2
73.02561	1.9
73.02924	20.4
75.04487	2.5
78.04737	1.4
79.05498	7.6
83.04987	2.4
85.02907	3.0
91.05491	9.3
93.03381	2.2
93.07035	3.0
95.04987	14.9
97.06525	2.3
97.78561	1.3
103.05473	5.3
105.04551	1.7
106.04191	7.4
107.04968	22.7
108.05702	1.1
109.06517	2.2
111.04456	16.3
111.08106	1.7
119.04938	3.4
121.05694	1.2
121.06526	18.5
123.04443	25.4
123.08096	2.0
125.02370	6.0
125.05990	4.6
129.71017	1.3
131.04918	3.9
132.05666	1.5
134.03661	2.9
135.04446	10.6
136.05200	2.1
137.05968	5.3
138.06667	1.7
139.03902	8.0
139.07559	3.6
140.04695	76.7
141.05484	24.2
148.05188	3.1
149.05992	21.3
151.03877	2.6
151.07539	15.5
153.05489	2.3
153.09128	5.9
155.07045	100.0
159.04401	1.9
163.03915	4.5
165.05437	1.8
165.09096	2.6
167.07043	25.9
173.08112	3.4
177.05502	15.7
179.07010	5.9
180.07860	1.6
180.51996	1.1
181.08571	11.8
183.06544	1.6
191.07018	6.1
192.07785	3.0
195.06552	29.7
209.08101	43.4
210.08841	1.7
211.09698	2.4
213.07629	3.5
227.09163	53.7
359.14935	2.8
387.14453	2.5
419.16916	4.3
473.71957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53131	0.3
56.10117	0.2
58.28900	0.2
59.97699	0.3
61.02646	0.4
61.02931	5.4
62.80669	0.2
65.03934	0.5
67.08913	0.3
70.06583	0.3
72.13262	0.3
73.02927	0.4
75.07244	0.3
78.04733	1.7
79.05502	1.7
81.07064	0.3
89.03928	0.3
91.05492	1.4
93.03386	0.8
93.07063	0.7
95.04985	1.0
102.27058	0.3
103.05471	0.8
105.07027	0.3
106.04174	2.2
107.04938	2.1
111.04468	0.5
117.03345	0.3
117.21693	0.3
121.06515	2.3
123.04434	4.5
124.05232	1.9
131.04916	1.0
134.03651	0.9
135.04402	0.9
137.06012	0.5
139.03954	0.5
139.07573	1.9
140.04720	1.7
141.05441	0.5
148.05161	0.5
149.05978	4.0
151.03900	0.7
151.07547	0.9
152.04674	1.6
153.09122	0.9
155.07051	2.0
159.04440	0.3
163.03967	1.7
163.07541	0.4
165.05527	0.4
166.06400	0.3
167.07053	100.0
168.07394	0.7
176.04649	0.3
177.05504	3.0
180.07910	0.5
181.08640	2.0
182.09474	0.4
191.07040	0.7
195.06473	1.5
209.08118	8.9
210.08531	0.4
227.09160	28.5
228.09621	0.7
308.26392	0.3
372.74179	0.3
387.14450	0.7
419.17056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53131	0.3
56.10117	0.2
58.28900	0.2
59.97699	0.3
61.02646	0.4
61.02931	5.4
62.80669	0.2
65.03934	0.5
67.08913	0.3
70.06583	0.3
72.13262	0.3
73.02927	0.4
75.07244	0.3
78.04733	1.7
79.05502	1.7
81.07064	0.3
89.03928	0.3
91.05492	1.4
93.03386	0.8
93.07063	0.7
95.04985	1.0
102.27058	0.3
103.05471	0.8
105.07027	0.3
106.04174	2.2
107.04938	2.1
111.04468	0.5
117.03345	0.3
117.21693	0.3
121.06515	2.3
123.04434	4.5
124.05232	1.9
131.04916	1.0
134.03651	0.9
135.04402	0.9
137.06012	0.5
139.03954	0.5
139.07573	1.9
140.04720	1.7
141.05441	0.5
148.05161	0.5
149.05978	4.0
151.03900	0.7
151.07547	0.9
152.04674	1.6
153.09122	0.9
155.07051	2.0
159.04440	0.3
163.03967	1.7
163.07541	0.4
165.05527	0.4
166.06400	0.3
167.07053	100.0
168.07394	0.7
176.04649	0.3
177.05504	3.0
180.07910	0.5
181.08640	2.0
182.09474	0.4
191.07040	0.7
195.06473	1.5
209.08118	8.9
210.08531	0.4
227.09160	28.5
228.09621	0.7
308.26392	0.3
372.74179	0.3
387.14450	0.7
419.17056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.7
55.01873	6.0
55.05515	32.1
57.03440	38.1
57.07057	5.1
60.70486	2.5
61.02930	79.2
65.03938	5.2
67.05509	98.8
69.03432	46.5
69.07069	23.1
70.12794	6.1
71.01356	4.7
71.04980	7.5
73.02925	40.6
79.05499	60.3
81.03433	22.0
81.06593	5.0
81.07062	100.0
83.04959	7.5
83.08617	9.3
85.02909	80.5
85.06544	3.2
87.04463	4.0
91.03961	54.2
91.05479	39.4
93.07042	65.8
95.04965	6.2
95.08611	79.4
97.02896	64.6
97.06564	3.9
97.10201	5.0
99.04459	12.7
101.02407	13.7
103.03941	11.0
105.07021	36.8
107.08598	34.0
109.02889	13.5
109.06505	4.6
109.10161	29.7
111.08058	3.9
115.03916	8.5
117.05507	4.8
117.07033	11.7
118.97787	2.9
119.08585	28.2
121.10152	31.5
123.08083	3.5
123.11704	9.9
125.03210	2.7
127.03931	27.4
129.05455	7.3
129.07005	6.7
131.08545	18.6
133.10120	17.0
135.08025	3.4
135.11707	20.7
137.09590	3.3
137.13245	3.7
141.05502	2.8
143.08563	5.3
145.03891	3.1
145.04977	11.3
145.10100	13.2
147.11649	14.0
149.13222	13.1
157.10149	4.2
159.11696	12.7
161.13258	11.2
163.14845	5.9
167.08536	3.7
169.10106	3.1
170.07739	2.7
171.11755	4.3
173.13277	13.8
175.14819	3.4
181.10114	2.9
183.06465	5.9
183.11732	3.5
185.13210	4.4
187.14824	5.5
201.07613	7.1
243.21167	4.3
255.31944	3.1
261.22104	18.7
283.21088	3.4
335.25845	91.4
350.49890	2.7
403.50790	2.9
463.30457	3.6
479.30014	4.0
497.31339	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	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.97314	0.2
55.05503	0.6
56.05037	1.4
57.03420	0.3
57.07083	2.8
58.06585	1.5
58.78390	0.3
60.08167	17.3
67.05502	0.6
69.07079	0.4
69.25883	2.3
71.04989	0.3
71.06984	0.4
71.07377	7.0
71.08636	1.8
79.05474	0.3
81.07050	1.4
83.08635	0.6
85.10174	0.8
86.09711	50.5
91.05484	0.4
94.43763	0.2
95.08614	1.1
97.10175	0.5
98.98464	4.3
104.10750	100.0
105.11056	0.4
109.10212	0.4
125.00014	27.9
163.01575	0.4
184.07350	99.6
185.07838	0.5
258.11081	1.0
285.74734	0.3
290.70834	0.3
302.62009	0.2
313.27325	1.8
419.25574	0.4
478.32983	7.6
479.33081	0.3
496.34033	25.0
497.34335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05043	0.5
57.03445	0.3
57.07071	0.6
58.06603	0.4
60.08170	6.4
60.58751	0.2
63.63167	0.2
67.05502	1.0
69.07066	0.5
71.04993	0.2
71.07382	2.8
71.08631	0.4
71.51849	0.2
79.05486	0.6
81.07055	1.1
83.08584	0.2
85.02916	0.3
85.10205	0.3
86.09712	30.0
91.05478	0.5
93.07053	0.5
95.08611	0.7
97.10162	0.2
98.98470	2.9
104.10755	2.5
105.07018	0.2
109.10162	0.3
120.99824	0.2
125.00014	20.8
127.38183	0.2
139.52139	0.2
184.07353	100.0
185.07634	0.5
258.11099	0.2
313.27292	0.4
423.73346	0.3
478.33179	1.2
496.34406	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	496.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01889	0.5
57.33064	0.6
62.06066	0.5
64.10406	0.6
65.03930	1.4
69.03424	0.7
69.07047	0.5
69.67386	3.6
70.06596	1.3
78.04716	0.6
79.05479	2.1
81.07050	1.2
85.02917	0.8
91.05489	7.7
93.03384	1.6
93.07041	2.4
95.04977	2.5
96.04498	0.7
97.02853	0.6
103.05470	1.9
105.03388	0.8
105.04491	0.7
105.07022	1.3
106.04173	2.8
107.04960	3.1
108.05708	0.9
109.06512	2.3
117.98891	0.6
119.04977	3.7
121.06533	5.3
123.04420	2.4
123.08112	0.9
124.03937	1.0
125.05975	1.7
131.04924	2.2
132.02074	1.3
132.05746	0.6
133.06482	1.3
135.04414	1.7
135.08101	0.6
136.05203	6.0
137.05995	17.7
147.04424	5.1
148.05228	0.8
149.05981	8.4
150.06694	0.9
151.07559	15.1
152.07091	1.1
152.08255	0.8
153.05528	0.8
153.09016	1.2
155.07047	0.7
161.05928	1.4
163.03897	2.5
163.07523	1.0
164.04649	1.4
165.05476	10.6
165.09131	0.8
167.07054	5.1
177.05481	7.9
178.56639	0.6
179.07050	63.2
180.06422	0.9
180.07809	1.0
181.08617	3.6
183.06557	1.7
191.07059	3.3
192.07805	1.2
193.04979	1.0
193.08609	2.4
195.06581	1.8
197.08115	5.6
209.08104	29.2
210.08800	1.7
211.09598	4.1
225.07594	100.0
226.07962	1.3
281.09662	0.5
310.50400	0.6
381.71692	0.6
385.13013	1.0
417.15619	1.5
496.22382	6.3
524.05103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.0
53.03938	5.4
54.53281	1.4
55.01865	6.2
55.05514	25.0
57.03442	16.0
59.05007	1.5
65.03941	4.0
65.04253	1.6
67.05508	47.4
69.03423	6.4
69.07076	10.3
71.04998	10.0
79.05502	46.8
81.03425	91.0
81.06587	3.0
81.07063	51.6
83.04983	21.2
83.08620	35.8
85.02914	46.5
85.03280	0.8
85.06548	4.3
91.05486	54.4
93.07052	31.1
95.04982	37.0
95.08614	18.2
97.02895	4.7
97.06525	6.5
97.10175	6.0
99.08070	2.3
105.04528	1.8
105.07041	38.8
107.04954	9.4
107.08613	15.3
109.06494	7.4
109.10163	5.9
111.04475	6.8
111.08081	20.4
113.06013	5.2
115.05454	3.1
116.74833	1.4
117.07021	4.2
119.04891	2.0
119.07800	2.6
119.08605	31.0
121.06557	4.0
121.10160	18.0
123.08078	5.9
123.11722	6.0
125.09628	4.3
127.07553	1.4
129.07013	15.7
131.08585	19.2
133.06516	4.1
133.10152	16.4
135.11700	3.4
137.09662	2.7
142.07816	3.6
143.08440	1.5
145.10150	3.1
147.08118	4.4
147.11702	23.0
149.09633	10.0
149.13326	1.8
151.11261	2.3
154.20087	1.7
157.10147	22.5
163.11215	5.0
165.12801	5.9
175.11191	23.7
177.12703	1.7
193.12257	82.9
194.12637	2.1
209.11734	2.4
211.13312	100.0
227.12811	3.2
229.39194	1.9
249.14990	1.5
267.15918	10.7
285.17087	3.9
314.05075	1.4
349.21609	1.5
352.87436	1.5
359.22159	2.1
367.22769	2.1
385.23831	4.1
391.96811	1.4
403.25009	1.9
459.27539	3.5
477.28497	7.6
495.29587	90.5
496.30328	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41613	4.9
53.03943	14.9
55.01861	12.8
55.05517	30.4
57.03442	39.2
57.07085	5.5
61.02933	57.8
65.03948	8.7
67.05511	84.8
69.03436	35.0
69.07071	22.5
71.01364	11.4
71.05001	9.1
73.02909	29.2
79.05499	85.2
81.03423	34.7
81.07067	94.5
83.04982	13.5
83.08607	18.1
84.56661	5.0
85.02911	67.1
85.06548	7.3
91.03971	32.9
91.05484	84.2
93.07050	93.5
95.04984	20.9
95.08617	57.1
97.02898	47.8
97.06553	11.1
97.10147	8.8
99.04420	7.7
101.02375	6.5
103.03950	5.5
105.07039	92.3
107.04979	12.4
107.08601	57.8
109.02898	11.7
109.06499	7.5
109.10174	22.6
111.04477	10.1
115.03958	6.2
115.55846	6.0
117.07030	38.9
119.04929	5.9
119.08587	60.9
121.06497	6.0
121.10158	43.5
123.11671	8.9
127.03943	14.2
128.06187	10.2
128.59747	5.7
129.05516	7.2
129.07042	29.0
131.08588	56.0
133.06564	10.8
133.10141	51.9
135.08075	9.4
135.11710	21.0
137.09694	5.8
141.07028	6.5
142.07794	10.4
143.08614	30.9
145.04993	6.1
145.06511	8.6
145.10132	48.1
147.08069	8.6
147.11696	33.0
149.09595	6.0
149.13277	19.8
153.06960	5.6
154.45903	5.9
155.08545	16.8
157.10144	24.7
159.08072	12.7
159.11734	31.6
161.13272	17.1
163.11237	13.8
163.14873	6.0
165.12857	6.3
169.10164	16.1
171.11687	26.6
173.09618	7.3
173.13358	18.8
175.11302	8.1
177.09148	5.9
179.08626	6.8
181.10165	6.7
183.11716	14.4
185.09703	5.5
185.13301	16.1
187.11215	7.3
187.14880	7.1
193.10165	9.2
193.12245	8.0
195.11778	7.6
197.09714	7.8
201.12833	7.4
201.37656	5.3
211.11267	8.0
229.36430	5.8
235.99693	5.2
241.19550	12.3
257.18863	5.5
259.20612	23.9
267.15887	6.4
271.20605	10.5
285.22128	5.5
301.21600	16.4
313.21689	7.5
315.23022	8.4
325.21671	6.7
333.24292	55.8
345.23935	5.3
349.21158	8.5
361.23770	6.7
363.25287	5.8
367.22812	15.2
375.25183	9.7
385.23801	14.2
403.24628	12.0
417.26654	7.2
429.26431	16.6
441.26346	42.6
459.27277	23.6
477.28442	35.1
495.29596	100.0
496.29123	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	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65684	1.6
53.03936	6.9
55.01661	1.6
55.01874	16.3
55.05276	2.8
55.05515	36.4
57.03435	11.6
57.07062	5.3
65.03931	3.5
67.05511	100.0
69.03420	4.6
69.07076	20.8
71.01336	2.6
71.04982	8.4
79.05499	52.6
79.13931	1.4
81.03436	16.4
81.07064	86.1
83.04981	16.7
83.08623	22.3
85.02911	8.9
85.06554	7.4
87.04470	1.6
91.05486	39.5
93.06487	3.1
93.07053	50.8
93.07637	3.1
95.04971	14.0
95.08607	31.3
97.02878	1.8
97.06541	15.0
97.10164	9.6
99.08108	3.5
105.07040	22.5
107.04940	8.6
107.08598	33.7
109.05784	1.5
109.06510	5.9
109.10166	32.1
111.04438	4.9
111.08092	10.1
113.06053	2.1
114.70020	1.5
115.05483	1.5
117.07026	11.2
119.08598	16.6
121.06514	5.5
121.10155	19.3
123.08092	3.5
123.11740	4.2
125.09620	9.9
129.07004	3.8
130.07706	1.8
131.08565	11.5
133.10121	10.8
135.08101	3.0
135.11697	12.3
137.09621	2.1
145.10127	8.3
147.08035	2.3
147.11665	11.2
149.09659	2.8
149.13251	14.8
151.11180	2.7
153.12749	4.2
155.08536	2.0
155.10655	2.9
157.10161	2.2
158.05756	2.0
159.11702	6.8
162.37880	1.9
163.11182	13.1
165.12737	2.6
169.66444	1.5
170.70605	1.7
171.06548	2.9
173.09656	3.1
173.11751	5.4
175.11203	3.5
177.12747	4.5
181.12263	5.4
189.11363	2.2
191.10657	3.1
193.12187	7.7
195.13844	8.4
197.13185	1.8
199.09695	1.7
201.14757	1.8
205.91991	1.5
209.11763	10.5
211.13327	4.7
227.12764	8.3
229.14427	4.2
229.24886	1.7
255.16058	2.6
267.16003	3.9
269.17545	4.7
283.15359	7.0
295.19058	5.1
297.16910	1.8
301.16406	1.9
310.51480	1.6
323.22134	3.8
339.21890	3.1
347.14044	1.8
416.74268	1.8
423.27444	8.9
477.28525	6.8
495.29514	54.6
495.36511	3.4
496.29755	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	495.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05465	2.1
56.96567	37.4
56.96831	2.0
57.03417	1.1
64.41219	0.5
65.03919	0.7
66.56689	0.5
67.05508	5.5
67.78768	0.6
69.07032	2.0
70.06514	0.6
70.65997	1.0
70.66327	0.9
71.04915	0.6
71.95267	5.0
72.96043	3.9
74.97630	0.7
76.70863	0.5
79.05494	5.6
81.03415	4.5
81.07063	7.3
83.04934	1.4
83.08575	2.4
84.95994	2.5
85.02856	2.4
85.06487	0.9
91.05486	5.6
93.07043	4.5
95.04968	3.9
95.08572	1.7
97.02844	0.6
97.06494	0.9
97.10126	1.5
97.96809	1.0
105.00062	0.7
105.07037	3.7
107.04913	1.6
107.08582	2.8
109.06472	2.2
109.10120	1.5
110.97534	1.8
111.08078	1.3
113.05954	0.6
115.00666	1.3
117.06989	1.1
119.01690	1.3
119.08533	2.2
121.06466	1.0
121.10089	2.0
123.01183	0.8
128.98563	0.7
129.06969	1.3
131.08536	1.7
133.10060	1.7
135.08038	0.6
135.11649	0.8
137.02740	2.7
139.00641	1.8
141.02226	2.8
147.11630	2.4
149.09613	1.2
151.00627	1.2
151.04286	0.9
153.02213	1.9
155.00200	0.7
155.03743	0.9
157.01718	1.0
157.10107	1.2
159.03258	2.2
159.11690	0.8
163.11198	0.8
165.02238	0.7
167.03810	1.4
169.01729	0.7
171.03314	3.1
173.04858	0.8
173.09499	0.7
175.02744	0.7
175.11174	1.8
181.01733	0.9
183.03288	0.9
185.01213	1.2
185.04808	2.0
189.04315	1.3
191.10582	0.6
193.08949	0.7
193.12245	4.5
197.04855	0.6
199.02748	2.0
199.06415	0.9
203.02328	1.2
203.05913	1.9
211.06477	1.7
211.13295	3.1
213.07787	0.6
217.03833	1.5
221.08525	1.2
223.10028	9.0
227.12688	0.6
229.07407	0.8
237.07944	1.3
239.09492	1.1
241.11115	100.0
241.73781	0.5
242.11485	1.7
243.54712	0.6
249.08057	2.1
259.12186	74.6
260.12640	1.3
264.12689	5.3
267.09012	17.9
267.15851	0.7
282.13788	2.0
285.10098	78.9
286.10431	0.7
303.11163	36.8
308.11752	5.0
326.12854	1.6
331.23843	0.7
339.22983	0.5
355.65784	0.5
403.24945	0.7
477.21704	1.9
477.28714	1.5
495.22754	53.2
495.29626	7.2
496.23035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	2.8
57.24119	2.0
69.03443	3.8
70.12251	2.2
71.49747	3.1
71.50117	2.9
74.06090	4.2
77.33798	2.1
85.02910	4.7
89.03939	12.2
91.05485	5.3
97.02920	3.1
98.97607	2.4
101.00898	5.5
107.57209	2.1
115.02444	3.2
117.03393	30.7
119.01922	7.5
119.04954	6.2
129.04047	3.2
130.30798	2.3
131.01915	6.0
131.05565	4.5
133.03488	3.8
143.01892	15.4
145.02832	74.6
147.04343	16.5
149.05997	7.3
155.01917	8.9
157.03435	3.2
161.02994	13.0
163.02708	2.3
169.03526	9.2
171.05103	5.2
173.02997	9.7
173.06624	6.0
175.04601	3.2
177.05479	100.0
185.02937	5.5
185.06557	5.5
186.05472	2.6
187.04515	6.5
190.33899	2.6
199.04529	4.2
201.05940	3.2
203.04010	5.0
203.07619	5.3
205.03694	2.6
212.07437	2.8
213.06075	2.9
217.03697	4.9
220.02191	7.5
221.03082	4.1
221.05023	4.4
227.03983	2.7
235.04538	23.4
238.03401	3.5
245.05096	7.1
261.04495	5.1
263.07095	4.7
273.08340	4.2
275.09802	4.7
288.15485	2.3
292.96188	2.5
293.10818	2.8
295.06775	6.0
301.04163	2.6
309.06119	11.1
313.07770	4.0
315.09467	3.0
319.05054	2.8
327.06998	7.2
333.03513	2.5
345.08078	6.6
351.09207	2.7
361.07788	3.7
363.09238	6.4
371.06073	6.2
379.08820	4.5
381.06302	2.7
389.07022	3.8
407.08417	5.3
417.06509	16.5
435.07648	11.4
449.13354	2.9
453.08716	10.1
477.14639	26.7
495.15976	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	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01860	3.4
55.05506	10.4
56.17007	1.6
57.03438	12.3
57.24938	1.5
57.55277	1.5
59.55574	1.3
61.02931	2.7
65.03941	1.5
67.05510	15.9
68.05825	2.8
69.03424	3.0
69.07066	17.2
69.70074	2.9
69.70485	5.9
70.06598	2.5
71.04996	69.1
73.02901	2.0
75.04489	3.3
79.05497	14.7
80.05822	4.7
81.03425	8.8
81.07056	18.7
82.03749	1.8
83.04987	16.0
83.08611	3.9
84.08157	2.4
85.02906	100.0
87.04502	2.1
91.05479	15.1
92.05804	3.5
93.07038	12.6
94.07387	3.0
95.04965	11.3
95.08603	6.8
96.05285	1.8
97.02882	6.0
97.06509	5.7
97.10180	4.2
99.04374	2.2
105.07055	7.9
107.04934	7.4
107.08606	6.8
108.05244	2.1
109.02859	1.9
109.06510	8.2
109.10154	5.3
111.04426	8.4
111.08083	2.6
114.10262	1.8
117.07018	4.8
118.04147	2.0
119.04886	1.8
119.08578	4.4
121.02834	2.6
121.06503	4.8
121.10123	5.2
122.10429	1.6
123.04430	18.9
123.08068	3.1
123.11682	9.4
124.03960	31.2
124.08379	1.6
125.09628	4.7
127.03925	3.2
129.05478	40.6
129.06982	3.1
131.08536	6.8
132.08868	1.6
133.06433	4.5
133.10158	4.0
135.04401	1.6
135.08067	3.7
137.05988	2.9
139.03918	3.2
139.11151	2.2
145.06508	1.7
145.10135	4.0
147.04428	4.0
147.06526	16.2
147.11693	2.0
149.09573	2.9
151.03883	3.7
151.11180	16.3
157.10080	3.2
159.08116	2.3
160.05096	3.2
163.03925	2.7
163.11130	3.7
165.09161	1.9
167.01593	4.5
168.13860	2.1
175.11163	2.6
181.12151	2.0
187.11371	1.7
189.05460	1.7
189.11082	1.8
193.03212	2.7
193.08516	13.1
193.12225	2.3
209.11707	3.2
219.13831	5.0
228.13257	1.7
247.13449	1.6
259.15427	4.2
267.15964	2.4
279.15799	1.5
285.07443	2.6
293.17453	2.7
297.17047	8.9
327.12396	2.8
366.21399	2.1
371.14639	3.1
384.22269	5.0
402.23477	4.7
446.71674	1.9
448.26825	1.6
476.27173	8.6
477.28818	2.2
494.28430	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	494.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46999	0.8
56.05030	2.2
64.07932	0.6
66.11922	0.6
71.28314	1.1
76.43034	0.6
84.08147	62.4
91.05499	1.4
94.39922	0.6
105.03392	1.4
117.03413	2.2
119.01993	1.0
119.04974	3.3
121.57598	0.6
130.08647	100.0
131.08969	1.1
145.02811	3.4
146.66086	0.6
147.04422	9.6
148.04712	0.7
171.05003	0.8
177.05464	7.5
177.06718	0.8
185.03047	1.0
199.04146	0.7
212.07631	3.7
230.08768	2.1
245.05103	3.5
248.09816	0.9
259.04962	0.7
313.43591	0.7
323.32831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91005	0.9
53.03948	4.9
54.33162	0.9
55.05516	27.2
57.03447	5.7
57.07082	38.4
59.05008	1.0
65.03931	3.7
67.05510	83.8
69.07072	26.0
69.17361	10.3
69.67641	0.9
71.01348	2.0
71.04998	3.2
71.08637	25.9
79.05499	35.2
81.03436	5.8
81.07062	42.9
83.04983	7.2
83.08621	21.7
85.06552	3.6
85.10188	14.3
91.05489	18.0
93.07053	37.3
95.04977	4.4
95.08614	34.6
97.06537	7.9
97.10177	14.7
99.08100	2.6
105.04500	1.2
105.07028	4.6
107.04952	1.3
107.08599	22.3
109.06599	1.0
109.10163	41.5
111.08109	2.5
111.11722	3.2
117.07024	4.3
119.08606	6.2
121.10149	9.2
123.11679	5.8
125.06011	1.6
125.09631	1.9
125.13260	1.4
125.40383	1.0
133.10136	3.1
135.11696	39.6
137.09604	3.3
137.13210	2.4
145.10114	7.0
153.12746	1.8
155.10713	2.2
163.11176	5.2
168.23071	1.1
173.11758	7.0
181.12247	8.6
199.13449	1.0
239.23683	6.1
265.25284	2.8
313.27567	1.2
327.53723	1.0
347.59229	1.0
483.25082	1.3
493.38889	100.0
494.39316	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	493.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03942	5.3
55.01869	2.5
55.05266	1.6
55.05514	19.1
57.03443	6.9
57.07078	48.5
63.72725	1.1
65.03947	2.1
67.05508	68.0
68.05857	1.3
69.03435	3.2
69.07073	24.3
69.19912	10.7
71.01344	4.1
71.04993	4.8
71.08636	32.6
79.05496	42.5
79.51182	1.1
80.05803	1.1
81.03422	8.9
81.07063	48.6
81.57077	1.2
82.07377	1.4
83.04987	8.7
83.08615	18.7
85.06578	2.5
85.10188	18.7
91.05482	22.7
91.83169	1.1
93.07047	46.9
93.07645	2.3
95.04973	4.5
95.08611	39.5
97.06539	10.7
97.10181	14.6
98.21455	2.1
99.08084	2.6
105.07025	5.7
107.04949	1.9
107.08597	28.9
109.02903	1.2
109.06506	1.5
109.10160	24.6
111.08125	1.8
111.11708	2.3
117.07028	4.8
119.08572	5.6
121.10155	7.9
123.11710	6.1
125.09635	2.8
125.13237	1.7
130.07822	1.3
131.08539	1.2
133.10133	3.5
135.08102	1.3
135.11696	60.1
137.13258	1.9
145.10118	10.7
151.14790	1.4
153.12735	2.3
157.10103	1.2
163.11185	7.4
171.85161	1.3
173.11772	1.9
181.12251	12.7
199.13342	1.6
239.23746	11.9
271.87793	1.0
283.26199	2.1
313.27737	1.7
368.90985	1.3
384.93701	1.2
445.61472	1.1
493.38904	100.0
494.39301	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	493.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01871	14.0
55.05513	37.3
57.03429	10.2
57.07072	3.3
59.59373	1.9
61.82441	2.1
65.03937	5.2
65.36092	1.9
67.05506	60.5
69.03425	6.4
69.07076	17.2
70.63255	2.0
70.63595	5.9
71.04976	8.9
73.02861	2.3
79.05495	58.8
81.03423	74.8
81.07057	58.9
83.04997	22.6
83.08621	31.3
85.02914	16.9
85.06553	4.7
91.05479	47.4
93.07046	64.3
95.04981	34.7
95.08610	54.2
97.02890	6.7
97.06531	8.1
97.10168	10.3
99.04465	6.0
103.05489	4.3
105.07038	30.3
107.04939	23.3
107.08601	43.1
109.06520	7.8
109.10154	17.2
111.04446	13.8
111.08089	8.5
115.05452	3.3
117.07021	16.9
119.08589	30.4
121.02876	4.8
121.06498	8.0
121.10140	18.9
123.04417	2.7
123.08058	3.7
123.11727	4.2
125.09632	9.6
129.07010	13.6
131.08563	19.7
133.06474	4.2
133.10107	14.6
135.08051	4.3
135.11693	47.3
141.07132	2.3
142.07771	3.2
143.08595	4.3
145.06525	2.3
145.10149	35.0
147.04398	2.6
147.08037	4.5
147.11649	15.5
149.05934	2.3
149.09592	4.8
153.12764	6.8
157.10104	13.8
159.11639	2.8
161.09637	2.9
163.11179	64.7
165.12747	5.6
173.09589	4.3
175.11154	14.6
176.30177	2.5
181.12247	22.5
189.11250	6.3
191.10754	6.9
193.12241	42.9
201.12880	3.0
207.13820	2.3
209.11726	10.1
211.11380	2.1
211.13280	55.7
211.15286	3.3
227.12787	100.0
229.14363	2.7
247.13263	7.9
249.14816	5.9
267.15936	20.4
283.15457	11.9
322.78265	2.8
325.86374	2.2
355.22806	3.0
383.22192	5.4
401.23230	6.4
475.26886	19.4
493.27985	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2809
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03945	1.3
55.01853	1.3
55.05314	0.6
55.05517	6.3
56.05029	0.9
57.03423	0.9
67.05510	7.2
69.03432	1.2
69.07054	2.2
71.04978	1.3
71.51690	0.9
72.08157	48.2
79.05489	6.4
81.03423	4.4
81.07070	6.9
83.04977	2.3
83.08598	1.7
91.05473	5.8
93.07057	5.3
95.04968	1.9
95.08614	3.6
97.06531	1.8
97.10148	1.4
100.07629	0.6
103.05463	2.4
105.07030	4.7
107.04948	1.6
107.08614	3.0
108.63141	0.6
109.10155	2.3
111.04444	0.7
117.07031	1.5
119.08586	1.9
120.08110	100.0
121.06485	1.0
121.08405	0.9
121.10156	2.1
123.04446	0.7
125.09665	0.8
129.07016	1.4
131.08592	1.8
133.10130	2.1
135.08116	1.0
135.11732	1.5
142.08827	0.6
145.10109	0.9
147.11734	1.4
149.13266	0.7
153.12766	0.7
155.08493	0.7
157.10167	1.2
161.13263	0.7
163.11203	1.5
171.14929	6.5
174.12845	2.2
175.11252	0.8
193.12236	1.9
195.13936	0.7
199.14456	6.8
211.13251	1.1
214.12071	0.7
219.14951	16.5
227.12840	2.9
247.14432	20.3
267.14850	8.4
273.19818	0.9
295.14423	11.5
301.19125	3.3
312.77261	0.6
321.19666	0.7
346.21274	6.0
349.19211	1.3
394.21283	3.6
465.28561	0.9
465.39490	0.6
475.26138	0.7
475.31186	1.1
493.27420	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	493.2437
Annotation	Scupolin J
Peak:m/z	Relative Intensity
53.03934	8.4
55.01885	13.4
55.05514	24.3
57.03430	6.0
57.32444	2.7
63.11309	2.6
65.03930	5.9
66.07163	2.3
67.05507	52.0
69.03416	9.0
69.07066	16.9
69.97390	12.6
71.04975	7.7
73.02914	2.3
79.05498	51.3
81.03422	81.8
81.07059	49.7
83.04992	24.9
83.08627	29.8
85.02901	12.1
85.06529	7.1
91.05492	47.0
93.07052	49.7
95.04981	42.9
95.08614	33.9
97.02881	13.8
97.06528	10.3
97.10163	9.2
98.20790	3.2
99.04456	2.9
103.05446	3.6
105.07041	24.2
107.04961	20.6
107.08611	29.8
109.02878	5.8
109.06516	10.5
109.09461	4.1
109.10168	46.8
111.04448	21.5
111.08083	11.1
117.07019	11.7
119.08584	27.2
121.02878	100.0
121.06512	7.8
121.10144	25.8
123.04424	7.4
123.08067	10.0
123.11738	5.1
125.05979	4.7
125.09640	9.7
127.03928	3.6
129.07030	12.8
131.04958	3.0
131.08574	14.8
133.06494	6.4
133.10143	17.1
135.04515	3.3
135.08083	7.2
135.11700	47.2
137.06006	3.4
137.09608	9.2
139.03925	13.5
139.04781	2.6
139.05840	2.6
139.11122	3.1
142.07683	2.9
143.08560	3.3
145.06526	3.4
145.10121	20.3
147.08038	6.1
147.11681	9.1
149.05995	2.7
149.09618	11.1
151.11206	4.3
151.14848	6.3
153.09077	3.3
153.12752	11.9
155.08572	3.4
157.10071	12.4
160.82393	2.8
161.05986	3.0
163.11174	30.1
165.09325	2.5
171.11670	2.9
173.08284	2.8
173.09656	10.2
175.11212	9.8
175.14763	13.6
181.12239	18.5
185.13242	3.9
189.11247	3.6
191.10693	15.1
193.12234	23.7
193.15916	16.3
209.11723	18.7
211.13345	10.0
211.16898	29.2
227.12776	28.7
231.13762	2.9
235.13364	3.1
247.13417	5.6
249.14899	8.3
265.06955	6.9
265.14334	3.9
267.15881	8.7
271.13220	2.8
283.08133	7.8
283.15393	12.1
355.22766	4.1
365.21149	6.2
373.23788	4.2
383.22357	12.7
401.23132	14.3
404.38370	2.8
419.24298	5.0
457.25443	2.8
475.26709	15.4
483.97211	2.9
493.27988	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1346
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
59.55793	0.2
67.05476	0.4
69.03352	0.3
69.07012	0.3
70.06532	0.7
71.50826	0.2
71.51229	0.3
72.08104	0.2
77.36927	0.2
79.05477	0.4
81.03404	0.3
81.07035	0.3
84.08083	0.3
91.05418	0.5
93.06966	0.3
95.04949	0.2
95.08578	0.3
97.02843	0.3
97.06483	0.4
98.41397	0.2
105.06949	0.4
109.10118	0.2
112.58836	0.2
121.10160	0.3
123.04395	0.4
133.10144	0.3
137.05920	0.8
142.16586	0.2
147.04362	0.3
149.05980	0.3
153.01785	0.8
154.02667	0.3
161.05981	0.3
167.07112	0.4
178.02530	0.3
181.04936	0.8
241.05186	0.3
242.05734	1.9
258.05249	1.8
259.09625	0.5
269.04538	0.3
270.05249	7.7
273.04068	1.2
286.04709	0.8
287.05487	2.9
294.67819	0.2
298.04788	0.3
299.05502	0.8
301.03415	1.9
302.04312	2.1
313.03442	0.8
315.05008	33.7
316.05737	3.9
331.08145	100.0
332.08496	2.0
412.26212	0.2
493.20139	0.3
493.28513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3008
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03952	10.6
55.01879	6.8
55.05517	37.6
57.03447	16.3
57.10704	2.9
65.03938	5.9
67.05178	5.1
67.05511	67.9
69.03428	5.5
69.07066	11.6
70.63660	7.5
71.04990	6.5
79.05500	83.2
80.19665	3.0
81.03426	49.0
81.07058	60.1
83.04985	19.8
83.08639	20.1
85.02916	11.8
85.06559	3.2
91.05489	100.0
93.07055	58.7
95.04975	30.0
95.08605	31.8
95.58248	2.6
96.04352	2.7
97.06547	7.3
97.10184	12.3
105.04512	3.5
105.07045	63.7
105.23453	2.7
105.68735	2.7
107.04961	12.5
107.08598	28.9
109.06535	7.7
109.10139	9.4
111.08102	6.0
117.07021	17.2
119.04967	4.7
119.08590	35.7
121.06518	6.6
121.10163	10.0
123.08103	6.4
123.11706	12.2
125.09617	7.3
128.06287	5.0
129.07016	25.5
131.08589	13.8
133.10117	15.4
135.08014	4.9
142.07846	4.4
143.08548	12.1
145.10144	11.9
147.08015	5.3
147.11691	37.0
149.09648	5.1
157.10121	8.4
161.13300	9.1
163.11246	5.3
165.12807	3.8
167.08513	3.4
169.10138	3.3
171.08162	3.5
171.11694	23.1
175.11205	7.7
185.13208	5.1
187.13341	4.3
189.11255	3.5
189.12796	7.4
193.12311	23.0
195.11534	4.0
207.13860	18.5
211.13179	18.6
227.12779	6.0
249.14861	8.3
267.15948	21.2
268.05460	3.5
281.17511	24.6
305.17377	4.8
381.24408	4.4
399.25449	6.9
417.26965	3.6
473.29083	45.8
491.30112	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3007
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03946	7.4
55.01869	8.4
55.05517	37.7
57.03437	15.1
65.03931	10.7
66.72073	4.3
67.05509	70.4
69.07059	16.9
70.76031	5.2
70.76358	11.1
71.04996	6.8
79.05495	67.1
81.03428	50.0
81.07064	81.6
83.04983	19.1
83.08619	32.7
85.06538	7.6
91.05489	100.0
93.07055	61.7
95.04974	27.4
95.08608	36.3
97.06520	6.5
97.10162	17.9
98.32360	4.9
105.07050	56.1
107.04952	9.9
107.08625	26.2
109.06547	8.9
109.10146	9.8
111.08085	5.8
117.07053	27.0
119.05000	5.0
119.08575	33.6
121.10143	6.1
123.08059	10.1
123.11713	16.5
124.98263	4.6
125.09635	15.8
128.06206	8.9
129.07031	31.8
131.08575	20.8
133.06459	6.9
133.10159	25.0
135.11636	6.0
141.07005	6.5
143.08549	19.2
145.10143	16.2
147.08028	7.3
147.11725	30.8
155.08566	10.3
157.10161	9.8
161.13274	12.3
169.10178	6.2
171.11725	13.7
175.11186	6.8
182.27101	4.4
185.13364	8.1
187.13269	6.8
189.11243	6.4
189.12791	10.5
193.12202	11.0
207.13884	15.7
227.12772	8.1
231.13889	7.6
243.15855	9.2
249.14873	18.2
267.15918	30.3
281.17493	31.9
305.17596	9.8
353.72604	4.8
355.17468	5.0
363.23154	6.7
364.87762	4.6
381.24249	13.5
399.25443	8.2
455.27637	12.0
473.29095	78.9
491.30194	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	491.3004
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.17617	2.4
53.03945	7.2
55.01870	10.7
55.02127	2.2
55.05511	36.5
57.03441	10.5
67.05511	44.9
68.71255	2.1
69.03434	2.9
69.07074	14.5
70.65778	5.8
70.66131	3.8
71.05000	14.3
71.52356	2.2
77.03952	3.2
77.55257	2.4
77.82158	2.3
79.05504	56.6
81.03434	11.0
81.07063	48.9
83.04995	11.0
83.08614	15.4
85.06554	6.0
85.51053	2.5
91.05482	35.2
93.07052	57.3
93.07635	2.9
95.04976	22.9
95.08613	23.6
97.06535	10.0
97.10167	18.8
103.05470	4.1
105.07050	21.3
107.04966	45.7
107.08582	20.4
109.06517	27.3
109.10181	14.4
111.04444	3.8
111.08085	4.4
115.05473	6.3
117.07015	12.1
119.08585	14.2
121.06513	37.0
121.10166	23.2
123.04478	3.7
123.08104	8.6
123.11741	2.5
124.96820	2.4
125.09632	15.5
128.06274	4.5
129.07034	10.2
131.04938	5.2
131.08588	22.0
133.06552	7.3
133.10147	9.1
135.08066	17.2
135.11728	7.1
139.11217	5.0
141.07031	5.3
143.08586	8.6
145.06461	14.0
145.10120	12.3
147.04448	3.3
147.08075	10.9
147.11700	4.9
149.05978	2.4
149.09604	6.0
153.09166	4.1
153.12680	3.6
155.08601	7.3
157.06511	3.0
157.10194	6.6
159.08113	8.0
159.11714	7.0
161.06033	4.4
161.09654	6.0
163.11206	13.8
167.10709	6.1
171.08075	3.8
171.11685	4.1
173.11948	2.5
173.13370	7.2
175.07594	5.7
175.11261	5.9
179.08670	2.9
181.10069	2.5
185.09708	3.3
189.11278	8.3
189.12793	3.1
191.14342	6.6
193.12270	4.2
197.13370	3.9
199.11444	2.6
199.13376	9.9
203.14363	2.9
205.12427	3.1
215.14351	2.8
217.12485	3.5
219.11748	4.0
219.13795	23.5
219.17491	2.7
223.11322	3.0
223.13367	4.1
227.12798	5.9
231.13875	4.0
233.15382	4.6
237.12770	2.8
247.17058	5.5
249.15028	7.7
255.13974	2.5
257.15515	4.3
273.14789	11.7
275.16504	8.9
287.16434	2.6
331.20490	2.6
339.23270	5.5
349.21530	11.6
367.22696	29.6
385.23813	36.2
399.25589	4.4
403.24957	9.2
405.24417	3.6
417.26361	6.9
423.25336	3.6
440.94540	3.0
441.26343	5.9
459.27472	79.9
473.29126	7.3
491.30246	100.0
492.30603	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	491.2995
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
50.30847	1.0
50.83656	1.2
51.59725	1.1
55.05517	9.3
57.07063	4.6
65.03943	1.4
67.05508	35.5
69.07072	9.6
71.08621	2.8
78.08340	1.0
79.05500	10.4
81.03446	1.2
81.07068	17.8
83.05002	1.6
83.08622	6.1
89.10117	1.1
91.05492	9.1
93.07051	12.4
94.42348	1.3
95.08616	11.8
95.48190	1.1
97.06515	2.5
97.10169	5.6
105.07013	3.1
107.08611	5.2
109.10160	16.8
111.08102	2.3
117.07005	1.8
119.08593	4.5
121.10157	4.0
123.11707	3.2
133.10126	5.4
135.11665	8.3
137.09581	1.6
145.10165	1.3
163.14890	1.6
173.11751	4.5
206.00690	1.1
229.40919	1.5
237.22015	2.2
237.51620	1.2
263.23840	1.2
491.29834	100.0
491.37253	38.1
492.30249	2.3
508.77795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.6
55.01871	17.5
55.05515	58.8
55.06050	2.6
56.13728	3.0
57.03423	9.3
57.07075	4.3
59.04986	3.4
62.86334	2.6
65.03932	8.7
65.48952	2.5
67.05511	71.8
69.03405	11.8
69.07069	21.6
70.06608	3.8
71.04980	7.3
71.24788	3.8
79.05085	3.4
79.05502	65.1
81.02989	4.6
81.03425	53.5
81.07056	62.9
83.05005	13.2
83.08231	3.3
83.08624	38.0
85.02889	7.4
85.06519	6.3
91.05485	55.8
93.03389	5.9
93.07048	41.8
95.04986	38.5
95.08608	24.1
97.02885	6.2
97.06520	8.3
97.10177	55.3
99.04473	3.3
103.05431	4.3
103.46985	2.7
105.07037	43.3
107.04955	53.1
107.08600	41.1
109.02849	8.3
109.06499	13.0
109.10161	36.7
111.04425	8.5
111.08060	12.6
115.05438	6.9
117.07031	24.0
119.04917	3.8
119.08586	28.5
121.02879	51.4
121.06504	27.6
121.10124	11.7
123.04415	12.0
123.08050	9.7
123.11732	7.2
125.09646	42.0
127.12740	2.9
128.06233	5.7
129.07045	17.4
131.04924	7.5
131.08569	23.2
132.22276	3.0
133.06508	15.9
133.10143	25.1
135.04396	16.9
135.08038	16.7
135.11725	13.6
137.06029	5.9
137.09576	6.7
139.03877	4.2
139.07428	2.8
141.06923	8.4
142.07718	4.5
143.08531	10.0
145.06502	7.9
145.10126	15.2
147.04433	7.5
147.08041	8.8
147.11676	8.0
149.06020	3.7
149.09576	9.8
151.03873	4.7
151.11163	8.7
153.09087	8.6
153.12700	4.0
154.18901	2.7
155.08511	6.4
157.06493	3.0
157.10074	10.7
159.08014	8.2
159.11667	6.7
161.05943	6.5
161.09656	18.6
163.07591	3.7
163.11183	17.7
165.09114	4.8
167.06998	3.7
169.10071	4.0
171.10126	6.3
171.11565	2.9
173.05975	4.3
173.09605	6.4
173.13245	7.4
175.11169	12.9
177.12717	3.8
179.07181	3.4
179.08557	3.3
181.04997	3.7
181.12204	4.4
183.11647	7.6
185.09612	3.6
187.11165	7.4
189.09270	6.2
189.11191	28.5
191.10683	8.0
193.12238	27.7
201.12700	11.8
203.10643	16.2
205.12241	6.2
209.11722	10.2
211.11176	7.5
219.13794	34.5
225.11140	4.0
227.12775	62.4
229.12189	10.5
235.13327	3.5
247.13293	61.9
249.14786	4.8
263.12784	6.6
265.14264	6.4
281.13672	4.1
327.51492	3.5
353.21057	6.0
363.19443	3.0
371.21924	9.2
373.23688	10.9
381.20712	15.3
389.22949	3.3
399.21786	17.1
417.22452	11.6
437.23776	3.2
445.25775	7.5
455.24493	4.7
463.26447	6.2
473.25424	25.5
491.26169	100.0
492.26245	3.2
496.42026	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	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
55.01866	19.8
55.05515	91.3
57.03438	4.7
59.05013	2.5
61.20935	2.4
65.03947	5.3
67.05507	62.8
69.03441	11.4
69.07067	24.2
69.76690	11.9
71.04987	10.1
79.05500	69.2
81.03429	32.1
81.07060	67.5
83.04998	12.4
83.08625	59.9
85.06558	6.2
91.05482	42.7
91.06021	3.3
93.07047	52.6
95.04978	30.1
95.08617	29.1
97.02895	5.0
97.06532	9.5
97.07093	2.4
97.10177	95.7
98.20834	3.2
101.09596	2.9
103.05497	3.6
105.07036	35.5
107.04958	49.0
107.05629	4.1
107.08597	51.6
109.02866	13.9
109.06527	24.7
109.10154	16.1
111.04412	3.5
111.08105	8.9
113.71837	2.4
115.05424	4.5
117.07025	21.4
119.08578	19.3
121.02882	9.3
121.06512	38.1
121.10161	15.6
123.04446	5.6
123.08079	6.4
123.11715	5.9
125.09633	79.5
127.04010	2.3
128.06213	4.4
129.07005	11.6
131.04910	5.1
131.08574	23.8
133.06499	7.2
133.10132	16.8
135.04433	3.6
135.08067	21.2
135.11723	14.2
137.05968	6.4
137.09685	3.7
141.06978	4.6
143.08560	7.7
143.10739	3.7
145.06497	12.9
145.10132	16.5
147.04457	3.8
147.08037	4.6
147.11691	11.0
149.02330	3.7
149.05861	2.6
149.09612	9.3
149.13182	3.3
151.03925	4.1
151.07484	2.4
153.09087	11.3
153.12709	2.8
155.08585	6.7
157.06578	3.2
157.10146	9.1
159.08075	4.6
159.11703	7.5
161.05946	4.3
161.09615	12.5
163.07565	3.3
163.11131	15.9
165.09189	3.2
169.10159	3.3
171.08057	4.9
171.10202	6.0
171.11681	3.8
173.09593	3.8
173.11877	3.0
173.13289	9.5
175.11249	5.7
175.16800	2.2
177.09178	3.5
177.12761	3.3
179.10693	3.6
181.10074	3.1
181.12260	5.2
183.11707	3.8
185.09743	2.8
185.13261	4.3
187.11171	2.4
189.09193	9.5
189.11229	62.6
189.12900	4.8
191.10582	2.7
191.14278	15.7
193.04953	3.2
193.12260	8.8
199.11227	2.7
199.13283	4.1
201.12776	6.0
203.10619	3.6
209.13260	2.9
211.11221	3.1
215.14384	2.8
219.13815	95.6
221.11790	2.7
225.11180	7.9
227.12772	45.0
229.12321	2.7
247.13261	4.1
247.17023	2.9
249.14761	5.2
263.12796	20.6
273.14746	3.5
275.16422	4.1
281.13470	3.1
319.14514	2.3
339.23447	2.6
349.21582	6.6
353.21048	5.6
363.19467	2.8
367.22580	10.8
371.22000	14.9
381.20566	9.2
385.23688	11.8
389.23248	15.3
399.21317	13.6
403.24475	2.8
407.24231	5.0
417.22360	3.2
441.26126	3.9
445.25726	22.3
447.27344	4.8
459.27527	29.6
463.26959	19.6
473.24887	20.5
491.25592	100.0
492.25937	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	491.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99029	1.6
53.03955	2.0
55.05521	5.9
65.03952	3.3
67.05515	7.4
67.80154	1.6
69.03446	6.3
69.07067	2.7
69.58286	11.1
79.05504	10.5
80.00361	1.6
81.03432	9.7
81.07071	7.5
83.04980	3.2
83.08636	3.3
85.02914	4.1
91.05482	9.0
93.07068	5.7
95.05000	9.5
95.08624	4.2
97.02909	6.8
97.10181	1.8
98.20856	3.6
105.07053	6.7
106.06577	2.5
107.04980	5.0
107.08584	15.7
109.02930	3.7
109.06557	4.3
109.10174	4.8
111.04451	1.8
115.05499	2.1
117.07094	1.8
119.08599	4.4
121.02873	100.0
121.06496	3.2
121.10155	9.1
122.07297	4.3
123.08105	2.3
125.09637	2.3
127.03960	3.8
131.04979	2.5
131.08563	4.5
133.10139	73.5
135.08096	6.8
137.09624	36.4
139.03899	16.5
145.06528	2.1
145.10214	2.0
147.11678	1.8
149.13321	9.1
151.07600	2.1
161.09624	1.9
173.13301	5.5
191.14320	31.1
209.15393	2.6
227.12794	3.0
265.07159	7.6
283.08044	12.1
491.25900	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68501	2.1
53.03949	7.6
55.01868	10.4
55.05512	20.6
57.03437	6.0
65.03934	7.3
67.05513	35.5
69.03428	8.6
69.07080	11.0
69.29391	20.2
70.19765	2.6
71.04985	8.0
79.05499	37.5
81.03420	21.6
81.07064	40.2
83.04967	7.6
83.08635	14.6
85.02901	8.0
85.06530	3.4
91.05486	31.9
93.06483	2.6
93.07053	31.2
95.04980	25.2
95.08615	19.1
97.02872	6.4
97.06518	8.2
97.10188	11.2
103.05482	4.1
105.07030	22.2
106.10880	2.4
107.04974	30.8
107.08607	31.6
109.02886	4.9
109.06511	10.2
109.10165	14.6
111.04436	4.8
115.05421	6.0
117.07031	14.9
119.04964	2.6
119.08595	13.8
121.02870	100.0
121.06484	23.3
121.10139	19.3
122.07240	2.6
123.04425	6.5
123.08065	4.3
123.11712	4.9
125.09637	12.9
126.04376	2.2
127.03889	4.9
128.06229	4.7
129.07025	9.2
131.04929	6.4
131.08557	16.1
133.06512	6.0
133.10139	86.5
135.04431	4.0
135.08037	11.6
135.11705	9.8
137.05997	20.0
137.09636	42.9
139.03917	17.7
141.06946	2.8
143.08571	5.6
145.02856	2.8
145.06506	6.8
145.10150	12.3
146.03624	2.8
147.04414	3.8
147.08032	5.7
147.11697	5.6
149.05963	2.3
149.09625	7.9
149.13246	7.8
151.03946	3.2
151.07532	9.4
153.01776	2.4
153.09181	2.8
157.06509	3.2
157.10088	4.1
159.08063	3.4
159.11676	3.4
161.06026	11.3
161.09595	5.9
163.07532	5.5
163.11211	14.0
167.07056	3.1
167.10748	2.8
171.11699	5.3
173.09605	3.2
173.13287	9.6
175.07538	5.6
175.11180	5.4
177.05476	4.2
177.09135	7.3
187.07555	2.8
189.09113	4.1
189.11177	4.8
191.06975	3.1
191.14323	37.6
193.12260	6.1
195.10179	4.9
199.13295	4.9
201.12805	2.9
203.10709	6.2
205.12228	2.8
206.04480	3.0
209.11713	4.3
213.12875	2.4
219.13828	8.0
227.12769	25.4
234.06714	2.6
247.13341	12.4
248.08151	2.3
249.09085	4.0
249.14767	4.3
263.12927	2.4
265.06985	3.8
277.08615	6.8
283.08057	14.5
297.11334	3.7
309.11279	6.4
311.12747	2.5
339.14050	5.0
349.21378	3.7
363.19379	2.6
367.22568	9.8
371.89050	2.6
381.20447	4.1
385.23761	11.7
399.21393	5.1
435.92969	2.5
447.18079	3.8
459.27341	23.9
473.25162	4.1
491.19922	8.8
491.26620	12.1
491.29938	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	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03943	2.4
55.05269	1.3
55.05512	14.9
57.03432	4.0
57.07075	2.6
59.04996	2.3
65.03932	3.9
67.05508	69.9
69.07073	12.3
69.29127	9.7
71.04990	3.3
79.05499	30.1
81.07057	36.7
83.04950	2.2
83.08617	8.5
85.06503	1.8
91.05484	24.0
93.06485	1.8
93.07050	29.3
95.04957	2.3
95.08619	23.4
97.06527	3.2
97.10160	4.8
97.68884	1.0
100.06986	1.0
105.07041	24.5
107.07893	1.2
107.08596	16.7
109.10160	38.3
110.36740	1.0
111.08118	2.5
117.07021	6.5
119.08588	24.3
121.10148	16.0
123.08067	1.4
123.11690	2.7
125.09649	1.5
126.59592	1.1
128.06203	1.3
129.07028	5.5
131.08569	16.1
133.10130	17.1
135.11705	10.2
137.09593	1.5
139.11154	2.7
141.07004	1.7
143.08572	3.1
145.10123	14.6
147.11691	13.7
149.09727	1.3
149.13261	5.1
155.08585	3.0
155.10692	3.2
157.10144	4.6
159.11713	11.3
161.13284	6.9
163.14825	1.3
168.75160	1.0
169.10077	2.6
171.11697	4.4
173.11752	7.5
173.13277	7.8
175.14806	3.7
183.11700	3.1
185.13272	4.1
187.14853	4.7
189.16328	1.3
197.13264	2.7
199.14920	3.6
211.14911	1.8
213.14735	2.5
213.16496	1.9
221.37933	1.1
225.16415	1.3
239.17921	2.0
243.21141	1.9
259.20599	1.5
261.22131	4.3
273.22128	1.7
285.22241	2.2
299.23615	1.6
315.23218	1.2
317.24823	3.0
363.25305	1.4
377.26917	2.4
379.29968	11.9
391.28455	1.4
397.30966	13.5
415.32065	4.0
433.33286	2.8
471.34616	15.8
488.88168	1.4
489.35797	100.0
490.36420	2.9
496.48660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.3
53.03944	3.8
55.01859	2.3
55.05515	17.2
57.03432	5.4
57.07065	3.2
59.05009	1.9
65.03956	1.9
67.05511	60.1
67.26463	1.3
69.07069	15.8
69.16523	8.0
69.16947	5.6
69.55762	1.3
69.86825	1.2
71.04985	1.5
72.05080	1.2
79.05497	29.2
81.07056	34.9
83.05008	2.7
83.08617	8.2
85.06541	3.3
86.21590	1.4
91.05486	24.1
93.07049	33.4
95.04985	2.1
95.08616	23.4
97.06541	3.3
97.10185	5.5
98.20799	3.2
103.05452	1.9
105.07042	29.3
107.08611	17.0
109.06564	1.7
109.10163	28.2
111.08102	2.8
116.06234	1.2
117.07007	10.5
119.08596	35.3
121.10149	14.4
123.11726	2.3
125.09650	3.1
128.06201	1.2
129.07007	6.1
131.08577	19.1
133.10126	16.0
135.11720	8.2
137.09610	2.4
141.07018	3.0
143.08594	10.2
145.10127	21.7
147.11702	11.4
149.13335	4.7
150.98877	1.3
155.08601	3.8
155.10677	2.3
157.10126	7.2
159.11734	13.3
161.13231	7.8
169.10187	4.1
171.11653	6.7
173.11781	5.7
173.13298	9.2
175.11235	2.2
175.14896	5.3
183.11734	5.5
185.13280	6.4
187.14883	4.5
195.11748	1.6
197.13341	3.8
199.14885	3.3
201.16374	3.5
211.14931	2.6
213.16525	2.6
223.14809	2.0
225.16420	1.9
227.18051	2.1
253.19533	2.1
261.22235	3.8
267.21359	1.9
271.20538	3.4
285.22232	2.2
299.23804	3.2
301.21689	1.6
317.24600	1.7
337.25345	1.5
369.31638	1.7
377.27112	3.7
379.29977	12.9
391.28690	3.0
397.31039	22.2
415.32242	3.9
433.33215	2.9
471.34671	15.9
489.35855	100.0
490.36200	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03953	3.3
55.01877	2.7
55.05517	15.3
57.03428	4.8
57.07082	2.4
59.05006	2.6
65.03948	3.0
67.05513	67.4
69.07074	15.9
71.05015	2.5
71.98247	1.0
73.85021	1.1
77.03918	1.3
79.05504	29.8
81.07063	35.2
83.04993	1.9
83.08621	8.1
85.06560	1.7
89.21835	1.0
91.05488	23.7
93.07060	34.8
95.05000	2.1
95.08057	2.4
95.08620	24.4
97.06563	3.9
97.10181	5.2
99.08159	1.5
105.07045	26.4
107.08603	18.1
109.06557	1.8
109.10170	29.7
109.10930	1.4
111.08121	2.5
117.07063	10.4
119.08597	28.7
121.10158	13.3
123.08030	1.4
123.11708	3.0
125.09657	2.7
129.07010	5.4
131.08586	18.1
133.10144	19.0
135.11703	9.8
136.42987	1.1
137.09619	2.1
138.52797	1.2
139.11241	3.5
143.08546	6.8
145.06604	1.5
145.10139	17.4
147.11688	14.1
149.13316	4.3
155.08585	2.6
155.10715	1.8
157.10117	5.7
159.11696	12.4
161.13293	7.7
163.11288	1.7
163.14825	1.4
169.10205	2.1
171.11742	6.4
173.11775	6.1
173.13313	9.3
175.14850	2.9
183.11703	4.3
185.13313	4.7
187.14870	6.0
189.16446	1.4
195.11748	1.8
197.13295	3.8
199.14882	4.1
201.16370	2.4
211.14893	2.3
213.14760	1.8
213.16545	3.0
225.16589	2.3
239.17935	2.0
241.19615	1.9
253.19626	1.4
259.20718	1.5
261.22269	3.3
273.22095	1.6
285.22137	2.5
289.21823	1.3
299.23923	2.4
315.23279	1.8
317.24860	2.3
353.67209	1.4
377.27084	4.3
379.30127	11.4
391.28662	1.5
397.31097	17.6
415.32193	5.4
433.33176	2.1
471.34863	13.2
486.97559	1.3
489.35846	100.0
490.36356	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	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03956	5.6
55.05514	21.5
55.36803	1.1
57.03442	5.2
57.07074	2.5
59.05004	2.1
65.03938	2.8
67.05509	82.5
69.07073	14.2
69.24866	1.1
71.04989	3.9
79.05498	33.7
81.07060	39.1
83.04996	2.7
83.08624	9.1
85.06541	2.5
91.05486	30.0
92.05819	1.3
93.07052	41.8
95.04961	2.3
95.08611	28.7
97.06550	3.1
97.10184	3.8
98.21561	1.6
99.08105	1.3
103.33791	1.0
105.07037	26.5
107.08605	20.8
109.06516	2.1
109.10159	47.6
110.33039	0.9
111.08103	3.4
117.07025	10.4
119.08585	31.9
121.10143	17.7
123.11740	2.5
125.09615	1.6
128.06253	1.3
129.07036	4.9
131.08580	17.8
133.10136	17.1
135.11703	10.2
137.09624	3.3
139.11241	1.9
143.08585	5.1
145.10120	15.3
147.11693	11.5
149.09601	1.1
149.13318	5.2
155.08647	2.5
155.10675	5.0
157.10158	6.6
159.11703	13.4
161.13280	5.2
169.10139	2.9
171.11676	5.7
173.11768	12.3
173.13304	7.7
175.14885	3.2
181.09966	1.4
183.11702	3.6
185.13303	6.6
187.14856	6.1
197.13165	4.8
199.14832	5.2
201.16360	1.4
211.14905	2.7
213.14644	1.2
213.16502	2.1
225.16493	1.6
239.17990	2.0
243.21072	1.5
255.21442	1.1
257.18787	1.5
259.20737	1.5
261.22256	4.4
285.22134	2.0
287.23944	1.2
299.23831	2.3
303.23074	1.4
317.24838	1.8
377.26935	2.7
379.29990	13.1
391.28510	1.9
397.31036	16.2
415.32120	3.4
433.33109	2.5
453.33420	1.6
471.34708	13.5
489.35831	100.0
490.36221	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	489.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61136	2.7
55.01877	3.5
55.05508	14.0
55.85176	2.7
56.60094	2.6
57.03397	4.0
57.07072	7.5
60.17209	2.8
66.19023	3.6
67.05178	3.4
67.05504	34.3
67.48228	2.9
69.03417	5.1
69.07071	28.6
70.04829	14.1
71.04996	7.1
74.67778	3.1
79.05481	18.6
81.03393	3.1
81.06593	6.0
81.07059	100.0
83.08601	10.6
85.02905	22.4
85.06547	28.2
88.06145	2.8
91.05489	11.6
92.95825	2.9
93.07048	31.0
94.62078	3.4
95.04991	5.6
95.08609	89.7
97.02898	5.6
97.06519	4.8
97.10153	10.0
99.08096	22.0
105.07075	6.4
107.08593	36.2
109.02872	3.4
109.10159	51.3
111.08081	7.4
111.11701	6.8
113.09634	6.7
119.08575	8.8
121.10139	26.7
123.08086	3.1
123.11704	27.5
124.25965	3.5
127.03938	4.3
133.10133	7.7
135.11688	25.9
137.05983	4.3
137.13264	14.2
139.03891	4.4
147.11667	8.7
149.13246	38.6
160.10410	4.0
161.13231	4.8
163.14854	19.2
168.46786	3.1
175.14784	4.6
177.16380	13.6
181.15863	5.2
191.17926	5.4
196.07747	3.7
203.17982	5.5
217.19514	8.6
223.20567	2.8
235.20668	3.8
273.25757	12.4
279.26791	6.8
288.06171	2.9
291.26831	36.8
295.01004	3.0
295.06555	3.2
309.27844	12.3
327.12222	3.5
327.28961	3.2
353.37140	3.8
489.15701	6.4
489.23016	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61136	2.7
55.01877	3.5
55.05508	14.0
55.85176	2.7
56.60094	2.6
57.03397	4.0
57.07072	7.5
60.17209	2.8
66.19023	3.6
67.05178	3.4
67.05504	34.3
67.48228	2.9
69.03417	5.1
69.07071	28.6
70.04829	14.1
71.04996	7.1
74.67778	3.1
79.05481	18.6
81.03393	3.1
81.06593	6.0
81.07059	100.0
83.08601	10.6
85.02905	22.4
85.06547	28.2
88.06145	2.8
91.05489	11.6
92.95825	2.9
93.07048	31.0
94.62078	3.4
95.04991	5.6
95.08609	89.7
97.02898	5.6
97.06519	4.8
97.10153	10.0
99.08096	22.0
105.07075	6.4
107.08593	36.2
109.02872	3.4
109.10159	51.3
111.08081	7.4
111.11701	6.8
113.09634	6.7
119.08575	8.8
121.10139	26.7
123.08086	3.1
123.11704	27.5
124.25965	3.5
127.03938	4.3
133.10133	7.7
135.11688	25.9
137.05983	4.3
137.13264	14.2
139.03891	4.4
147.11667	8.7
149.13246	38.6
160.10410	4.0
161.13231	4.8
163.14854	19.2
168.46786	3.1
175.14784	4.6
177.16380	13.6
181.15863	5.2
191.17926	5.4
196.07747	3.7
203.17982	5.5
217.19514	8.6
223.20567	2.8
235.20668	3.8
273.25757	12.4
279.26791	6.8
288.06171	2.9
291.26831	36.8
295.01004	3.0
295.06555	3.2
309.27844	12.3
327.12222	3.5
327.28961	3.2
353.37140	3.8
489.15701	6.4
489.23016	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
51.41319	0.7
53.03950	6.6
55.01875	5.5
55.05517	15.6
57.03427	3.6
57.07071	1.4
65.03938	3.8
67.05509	37.6
69.03432	2.4
69.07072	10.3
71.04992	3.1
71.06773	1.7
73.06548	1.3
77.03938	0.9
78.09398	0.8
79.05499	58.9
81.03424	7.3
81.07064	37.0
83.04991	8.3
83.08622	9.0
85.06535	1.3
91.05489	40.9
93.07052	61.4
93.30853	0.7
95.04982	16.0
95.08612	46.6
97.02901	5.1
97.06522	4.9
97.10161	1.4
98.98518	0.8
99.04469	3.3
103.05479	2.3
105.04517	1.7
105.07040	28.5
107.04964	12.8
107.08602	30.5
109.06530	4.6
109.10167	4.8
111.04440	1.7
111.08091	2.2
111.62925	0.8
113.06030	0.7
114.10325	1.2
117.07021	14.4
119.08580	20.4
121.06519	8.4
121.10147	13.8
123.08091	2.7
125.05987	3.0
125.09658	1.1
127.07574	1.0
128.06227	2.8
129.07013	9.5
130.07776	2.4
131.08563	4.2
133.10155	7.3
135.08064	3.4
135.11700	40.7
139.07498	2.0
143.08586	5.9
145.06389	0.8
145.10143	29.4
145.11302	1.5
147.08026	1.2
147.11702	15.4
153.12819	1.2
155.08508	0.9
159.11656	1.3
161.09630	1.8
161.13261	6.3
163.11191	56.4
171.11703	13.1
181.12253	13.3
189.12744	5.4
199.14836	0.8
207.13850	14.4
209.11725	2.0
225.14865	2.4
227.12798	100.0
228.13145	1.6
283.15302	1.2
335.25845	0.9
346.64282	0.7
379.26456	1.0
397.27390	1.2
471.31155	1.7
489.28378	45.0
490.28259	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	488.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69799	0.7
55.05513	6.5
56.05040	1.8
57.03419	0.8
61.04097	0.9
62.92484	1.0
69.03433	1.4
70.06573	1.4
70.28934	3.2
74.02441	2.4
82.06589	24.6
82.91608	0.9
84.08148	2.0
85.02906	2.0
89.03918	1.9
91.05492	5.1
92.76167	0.8
97.02926	1.1
100.07622	25.2
105.03411	0.8
116.43073	0.9
117.03419	1.8
119.01962	1.5
119.04945	7.8
125.21344	0.8
128.07095	12.7
130.08684	1.6
145.01891	0.9
145.02805	4.3
146.08136	100.0
147.04420	18.9
148.04689	1.0
163.03880	1.0
169.03568	1.3
173.02991	1.1
175.03900	7.8
177.05478	8.9
181.02411	0.8
207.06543	11.2
245.05139	1.4
247.04750	1.2
265.05685	1.6
281.33994	0.9
339.07349	1.2
357.08472	2.2
367.67557	0.9
375.09393	5.8
393.10370	1.5
419.08273	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	487.3422
Annotation	Acerinol
Peak:m/z	Relative Intensity
52.10723	1.6
52.15983	1.2
53.03947	2.5
55.01870	2.3
55.05521	15.6
57.03444	3.9
57.07061	1.5
59.05012	1.8
67.05508	46.3
69.07073	11.7
69.86079	2.5
69.86501	5.4
71.04998	1.7
71.56152	1.4
79.05494	21.6
81.07064	25.6
83.04978	2.1
83.08623	8.4
85.06548	2.4
91.05479	28.1
93.07057	16.4
95.04993	3.1
95.08614	18.9
97.06535	1.7
97.10187	4.4
103.05492	2.0
105.07037	28.3
107.08591	13.0
109.10166	22.4
117.07021	15.6
119.08585	23.4
121.10125	7.1
121.47848	1.5
121.48824	1.5
123.08006	2.4
125.09655	3.3
128.06238	3.9
129.07008	8.5
130.07838	1.7
131.08575	22.8
133.10135	15.7
135.11691	3.3
141.07043	2.9
143.08553	13.0
145.10141	20.5
147.11714	10.4
155.08604	5.6
157.10139	18.5
159.11703	16.1
161.13316	3.4
169.10118	7.5
171.11714	12.6
173.11795	4.4
173.13289	11.4
175.14815	2.5
181.10170	4.1
183.11742	6.6
185.13289	9.5
187.14914	4.0
195.11765	5.0
197.13361	6.5
197.82495	1.4
199.14859	5.2
206.88658	1.5
207.11830	1.5
209.13321	5.2
211.14851	3.0
223.14911	2.4
237.16449	2.2
241.19604	3.3
257.18909	2.1
259.20651	3.8
269.18890	2.0
271.20551	1.9
283.20612	2.2
285.02109	1.4
297.22089	2.6
299.23898	1.9
301.21664	2.2
315.23090	2.7
321.22275	2.0
330.38565	1.5
377.28561	7.5
395.29471	18.4
413.30627	5.5
431.31635	1.8
469.33264	6.1
487.34314	100.0
488.34760	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81567	0.9
51.02367	2.6
52.04034	1.0
53.03951	10.7
55.01881	5.1
55.05273	1.7
55.05518	24.4
57.03425	3.8
57.07069	1.4
65.03943	7.1
67.05509	71.0
69.03419	1.8
69.07072	12.6
70.63703	3.1
71.04976	2.6
73.06554	2.8
75.37055	0.9
77.03933	3.5
77.45367	0.9
79.05501	100.0
79.40951	0.9
81.03428	14.4
81.07063	54.9
83.04981	15.6
83.08621	6.3
85.06539	1.8
85.16855	0.9
91.05488	79.2
93.07049	75.6
95.04974	28.3
95.08614	32.3
97.02843	1.2
97.06524	7.9
97.10169	4.8
99.08105	1.5
103.05464	2.2
105.04522	3.5
105.07039	56.2
106.07347	1.0
107.04955	7.3
107.08601	23.7
109.06542	7.4
109.10152	4.2
111.08109	1.4
115.05450	1.8
117.07011	13.2
119.08592	34.9
121.06504	3.4
121.10151	6.2
123.08084	8.1
125.34916	0.9
127.07542	1.6
127.60699	0.8
128.06245	4.6
129.07016	23.1
129.07928	2.0
130.07893	1.1
131.08563	4.5
133.06506	1.4
133.10159	14.0
135.08023	1.1
135.11681	2.2
141.06976	1.1
141.09143	1.1
143.08585	10.7
145.10135	12.2
147.08051	3.3
147.11697	44.4
156.09383	1.1
157.10074	1.0
159.11710	1.4
161.09644	5.9
161.13281	19.5
163.11220	1.6
169.10179	1.3
171.11699	44.3
179.14261	6.2
189.12770	18.0
207.13809	47.3
225.14798	5.6
233.20566	1.1
254.16479	0.9
263.16452	1.8
281.17468	4.3
359.19019	1.0
371.98752	1.0
423.24988	1.0
428.51715	1.0
443.32547	0.9
469.29160	1.6
487.30554	43.9
488.31061	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	487.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.1
51.02386	1.5
51.69788	1.0
53.03949	9.6
55.01862	3.4
55.05270	1.6
55.05517	25.2
57.03423	3.5
62.68983	1.1
64.73230	1.1
65.03949	5.3
67.05511	70.4
69.03428	2.4
69.07071	14.6
69.97327	3.3
69.97741	2.7
70.03403	1.0
71.05000	2.8
73.06541	1.7
77.03923	2.9
79.05497	100.0
81.03426	12.2
81.07063	51.6
83.04983	15.6
83.08622	7.5
83.49512	1.0
85.06533	1.9
91.05487	74.0
93.07048	76.3
95.04977	27.6
95.08614	33.0
97.06525	7.7
97.10168	3.4
100.34631	1.0
103.05490	1.9
105.04546	2.8
105.07038	54.4
107.04970	6.6
107.08598	21.0
109.06528	7.8
109.10132	6.4
111.08078	1.7
115.05433	2.1
117.07039	13.8
119.08591	27.9
121.06519	3.2
121.10165	6.9
123.08068	8.2
127.07563	1.8
128.06238	4.9
129.07016	20.0
131.08562	3.4
133.10146	15.5
133.15211	1.0
135.11775	2.0
137.09592	1.2
143.08583	11.5
145.10139	14.0
147.08060	3.2
147.10512	2.6
147.11690	44.8
159.11668	2.2
161.09633	5.7
161.13261	18.5
163.11165	2.3
163.58992	1.1
169.10207	1.4
171.11690	40.7
179.14316	3.5
189.12741	15.9
207.13821	44.6
225.14877	4.1
241.11165	1.2
263.16467	1.7
281.17572	4.1
444.80453	1.2
487.30600	44.8
488.30981	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	2.1
51.02362	2.4
53.03952	11.2
55.01867	3.4
55.05511	21.7
57.03430	4.4
59.05013	1.6
60.79922	1.3
62.02539	1.3
65.03951	6.4
67.05508	73.8
69.03434	2.1
69.07071	11.8
70.85872	2.9
70.86203	1.8
71.04977	3.3
73.06549	3.2
77.03941	2.3
79.05496	100.0
81.03420	12.7
81.07062	56.2
83.04986	18.5
83.08619	8.2
85.06529	2.3
91.05486	83.3
92.19491	1.4
93.07047	79.2
95.04974	32.3
95.08612	37.8
97.06529	9.2
97.10143	3.6
97.55759	1.4
99.08119	1.7
103.05450	2.3
105.04520	4.6
105.07037	54.7
107.04944	9.5
107.08597	26.5
109.05926	1.2
109.06530	10.0
109.10148	5.4
111.08082	3.7
117.07020	13.4
119.08592	33.1
121.06508	3.3
121.10132	8.4
123.08090	10.4
127.07591	2.2
128.06226	5.5
129.07002	20.9
131.08597	5.1
133.10130	12.3
135.08035	1.7
135.11662	2.5
143.08562	13.7
145.06438	1.7
145.10143	16.5
147.08040	5.5
147.11693	44.8
147.12813	3.1
156.09380	2.4
159.11665	1.6
161.09621	6.2
161.13264	22.6
163.11221	1.9
171.11697	42.8
179.14319	5.1
181.10008	1.4
189.12732	17.2
207.13800	44.0
214.34038	1.4
225.14825	4.9
276.71991	1.5
281.17511	3.3
407.08270	1.5
469.29672	2.4
487.30566	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	15.5
61.02925	4.1
68.90746	3.9
69.03420	9.9
70.06595	4.6
71.05003	76.7
71.50777	5.7
81.03385	4.2
83.04980	5.5
85.02443	6.9
85.02913	99.2
95.04995	6.4
97.02921	4.2
109.02850	3.5
111.04446	6.0
123.04417	4.2
127.03981	4.3
128.62613	3.5
129.05496	24.3
129.06944	5.3
130.06528	6.4
132.08092	6.8
143.07292	11.0
144.08093	73.2
144.09227	4.4
147.06506	11.9
151.03905	4.4
156.08089	8.0
157.08833	6.9
158.09682	49.0
160.07582	14.3
162.09145	43.6
167.07292	4.5
168.08115	8.8
174.09103	12.3
183.16031	3.6
186.09158	52.2
204.10223	100.0
214.08557	4.7
228.10156	5.2
233.17480	3.8
254.11803	11.3
272.12802	18.2
288.12350	8.5
290.13873	68.6
306.13324	14.6
308.15097	16.9
310.04883	3.5
427.16315	8.7
452.18921	6.9
462.72079	3.4
487.21512	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89376	1.3
53.03938	2.5
54.38750	1.4
55.01872	2.5
57.03442	2.5
63.50457	1.4
68.26224	1.2
69.03433	14.0
70.06564	1.4
70.79272	3.3
71.04982	6.1
81.03419	17.6
85.02910	3.3
97.93180	1.2
99.04459	6.7
117.05431	1.8
118.06541	3.5
119.04951	1.6
123.04443	1.5
145.07617	6.1
147.09171	6.3
165.12032	1.5
173.07129	11.4
175.08672	6.6
177.05096	1.5
179.03427	11.9
191.08162	100.0
192.08467	2.4
193.04948	1.8
307.12915	34.3
325.13943	74.6
487.18076	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	487.2155
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05505	0.4
62.86717	0.4
67.05508	0.4
69.03444	0.5
69.26171	1.0
69.26589	2.7
70.06570	0.6
77.19581	0.4
85.02908	0.6
93.07053	0.5
93.96358	0.4
95.04958	0.6
95.08598	0.6
98.97565	0.5
105.07057	0.5
109.23357	0.5
121.47197	0.4
123.04427	1.0
132.28224	0.3
139.57993	0.4
152.47876	0.4
159.64211	0.4
164.17587	0.4
234.98999	0.9
247.32791	0.4
251.11346	1.4
252.97876	0.4
269.12421	1.1
276.98190	0.4
287.13852	0.5
319.00967	0.8
325.16089	2.0
443.22519	5.3
469.20441	0.4
476.57376	0.5
487.21506	100.0
488.21796	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	487.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75555	0.3
54.62678	0.4
57.03425	1.2
69.60165	0.3
69.90737	1.2
69.91149	0.6
71.04998	11.9
75.04475	0.5
83.66943	0.4
84.08133	0.5
85.02907	10.0
98.20863	0.5
111.04435	0.7
127.03883	0.4
129.05492	3.2
143.97775	0.3
146.53336	0.3
147.06567	0.7
155.15521	0.3
163.03937	0.3
177.33722	0.3
179.03404	100.0
180.03693	1.6
269.62680	0.3
332.84036	0.3
341.08713	6.8
341.32516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	2.2
56.96548	3.4
60.01048	2.2
69.03422	5.4
69.54642	16.7
75.53647	2.6
82.99839	4.9
85.02882	9.4
90.83333	2.6
91.05464	5.3
95.08525	2.5
97.02884	8.0
98.97583	5.7
101.00880	34.7
109.02900	2.6
110.97572	3.0
113.00854	7.9
115.02416	4.2
117.57172	2.3
119.01928	62.0
119.04919	4.4
121.06557	3.1
127.02434	5.2
131.01924	19.4
133.03479	4.4
137.02946	6.8
139.02367	2.9
143.01889	32.2
145.03503	20.3
147.01408	3.0
147.04420	8.7
155.01929	23.9
156.02702	5.3
156.63998	2.9
157.03496	15.0
161.02965	58.5
162.90318	2.4
167.01891	5.2
169.03496	6.4
171.04979	3.2
173.02962	31.9
175.04494	3.5
177.05554	2.5
179.01863	2.6
181.03471	4.7
183.05048	4.5
185.02956	30.3
187.04495	8.2
191.03966	4.6
197.02950	32.7
199.04575	4.9
203.02260	4.2
203.04007	30.3
205.03508	2.8
209.02863	2.6
211.00719	3.5
211.04416	3.6
213.02545	2.8
215.03979	14.7
221.03075	4.8
221.05008	25.4
223.04492	4.7
227.04024	4.8
229.05518	4.4
232.89182	2.5
233.05063	5.5
235.04491	19.9
239.03949	4.6
245.05092	28.1
247.04518	3.7
247.06763	3.5
251.03844	3.3
253.05627	11.4
257.05032	7.7
259.06604	3.2
265.05447	4.6
269.05151	7.8
271.06607	3.4
277.05597	2.7
279.09720	3.1
283.06497	3.4
287.06119	25.6
299.06149	2.6
305.07205	6.8
310.05124	3.6
313.07654	8.5
329.07361	3.1
335.08276	3.7
347.08282	5.4
355.08743	100.0
370.97717	2.7
373.04489	7.7
373.09409	3.2
377.09320	5.9
397.09744	13.8
409.09229	2.9
445.11716	5.7
487.13135	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	487.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98508	0.3
55.05507	0.8
57.03432	1.7
61.02925	0.4
65.03939	1.2
67.05499	0.9
68.99775	0.4
69.03438	0.4
69.07059	0.6
71.05000	9.5
71.51182	0.7
75.04470	0.5
79.05490	0.5
81.07056	1.2
82.75500	0.4
83.04992	0.6
85.02441	0.7
85.02913	8.8
87.04436	0.6
91.05473	0.7
93.03397	1.1
93.07038	1.0
95.04955	0.6
95.08599	0.7
105.03402	0.7
105.07050	0.6
107.08595	0.8
109.06527	0.5
109.10189	0.6
111.04434	0.8
114.10320	0.4
117.07050	0.5
119.08637	0.5
121.02878	7.0
121.10139	0.5
123.04436	6.4
129.05481	1.2
133.02827	1.1
134.85887	0.4
139.03912	0.9
145.02850	2.8
147.04405	0.8
161.02386	1.0
163.03923	26.7
165.07088	0.4
175.03926	1.2
189.01845	100.0
190.02171	1.2
193.06586	0.4
203.03404	3.3
207.02902	12.6
219.02953	1.9
221.06000	0.7
239.07106	0.5
251.13469	0.4
267.06555	2.2
279.06583	1.8
295.06033	8.7
313.07187	2.0
316.99136	0.4
323.05481	4.2
341.06586	74.7
342.06909	1.4
349.57425	0.4
353.06696	0.6
365.06195	0.4
424.54941	0.4
487.12427	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	486.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01859	1.6
55.05516	10.7
56.05033	1.9
57.03442	2.6
58.99586	19.2
59.67064	1.5
61.01139	1.8
61.71717	1.5
61.84415	1.4
65.03925	2.3
67.05509	37.6
69.03429	2.8
69.07062	5.1
69.85836	8.0
72.08130	1.8
76.02233	71.1
76.03987	2.6
78.29102	1.4
79.05505	12.0
81.07062	29.5
83.04980	1.9
83.06118	3.3
83.08633	2.1
84.04515	24.4
85.01118	1.9
86.99066	5.9
87.02719	1.9
88.02206	1.5
91.05496	7.1
93.07043	12.5
95.04980	5.1
95.08612	52.9
97.01120	1.8
97.06497	2.4
99.05566	1.9
104.22028	1.3
105.07041	11.6
107.08611	8.2
109.06534	4.3
109.10162	31.7
113.04237	2.0
114.03773	1.9
116.01681	24.6
117.07036	1.7
117.53416	1.6
119.08601	12.1
121.10191	5.4
122.10407	1.8
123.08065	5.3
129.06607	3.2
130.05025	7.6
130.06880	3.0
133.10135	4.6
134.09644	1.6
135.11739	2.4
137.09569	3.2
138.04333	1.5
142.03252	5.3
144.01152	13.1
145.06110	1.7
151.14821	21.2
161.13264	9.7
162.02216	47.3
167.05287	2.0
170.02716	3.6
179.04863	100.0
179.14326	39.4
179.15848	3.0
180.14665	1.6
187.05424	1.9
203.14470	1.6
216.06921	2.1
233.05902	17.6
236.14676	4.5
245.05954	4.0
291.06512	2.0
308.09134	14.7
308.18588	1.5
339.17316	15.2
411.19489	19.4
468.21777	3.4
486.22156	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	485.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.6
57.03420	9.8
57.07080	27.8
64.84387	2.9
67.05504	8.7
67.74596	2.7
69.07058	7.3
71.06543	7.1
71.08631	25.0
76.02955	2.5
81.07043	12.6
83.08598	7.2
85.10174	11.7
87.37108	2.7
89.06027	12.6
91.05487	7.5
93.07023	7.7
95.08611	13.5
98.98469	11.1
105.07009	5.2
107.08569	3.6
109.10157	8.0
121.06505	9.0
131.08542	4.3
133.08577	6.8
133.10075	3.4
143.08546	5.0
145.10085	3.8
155.01074	6.2
156.15808	3.0
157.10190	4.0
228.22859	3.4
313.27371	100.0
484.47305	6.9
485.27927	17.2
485.47781	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	486.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01866	2.8
55.05502	11.8
56.05029	1.3
57.03436	5.4
57.07071	2.3
58.99589	13.1
59.04996	2.6
65.03946	2.2
67.05509	51.5
68.05829	1.4
69.03423	2.3
69.07073	8.1
69.24981	11.3
70.06586	3.2
71.05004	2.5
72.08160	3.7
76.02229	65.9
76.04002	1.9
79.05498	14.9
80.05020	1.4
81.03437	2.8
81.07054	30.9
83.04982	3.3
83.06098	5.2
83.08627	4.5
84.04517	20.9
84.08150	2.3
85.01147	2.0
85.02908	3.2
85.06548	1.6
86.99036	4.1
88.02216	2.3
91.05486	9.4
91.85160	1.4
93.07045	16.6
95.04964	5.2
95.08609	65.7
97.01124	1.4
97.02911	1.3
97.06525	3.7
99.05586	1.5
105.07037	11.7
107.08582	9.7
109.06509	4.2
109.10162	46.5
113.04259	2.3
116.01678	24.1
117.07051	2.8
119.08573	19.2
121.10157	6.9
122.09771	1.2
123.04440	4.9
123.08092	6.1
126.64736	1.2
127.86327	1.4
129.06761	2.5
130.05014	7.1
130.06902	3.2
131.08612	2.0
133.10149	4.7
134.09711	6.3
135.11702	3.7
137.09647	4.5
139.03870	2.1
139.05783	1.8
142.03221	6.0
144.01154	13.4
145.06186	3.4
145.10187	1.3
148.11166	1.6
151.03920	3.0
151.14822	30.1
157.10152	2.4
161.09596	1.6
161.13269	15.9
162.02211	48.4
170.02679	2.8
178.15952	1.5
179.04863	100.0
179.14323	46.9
180.14630	1.7
187.05354	3.2
189.01834	3.6
189.09166	1.8
193.08600	1.6
194.08990	1.4
203.14330	4.5
216.06963	3.3
220.10594	3.2
233.05905	18.9
233.09502	2.2
236.14780	4.5
237.13136	3.6
245.05980	3.8
254.15775	4.1
290.17642	2.2
291.06448	2.2
300.59265	1.4
308.09195	12.8
339.17429	19.3
341.06558	2.0
357.18362	4.5
388.19739	2.1
393.18301	3.8
411.19485	16.8
468.21716	8.2
486.22565	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	485.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48412	11.0
101.68653	3.0
120.40976	3.0
126.26302	3.1
177.01018	4.1
216.98941	3.5
219.02028	6.8
232.96745	3.8
234.99973	5.8
236.03836	3.0
240.98947	7.7
244.93610	4.0
256.96756	4.8
258.97287	5.0
258.99994	35.2
260.00171	4.3
261.00153	6.9
261.03082	24.0
274.97894	6.9
275.98105	3.3
276.97577	10.7
277.01010	24.5
279.01215	3.9
282.99985	100.0
284.00101	13.4
284.99902	16.7
298.49191	3.6
298.97757	7.2
300.97726	10.1
301.01050	95.6
302.01242	17.7
303.00882	11.5
316.95636	4.3
316.98920	8.8
317.98776	3.7
318.98492	17.1
359.00247	5.7
360.00562	5.0
360.99899	12.6
385.03076	5.3
407.00089	5.5
418.96985	7.1
419.97653	3.7
425.01309	49.8
426.01447	7.0
427.00836	7.6
443.02917	82.7
444.02637	9.8
445.02029	12.4
460.99213	16.3
485.00351	32.7
485.99966	3.8
502.98373	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	485.1061
Annotation	rostratin C
Peak:m/z	Relative Intensity
56.96562	2.7
67.19326	2.2
67.83810	1.9
70.06594	1.9
71.51067	3.6
81.07067	2.6
83.08633	2.3
85.02912	2.9
98.97574	8.5
110.97575	4.6
114.09167	3.6
128.98659	3.7
161.17174	1.9
167.14258	3.0
170.99767	2.3
179.00160	3.7
181.04958	2.9
182.15393	2.7
185.32835	2.0
209.01205	2.9
219.01797	8.4
225.00719	2.0
227.02191	4.4
237.02852	10.7
333.05121	3.5
388.71451	2.2
432.50705	2.2
485.10547	100.0
486.10959	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	483.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01867	1.9
55.05507	4.3
57.07071	1.5
65.03932	1.1
67.05515	5.0
68.99788	1.6
69.03426	9.9
69.07056	3.1
69.09834	0.6
70.06602	7.9
70.95493	0.9
70.95831	1.3
71.06935	1.3
77.03909	1.3
79.05499	7.0
81.03403	2.6
81.07063	11.5
83.04976	2.4
83.08612	1.5
85.02917	1.5
91.05489	9.5
93.07053	10.7
93.07620	0.9
95.01340	0.8
95.04974	4.1
95.08051	1.3
95.08609	13.4
96.02097	0.7
97.02888	1.4
97.06535	2.1
97.10234	0.9
97.93620	0.7
103.05497	0.7
105.03416	1.4
105.07049	7.6
107.04965	3.1
107.08606	11.2
109.02860	1.6
109.06529	2.2
109.10165	4.7
111.04449	2.6
115.05416	1.2
117.07003	1.6
119.04936	7.5
119.07777	1.3
119.08579	10.2
121.06484	7.5
121.10150	8.0
121.11552	0.7
123.04435	69.5
123.08056	0.9
123.11719	3.9
124.04780	1.1
127.03965	0.8
131.04964	1.0
131.08559	1.7
133.06453	1.7
133.10138	21.4
134.10432	0.8
135.04411	2.9
135.08075	1.3
135.11702	9.6
137.02339	1.1
137.05988	4.6
137.09621	2.6
137.13261	2.7
139.03905	6.2
139.11180	2.3
141.05470	1.5
142.17035	0.7
142.39305	0.8
143.04944	1.6
145.10175	1.6
147.04422	26.8
147.08044	1.1
147.11685	2.1
148.62929	0.8
149.05966	6.3
149.09712	1.1
149.13268	6.2
151.03905	9.6
151.14842	0.8
153.05460	4.8
159.11705	1.2
161.05986	10.3
163.03928	4.2
163.07555	2.1
165.05489	100.0
166.05867	1.2
167.07025	1.7
167.40329	0.8
169.04984	0.9
173.06020	1.3
173.13214	3.8
175.07533	2.7
175.14832	11.2
177.05486	14.8
177.09117	0.7
178.05844	2.0
179.07040	10.0
187.07579	1.6
187.14789	1.3
189.05478	10.7
189.09143	1.4
191.07060	10.6
193.04948	1.1
193.08609	23.7
195.06541	2.3
201.09067	0.9
203.07031	1.0
205.08530	3.4
207.06564	14.8
217.08626	1.7
217.15878	1.1
219.10165	2.5
225.09071	1.0
229.08484	1.0
231.06401	1.0
231.10165	0.9
235.09758	1.0
243.10091	0.8
249.07672	1.7
257.11804	2.4
295.16986	2.1
299.09048	4.0
303.08643	4.7
313.14252	0.8
313.17981	21.2
317.10205	73.5
318.10571	1.6
325.10727	1.2
329.10205	2.7
331.19034	13.2
341.10141	4.5
343.11807	3.2
343.19019	1.0
345.13480	1.9
383.14917	0.8
395.48080	0.7
465.22736	6.9
465.28732	1.1
483.23416	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	483.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03942	1.6
55.01878	2.6
55.05505	5.3
57.03441	1.0
65.03936	1.3
67.05510	7.0
69.03437	9.7
69.07081	8.1
70.02568	1.8
70.02955	2.0
70.06602	11.3
71.04983	0.9
71.06941	1.3
72.08152	2.0
72.36370	0.8
79.05496	9.8
81.03430	4.1
81.07066	13.4
83.05009	2.6
83.08611	1.9
85.02898	4.2
91.05494	12.4
93.07053	14.3
95.04978	4.8
95.08616	15.7
97.02888	3.1
97.06544	4.2
97.10195	3.1
98.20827	1.0
99.04475	1.3
105.03389	1.5
105.07037	9.9
107.04951	3.1
107.08598	13.9
109.02895	2.9
109.06518	2.7
109.10172	8.0
111.04449	2.8
111.08052	1.1
114.10292	2.0
115.05429	1.6
117.07024	1.7
119.04935	9.0
119.08592	10.5
121.06535	7.2
121.10154	10.4
123.04443	72.6
123.08071	1.2
123.11697	4.7
124.04733	0.9
125.06022	1.2
125.09622	1.7
127.03898	1.9
129.07011	1.3
131.08574	2.2
133.10146	25.9
135.04459	3.7
135.08109	1.8
135.11722	13.3
137.06010	3.3
137.09656	1.6
137.13289	2.8
139.03917	9.5
139.11134	1.5
141.05498	1.4
143.04938	2.6
143.08636	1.0
145.06499	1.0
145.10153	3.9
147.04419	29.3
147.11705	4.7
149.05974	5.4
149.13284	7.8
151.03923	9.0
151.07571	1.4
153.05486	5.6
153.06630	1.0
155.08484	1.0
157.10170	1.1
159.11702	1.6
161.06006	12.1
161.13266	1.6
163.03931	4.1
163.07523	2.5
163.14789	0.9
165.05493	100.0
167.07013	2.3
169.04996	1.4
171.11752	0.9
171.70825	0.9
173.13333	2.7
175.04066	1.1
175.07585	3.6
175.14845	15.9
177.05504	17.4
178.05859	1.3
179.07040	9.0
183.54973	0.8
187.11195	1.0
187.14836	1.6
189.05481	9.3
189.09048	1.0
191.07069	8.9
193.08621	23.7
193.15956	1.5
193.31352	0.9
195.06578	3.1
203.07082	1.4
205.08588	3.2
207.06537	17.0
217.08603	1.1
217.12267	0.9
217.15988	1.2
219.10196	3.2
231.06497	1.1
231.10338	0.9
233.11569	1.0
243.10258	1.3
249.07567	2.6
257.11734	2.5
271.13284	1.1
285.22125	1.0
291.08664	1.2
295.16937	2.5
299.08997	5.1
303.08685	4.1
303.23224	3.0
313.18015	19.7
317.10217	69.0
318.10330	1.6
321.24036	1.1
329.10342	3.6
331.19052	18.6
341.10284	4.3
343.12015	2.5
345.13388	1.6
379.20700	0.9
447.21613	1.1
465.22665	6.9
465.28577	2.1
483.23874	10.9
483.30640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09143	0.9
53.03944	1.5
55.01880	1.8
55.05513	3.0
59.52956	0.9
67.05502	6.1
69.03439	10.9
69.07072	3.1
70.06601	6.5
71.09811	2.1
73.04864	0.8
79.05489	4.8
81.03426	2.2
81.07061	9.6
83.04970	2.2
83.78884	0.8
85.02882	1.4
86.09725	0.9
91.05499	8.8
93.07053	8.1
95.04965	4.4
95.08619	11.8
97.02890	1.5
97.06521	2.3
99.04456	1.4
103.09836	0.9
105.03389	1.8
105.07059	6.9
107.04945	2.1
107.08594	11.0
109.02870	1.6
109.06514	2.1
109.10201	5.2
111.04436	1.7
117.07024	1.2
119.04951	8.3
119.08587	9.0
121.06509	3.6
121.10131	4.3
123.04438	90.3
123.11700	5.3
127.03910	1.2
129.07031	1.0
131.04930	1.3
131.08595	1.4
133.06418	1.5
133.10147	19.5
135.04425	3.4
135.08058	1.9
135.11688	8.3
137.05965	3.6
137.09630	3.0
137.13261	2.7
139.03905	7.6
141.05472	1.5
143.04897	2.3
145.10178	1.1
147.04413	36.2
147.11693	2.2
149.06003	5.9
149.13239	2.2
151.03889	7.6
151.07547	2.2
153.05487	5.9
157.10204	1.3
159.04382	1.0
161.05992	13.4
161.09662	1.1
163.03925	3.8
163.07541	2.8
163.14963	0.9
165.05487	100.0
167.07118	1.2
173.05930	1.0
173.13356	2.0
175.07552	1.7
175.14828	14.1
176.77118	1.0
177.05466	16.0
178.05801	1.1
179.07066	8.6
181.05031	1.8
184.07376	3.7
189.05461	7.9
191.07045	14.2
193.05026	1.0
193.08626	5.9
193.15901	1.7
194.08923	1.0
195.06551	2.8
199.25227	0.9
203.07083	2.6
205.08653	3.1
207.06548	16.7
211.10905	1.7
215.07149	1.3
219.10208	1.5
229.08432	0.9
235.09682	1.4
243.10257	1.1
249.07527	2.2
273.07703	2.1
285.07709	1.2
299.09100	5.2
303.08636	4.3
303.22943	1.0
313.14706	1.2
313.17880	6.4
317.10217	80.3
325.10733	2.3
329.10175	6.3
331.18979	5.6
341.10074	4.4
343.11777	4.1
345.13544	1.5
392.47882	1.0
465.23141	4.7
482.80780	1.5
483.24200	7.0
483.30362	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	483.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05505	1.7
57.03434	0.5
67.05506	3.3
68.99771	0.4
69.03422	1.4
69.07089	1.9
69.99400	1.1
70.06594	4.7
71.05010	0.6
72.67172	0.3
79.05502	1.9
81.03413	1.4
81.07057	3.9
81.52502	0.4
83.04990	1.1
83.08621	0.9
85.02898	1.1
91.05489	2.6
92.31663	0.3
93.07061	3.3
95.04979	0.7
95.08617	3.4
97.02898	0.7
97.06537	2.5
97.10202	2.6
99.04468	0.8
105.07040	2.2
107.08614	2.7
109.02868	0.7
109.06509	0.7
109.10166	2.6
111.04416	0.5
112.08707	0.6
114.09136	0.4
114.10310	1.0
117.07024	0.6
119.04943	0.4
119.08617	2.0
121.06516	1.1
121.10143	1.5
123.04439	3.8
123.11720	1.2
125.09609	1.1
127.03930	1.3
127.32466	0.4
129.07082	0.5
131.08556	0.7
133.10162	1.0
135.02199	0.4
135.04366	0.4
135.11687	0.7
137.05917	0.4
139.03909	4.5
139.11234	0.5
139.94189	0.4
143.08458	0.4
143.10703	0.7
145.10147	1.4
147.04382	0.9
147.11691	1.4
149.06006	0.7
149.13277	1.0
151.03908	0.9
151.11208	0.5
159.11710	1.1
161.05957	0.6
161.13257	0.8
163.03981	2.0
163.11256	0.6
165.05544	0.6
167.07030	0.4
167.08362	0.5
173.06082	0.4
175.03963	0.4
175.07538	0.6
177.05540	0.7
177.12828	0.4
179.07072	0.9
189.09113	0.7
191.07024	2.3
193.08604	0.7
205.08504	0.4
211.09760	0.5
215.10721	0.4
217.08676	1.3
219.10188	1.2
235.09579	2.0
243.10246	0.5
303.23270	1.2
315.14557	0.5
321.16629	1.9
321.24396	0.5
416.40042	0.5
421.16531	0.9
447.28009	0.5
465.18973	1.1
465.28534	1.5
467.37839	0.4
483.22043	100.0
484.22263	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	483.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	0.7
71.21453	1.2
87.69518	0.7
91.05461	0.6
101.68950	0.6
105.07053	1.2
120.08101	2.0
120.67940	0.7
122.06009	1.0
123.04407	1.4
154.72980	0.7
185.04288	1.6
199.02058	0.7
225.12814	0.7
261.64847	0.8
285.12106	1.0
303.13205	0.9
307.11530	100.0
308.11874	1.6
321.14563	0.7
326.78366	1.0
361.07367	1.3
483.14746	40.1
484.14764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06190	2.1
53.99658	1.9
60.67118	1.9
63.02386	1.9
69.03460	2.5
71.50975	3.2
73.63902	2.0
81.03431	2.0
85.02911	4.0
86.57768	2.0
89.03916	6.4
91.05485	5.5
97.02924	3.0
98.06052	1.8
101.00888	18.5
105.03409	2.0
113.00874	6.1
117.03365	11.6
119.01937	21.8
119.04947	7.3
127.02409	2.7
128.28769	1.7
129.45874	1.8
131.01909	15.6
133.03496	2.9
143.01894	27.8
145.02859	16.4
145.03615	5.9
146.03326	1.9
146.08040	2.2
147.01436	3.3
147.04411	22.4
149.05991	3.0
155.01897	29.1
157.03439	13.3
159.01501	1.9
161.02972	23.2
167.01877	13.8
167.46255	1.9
169.03474	5.5
171.04979	2.6
173.02966	48.7
175.04527	5.4
175.11891	4.0
177.02422	6.7
177.05461	26.5
178.05829	2.5
179.02037	3.6
183.01474	4.8
183.05057	2.2
185.01326	4.3
185.02954	46.7
187.04570	8.8
191.03923	3.0
197.02977	16.5
201.02454	63.6
202.02563	2.4
203.03967	14.7
205.03624	2.6
207.06548	2.6
211.04645	3.6
213.02505	13.0
215.04019	11.5
219.03523	88.8
220.02045	2.5
220.03952	2.2
221.05135	4.5
223.04573	2.7
227.04076	10.2
231.03503	16.3
235.04535	6.6
239.03993	2.8
243.03529	3.2
245.05083	100.0
249.04558	6.0
255.03558	4.5
257.05127	6.0
258.03406	2.3
259.04605	4.8
261.04553	19.7
263.03772	2.0
263.06247	13.9
275.06192	14.4
277.05362	2.6
279.05652	4.7
285.06119	2.4
293.07355	3.1
303.05609	31.9
305.07166	10.1
309.08224	2.6
321.06705	43.2
335.08322	6.0
365.09210	7.3
403.69101	2.2
405.06830	2.9
423.07642	4.3
459.03470	2.1
483.11240	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	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24996	1.7
64.36594	1.5
66.92432	1.7
69.03439	1.6
71.50130	2.1
71.50499	1.9
81.03405	1.6
82.99875	3.3
84.08125	2.2
85.02911	3.7
97.02872	2.2
101.00888	22.9
109.02878	2.2
111.49030	1.7
113.00874	8.5
119.01917	16.2
125.00887	2.1
127.02399	4.2
127.03960	1.8
130.08638	1.5
131.01915	15.2
133.03500	2.2
137.00815	1.7
139.02406	3.6
143.01910	32.4
143.03043	2.2
145.03482	11.1
147.01469	1.8
147.04425	4.4
155.01894	27.6
155.03111	1.6
157.03470	7.1
161.02979	18.2
167.01854	14.3
169.03447	4.4
171.05049	2.2
173.02974	36.5
175.04497	3.6
175.98244	1.5
177.02480	3.1
179.01875	6.0
180.01907	1.6
182.00763	1.4
183.01491	4.3
183.05089	2.0
185.02956	45.8
186.03145	2.0
187.04520	3.6
197.02940	19.6
197.50963	1.9
201.02458	75.4
202.02655	2.0
203.04051	11.4
209.03012	1.9
213.02478	13.2
215.04010	9.1
219.03522	76.5
221.05084	3.4
225.02377	2.4
227.04077	12.9
231.03607	7.9
233.05128	2.1
237.02426	5.3
243.03554	5.2
245.05087	100.0
246.05339	4.4
249.04590	7.1
255.03519	5.0
257.05115	5.8
261.04550	16.9
263.06137	10.8
273.04416	1.8
275.06152	14.8
277.07925	2.3
279.05618	5.8
293.07150	3.1
303.05618	30.9
303.08914	2.6
304.05841	1.8
305.07132	10.1
321.06744	35.6
321.10614	4.1
335.08246	4.3
365.09341	9.0
402.76733	1.7
483.10849	7.5
483.17200	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
57.07081	70.6
67.05512	1.7
69.07083	7.4
70.63415	4.8
71.08639	55.1
73.06569	3.3
75.81673	1.4
81.07055	1.7
83.08617	3.5
85.10188	33.2
87.04485	3.1
89.06039	100.0
91.07628	1.9
96.83715	1.4
97.10198	2.4
99.11737	6.5
100.58855	1.6
104.68678	1.3
109.85490	1.2
111.11728	3.3
113.13294	6.1
113.88046	1.5
117.09132	2.9
125.13240	2.6
127.14821	4.0
130.08630	1.9
133.08615	62.1
151.09575	1.4
161.04434	1.4
177.11227	21.3
195.12314	4.5
221.13875	3.2
231.83832	1.4
239.14771	2.8
260.74216	1.5
271.26355	3.3
283.17517	27.6
315.28918	1.9
375.34973	1.5
455.65710	1.4
465.37918	21.1
466.88501	1.9
471.05933	1.6
482.40125	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66230	1.0
53.03947	1.4
55.01861	1.3
55.05503	4.3
57.03434	2.6
61.02911	3.3
63.47464	1.0
67.05511	13.0
69.03421	1.4
69.07073	6.7
70.06264	1.2
70.06602	15.5
70.17757	4.2
71.04986	2.0
77.07148	1.2
79.05496	7.0
81.07056	33.8
83.04968	4.4
83.08610	4.3
83.26395	1.0
85.02899	3.4
85.06539	3.2
91.03876	1.1
91.05478	9.9
93.07025	4.8
93.94190	1.0
95.04971	2.1
95.08620	9.0
97.06510	5.1
99.08100	2.0
103.05459	1.2
105.07031	17.3
107.04961	1.7
107.08595	8.5
109.06513	3.4
109.10162	1.4
119.08589	12.6
121.06522	1.0
121.10133	12.2
123.04398	1.5
123.08078	2.6
123.11697	16.5
123.98151	1.2
127.07526	2.3
129.06966	1.3
133.06525	2.2
133.10159	2.5
137.05991	3.9
137.13304	1.6
138.06197	1.0
141.09019	1.4
147.11691	41.7
149.05949	2.1
151.07442	1.1
157.10066	1.5
161.05930	1.9
163.03955	2.2
163.07616	1.6
165.09035	1.3
165.12753	19.7
175.11163	1.6
177.05501	10.1
183.13799	2.5
191.89536	1.2
193.08551	3.1
211.09705	6.3
229.14320	5.7
234.11063	1.2
267.15924	44.5
285.16974	100.0
286.17334	3.2
310.12930	1.1
337.10648	1.1
422.84708	1.3
462.89917	1.2
482.21774	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	482.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84096	0.5
51.68732	0.4
53.03938	0.6
53.62611	0.5
55.01848	1.0
62.04914	0.5
71.06325	1.1
77.03941	0.6
79.05501	2.7
80.48956	0.5
91.05464	3.4
93.03407	0.5
95.04973	0.7
103.05473	3.3
105.06403	0.8
105.07043	12.3
106.04287	0.5
107.04946	2.7
108.05743	0.6
109.06491	0.9
115.05450	1.0
116.40201	0.5
118.04156	4.0
119.04937	2.7
120.05745	0.8
121.06507	3.3
122.07273	1.2
123.08046	1.9
124.05221	0.8
125.05957	0.7
131.04965	1.7
132.05655	0.8
133.06493	12.7
135.04420	1.3
135.08061	2.3
137.05992	5.3
147.04414	1.4
148.05255	0.7
149.05998	4.9
150.06770	7.3
151.07532	4.3
153.09117	0.9
161.05975	1.9
163.03917	1.8
165.09123	8.9
167.07033	8.4
177.05467	4.5
178.06281	1.2
179.07016	2.3
181.08534	1.5
193.08615	51.7
195.06612	0.8
197.11768	1.0
209.08101	11.9
210.08994	0.7
211.09657	100.0
212.10150	1.6
332.85638	0.5
363.89319	0.6
364.33716	0.5
371.14832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01868	1.3
57.03415	0.7
62.65561	0.5
69.48031	0.5
71.06248	1.3
79.05123	0.6
79.05495	5.4
91.05488	5.5
93.03407	0.7
93.07026	1.1
94.04212	0.5
95.04957	0.9
96.74709	0.5
103.05476	5.2
105.04487	0.6
105.07032	16.9
106.04159	1.2
107.04955	4.0
108.05740	1.4
109.06499	1.3
115.05449	0.7
118.04161	6.1
119.04958	3.5
120.05711	0.7
121.06535	3.7
122.07293	1.5
123.04424	0.8
123.08064	1.2
124.05190	1.4
131.04906	2.2
132.05702	1.0
133.06494	19.4
134.07254	0.8
135.04401	2.0
135.08073	3.5
137.05981	5.8
146.03671	1.0
148.05209	1.0
149.05984	6.4
150.06770	12.0
151.07574	4.2
153.09117	0.5
159.04399	0.8
161.05989	2.2
163.03877	1.6
163.07541	0.9
165.09119	12.4
167.07037	11.0
177.05496	4.1
178.06270	1.5
179.07027	2.0
180.07826	0.6
180.81229	0.5
181.08586	1.4
191.07045	1.0
193.08617	53.2
194.08948	0.8
195.06502	1.2
197.11804	0.8
209.08107	11.1
211.09660	100.0
212.10065	1.5
371.14978	0.9
374.03677	0.6
391.17358	0.7
403.17361	0.9
482.23410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01874	6.8
55.38131	2.1
65.03954	4.0
67.05488	2.9
69.03443	3.5
70.06588	9.7
71.51313	3.2
75.04470	5.2
78.04711	5.3
79.05089	2.5
79.05500	11.3
81.03437	3.8
81.07074	3.9
85.02894	9.9
89.03933	3.5
89.06052	2.2
91.05486	36.0
91.83098	2.1
92.05820	5.9
93.03416	18.6
93.07087	11.7
94.03726	5.0
94.07368	3.2
95.04977	7.9
96.05279	2.7
97.06534	5.4
103.05469	22.1
104.05783	2.6
105.03358	2.7
105.07040	15.1
106.04182	43.2
107.04452	10.4
107.04977	17.4
108.04683	2.7
109.06496	2.6
115.05472	4.7
117.07018	2.9
118.04231	5.5
119.04970	15.9
121.06521	55.4
122.03647	3.5
122.06023	3.4
122.06793	17.0
123.04449	6.1
123.07131	4.5
125.05983	10.3
126.06328	3.9
127.08708	2.6
131.04929	12.5
133.06526	16.2
134.03625	7.6
135.08061	5.4
137.05980	56.9
138.06334	3.5
139.03914	3.0
139.07536	3.7
146.07184	3.0
147.04416	12.3
148.05167	5.4
149.05998	65.1
150.06335	32.3
151.06503	8.5
151.07562	26.1
153.05524	2.7
153.09125	14.6
154.06157	2.3
154.09451	6.9
155.08076	2.3
155.09767	2.8
157.06528	3.9
161.05992	55.3
161.09616	11.4
162.06735	5.3
163.03879	2.9
163.07559	34.2
165.09142	4.4
167.07059	16.0
168.07538	2.6
174.06844	3.4
175.07526	7.1
177.05492	35.9
178.05827	19.9
179.05861	10.8
181.08609	30.4
182.08983	12.8
183.09140	8.0
189.09119	29.1
191.07101	3.6
193.03246	8.2
193.08673	23.4
195.08127	3.9
207.10202	37.4
209.08105	100.0
210.08467	83.7
211.08408	53.1
212.09088	2.7
219.10194	3.8
227.10732	5.8
230.10292	3.1
253.12398	2.3
262.46378	2.5
285.11249	4.0
287.12759	17.5
311.12799	9.5
313.14502	14.5
325.14346	2.8
331.15265	18.0
343.15436	3.0
403.16953	2.2
482.20355	7.8
483.14948	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	481.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05515	11.5
57.03421	1.1
57.07077	31.5
59.04989	1.6
64.69710	0.6
65.03934	1.5
67.05505	50.0
69.07068	8.9
70.40513	0.7
71.04987	6.0
71.08632	21.8
71.51431	1.0
72.18965	0.8
74.45965	0.8
79.05501	9.9
81.07056	100.0
82.07377	1.2
83.08157	1.0
83.08622	12.7
85.06541	11.8
85.10183	12.2
87.04477	0.9
89.06041	2.7
91.05484	7.6
93.07037	2.8
95.08608	22.6
97.10184	6.6
99.11751	0.8
105.07008	3.8
105.13544	0.8
107.08584	3.7
108.63786	0.6
109.10162	14.0
110.10458	0.9
111.11739	1.3
121.10182	1.1
123.11714	16.8
128.23848	0.7
133.08566	1.2
133.10126	9.2
137.13278	1.7
146.73842	0.7
151.11188	5.3
151.14813	1.0
155.10652	0.7
169.12277	3.7
187.13297	10.8
221.22627	1.1
237.32275	0.7
239.23647	7.2
283.17581	1.7
325.16232	0.7
481.38919	74.7
482.39160	1.7
488.03824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
51.32305	1.1
53.03954	1.4
55.01876	3.6
58.41094	1.3
64.64933	1.2
69.03430	2.5
71.50262	2.1
79.15198	1.1
85.02928	1.6
91.05476	1.6
97.02877	2.0
101.32670	1.3
105.03349	1.3
107.05051	1.5
109.02895	2.4
119.04969	2.4
121.02885	1.6
123.00839	1.5
123.04436	100.0
124.04776	1.4
135.04434	3.9
137.02364	5.0
139.03925	9.4
141.01892	1.9
147.04417	9.7
149.02365	6.0
149.05971	1.7
151.03915	7.0
153.01794	1.5
161.05975	1.5
163.03900	8.2
164.61830	1.2
165.01849	35.4
165.05502	4.8
166.02321	1.4
167.07033	1.3
175.03932	1.5
177.01903	8.3
177.05464	7.2
179.03426	8.2
183.02905	14.9
191.03377	8.9
203.03464	1.9
205.01363	10.6
205.05086	8.8
207.02913	5.8
215.03546	1.6
221.04498	5.7
223.02425	12.3
233.04449	17.5
235.02391	3.3
237.03951	2.5
243.02948	2.3
249.03957	10.6
261.04001	11.4
267.04935	9.0
277.03473	8.8
279.05075	3.0
285.06119	1.3
295.04514	10.1
297.06027	18.2
313.05560	82.6
317.06470	1.5
325.05566	6.9
359.07516	2.8
411.07147	3.0
419.09705	2.1
429.08264	7.6
447.09198	18.8
450.00970	1.5
465.10098	8.7
482.13617	2.0
482.20160	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12323	0.5
53.02868	0.5
56.05038	3.5
58.44162	0.5
59.39931	0.6
60.05633	1.6
64.46526	0.5
69.03411	0.9
69.04559	0.7
70.06570	1.1
70.16248	2.2
73.64296	0.6
83.06078	2.0
84.04481	0.8
84.79053	0.5
85.02887	1.4
85.03968	0.6
95.06094	1.0
105.05745	0.7
106.06567	1.1
111.05586	5.5
113.07155	3.0
115.08672	0.6
120.04448	2.1
123.05533	0.7
126.06609	2.2
132.04448	9.9
132.08153	0.7
134.05966	2.7
136.36227	0.6
140.08139	1.8
150.05476	2.9
151.06154	4.3
165.06598	0.9
176.07065	0.7
187.08655	3.3
189.06543	0.8
202.09758	3.2
203.08212	1.1
216.11339	1.3
230.09276	2.9
231.07660	18.4
232.10823	1.4
233.09084	0.9
233.14014	6.3
234.12306	0.9
242.09258	1.5
246.08755	0.9
257.10309	2.8
259.11914	20.8
260.10269	1.4
277.12973	79.1
278.13266	2.1
284.11441	6.0
301.14059	2.7
302.12488	40.5
319.15152	100.0
320.15482	2.0
481.20450	47.1
482.20743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01868	5.0
55.05493	6.2
57.03428	10.1
67.05498	13.8
69.03431	20.2
69.07058	17.8
69.29151	9.0
69.29546	36.5
70.06570	12.4
71.05014	21.2
76.35872	4.1
79.05476	14.5
81.07066	100.0
82.07396	5.3
83.04958	6.0
85.02914	50.3
87.04450	15.6
91.05472	10.9
93.07052	14.4
95.04989	7.4
95.08603	18.3
97.02887	23.5
97.06537	5.7
105.07020	11.4
106.04101	4.9
107.08537	5.5
108.08893	4.6
108.43185	4.2
109.06516	5.0
109.10167	7.5
110.10419	4.1
111.57928	3.9
115.03973	21.1
119.08581	6.4
121.06545	7.6
121.10131	6.0
123.04421	7.6
123.11698	17.7
125.09603	5.1
127.03915	5.4
129.05518	8.9
132.16519	4.6
133.05031	22.6
133.10129	5.4
137.05968	9.5
137.13249	19.5
149.05937	4.5
151.11183	11.5
155.76270	4.0
164.09138	5.1
164.46750	4.4
177.05516	8.2
209.08078	17.7
244.58749	4.6
247.13322	4.5
274.55966	4.7
411.36566	4.8
462.28275	6.0
480.18430	4.6
480.29263	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10379	2.2
55.01878	2.7
55.05507	3.8
57.03415	3.4
61.99426	2.4
67.05504	6.1
69.03445	2.8
69.07088	2.2
70.06589	8.6
71.50912	4.0
75.67439	1.9
79.05481	9.0
81.07058	8.4
83.04956	2.4
83.08613	3.8
85.02897	4.7
91.05482	5.9
93.07057	15.7
95.04951	3.2
95.08616	14.7
97.02883	6.1
97.06531	3.1
99.04465	3.4
105.07024	3.9
106.04196	4.0
107.04958	7.5
107.08601	13.9
119.08559	6.5
121.06512	9.2
121.10138	5.8
123.04352	2.1
125.05951	2.8
133.10129	2.2
135.11707	26.5
137.06024	3.2
145.10106	12.3
147.23163	1.9
149.06001	9.6
150.90784	2.1
153.09128	3.8
163.11183	34.4
167.07047	3.8
177.05443	8.7
181.08580	3.7
181.12198	6.4
181.13898	2.1
209.08142	19.3
227.12808	44.5
283.15433	100.0
284.15698	2.5
464.39471	2.7
480.20273	4.4
502.86591	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	480.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15647	0.3
52.81217	0.3
53.03947	2.1
55.01879	1.7
62.90930	0.4
65.03943	2.2
67.05499	0.8
71.02625	0.7
71.02958	0.4
75.04484	2.8
77.03930	0.8
78.04707	2.5
79.05473	1.8
85.02901	2.3
89.03918	1.2
89.06020	1.3
91.05487	10.9
93.03409	11.3
93.07051	5.1
95.04984	3.2
97.06546	2.2
103.05472	4.8
105.03404	0.6
105.04508	1.0
105.07047	0.8
106.04177	25.5
107.04981	2.8
108.05744	0.4
109.06507	0.6
111.04406	0.6
117.03394	1.3
118.04179	0.5
119.04917	1.0
120.05720	0.4
121.06509	26.4
122.07340	0.7
123.04416	1.0
123.08114	0.7
124.05213	0.5
125.05990	6.1
131.04904	1.8
132.05701	0.4
133.06512	0.7
134.03636	4.0
135.04439	1.0
135.07973	0.4
137.05994	3.1
137.51370	0.3
138.06744	1.6
139.07581	2.1
145.02859	1.1
148.05200	1.8
149.05984	42.8
151.07547	2.0
153.05501	1.0
153.09109	12.3
154.06313	0.6
159.04430	0.5
159.85863	0.3
163.03899	1.4
163.07568	1.4
165.05464	1.0
166.06282	0.9
167.07080	4.2
177.05475	24.0
180.07780	0.7
181.08595	19.5
182.09314	1.1
191.07083	2.0
192.07797	0.6
195.06566	0.9
209.08096	100.0
210.08638	3.5
225.84012	0.4
401.16016	0.8
403.88300	0.4
473.67996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01872	5.6
55.05521	43.8
57.03436	3.5
57.07078	24.7
67.05509	54.3
69.06729	5.6
69.07072	67.5
69.69680	15.7
71.04998	21.3
71.08616	17.0
79.05504	23.7
81.06593	5.9
81.07063	100.0
83.04996	5.1
83.08629	53.9
85.10200	7.5
85.49150	3.4
88.84953	3.3
89.06026	20.5
91.01369	3.7
91.05469	11.7
93.07043	19.0
95.08615	64.9
97.06554	5.4
97.10180	46.0
99.04466	6.4
105.07020	9.3
107.04985	4.9
107.08605	20.4
109.06539	18.4
109.10175	51.2
111.11727	20.3
113.06007	4.8
117.88288	4.4
119.08605	10.9
121.10134	9.9
123.11699	29.4
125.05178	6.7
125.05999	68.1
125.13251	13.1
127.03919	19.4
131.08601	5.3
133.08589	7.4
133.10146	7.1
135.08083	5.5
135.11667	10.3
137.06000	90.8
137.13260	13.2
139.07518	12.8
145.10060	3.9
147.11688	6.0
149.05888	4.3
149.13202	5.2
151.07542	10.3
151.14822	6.9
159.11691	6.5
163.14879	5.3
165.05528	3.9
165.16438	4.8
167.07062	41.0
171.11694	8.8
173.13249	4.4
175.11180	4.9
177.09143	15.8
179.07097	5.1
189.12727	4.4
197.13252	4.2
201.12668	3.7
203.14407	5.0
205.12296	6.2
207.13690	4.6
213.12715	8.5
215.01234	4.3
275.40784	3.9
317.32114	10.8
335.32895	9.1
383.33298	5.1
397.34546	4.5
401.33920	4.7
425.34201	9.9
443.35202	8.2
461.36578	10.1
479.37057	16.0
480.43869	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01872	5.6
55.05521	43.8
57.03436	3.5
57.07078	24.7
67.05509	54.3
69.06729	5.6
69.07072	67.5
69.69680	15.7
71.04998	21.3
71.08616	17.0
79.05504	23.7
81.06593	5.9
81.07063	100.0
83.04996	5.1
83.08629	53.9
85.10200	7.5
85.49150	3.4
88.84953	3.3
89.06026	20.5
91.01369	3.7
91.05469	11.7
93.07043	19.0
95.08615	64.9
97.06554	5.4
97.10180	46.0
99.04466	6.4
105.07020	9.3
107.04985	4.9
107.08605	20.4
109.06539	18.4
109.10175	51.2
111.11727	20.3
113.06007	4.8
117.88288	4.4
119.08605	10.9
121.10134	9.9
123.11699	29.4
125.05178	6.7
125.05999	68.1
125.13251	13.1
127.03919	19.4
131.08601	5.3
133.08589	7.4
133.10146	7.1
135.08083	5.5
135.11667	10.3
137.06000	90.8
137.13260	13.2
139.07518	12.8
145.10060	3.9
147.11688	6.0
149.05888	4.3
149.13202	5.2
151.07542	10.3
151.14822	6.9
159.11691	6.5
163.14879	5.3
165.05528	3.9
165.16438	4.8
167.07062	41.0
171.11694	8.8
173.13249	4.4
175.11180	4.9
177.09143	15.8
179.07097	5.1
189.12727	4.4
197.13252	4.2
201.12668	3.7
203.14407	5.0
205.12296	6.2
207.13690	4.6
213.12715	8.5
215.01234	4.3
275.40784	3.9
317.32114	10.8
335.32895	9.1
383.33298	5.1
397.34546	4.5
401.33920	4.7
425.34201	9.9
443.35202	8.2
461.36578	10.1
479.37057	16.0
480.43869	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
55.01875	6.9
55.05517	26.1
57.03439	12.7
65.03945	7.1
67.05511	76.4
69.03431	3.6
69.07076	21.8
69.38223	18.1
71.04995	7.2
79.05070	4.2
79.05502	61.3
81.02989	3.7
81.03428	45.2
81.07065	100.0
83.04977	16.8
83.08627	25.4
85.02917	20.0
85.06536	5.8
91.05486	51.8
93.07049	60.3
95.04980	27.3
95.08617	27.7
97.06528	12.5
97.10201	4.2
99.08090	3.5
105.04558	2.7
105.07045	29.5
106.07364	2.0
107.04963	6.6
107.08597	31.7
109.06553	7.9
109.10144	6.4
111.04445	3.1
111.08062	12.3
115.05525	2.9
117.07044	14.4
119.08575	20.1
121.06520	4.1
121.10144	24.9
123.08080	5.6
123.11678	4.9
125.09682	5.0
127.07577	2.1
129.07036	11.6
131.08569	19.1
133.10149	15.0
134.68033	1.9
135.08058	3.8
135.11722	9.5
143.08510	2.3
145.10155	5.9
147.08049	3.5
147.11708	19.8
149.09645	4.3
149.13283	26.5
151.11163	2.3
155.08652	1.8
157.10133	10.6
159.11707	11.9
163.11244	2.7
165.12769	5.7
175.11133	11.1
177.12802	6.6
189.11343	2.1
189.12952	2.1
193.12270	40.8
195.13908	7.4
211.13290	40.4
227.12776	2.9
243.15977	2.2
267.15881	7.1
269.17593	3.8
352.14328	2.0
369.24146	4.8
380.30893	2.1
387.25131	6.9
443.27695	3.0
461.28757	11.6
479.30087	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01874	2.9
55.05277	1.3
55.05515	18.6
56.63124	1.0
57.03428	4.9
57.07070	3.8
62.06080	3.8
63.69397	1.0
65.03930	3.0
67.05510	58.8
69.07070	22.0
71.04996	4.5
73.06550	1.4
79.05499	39.7
81.03423	3.0
81.07060	100.0
82.07392	2.4
83.04987	9.0
83.08623	12.9
85.02940	1.6
85.06564	5.8
91.05485	32.2
93.07050	46.3
94.07323	1.4
95.04955	5.8
95.08609	27.8
96.08960	1.6
97.06544	9.1
97.10173	2.3
98.21475	2.1
98.98464	1.6
99.04480	1.4
99.08087	3.3
105.04539	1.4
105.07043	28.7
106.07383	1.1
107.05030	1.0
107.08595	24.8
109.06512	3.6
109.10153	3.7
111.08120	4.9
111.58939	1.0
113.06051	1.3
113.09734	1.2
117.06985	5.1
119.08594	21.3
119.99641	1.0
121.06541	1.1
121.10148	23.9
123.08086	3.3
123.11718	23.5
125.09644	1.7
127.07553	2.6
129.07005	2.1
131.08574	7.2
133.10123	8.0
135.11681	3.4
137.13203	1.3
145.10127	1.5
147.11693	49.9
149.09683	1.8
149.12164	2.0
149.13269	16.9
151.11215	1.2
157.10136	1.5
159.11700	8.4
165.12755	27.3
175.11214	1.3
175.50438	1.1
177.12749	4.6
183.13788	3.0
193.12291	3.0
195.13788	8.1
211.13287	1.4
213.14883	1.8
229.14366	4.4
267.13031	1.6
267.15918	30.2
267.18607	1.9
269.17279	2.1
307.28259	1.6
337.27478	1.6
338.27731	14.3
461.29150	2.6
479.30121	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	479.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
53.16333	0.8
55.01871	3.2
55.05514	18.5
57.03432	4.4
57.07071	2.1
59.05002	0.9
62.83800	1.0
64.09846	0.9
65.03933	1.7
67.05512	55.1
69.03433	1.4
69.07079	24.4
69.07461	1.6
71.04990	3.8
79.05500	33.8
80.05807	1.2
81.03439	5.0
81.07065	100.0
83.04990	9.6
83.08628	12.1
85.02919	1.3
85.06537	6.3
90.89915	1.1
91.05492	34.6
93.07053	43.8
95.04976	8.0
95.08059	1.8
95.08618	21.3
97.06548	10.3
97.10174	2.6
98.21530	2.1
99.04447	1.2
99.08104	3.3
105.04525	1.5
105.07043	30.0
107.05006	2.3
107.08605	24.3
108.08945	1.0
109.06551	4.8
109.10168	4.4
111.08067	5.4
113.09625	1.4
115.05515	0.9
117.07021	6.1
119.08595	22.1
121.06569	1.9
121.10146	23.6
123.08071	3.0
123.11720	23.3
127.07559	2.7
129.07008	2.1
131.08595	6.0
133.10158	7.1
135.08044	2.1
135.11726	5.1
137.09744	1.0
137.13237	1.1
141.09172	1.0
143.08545	1.3
145.10156	2.2
147.11700	49.1
148.97031	0.9
149.09576	1.7
149.13255	17.8
151.11192	1.5
157.10127	2.3
159.11717	6.7
159.14079	0.9
165.12762	24.7
166.13031	1.0
175.11214	1.7
177.12781	3.7
183.13890	2.7
193.12254	4.6
194.12608	1.0
195.13811	8.9
211.13329	2.4
229.14421	4.4
267.15930	31.6
269.17426	1.7
285.16861	1.2
309.14993	1.2
369.24271	1.7
387.24881	1.4
429.43539	1.2
461.28934	3.6
479.30118	50.4
480.30475	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	479.3007
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
51.02388	1.2
53.03947	3.5
55.01877	2.9
55.05516	20.1
57.03437	6.9
57.07073	1.3
59.05005	1.0
62.20191	0.9
65.03944	2.3
67.05508	58.1
69.07072	19.4
69.85783	5.1
71.04993	5.2
71.45451	1.1
79.05154	0.9
79.05497	36.8
81.03426	8.9
81.07061	100.0
83.04988	9.1
83.08623	17.1
85.02908	2.9
85.06551	5.8
86.07016	0.8
91.05488	30.7
91.09091	1.1
93.07050	42.0
93.07643	2.2
95.04980	8.0
95.08606	22.6
97.02929	1.0
97.06541	11.9
97.10191	1.5
98.20776	1.3
99.00799	1.6
99.08082	3.7
101.06020	1.7
103.05500	1.5
105.04559	2.1
105.07035	31.0
107.04990	1.1
107.08600	26.0
109.06542	4.9
109.10167	3.1
111.08086	6.9
113.06030	1.5
117.07048	5.9
119.08585	21.4
121.06502	3.1
121.10154	23.4
123.08098	3.7
123.11720	19.6
127.07580	2.9
129.07016	1.9
131.08559	7.7
133.10156	8.3
135.08015	1.2
135.10835	1.0
135.11652	5.1
137.09674	1.0
137.13326	1.7
141.09093	1.2
145.10210	1.0
147.11697	49.2
149.13268	23.0
149.14374	1.5
151.11214	1.0
157.10197	3.2
159.11699	7.1
164.90240	1.0
165.12756	26.4
175.11241	2.6
177.12764	4.3
183.13867	3.3
193.12263	7.2
195.13861	8.9
202.10190	0.9
211.13324	6.1
213.14935	2.3
213.18716	0.9
229.14259	4.7
267.15918	34.0
269.17490	1.9
285.17093	1.2
324.11307	1.0
338.13327	1.3
369.24677	1.1
387.25000	1.0
418.09177	1.2
461.29007	2.6
479.30176	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	479.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01871	2.4
55.05518	17.2
57.03442	4.7
57.07074	2.0
57.54665	0.9
62.83214	0.9
65.03936	3.2
67.05511	57.0
68.05833	0.9
69.03419	1.1
69.07076	21.8
71.05010	5.2
71.52234	2.1
76.29548	0.9
77.69990	0.8
79.05502	36.2
80.05834	1.3
81.03432	5.1
81.07065	100.0
83.04996	9.2
83.08624	13.1
85.02901	2.4
85.06540	4.1
88.50124	0.9
89.70853	0.9
91.05493	30.3
92.05801	0.9
93.07055	42.3
94.07397	0.9
95.04989	7.9
95.08615	25.8
97.06534	10.2
97.10200	2.5
99.08112	3.8
105.04524	1.2
105.07042	29.5
106.07396	0.9
107.04993	1.1
107.08605	24.2
109.06531	4.2
109.10166	3.0
111.08092	3.8
113.06020	1.2
114.10282	1.2
117.07032	6.6
119.08597	23.1
121.06556	1.8
121.10157	23.9
123.08074	4.1
123.11719	21.4
125.09626	1.8
127.07590	1.7
129.06990	1.8
131.08604	7.4
133.10130	8.8
135.08080	1.4
135.11717	6.0
137.09605	1.4
137.13303	2.0
145.10129	2.1
147.11707	47.4
149.09663	1.2
149.13263	20.2
149.14384	1.5
151.11212	1.4
157.10214	1.2
159.11723	6.2
163.03937	2.2
163.11299	1.1
165.12764	26.2
165.88266	0.9
169.10146	1.4
175.11140	1.3
177.12770	3.9
183.13849	3.9
193.12305	2.3
195.13815	9.4
207.06548	2.0
211.13339	2.0
213.14819	1.1
229.14403	3.2
240.60370	1.0
267.15952	30.4
268.16339	1.1
269.17554	1.4
461.28870	2.9
479.30042	48.1
480.33081	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.73075	0.2
55.01833	0.2
61.43486	0.2
71.51566	0.4
72.08141	0.3
79.05474	0.3
81.07027	0.3
85.02885	0.5
89.06000	0.3
91.05433	0.5
93.03385	0.2
93.07052	0.4
95.04960	0.3
95.08594	0.4
97.02869	0.3
105.07032	0.4
107.08578	0.3
108.04417	0.3
109.02876	0.3
110.03654	0.2
114.10297	0.4
119.04925	0.3
121.02739	0.2
123.04392	0.4
137.02309	0.6
137.05977	0.3
139.03899	0.3
147.04439	0.3
153.01807	0.7
161.05954	0.3
167.06967	0.4
173.13185	0.2
177.05440	0.5
180.97557	0.2
189.05493	0.6
200.04697	0.3
203.03384	0.3
204.04095	0.3
209.08118	0.3
219.13826	0.2
228.04164	1.3
229.04884	0.5
245.04552	0.4
256.03552	0.3
257.04535	0.4
273.03824	0.5
274.04730	13.9
283.02322	0.2
285.04080	0.4
301.03442	4.6
302.04214	38.2
303.04520	0.7
317.06561	100.0
318.06927	1.9
327.15668	0.3
447.07571	0.3
479.11816	1.2
479.19452	0.6
479.26340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03947	0.7
54.21326	0.4
54.40613	0.4
55.01867	0.8
55.05520	0.7
57.03428	1.5
61.02916	1.7
62.06082	0.5
65.03957	0.6
67.05502	0.9
69.03435	3.5
69.07065	0.5
70.06593	0.4
71.04998	5.1
71.51359	0.6
73.02912	0.8
81.03405	2.3
81.07054	0.8
83.04995	0.6
84.08131	0.6
85.02911	14.3
86.81018	0.4
87.04452	0.4
91.03929	0.7
91.05479	1.2
92.02642	1.1
93.03392	1.3
93.07027	1.1
95.04953	0.9
95.08614	1.5
97.02382	0.4
97.02915	4.1
99.04446	0.5
104.86310	0.4
105.07026	0.7
107.04936	0.7
107.08583	0.9
109.02876	1.5
109.06516	0.4
109.10133	0.4
109.62011	0.4
110.39922	0.4
111.08118	0.5
114.10346	0.4
119.04894	0.4
121.02872	1.3
121.06481	1.0
122.09642	0.4
123.04430	1.3
124.07617	0.4
127.03952	2.0
129.05473	0.5
131.04936	0.8
137.05984	1.8
139.03941	1.1
143.10677	0.9
145.04964	1.2
147.04384	0.5
149.05992	1.3
151.03908	1.2
151.07539	1.1
153.00586	0.5
153.01834	8.6
153.03027	0.8
161.06050	0.8
163.07584	0.5
165.01854	0.7
165.05473	0.4
167.07106	2.1
175.07562	0.5
175.14766	0.4
176.03470	0.4
177.05502	0.8
189.05531	0.5
189.09030	0.6
191.06969	0.6
200.12802	5.1
201.05463	1.0
201.13124	2.9
203.03348	0.7
209.08035	1.2
217.05058	0.9
218.05843	0.5
219.02777	0.4
223.07610	0.7
228.04161	1.1
229.04970	3.4
231.02917	0.7
245.04515	1.3
246.05197	0.9
256.03802	0.5
257.04422	2.6
260.03195	0.5
273.03915	1.5
274.04688	3.9
275.64111	0.4
285.03928	3.4
287.05585	0.6
297.11267	0.5
301.03592	0.7
302.04224	14.2
315.04886	1.0
317.06577	100.0
318.06937	2.4
327.16177	0.6
333.06073	2.9
461.25833	0.4
479.21179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18106	1.1
53.03913	1.3
55.01870	1.3
57.03449	6.0
61.02925	7.0
67.82204	1.0
69.03429	13.9
69.49921	1.1
70.95103	3.2
71.01363	1.6
71.04996	2.2
73.02917	6.2
81.03411	5.9
81.04673	1.3
81.53574	1.2
83.01328	1.5
85.02911	100.0
87.04478	2.6
91.03955	5.2
95.01337	22.5
97.02898	28.0
99.00809	2.8
99.04466	2.8
103.03935	4.2
105.07036	4.8
107.41785	1.1
109.02882	6.2
113.02373	4.2
127.03934	28.3
131.03432	1.2
141.01837	72.6
141.43059	1.2
145.04968	59.7
159.02901	16.4
163.06030	31.3
177.03952	3.2
180.08734	1.4
193.66231	1.1
194.31067	1.1
285.06271	1.2
321.08307	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	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01864	2.7
57.03443	4.5
58.53403	0.7
61.02928	8.6
69.03433	14.0
70.88898	1.5
70.89240	1.2
71.01350	0.9
71.04995	2.5
73.02917	4.6
81.03416	4.7
83.01325	1.2
85.02910	100.0
87.04476	1.4
91.03949	5.5
95.01335	24.3
97.02896	27.8
99.00828	2.7
99.04436	4.4
101.02388	1.9
103.03934	4.3
105.07044	5.4
109.02878	7.1
113.02377	4.2
115.03900	1.3
123.00794	1.2
127.03926	30.9
131.03395	2.3
141.01833	76.5
142.02193	1.2
145.04962	65.5
151.83450	0.8
154.05025	5.6
155.43488	0.8
159.01703	0.5
159.02882	16.1
163.06035	32.7
177.03975	3.5
196.04491	0.7
199.54727	0.9
280.08340	1.2
285.06100	1.8
285.13480	0.9
303.07388	1.0
321.08191	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	477.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05513	14.1
57.07078	31.9
67.05511	11.0
69.03416	1.3
69.07075	21.7
69.94131	0.8
71.08634	24.8
71.25187	1.2
79.05502	7.7
81.07061	20.9
83.04993	1.5
83.08624	13.1
85.06558	1.0
85.10185	13.8
91.05481	4.2
93.07048	7.5
95.04958	1.3
95.08611	16.6
97.02933	1.5
97.06530	3.6
97.10167	9.9
99.04479	4.5
99.05220	0.8
99.08092	1.0
99.11761	1.8
105.07040	8.5
105.89999	0.9
107.04977	1.5
107.08568	7.3
109.06528	12.5
109.10150	8.9
111.08099	2.4
111.11700	5.4
113.08293	0.8
113.13327	1.0
119.08591	3.5
121.06506	2.6
121.10134	5.4
123.08073	11.8
123.11708	3.6
125.06004	15.8
125.06860	1.2
125.09636	1.6
125.13242	1.4
127.07560	33.5
131.08598	2.0
133.10135	2.8
135.08052	2.7
135.11676	1.6
137.06007	3.6
137.09634	2.7
139.07545	100.0
145.10115	1.5
147.11699	3.5
149.05968	4.8
149.09648	3.1
149.13248	1.0
150.11618	0.9
151.07518	7.4
151.11140	1.1
153.09192	1.4
155.92931	0.9
159.11662	1.4
161.09644	1.5
161.13184	1.7
163.07608	2.2
163.11174	1.5
163.14862	1.3
165.09122	2.7
167.07065	5.2
173.09683	1.3
175.11279	1.8
175.14848	2.0
177.09137	11.2
177.12703	0.8
179.10635	1.6
189.12737	1.7
189.16412	1.0
191.10695	2.1
192.35800	1.0
193.05762	0.9
193.12271	1.9
203.14362	1.7
245.18806	0.9
265.77319	0.9
301.28897	5.1
316.00827	0.8
319.29971	10.8
347.33105	19.0
373.31189	5.0
377.18076	1.0
385.34637	1.2
389.37790	2.3
399.36356	2.5
403.36142	2.2
417.37286	17.5
418.37619	1.3
427.35950	1.8
445.36841	29.2
446.37329	1.1
459.38528	1.9
477.34177	1.8
477.39456	49.4
478.39630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.8
57.03448	1.1
57.07080	26.9
65.03963	1.6
67.05504	9.4
69.06727	1.7
69.07076	21.7
69.07458	1.2
71.08640	22.8
71.16221	2.0
72.16806	0.8
77.63042	0.8
79.05492	7.1
81.07064	20.8
83.08633	13.8
85.10186	14.5
91.05497	4.6
93.07057	8.4
95.04986	1.3
95.08612	18.3
97.02895	1.1
97.06517	2.1
97.10168	7.7
99.04453	5.3
105.07028	8.7
107.08598	6.3
109.06538	12.5
109.10159	7.1
111.08121	2.1
111.11720	4.3
119.08604	4.0
121.06548	1.6
121.10144	3.8
123.08071	11.8
123.11733	3.9
125.06004	16.2
125.13281	1.4
127.07568	37.8
131.08582	2.0
133.10149	2.8
135.08063	2.3
135.11737	2.1
137.05989	2.6
137.09628	2.8
137.13284	1.0
139.07552	100.0
145.10141	2.3
147.11697	3.1
149.06023	4.6
149.09654	2.5
151.07555	8.6
151.11127	1.7
153.09085	1.4
161.09531	1.1
161.13315	1.7
163.07625	2.1
165.09134	2.2
167.07062	4.6
169.08727	1.4
175.11215	2.1
175.14920	1.4
177.09120	11.3
189.12672	1.5
191.10638	1.2
193.12207	1.4
203.14342	1.6
205.12309	1.0
221.11739	1.3
249.14850	1.4
263.02905	1.0
275.20047	1.1
275.24033	1.1
301.28976	3.1
319.29941	10.0
347.33087	14.3
354.26932	0.9
373.30997	5.7
375.36438	1.1
389.37527	1.6
399.36478	2.3
403.35770	2.2
417.37238	15.1
427.35812	2.3
445.36823	29.8
446.37051	1.5
459.38885	1.3
477.39487	48.6
478.39551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.4
55.01871	15.9
55.05513	61.2
55.69653	2.6
57.03434	7.3
63.28268	2.2
65.03938	4.7
67.05505	56.7
69.03417	8.4
69.07064	16.4
70.83014	7.1
71.04995	7.5
75.57399	2.0
76.46514	2.1
79.05494	65.1
81.03419	18.6
81.07055	44.9
83.04970	11.5
83.08617	31.6
85.06570	2.3
87.41488	2.7
89.43764	2.0
91.05484	36.0
93.07053	31.9
93.41588	2.2
95.04962	27.2
95.08617	22.4
97.06522	7.8
97.10172	62.1
99.96670	2.3
103.05458	3.6
104.99410	2.2
105.07034	28.8
105.12186	2.1
106.60490	2.0
107.04964	39.7
107.08599	34.3
109.02831	2.2
109.06529	9.8
109.10172	13.3
111.04431	3.2
111.08071	5.0
115.05455	6.2
117.07034	17.4
119.04927	5.7
119.08601	17.2
121.06518	34.0
121.10145	8.4
123.04453	5.5
123.08073	9.8
123.11691	3.1
125.06010	3.7
125.09633	40.1
128.06233	3.3
129.07021	16.1
131.04935	5.2
131.08595	18.2
133.06480	15.0
133.10138	9.0
135.04449	3.4
135.08061	15.5
135.11670	3.2
141.06978	6.2
143.07149	2.2
143.08553	11.7
143.10674	2.5
145.06487	21.9
145.10150	12.1
147.04448	4.3
147.08084	12.2
147.11681	8.6
149.05975	3.5
149.09628	6.5
153.09091	9.7
153.12691	4.7
155.08539	8.8
157.06490	6.8
157.10135	7.8
159.08107	6.2
159.11691	5.4
161.05998	3.8
161.09651	7.3
163.11201	4.7
165.12758	3.1
167.08578	3.6
169.10147	6.0
171.08058	5.7
171.10242	5.0
171.11705	7.2
173.09650	6.2
175.07610	2.7
175.11198	6.5
185.09700	3.5
185.13277	5.3
187.11163	5.2
187.14824	3.4
189.09503	3.9
189.11229	27.0
189.12811	6.9
193.12225	14.8
195.11690	5.0
197.13327	5.8
199.11241	6.8
201.12730	2.6
203.14343	2.3
205.12364	4.7
209.13368	3.9
211.11354	3.2
211.13214	3.1
213.12779	4.9
215.14395	10.9
217.12308	5.4
219.13855	4.7
223.13170	4.6
225.12750	2.9
227.12784	8.3
227.14688	3.1
233.15347	17.0
237.12659	4.3
241.12242	3.8
241.14447	8.2
243.14034	3.6
245.15514	2.8
249.14748	3.4
255.13853	8.0
257.15384	2.3
259.13348	2.5
267.15775	4.3
271.16626	3.1
273.14871	23.8
287.16571	4.4
291.15921	5.0
302.23547	2.2
311.19894	2.6
326.32346	2.5
331.20627	3.1
339.23013	10.3
349.21530	21.6
353.92062	2.3
357.24323	11.4
361.98819	2.3
367.18387	4.2
367.22745	60.9
375.25345	2.8
378.90662	2.5
385.23743	100.0
386.24158	5.9
403.24780	27.4
426.76288	2.5
433.25867	2.5
441.26135	6.6
459.27386	66.4
460.27826	5.1
477.28531	42.7
489.94052	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53878	3.0
55.01881	17.6
55.05515	62.4
57.03437	10.1
59.04993	3.4
61.46973	3.6
67.05180	5.2
67.05510	77.0
69.03433	12.0
69.07064	19.7
70.72105	10.2
71.04993	6.6
74.89857	3.9
79.05499	79.3
81.03418	52.6
81.07058	75.6
83.04977	15.4
83.08620	38.4
85.02916	4.1
87.98499	3.9
91.05485	50.5
93.07053	52.2
95.04980	33.1
95.08598	29.5
97.06549	10.0
97.10176	44.4
105.07044	39.2
107.04977	35.9
107.08595	35.2
109.06535	17.6
109.10172	16.4
111.04444	4.5
111.08083	9.7
115.05466	5.6
117.07001	22.8
119.04923	5.2
119.08571	32.2
121.06505	37.8
121.10170	21.6
123.04431	5.7
123.08072	13.9
123.11757	3.7
125.09637	36.9
128.06253	7.5
129.07018	24.9
131.04965	5.4
131.08589	27.8
133.06506	12.7
133.10170	18.8
135.08093	18.3
135.11687	12.6
137.09673	6.0
141.07025	7.5
143.08589	11.8
145.06493	19.4
145.10130	23.6
147.08072	16.8
147.11707	14.4
148.71375	4.5
149.09612	6.0
153.09125	8.1
153.12706	3.5
155.08623	6.0
157.10133	15.5
159.08081	8.0
159.11710	8.8
161.09627	6.2
163.11234	12.0
165.12823	6.3
169.10106	5.3
171.08003	5.6
171.10185	9.7
171.11684	11.0
173.09657	5.9
173.13245	6.1
175.11186	7.6
175.57162	4.3
177.12779	6.5
178.05649	3.3
183.08031	5.2
183.11760	4.8
185.13145	4.6
187.11307	5.1
189.09630	3.6
189.11227	23.9
189.12689	5.4
193.12233	32.6
195.11647	3.2
197.13342	3.9
199.11136	8.0
211.13210	5.9
215.14404	6.5
219.13878	3.3
225.12709	4.5
227.12665	21.5
231.13708	4.8
233.15419	20.4
237.12839	5.2
241.14397	6.0
245.15366	5.2
255.13855	5.3
267.15942	22.6
273.14893	16.2
287.16388	3.7
291.16013	4.2
339.23129	7.6
341.20917	6.6
349.21652	18.2
357.24243	14.6
367.22726	45.2
385.23767	86.6
386.24356	4.1
403.24857	26.6
412.45389	3.5
415.24719	5.1
433.25864	10.2
441.26163	10.4
459.27448	100.0
477.28519	79.0
478.16815	3.8
478.29294	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.7
55.05510	49.5
57.03437	8.0
61.09578	2.7
65.03943	5.0
66.62367	2.6
67.05506	69.3
67.39563	2.8
67.92910	2.6
69.03418	8.1
69.07063	20.4
69.10911	2.7
70.61510	2.7
71.04984	8.6
71.06551	6.6
71.06924	3.6
79.05495	72.8
80.14213	2.5
80.15133	3.1
81.02988	4.8
81.03419	58.4
81.07057	73.3
83.04988	20.8
83.08625	38.1
84.68198	3.0
85.02898	8.7
85.06515	3.4
90.34830	3.3
91.05481	60.5
93.07038	45.9
95.04967	38.3
95.08617	25.8
97.02916	2.8
97.06531	12.0
97.10169	32.4
103.05492	3.2
105.07029	40.0
107.04950	26.7
107.08597	35.9
109.06528	11.8
109.10170	20.5
109.48476	2.8
111.04460	4.9
111.08080	12.1
115.05492	5.0
117.07033	23.4
119.04987	3.4
119.08580	32.2
121.06522	23.3
121.10165	15.7
123.08047	7.0
123.11705	5.3
125.05980	3.9
125.09644	23.7
128.06282	4.7
129.07010	19.6
131.08591	22.4
133.06505	6.7
133.10141	22.6
135.08067	11.6
135.11739	9.2
137.09631	3.7
139.11203	2.7
141.06998	5.1
143.08568	7.3
145.06514	12.7
145.10081	13.7
147.08047	12.5
147.10680	3.1
147.11691	15.9
149.09634	13.0
149.13266	7.4
153.09178	6.7
155.08542	4.6
157.06592	5.9
157.10080	16.1
159.08057	6.6
159.11707	4.1
161.09653	5.8
163.11229	15.2
165.12811	4.7
171.08096	3.8
171.11687	6.1
173.09660	5.7
175.11188	8.1
177.12706	3.1
185.13225	3.2
189.11249	19.0
189.12755	5.3
191.10637	4.4
193.12253	37.2
195.13768	4.5
199.11256	6.1
205.12209	4.8
209.11800	5.3
211.13312	11.7
215.14230	3.8
227.12633	14.6
229.45930	3.1
233.15353	16.6
235.13229	3.5
241.14302	3.5
243.14009	3.1
267.16122	14.5
273.14941	11.9
287.16476	4.6
323.54523	3.1
339.23221	7.2
345.44717	3.1
349.21509	14.2
357.24252	12.3
362.94370	3.2
367.22733	42.4
385.23679	62.5
403.24628	21.3
441.26266	9.1
459.27429	53.2
477.28531	100.0
478.28824	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	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.9
55.01851	5.0
55.05514	25.0
57.03419	6.2
57.07073	2.3
65.03916	6.5
67.05508	95.0
69.07072	22.6
71.04971	5.8
71.52056	2.6
73.06548	2.1
79.05495	95.6
81.03421	13.1
81.07062	100.0
83.04991	16.8
83.08625	17.4
85.06510	5.6
91.05488	78.8
93.07050	94.9
95.04457	2.1
95.04968	21.2
95.08613	38.4
97.02897	1.8
97.06533	11.6
97.10139	4.8
99.08078	2.6
105.04498	4.7
105.07031	46.8
107.04929	7.6
107.08593	35.7
109.06533	8.7
109.10119	8.1
111.08069	10.1
115.05453	1.9
117.07030	15.5
117.38117	1.6
119.08586	25.5
121.06485	5.9
121.10146	14.7
123.08044	5.3
123.11679	3.4
125.99451	1.7
129.07014	16.1
131.08582	11.5
133.09274	1.7
133.10146	18.4
135.07974	3.5
135.11676	8.0
139.11147	1.9
143.08554	12.0
145.10114	12.2
147.08112	4.3
147.11691	37.4
149.13268	21.3
157.10074	2.4
159.11667	12.9
161.09625	4.2
161.13254	14.7
171.11697	26.6
177.12790	3.9
189.12799	10.4
195.13736	7.2
207.13811	27.2
225.14742	3.9
275.85773	1.8
475.30457	68.7
494.19925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03944	9.4
55.01865	5.2
55.05514	31.9
57.03428	5.2
57.07061	3.5
59.31034	1.2
65.03938	5.6
67.05508	96.0
67.47650	1.3
69.06734	1.8
69.07076	28.8
71.01363	1.2
71.04984	5.5
73.06539	2.0
77.03922	2.0
79.05498	96.9
81.03432	7.9
81.07063	96.0
83.04993	14.9
83.08624	15.2
85.02940	1.5
85.06531	5.5
91.05486	72.5
93.07048	100.0
95.04971	22.4
95.08615	33.1
97.06533	13.7
97.10184	3.7
98.20805	3.7
99.08086	2.5
103.05484	1.5
105.04533	3.4
105.07034	42.6
107.04948	6.5
107.08600	38.8
109.06516	7.3
109.10146	5.6
111.08067	6.9
115.05470	2.1
117.07021	16.1
119.08582	23.4
121.06519	3.8
121.10159	18.6
123.08068	6.6
123.11668	1.7
125.09686	1.4
127.07581	2.4
128.06210	3.3
129.07022	14.4
131.08574	11.4
133.06429	1.3
133.10139	14.4
135.11687	7.9
143.08578	8.9
145.10155	8.9
147.08075	1.7
147.11694	35.2
149.13271	25.7
159.11720	10.6
161.09662	4.3
161.13264	13.2
171.11696	27.4
177.12807	4.2
189.12740	11.4
194.31274	1.2
195.13747	7.0
203.57750	1.3
207.13806	31.3
225.14941	3.0
268.63565	1.7
270.61966	1.3
440.88223	1.4
457.29355	3.1
475.30597	73.9
476.31186	2.9
476.43353	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.3
52.24527	1.2
53.03963	8.4
55.01873	4.1
55.05269	2.0
55.05515	25.6
57.03432	5.6
57.07078	1.3
62.89416	1.3
63.41704	1.2
65.03940	3.3
67.05510	89.7
69.07077	23.1
71.04977	5.7
73.06559	2.8
77.03941	2.8
79.05500	100.0
81.03438	11.5
81.07062	91.6
83.04988	16.7
83.08627	16.0
85.02905	2.2
85.06535	4.0
91.04915	2.4
91.05489	67.5
93.07051	92.8
95.04978	21.1
95.08614	32.6
96.63762	1.3
97.06540	12.5
97.10181	3.6
98.21527	2.8
99.08096	2.8
105.04513	3.8
105.07043	46.2
106.47451	1.4
107.04958	6.1
107.08603	35.3
109.06528	7.1
109.10142	7.5
111.08099	4.7
111.11732	1.4
115.00370	1.4
115.05451	2.8
116.27595	1.2
117.07024	16.2
119.08591	21.0
121.06522	4.6
121.10153	15.6
123.08083	7.1
123.11713	1.8
127.07584	1.4
128.06219	2.8
129.07034	14.6
131.08551	10.1
132.10661	1.3
133.10132	15.9
135.08061	2.8
135.11708	8.2
143.08565	7.6
145.10164	8.5
147.08064	2.2
147.11700	32.0
149.13268	25.1
159.11688	10.8
161.09631	5.1
161.13252	11.1
169.70757	1.3
171.11708	26.2
177.12793	5.5
189.12755	11.6
195.13850	7.5
207.13792	30.4
225.14821	1.8
256.80988	1.6
269.17648	1.8
457.29703	2.0
475.30621	73.8
476.31033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	12.6
55.01869	4.9
55.05513	29.9
57.03425	6.4
57.07071	2.7
61.46088	1.4
65.03932	4.6
65.57487	1.6
67.05510	95.9
69.03419	1.5
69.07072	25.1
71.04984	5.3
73.06533	1.6
73.50652	1.5
77.03937	2.3
79.05498	94.0
81.03439	9.7
81.07061	100.0
83.04988	16.3
83.08624	15.1
85.06555	6.1
91.04901	2.7
91.05487	62.4
93.07050	89.5
93.18472	1.5
95.04978	22.2
95.08614	37.0
97.06542	12.1
97.10197	4.8
99.08092	2.3
103.05499	1.5
105.04511	4.7
105.07040	38.9
107.04946	7.5
107.08604	40.4
109.06535	6.5
109.10143	4.7
111.08073	6.4
113.09631	1.7
117.07037	15.8
119.08595	22.2
121.06516	4.5
121.10156	17.2
123.08063	6.1
123.11729	2.8
128.06230	3.4
129.07016	14.0
131.08569	11.6
133.10164	12.8
135.11716	8.5
141.09103	2.3
143.08580	6.7
145.10115	9.0
147.08081	3.4
147.11700	36.5
149.13278	25.6
152.51953	1.6
159.11676	11.3
161.09642	3.2
161.13280	12.2
162.82823	1.4
171.11687	24.8
177.12747	6.2
189.12770	10.2
195.13855	7.3
198.28682	1.6
207.13811	27.0
225.14903	4.1
317.04630	2.0
327.61118	1.6
341.64301	1.4
475.30588	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03952	11.8
55.01878	6.2
55.05514	25.0
57.03434	5.4
57.07077	2.1
60.41790	1.3
65.03951	6.6
67.05511	99.3
69.03419	2.2
69.07073	27.0
70.16284	5.0
71.04999	4.5
73.06558	2.3
77.03946	3.8
79.05498	100.0
80.05862	1.6
81.03426	11.8
81.07060	96.4
83.04990	15.3
83.08630	16.7
85.06557	4.0
86.48321	1.5
88.86238	1.2
91.05491	68.4
91.49611	1.1
93.07051	98.4
94.07388	1.7
95.04982	21.6
95.08616	40.1
97.06535	14.6
97.10194	4.6
99.08084	3.5
103.05463	1.9
105.04518	5.6
105.07040	44.4
107.04968	8.1
107.08604	38.6
107.09318	2.6
109.06525	7.7
109.10161	7.9
111.08084	7.3
117.07034	17.2
119.08589	23.7
119.91389	1.3
121.06552	4.0
121.10164	16.8
123.08096	5.0
123.11690	1.6
127.07538	2.1
128.06204	3.1
129.07018	14.1
131.08591	12.2
133.10138	17.3
135.08073	2.5
135.11716	9.1
139.11205	1.9
143.08554	9.3
145.10115	9.9
147.08093	1.5
147.11705	32.0
149.09624	1.6
149.13269	23.9
159.11679	11.3
161.09669	4.6
161.13264	14.8
163.11270	2.3
171.11705	26.3
177.12764	3.5
189.12784	11.9
195.13872	6.0
207.13824	30.4
225.14812	2.8
227.12914	2.0
269.17676	2.1
307.59756	1.3
462.40695	1.5
466.41528	1.4
475.30661	62.8
494.04065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.0
55.01863	5.1
55.05273	1.9
55.05517	28.2
57.03441	7.9
57.07072	3.3
65.03946	8.1
67.05510	99.7
69.06730	1.7
69.07077	26.5
71.05003	5.9
73.06603	1.9
77.03919	3.1
79.05499	100.0
81.03423	10.7
81.07063	96.4
83.04987	17.7
83.08621	16.9
85.06533	5.4
91.05489	67.2
92.05758	1.5
93.07051	97.4
95.04974	21.9
95.08063	2.2
95.08617	32.4
97.06538	14.5
97.10152	2.6
98.21631	2.5
99.08113	2.7
103.05451	1.9
105.04514	3.9
105.07039	41.7
107.04964	6.0
107.08603	34.0
109.06516	7.0
109.10149	5.5
111.08093	7.2
113.06030	1.7
115.05516	1.7
117.07035	14.5
119.08584	20.7
121.06492	2.9
121.10151	15.9
123.08066	5.5
123.11682	2.6
127.07585	1.3
128.06210	3.5
129.07027	13.6
131.08589	12.1
131.65388	1.3
133.10139	14.4
135.11673	8.0
139.11198	1.5
143.08549	7.1
145.10127	8.1
147.08026	2.6
147.11691	33.1
149.13274	27.3
157.10112	3.1
159.11714	11.8
161.09610	3.9
161.13243	10.8
171.11717	24.3
177.12735	5.4
189.12762	9.9
195.13821	10.7
207.13837	28.9
217.74306	1.3
225.14922	5.9
457.29709	1.5
475.30551	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03948	9.2
55.01874	4.9
55.05272	1.7
55.05515	27.9
57.03436	7.0
57.07055	2.6
65.03957	7.4
67.05511	90.1
69.03435	1.8
69.07076	29.2
70.76330	2.7
71.04990	5.3
75.34161	1.3
77.03931	2.5
79.05498	100.0
81.03419	12.3
81.07065	94.2
83.04993	15.4
83.08630	14.5
85.06545	4.5
91.04630	1.5
91.05486	66.8
93.07051	90.5
95.04974	22.6
95.08614	38.1
97.06537	13.1
97.10170	3.9
99.08090	2.4
103.05469	1.9
105.04520	4.4
105.07034	46.8
107.04987	7.4
107.08603	44.5
109.06516	5.8
109.10163	4.9
111.08084	6.8
115.05496	2.5
117.07034	12.8
119.07812	1.8
119.08590	18.8
121.06492	3.7
121.10139	18.7
123.08073	5.3
127.07523	2.7
128.06230	4.6
129.07004	15.5
131.08568	11.3
133.10146	14.3
135.08092	3.7
135.11699	8.3
143.08578	8.2
145.10123	9.1
147.08147	2.5
147.11699	34.5
149.13280	23.9
151.11134	1.7
151.28593	1.4
155.29811	1.4
159.11699	10.6
161.09592	4.1
161.13260	11.1
171.11697	29.1
174.76993	1.6
177.12801	4.3
179.14404	2.4
189.12790	11.2
195.13811	6.1
207.13837	24.1
225.14955	2.2
235.91893	1.5
236.41626	1.3
373.31165	1.5
397.92532	1.5
456.03314	1.7
475.30536	63.7
476.30911	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	475.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32872	1.7
53.03946	7.5
55.01876	10.5
55.05516	23.8
57.03438	6.6
59.04997	2.6
65.03942	4.2
67.05511	51.3
69.03429	6.0
69.07073	12.2
69.41853	1.7
71.01362	2.5
71.05000	5.0
71.24373	2.3
71.24719	3.0
79.05499	57.1
81.03427	97.3
81.07069	35.2
83.04987	21.6
83.08627	24.8
85.02946	3.1
85.06538	2.0
91.05492	34.8
93.07058	47.3
95.04975	34.0
95.08611	34.8
97.02908	6.7
97.06534	9.9
97.10178	9.3
99.04435	2.9
103.05454	1.7
105.07040	27.7
107.04971	32.9
107.08600	34.1
109.02888	2.7
109.06514	6.0
109.10159	14.2
110.40590	2.0
111.04446	7.7
111.08102	8.8
115.05446	4.1
117.07037	16.2
119.04923	1.9
119.08585	23.0
121.02888	12.4
121.06507	10.7
121.10146	18.2
123.04471	2.2
123.08080	4.8
125.06004	3.0
125.09634	5.9
129.07027	17.8
130.07880	2.1
131.04942	3.4
131.08595	17.1
133.06534	4.9
133.10147	5.4
135.04465	5.2
135.08083	4.9
135.11696	33.0
137.06010	2.7
137.09621	3.5
141.07002	4.5
142.07774	2.2
143.08597	4.9
145.06502	4.5
145.10130	26.6
147.08086	6.7
147.11699	6.6
149.09619	7.7
153.12773	18.9
155.08623	2.9
157.10193	9.4
159.08081	2.3
159.11676	2.5
160.05321	2.2
161.05994	3.0
161.09604	2.3
163.11189	53.5
165.12836	1.9
171.11771	3.3
173.09636	4.6
173.13231	2.3
175.11208	11.0
181.12238	16.2
183.11685	4.4
185.09682	2.2
187.11211	2.2
188.82991	1.7
189.09343	2.4
189.11185	3.1
191.10699	5.5
193.12262	28.3
197.75624	2.1
201.12744	4.0
209.11740	10.2
209.13461	1.8
219.13875	6.5
227.12793	92.9
229.12317	2.6
231.13829	2.1
247.13281	28.5
249.14891	5.1
265.14410	4.9
289.14319	2.9
340.37714	1.9
365.21158	6.8
383.22305	15.1
401.23260	7.9
457.25879	11.0
461.05392	2.0
463.78497	2.3
473.27179	2.2
475.26968	100.0
476.27380	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	475.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03945	8.0
55.01883	6.2
55.05516	18.5
57.03430	4.9
65.03935	1.4
67.05181	2.1
67.05510	27.0
67.45548	1.0
67.62965	1.0
69.03425	3.2
69.07080	6.6
70.92216	1.1
71.01359	1.4
71.04993	2.7
71.24267	1.4
71.24599	1.4
79.05496	38.4
81.03426	86.5
81.07060	23.3
83.04990	11.2
83.08628	22.4
89.98737	1.1
91.05486	26.9
91.06023	2.0
92.19653	1.0
93.07053	42.5
95.04380	1.4
95.04980	26.2
95.08614	35.1
97.02897	6.6
97.06547	5.8
97.10183	3.2
98.21360	1.2
99.04472	4.3
102.98769	1.2
103.05413	1.6
105.04532	1.7
105.07033	20.3
107.04964	15.6
107.08603	29.8
109.06525	2.9
109.10170	6.4
111.04448	4.4
111.08086	6.9
115.05496	1.3
116.06225	1.4
117.07037	12.3
119.04895	1.9
119.08597	19.4
121.02901	1.3
121.06513	9.5
121.10140	14.8
123.08080	2.1
125.05988	2.7
125.09677	2.1
129.07033	12.2
130.07794	2.7
131.08572	8.6
133.06497	4.2
133.10129	5.7
135.08076	2.0
135.11703	43.8
137.09631	2.0
139.07564	1.4
145.06516	1.9
145.10138	28.7
147.04391	1.3
147.08044	4.1
147.11711	5.3
149.09647	4.4
153.12720	6.8
155.08542	1.6
157.10143	7.4
161.05975	1.5
163.11195	62.5
164.11699	1.2
165.12791	1.3
169.10271	1.8
173.09818	1.3
175.11200	5.8
181.12244	17.0
193.12248	23.8
204.87843	1.2
209.11732	4.4
227.12804	100.0
228.12981	1.5
247.13350	3.9
265.14413	1.2
286.82556	1.4
355.22772	1.5
365.21405	1.9
383.22269	5.5
401.23260	2.6
401.34137	1.2
424.42444	1.3
451.39597	1.4
455.72330	1.4
457.25836	2.9
475.26962	60.0
476.27670	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88744	1.4
53.03946	7.1
55.01878	7.3
55.05267	2.1
55.05514	24.5
57.03451	6.2
64.50701	1.1
65.03933	3.4
67.05509	42.6
69.03429	4.8
69.07064	11.0
70.16206	4.8
71.04988	4.5
73.02910	2.5
79.05499	46.6
81.03423	76.4
81.07063	33.9
83.04993	11.5
83.08620	23.1
85.02914	2.4
85.06551	2.0
91.05489	36.0
93.07049	49.4
95.04979	31.9
95.08611	40.4
97.02899	7.0
97.06523	7.2
97.10168	9.0
99.04459	3.4
103.05500	2.0
104.81725	1.4
105.04523	1.5
105.07030	28.8
107.04957	22.1
107.08602	36.4
107.09308	2.3
109.02870	3.1
109.06542	6.0
109.10155	7.8
111.04446	3.7
111.08095	7.8
117.07028	18.8
119.04937	3.0
119.08582	23.8
121.02869	3.3
121.06490	12.1
121.10140	16.7
123.04436	3.6
123.08093	4.4
125.06026	2.9
125.09647	4.6
128.06259	3.5
129.06999	13.1
130.07784	3.5
131.04996	2.1
131.08582	13.0
133.06516	5.9
133.10143	9.0
135.04436	3.3
135.08084	6.4
135.11703	45.9
137.05960	2.8
137.09636	3.7
139.03920	2.6
139.07550	1.8
141.07027	2.4
142.07841	4.0
143.08592	5.2
144.00580	1.3
145.06497	4.3
145.10136	31.2
147.04434	3.4
147.08072	5.6
147.11726	5.6
149.09624	5.3
151.07521	2.3
153.09109	2.1
153.12744	4.1
154.07846	1.3
155.08548	3.5
157.06503	1.5
157.10124	9.3
159.08080	3.6
159.11661	2.4
160.05200	2.0
161.05984	5.4
161.09650	2.7
163.07553	2.0
163.11195	62.7
165.09106	3.1
169.10104	1.4
171.08151	1.6
171.11758	2.0
173.06032	2.7
173.09669	4.6
175.07559	1.5
175.11237	8.5
181.12271	17.7
183.08032	1.3
185.09676	1.3
185.13173	1.3
189.09145	4.6
189.11250	2.4
191.10686	2.1
193.12256	24.1
201.12814	2.2
203.14325	1.5
205.12231	2.2
209.11694	6.6
212.53328	1.3
227.12798	100.0
231.13823	2.4
235.11224	1.2
243.13895	2.1
247.13345	2.6
249.14890	3.7
265.14517	2.2
269.15436	1.9
271.13202	2.8
289.14395	5.6
355.22803	2.9
365.21112	3.6
383.22266	21.4
401.23105	8.3
419.24438	3.0
431.24408	2.8
439.25085	2.2
457.25891	14.2
475.26981	79.3
476.26883	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	14.1
55.01881	18.6
55.05515	44.5
57.03434	9.0
57.07077	5.2
59.05006	2.8
60.88951	2.2
64.23058	2.3
65.03930	6.2
67.05132	2.9
67.05509	98.8
69.03407	5.4
69.07071	31.0
70.11093	7.9
71.04986	8.4
79.05499	100.0
81.03424	91.9
81.06590	4.7
81.07066	91.7
83.04987	34.5
83.08635	31.9
85.06541	5.0
91.05489	82.6
93.06484	5.1
93.07052	89.3
95.04981	46.4
95.08614	41.9
97.02898	3.2
97.06525	18.6
97.10152	16.2
99.04448	3.6
99.08128	3.2
103.05453	2.5
105.04517	3.4
105.07044	50.4
107.04988	18.4
107.08596	44.3
109.02894	3.6
109.06535	9.9
109.10172	14.3
111.04449	12.1
111.08109	15.7
112.43842	2.6
115.05441	4.8
117.07021	19.7
119.08597	31.4
119.49335	2.5
121.02901	5.3
121.06537	15.1
121.10143	21.3
123.08049	10.9
123.11731	2.9
125.05971	3.2
125.09649	7.0
128.06264	3.0
129.07024	23.0
131.04971	3.0
131.08580	25.9
133.06493	8.6
133.10146	22.2
135.08070	4.6
135.11717	22.6
137.09634	3.8
141.06990	2.6
142.07791	5.3
143.08617	11.0
145.06491	4.4
145.10159	17.7
147.04428	4.3
147.08038	9.8
147.11693	23.5
149.09644	7.3
149.13268	17.5
153.12775	34.4
157.06544	4.5
157.10188	12.6
159.08136	3.0
159.11716	11.7
161.06047	3.7
161.09628	6.5
161.13255	8.6
163.11205	18.1
165.09142	8.0
171.11682	18.0
173.09650	4.6
175.11214	9.9
177.12755	2.9
181.12253	17.7
185.09596	2.6
189.09206	3.1
189.11217	3.0
189.12799	7.3
191.10707	5.4
193.12265	36.0
195.13881	3.7
203.14281	4.2
207.13824	18.4
209.11774	5.2
227.12769	45.0
231.13846	4.8
232.14612	2.9
247.13214	5.5
249.14888	7.5
289.14337	4.4
355.22739	5.5
365.21103	7.3
383.22092	17.8
401.23242	8.2
457.25348	14.0
458.25720	2.9
475.26065	84.2
476.27356	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	474.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59752	0.5
58.38275	0.4
69.83989	1.5
69.84396	1.0
70.06588	0.6
72.23220	0.5
78.06797	0.4
94.16397	0.5
95.06071	0.7
98.20863	0.6
104.05003	0.5
105.03426	0.6
105.05779	0.6
106.06573	0.5
109.30586	0.5
111.05585	4.1
120.04484	3.1
123.05553	1.1
125.05863	0.9
126.06657	2.2
132.04469	25.1
134.06033	5.4
137.04723	2.0
146.02455	0.5
151.06160	10.6
159.05518	0.5
180.08870	0.9
194.06709	4.9
195.07570	1.1
201.06645	0.6
202.09685	2.3
206.06860	0.5
216.11400	1.1
230.09314	1.6
232.10870	0.7
242.09242	4.4
255.08676	0.6
257.10388	5.9
259.11945	10.3
284.11435	5.1
286.67056	0.5
302.09229	1.0
302.12503	14.2
303.12817	0.6
327.12033	4.1
345.13095	100.0
346.13239	3.5
456.16113	0.9
474.17355	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	473.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.00285	0.9
53.03948	10.6
55.01884	5.1
55.05515	20.0
57.03437	4.6
65.03944	4.5
67.05508	47.1
69.03429	2.2
69.07073	10.5
71.04987	3.0
71.06381	2.3
77.03903	1.3
79.05495	72.0
81.03421	100.0
81.07061	39.0
83.04983	12.5
83.08624	20.9
85.02879	0.9
85.06529	3.2
91.05483	60.0
92.05784	1.0
93.07048	48.6
95.04973	37.8
95.08613	19.0
97.02888	3.5
97.06528	4.3
97.10161	4.2
99.40277	0.9
103.05489	1.6
105.04496	2.3
105.07034	43.9
107.04958	10.9
107.08609	13.7
109.06524	5.8
109.10166	5.2
111.04459	1.5
111.08093	8.2
115.05444	2.5
117.07024	9.1
119.08588	28.5
121.06485	5.6
121.10146	8.5
123.08060	5.1
123.11689	1.7
125.09620	2.9
128.06227	3.6
129.07001	21.9
131.04973	1.2
131.08560	13.1
133.06488	4.9
133.10133	10.3
135.08073	1.5
135.11707	2.3
137.09636	2.2
141.07008	1.9
142.07800	2.9
143.08557	8.0
145.06488	3.3
145.10132	7.6
147.08034	5.9
147.11691	33.3
149.09621	4.7
155.08563	1.7
156.09335	1.3
157.06425	1.3
157.10165	8.1
159.08076	2.3
159.11665	2.4
161.09595	4.2
161.13263	9.4
163.11226	1.4
165.12686	1.8
169.10175	2.8
171.08113	2.0
171.11691	18.8
175.11205	7.1
177.12756	1.1
181.10175	1.3
183.11775	1.3
185.08177	1.0
185.13313	1.0
189.11244	1.7
189.12740	7.2
193.12256	26.8
195.11627	0.9
207.13815	22.2
225.14857	2.7
229.15877	1.1
249.14958	5.4
267.15903	1.0
271.16965	1.0
281.17538	1.8
363.23413	2.1
381.24283	3.5
399.25430	2.8
417.26334	1.3
444.72351	1.0
455.27914	2.7
473.29016	69.0
474.29385	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2205
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05502	0.5
61.41667	0.4
67.05487	1.2
67.24389	0.4
70.63654	1.0
71.04984	0.5
79.05497	0.6
81.07055	1.0
82.69938	0.4
83.04984	0.5
85.02930	0.5
86.77772	0.4
91.05487	0.6
93.07040	1.0
95.08601	0.9
95.56310	0.4
97.02907	0.6
97.10200	0.5
105.07061	0.6
107.08591	1.5
109.10135	0.7
111.12810	0.3
114.10320	0.8
123.04436	3.5
139.03915	6.1
156.20454	0.4
165.09142	1.1
165.55148	0.4
185.04231	0.4
203.05309	0.8
234.00127	0.4
259.07944	0.5
273.07779	0.7
294.57657	0.4
297.12744	0.5
309.16772	1.9
369.23169	0.4
471.22055	100.0
472.22400	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1297
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03421	0.5
67.32857	0.3
67.66619	0.3
68.99785	1.0
69.03438	2.1
79.75098	0.2
85.02894	1.1
87.04469	1.1
91.01854	0.3
95.08601	0.3
97.02885	1.3
111.04430	0.9
115.03965	1.3
127.03929	0.4
133.02812	0.7
133.04982	1.2
137.02353	0.4
137.05994	0.3
155.03450	0.5
159.16388	0.3
179.03409	100.0
180.03738	1.3
191.03484	0.9
208.59671	0.3
218.92006	0.3
221.04500	1.2
341.08749	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	471.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
58.05552	0.4
69.89278	0.4
70.04153	1.4
70.06618	0.6
81.74696	0.4
83.01075	0.6
83.08625	1.8
95.01089	2.0
96.01882	1.1
100.07608	1.0
100.11262	13.8
105.69435	0.5
111.04417	1.6
112.01319	0.7
113.02113	2.8
117.13889	0.4
119.79574	0.4
123.04436	1.0
128.07104	0.9
130.61481	0.4
146.48198	0.5
157.04784	0.9
167.03215	0.6
177.05377	0.5
182.15402	3.0
185.04211	3.6
189.05174	1.0
201.03726	0.8
203.05263	1.1
209.16536	2.4
210.14934	4.1
219.06270	3.1
227.17506	0.6
234.08644	15.7
235.09425	0.7
245.18414	0.5
259.07849	2.2
277.10544	2.0
398.17297	0.5
441.17349	2.3
471.18411	100.0
471.35443	17.7
472.18811	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	471.129
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
51.55001	0.9
53.03939	1.0
55.01860	1.6
55.05505	3.0
57.03435	0.8
63.12081	0.8
65.03941	5.7
67.05509	4.3
68.99786	1.7
69.03419	2.0
69.07063	1.3
69.77667	5.1
70.06583	0.9
72.08166	1.3
77.03924	1.3
79.05475	2.1
81.07050	1.3
82.04189	1.7
83.04945	1.3
83.08628	0.9
85.02909	5.3
86.09704	1.9
91.05468	1.8
93.03429	1.4
95.04958	2.9
95.08575	1.2
96.04485	1.2
97.02888	2.0
97.06512	2.3
100.11264	7.4
105.03366	1.9
105.04557	0.8
105.07011	1.8
107.08610	2.2
109.06464	0.9
110.03651	2.5
111.04452	6.5
114.10229	1.0
119.04961	1.2
121.06554	1.1
123.04433	100.0
124.04750	1.4
125.05995	1.7
127.03863	0.9
129.87016	0.8
137.05907	1.7
138.03096	1.6
139.03909	88.5
140.04253	1.3
142.02579	3.1
147.04385	2.9
151.02769	1.1
151.03911	16.1
163.03931	1.8
171.06546	2.4
171.58714	0.8
177.05510	1.1
181.04968	73.6
182.05258	0.9
182.15410	1.7
189.05435	1.6
209.16501	1.1
210.14902	1.6
221.04565	0.9
226.06609	0.8
231.06329	1.5
255.06523	1.4
273.07510	6.3
301.12567	1.8
309.16769	1.1
318.13538	2.0
319.13712	3.9
322.45837	1.0
471.35770	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	470.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.05511	3.0
57.03418	1.8
57.07073	1.3
58.99582	2.8
59.05012	1.7
61.02918	1.9
67.05492	3.5
69.03424	5.0
69.07070	1.9
70.90148	3.3
71.04999	9.7
74.00678	2.2
79.05484	7.0
81.07055	16.1
83.04971	2.9
85.02914	10.3
86.00635	4.0
87.02708	1.8
88.02234	6.8
88.03992	9.6
91.05488	2.5
93.07053	6.4
95.04961	2.9
95.08598	2.7
97.01106	1.8
97.02865	3.4
97.06551	1.8
99.02680	1.9
99.08109	5.9
100.02225	2.3
102.03772	1.5
105.07014	4.6
107.08618	10.0
109.06540	8.0
109.10156	10.8
111.02674	4.8
113.04247	4.2
114.03744	1.3
115.02165	3.4
121.10139	5.0
122.02725	4.3
123.11710	9.3
125.04198	2.1
125.09619	2.5
127.03928	1.8
127.11215	1.8
128.05310	10.8
129.03658	3.0
132.01137	7.9
132.99605	1.2
133.10173	8.5
134.02699	5.0
135.11678	1.3
139.11201	2.3
140.05272	8.8
141.03729	9.2
146.02747	1.5
151.11197	19.6
165.07405	1.7
165.87946	1.3
169.12239	10.1
173.09987	2.0
174.05861	12.3
180.60197	1.2
183.08394	5.1
186.05882	20.7
187.04269	8.8
193.46991	1.3
201.09460	19.7
226.12672	7.9
227.11096	1.7
229.80299	1.2
244.13695	1.5
254.12074	5.0
255.10597	2.8
272.13162	69.0
273.11548	4.1
290.14221	28.4
291.12500	2.8
308.15277	100.0
309.15649	2.1
345.81253	1.1
452.19748	2.1
470.20618	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	469.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05273	3.1
55.05518	48.6
57.03442	19.4
57.07082	64.9
58.07405	2.1
67.05509	28.3
68.05837	4.5
69.07074	69.4
71.04989	1.9
71.08640	38.1
71.11901	4.4
75.04491	2.1
79.05505	6.9
81.07066	33.4
83.05004	2.3
83.08626	46.7
85.10191	27.5
89.06040	6.0
91.05516	3.1
93.07048	14.7
95.08611	30.8
97.06559	7.6
97.10172	27.5
101.06024	2.1
107.08607	10.7
109.10172	17.7
110.10509	3.3
111.08071	4.0
111.11745	13.4
121.10152	12.9
123.11704	4.9
125.09666	4.6
125.13314	2.3
135.11723	9.5
139.11214	5.0
149.13255	6.3
151.28305	1.9
152.87991	2.2
153.12692	3.2
163.14891	4.5
167.14297	3.2
171.13918	2.2
177.16391	3.6
178.04384	2.2
181.15924	3.9
187.43726	2.0
191.18011	2.7
210.14774	2.0
223.20634	3.4
251.23784	2.3
265.28079	2.2
275.27582	2.1
284.18048	3.1
359.36780	6.8
377.37878	12.8
451.41595	16.2
469.42712	100.0
470.43402	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	469.1684
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
55.01856	0.5
61.44405	0.6
70.06586	0.5
70.17562	1.0
70.17976	1.4
71.12137	0.5
79.05480	1.1
83.01111	1.2
87.98562	0.4
91.05480	1.9
91.73712	0.5
92.05837	0.7
93.03441	0.6
95.01082	2.2
96.01869	1.6
103.05471	0.7
105.07048	4.1
106.07388	2.3
107.04970	1.0
112.01375	1.1
113.02156	2.8
115.05460	0.6
119.04951	1.8
120.05257	1.2
121.06509	0.6
122.06821	0.6
123.04433	1.7
124.07588	0.6
126.02949	0.5
133.06496	4.7
134.06841	2.3
137.05957	1.4
137.89954	0.5
139.03839	0.7
143.06027	0.5
144.06311	0.6
145.21663	0.5
147.04372	1.6
149.06015	0.8
151.07541	1.6
152.07916	0.9
157.04688	0.8
161.05997	8.0
162.06375	6.6
163.03900	1.2
165.05495	0.7
167.07083	3.3
168.07410	1.2
177.05542	1.2
179.07051	4.2
180.07385	3.4
182.09409	0.5
185.04211	5.7
193.08606	8.2
194.08957	8.3
197.08153	2.2
198.08429	1.4
201.03699	1.7
203.05298	0.7
209.08099	1.0
210.08772	1.6
211.09296	0.6
217.04802	1.7
219.84001	0.5
232.07089	15.3
243.08444	0.7
259.07898	3.3
275.09109	1.4
299.09262	0.5
316.57294	0.5
438.14993	3.0
439.15918	1.8
469.16864	100.0
470.17017	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	469.132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13082	0.7
57.03429	0.9
58.94638	0.6
69.03430	3.8
70.36835	2.5
75.79554	0.6
83.23719	0.6
85.02897	2.6
87.04469	1.6
91.05489	1.8
97.02889	1.6
105.07039	2.8
106.07354	0.8
120.08142	1.3
123.04436	2.2
130.06520	0.7
133.06487	2.6
134.06810	1.3
147.04395	1.1
151.07607	1.1
152.07867	0.7
161.05981	5.3
162.06310	2.8
167.07037	1.2
175.03679	2.1
177.05411	0.7
179.07086	1.9
180.07446	1.0
185.04243	1.8
193.08545	4.5
194.09058	3.3
197.08060	0.8
198.08395	1.0
210.08711	1.0
215.03474	0.9
226.55971	0.7
299.07306	0.7
305.06396	3.2
317.08444	28.9
337.08594	1.3
347.16409	0.7
357.54773	0.7
437.10519	3.7
451.32675	1.9
469.13211	100.0
470.13580	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
61.02914	5.0
62.06082	2.5
64.44356	1.5
66.04716	1.5
69.89695	7.1
78.04713	1.8
79.05492	2.4
80.30553	1.2
81.07069	1.4
81.94835	1.3
84.04507	1.9
88.11281	2.5
91.05476	10.7
93.03385	2.8
93.07027	2.1
95.04964	2.8
103.05444	6.6
105.03328	1.9
105.07027	4.3
106.04168	6.6
107.04943	5.6
109.06512	2.5
115.05473	2.0
117.03351	1.6
118.04165	2.4
119.04931	4.7
121.06518	9.5
122.03661	7.4
123.04433	4.3
124.05184	1.7
125.06019	1.8
129.07030	1.8
130.05014	2.2
131.04910	8.7
132.05675	5.8
133.06485	2.6
134.03603	2.2
135.04462	1.7
135.08049	2.0
136.03918	4.2
137.05989	97.0
147.04356	1.9
147.08020	2.4
148.05185	5.0
149.02408	1.5
149.05994	16.1
151.07596	6.4
153.01799	4.5
153.05472	2.0
153.09180	1.8
154.04990	2.9
159.04427	2.6
160.05194	4.2
161.05986	100.0
163.03944	2.0
163.07523	5.2
163.63353	1.3
165.05547	6.6
165.06863	1.4
166.06264	1.9
166.45399	1.3
167.07054	34.9
174.06921	1.2
175.07535	14.1
177.05486	16.0
177.09096	1.7
178.07802	1.8
179.07047	10.1
180.07819	16.7
181.05026	1.3
181.07027	1.4
181.08569	8.3
182.09386	2.1
187.07561	19.3
191.07050	20.5
191.08617	2.5
192.07820	10.3
195.06450	1.8
195.08067	3.1
197.08058	2.1
205.08611	41.4
209.06105	2.2
209.08064	32.8
209.09904	2.8
217.08598	7.1
217.15417	3.8
218.15813	4.5
223.07478	3.1
223.09651	12.7
224.08501	1.6
234.07002	1.3
245.23360	1.6
251.07072	2.1
255.10332	1.8
260.11682	1.2
266.09341	1.5
272.44534	1.4
277.08582	3.0
280.07483	2.0
281.07767	1.9
281.11743	4.0
283.09528	3.4
294.08948	1.4
295.09589	4.7
309.11246	5.8
315.12262	13.6
321.11075	1.9
327.12283	9.3
329.13733	3.9
341.13855	15.3
345.13348	10.6
353.13724	5.1
357.13126	4.0
359.14896	4.7
371.14847	4.3
377.16000	2.9
389.16016	9.8
423.63580	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
57.79561	0.4
58.10072	0.3
61.74836	0.3
69.03446	0.8
71.50980	0.3
80.05006	0.4
81.03412	0.3
84.48339	0.3
85.02908	0.8
92.05014	6.1
108.04481	2.0
109.02908	0.6
121.06556	0.4
123.04393	0.5
127.03930	0.5
136.03928	5.5
137.05969	0.4
139.03897	0.7
140.04802	0.3
143.03435	0.6
143.67705	0.3
149.06079	0.3
153.01860	4.7
153.02980	0.7
154.02412	3.0
154.05000	100.0
155.05321	1.1
164.07112	0.7
256.08014	0.6
280.08188	22.5
281.08496	0.6
298.09235	4.5
344.08057	0.4
381.00391	0.4
468.13727	0.6
468.18881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82553	0.7
55.01871	1.6
57.03435	1.9
62.06097	4.1
62.15575	0.7
63.80302	0.8
64.40747	0.7
67.05492	1.2
70.56438	3.0
79.05499	5.1
80.06254	0.8
89.03896	0.8
91.05478	13.3
93.03403	1.3
93.07032	1.7
94.40005	0.8
95.04995	2.3
101.38702	0.8
103.05483	5.3
105.07031	35.2
106.04192	1.7
107.04945	2.5
108.05745	1.9
109.06477	1.1
115.05451	8.1
118.04129	3.9
119.04953	13.0
121.06525	4.3
123.04443	1.7
123.08057	3.1
131.04906	3.7
132.05707	2.1
133.06497	36.4
135.04460	0.8
136.05215	2.5
137.06001	2.2
141.28026	0.8
143.05061	1.4
143.06064	3.7
147.04420	4.1
148.05276	1.0
149.05984	4.9
151.07549	16.4
153.05466	3.1
154.06245	1.6
161.05992	68.3
165.05482	2.3
167.07059	20.9
173.06006	2.4
177.05482	5.4
179.07048	31.6
180.07797	2.6
181.08583	2.5
182.09419	6.1
191.07010	1.6
192.07808	2.6
193.08615	100.0
194.08928	1.6
197.06253	1.1
197.08102	21.6
205.08578	1.3
209.08096	8.5
210.08876	12.4
211.09717	1.4
223.09625	4.2
304.92307	1.0
468.22281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05516	13.2
57.03438	1.3
57.07081	37.2
58.32035	0.8
59.05001	3.9
59.90555	0.7
65.03941	3.1
66.91614	0.7
67.05509	100.0
69.07076	8.4
71.05002	3.2
71.08242	1.0
71.08640	24.5
79.05505	2.5
81.07059	25.1
83.08621	15.4
85.06567	2.4
85.10186	13.2
85.10667	1.1
91.05497	6.5
93.07050	2.7
95.04962	0.8
95.08609	26.4
97.10169	5.2
99.11735	1.0
101.71677	0.7
107.08598	1.8
109.10164	76.0
111.08108	2.8
119.08588	6.4
123.11720	5.3
137.09654	3.5
137.13287	2.6
155.10701	9.1
173.11752	19.5
185.36693	0.7
195.59070	0.7
217.89169	0.7
239.23695	8.3
253.93617	0.8
262.12854	0.7
467.37375	79.6
468.37836	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	467.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.1
57.03439	1.7
57.07079	35.8
59.04998	4.7
65.03941	2.5
67.05508	100.0
67.65597	0.4
68.05834	0.7
69.03442	0.6
69.07070	8.6
71.04996	3.1
71.08634	25.3
76.11140	0.5
79.05112	0.4
79.05489	2.6
81.07059	27.7
83.08622	15.9
85.06549	2.9
85.10187	13.2
89.14898	0.5
91.05486	6.3
93.07052	3.8
95.08613	26.8
97.06538	0.6
97.10168	5.2
99.11740	0.6
105.07050	0.6
107.08609	1.6
109.10160	79.8
110.10471	0.8
111.08116	2.4
111.11714	1.9
119.08604	4.6
123.11713	4.6
125.13304	1.1
133.08548	0.6
137.09637	3.8
137.13303	1.9
151.14789	0.6
155.10666	6.2
165.16399	0.5
173.11739	23.8
216.88902	0.5
221.22760	0.8
239.23682	8.3
241.25323	0.5
282.97195	0.6
331.14798	0.5
467.37347	81.8
468.37674	2.6
483.18582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05518	10.5
57.03435	2.6
57.07082	35.6
59.05005	4.2
65.03951	3.1
67.05510	100.0
69.03407	0.6
69.07076	8.0
69.25577	5.2
71.04991	3.0
71.08640	26.5
77.96569	0.6
79.05482	2.6
81.07063	28.9
83.08627	16.2
85.06548	2.7
85.10191	12.8
91.05479	5.9
93.07047	3.8
95.08617	25.1
96.08981	0.5
97.10188	5.3
99.08093	0.9
99.11749	0.9
107.08611	2.0
109.10165	78.0
110.10511	0.8
111.08091	2.8
111.11706	1.4
119.08610	5.2
123.11721	3.8
125.13282	1.2
137.09673	2.0
137.13266	1.9
151.14778	0.7
155.10678	8.3
173.11749	19.4
179.87289	0.6
221.22766	0.6
239.23712	7.9
244.36499	0.7
303.09927	0.6
467.37375	78.6
468.37830	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05515	13.0
57.03434	2.1
57.07079	36.3
58.15928	0.6
59.05004	4.3
65.03931	1.8
67.05507	100.0
68.59802	0.7
69.07068	8.8
69.18915	4.4
69.19341	1.9
71.04999	3.0
71.08634	25.1
74.83810	0.6
79.05494	3.9
81.07063	27.4
83.08622	16.8
85.06540	3.9
85.10184	13.2
89.06039	0.6
91.05489	5.5
93.07069	2.9
94.06158	0.7
95.08610	27.2
97.10179	5.5
97.71936	0.6
99.08111	0.8
99.11707	1.0
107.08601	2.4
109.10160	79.6
111.08102	2.9
111.11678	0.8
116.86903	0.6
119.08598	5.9
123.11719	5.1
125.13247	0.9
137.09619	4.4
137.13269	1.5
147.74292	0.6
155.10657	9.6
173.11749	22.2
221.22656	0.7
235.21490	0.7
239.23694	8.6
439.70789	0.7
467.37357	87.1
468.37582	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.2
57.03428	2.1
57.07079	39.7
59.04997	4.5
65.03944	2.3
67.05507	100.0
69.07071	7.9
70.76108	1.9
71.04990	2.8
71.08240	1.4
71.08633	24.7
79.05500	2.4
81.06593	1.9
81.07057	28.0
83.08616	15.8
85.06546	2.7
85.10189	14.8
91.05476	5.2
93.07044	3.8
95.08609	24.8
97.10171	6.3
99.11689	1.2
107.08595	2.0
109.10159	80.5
111.08083	3.1
111.11737	1.4
119.08622	5.4
123.11706	4.6
125.13288	1.1
133.57396	0.9
137.09613	3.2
137.13216	1.3
155.10666	6.4
165.16428	1.5
173.11751	20.9
221.22665	1.6
230.44398	1.1
239.23666	7.5
282.30090	1.0
385.08713	0.9
467.37357	79.2
468.37735	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.3
57.03439	1.3
57.07080	36.8
59.05006	4.6
65.03934	2.9
67.05508	100.0
69.07072	9.2
69.29435	3.1
69.29859	3.1
71.04998	2.8
71.08637	22.8
79.05500	2.5
81.07064	27.7
83.08627	14.5
85.06533	3.3
85.10191	13.0
85.10663	1.0
91.05484	6.6
93.07059	2.9
95.08612	24.4
97.10181	5.1
98.20820	1.8
105.07063	1.2
107.08631	2.2
109.10162	77.0
110.10559	1.0
111.08111	2.4
111.11745	1.1
119.08601	5.4
123.11707	5.3
125.13270	1.1
125.99046	0.6
137.09624	3.4
137.13286	1.6
137.29497	0.7
150.61760	0.7
151.14825	1.7
155.10660	8.3
173.11739	22.7
239.23706	7.7
467.37372	77.2
468.37686	2.3
478.70721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.0
57.03438	9.4
57.07078	37.7
67.05508	29.7
69.07072	10.3
69.18781	4.0
69.19205	8.5
71.08633	30.7
78.59254	1.1
79.05486	2.0
81.07063	18.0
83.08615	9.1
85.10175	12.0
86.49457	1.3
89.06055	1.3
91.05505	1.7
93.07036	3.1
95.08610	25.3
97.06572	1.6
97.10162	4.8
98.98469	43.1
109.10159	21.6
123.11699	4.5
126.89127	1.2
130.40044	1.3
137.00018	3.8
141.83774	1.1
154.99754	2.2
155.01039	47.3
165.16429	1.2
173.11769	5.3
199.61710	1.2
211.03668	2.0
229.04770	2.4
239.23689	6.2
313.27377	100.0
314.27585	2.7
393.23605	2.0
422.56348	1.3
449.26501	13.9
467.37515	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	467.1892
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
57.36825	0.6
69.03425	2.0
71.50816	1.3
72.08138	0.8
79.01859	3.5
81.03417	1.6
91.32739	0.8
97.02898	1.4
99.04522	0.7
103.98267	0.6
104.85994	0.7
107.01340	0.7
123.04430	1.9
125.02342	1.3
127.03922	3.3
143.03421	3.2
153.01836	56.9
153.02921	3.5
154.02161	1.4
154.05019	1.5
163.03851	1.0
171.02844	0.9
177.05569	0.8
185.04227	2.6
259.06046	0.7
278.24158	0.6
287.12540	8.9
305.13589	70.7
306.13925	1.1
366.03665	0.7
426.25516	0.7
449.16559	2.0
467.18921	100.0
468.19235	2.6
472.49768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	2.0
55.05511	5.9
57.03425	2.7
58.13654	0.9
61.02916	2.9
65.03935	2.6
67.05510	9.7
67.64185	0.9
68.99783	1.5
69.03424	3.8
69.07073	5.5
69.15646	8.4
70.06589	1.2
72.08163	5.9
76.33752	1.0
79.05499	10.5
81.03413	3.6
81.07068	17.6
83.04976	4.1
83.08617	2.0
83.37581	0.9
85.02916	5.0
85.06528	1.7
91.05480	7.9
93.03394	1.3
93.07053	7.5
95.04956	3.4
95.08620	8.6
97.02885	2.6
97.06556	6.8
97.07646	4.7
97.10144	2.0
99.04438	1.2
101.97703	1.0
105.07056	5.9
107.04973	1.8
107.08597	6.0
109.02880	2.4
109.06518	4.7
109.10155	4.1
111.04485	5.1
111.08102	1.8
114.10304	27.8
115.05428	1.3
115.80460	1.0
117.07003	2.9
118.06537	1.2
119.08569	4.1
121.06501	1.3
121.10137	3.3
123.04443	11.0
123.11726	1.4
125.05991	3.7
127.03925	1.9
128.06285	1.2
129.07018	1.4
131.04968	1.2
131.08551	3.2
133.10138	2.6
135.04477	1.2
135.11684	2.8
137.05994	2.0
137.09662	1.1
139.03917	100.0
141.07014	1.1
142.05020	1.1
143.08530	1.3
145.06415	2.2
145.10138	2.3
147.04445	1.9
147.11690	1.4
149.06006	1.8
149.09627	1.2
149.13249	2.0
150.98431	1.1
151.03940	14.7
151.07524	1.3
153.01822	1.3
153.05481	3.0
155.08580	1.7
157.10092	1.9
159.07988	1.7
159.11795	1.1
160.05165	1.9
160.14467	0.9
161.06012	8.7
161.13274	1.0
163.03928	11.1
163.07582	1.2
163.14787	1.0
165.05452	1.7
165.09160	1.1
167.08492	0.9
169.04955	2.1
173.06012	2.0
175.07561	2.8
175.14940	1.6
176.04659	4.0
177.05487	1.1
177.09145	2.8
183.08029	1.5
185.06007	1.2
187.07539	2.6
189.09099	11.4
191.07051	1.6
191.10713	1.6
193.08629	1.9
197.05959	1.4
197.09483	1.3
199.07486	1.5
200.04570	1.1
201.09084	8.5
203.10672	4.1
205.12302	1.4
211.07588	2.2
215.06911	1.2
215.10765	1.9
217.08591	2.8
219.10179	14.8
225.09169	2.8
227.10727	2.8
229.12099	1.0
230.15375	1.2
237.09085	1.4
239.07121	1.4
239.10532	1.2
241.12489	1.1
243.10217	2.4
246.16307	1.0
252.46782	0.9
263.14166	0.9
281.15363	3.1
283.16992	1.7
290.30896	0.9
297.14807	3.2
299.16284	5.1
305.24652	1.1
311.16345	1.2
313.10666	2.1
315.15726	1.7
323.16425	1.8
329.17401	1.4
351.12476	1.3
449.19638	3.9
467.20328	1.5
467.26111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03948	0.2
67.75201	0.2
69.02171	0.2
69.03081	0.3
69.03434	3.6
70.47849	0.2
70.67227	0.5
78.41200	0.2
79.01405	0.3
79.01859	5.6
81.03409	0.8
85.02897	0.3
97.02898	1.4
98.01821	0.2
107.01316	1.3
109.02872	0.5
115.03888	0.2
123.04417	0.5
125.02374	2.8
127.03923	5.2
130.05046	0.2
143.03406	6.4
144.08105	0.5
147.04475	0.3
149.02448	0.2
153.01839	100.0
153.02890	5.7
154.02191	0.7
154.04933	0.5
171.02899	0.2
195.02994	0.4
210.81189	0.2
213.03947	0.5
231.06580	0.3
237.03963	0.6
247.10362	0.2
261.04022	0.3
274.70837	0.2
279.04965	0.9
297.06018	0.9
308.75400	0.2
316.65015	0.2
362.18399	0.2
449.07120	0.5
467.08435	0.7
467.20984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02374	0.7
53.96807	0.4
59.13237	0.4
69.03438	2.4
71.51066	0.7
79.01855	5.5
81.03409	0.9
85.02948	0.4
97.02886	1.3
107.01340	1.2
109.02894	0.8
125.02358	3.1
127.03922	4.8
143.03413	6.0
145.02881	0.7
147.04243	0.5
153.01837	100.0
153.02917	6.7
154.02165	1.0
154.05028	0.9
171.02928	0.6
177.05608	0.5
213.03961	0.6
237.04022	1.0
261.04083	0.4
273.79648	0.4
279.05124	0.6
297.06125	0.5
305.13516	0.7
315.07111	0.4
395.42178	0.4
449.07269	0.7
467.08121	0.5
467.19061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49186	1.8
55.05503	5.0
57.03423	8.6
60.53119	1.9
67.05509	25.4
69.07074	10.4
71.04970	3.0
71.30915	2.3
71.31231	2.6
73.77444	2.1
79.05490	14.9
81.03408	4.7
81.07057	31.3
83.04979	3.4
83.08592	5.8
85.02893	3.6
88.85832	1.8
90.52955	1.8
91.05466	9.1
93.07049	18.1
95.04990	4.4
95.08607	11.2
97.02882	2.4
97.06513	4.9
97.10221	3.4
105.03362	2.4
105.07015	5.4
107.08590	8.5
109.10154	4.8
111.08034	3.2
117.07004	5.1
121.06490	3.2
121.10115	7.1
123.04429	4.7
131.08525	3.8
133.06509	2.6
133.10107	4.1
135.11685	3.9
149.06018	2.9
149.13272	9.4
151.03902	4.2
159.11694	7.9
164.51607	2.5
165.05495	2.1
167.07011	3.6
177.12776	4.6
180.06682	2.3
185.14999	2.3
193.04993	1.8
193.08595	13.2
194.08966	5.8
195.09290	2.8
195.13773	6.4
210.44025	1.9
212.09267	14.6
227.81102	2.0
269.17493	100.0
466.20996	4.1
466.28207	2.7
472.83105	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	466.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.05507	8.6
57.03453	7.9
58.34749	1.7
61.02931	3.7
67.05185	2.3
67.05514	25.5
67.72844	1.5
69.03426	12.4
69.07069	9.0
69.53330	11.6
70.06584	8.1
72.08162	2.7
79.05501	16.3
81.03410	5.7
81.07060	43.3
82.07388	3.1
83.04967	5.5
83.08629	8.0
85.02905	11.7
85.06545	3.8
87.04456	10.0
90.72076	1.9
91.03997	1.8
91.05504	10.4
93.07057	21.9
94.07381	2.1
95.04973	3.5
95.08633	11.9
97.02895	10.7
97.06527	6.7
97.10180	2.8
98.21491	2.7
100.11280	2.5
105.07020	4.8
107.04935	2.4
107.08588	14.0
109.06531	1.9
109.10162	4.9
111.04533	2.1
111.08065	4.4
112.08695	1.8
114.10331	7.7
115.03938	13.7
115.05390	1.4
119.08601	5.0
121.10194	9.4
123.04457	11.1
123.11704	2.2
127.03912	2.1
129.54137	1.7
131.08557	5.6
133.04974	14.3
133.10104	4.1
135.04341	2.0
135.11711	4.4
137.05963	3.0
137.13254	4.2
139.03940	4.9
145.04990	2.6
147.11697	2.1
149.13289	15.3
151.03929	9.7
151.07547	2.6
158.09232	2.8
159.11647	8.3
163.03867	2.2
177.12698	2.8
195.13797	5.4
212.09189	3.5
219.10175	9.6
242.93224	1.6
269.17487	100.0
306.30167	1.8
317.17297	2.0
466.28842	2.3
466.34653	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	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
55.43474	1.4
57.03444	10.9
61.02924	1.4
69.03427	3.5
71.01356	1.6
71.05000	77.7
71.50166	2.1
72.08149	1.7
73.02902	2.1
74.02465	1.7
75.04470	4.8
81.03418	2.6
83.04988	4.8
85.02913	100.0
87.04482	3.3
97.02890	3.3
99.04465	1.8
103.03967	1.4
105.03398	4.7
109.02897	11.3
111.04436	6.6
123.04472	1.6
124.26585	1.6
127.03946	3.6
129.05492	46.1
133.02930	1.6
134.04514	2.4
137.05991	1.6
141.05489	7.9
145.02835	2.4
145.05016	3.7
146.08131	1.6
147.04417	3.6
147.06546	18.9
153.01834	5.5
153.05446	3.7
154.04982	8.9
164.09201	5.7
165.05469	2.0
174.10918	1.3
177.05486	5.0
178.79143	1.3
185.10161	1.3
207.06578	4.4
246.32430	1.3
267.08603	1.9
413.79065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01869	12.1
55.05272	2.1
55.05517	27.5
57.03441	10.5
57.07074	9.4
67.05509	26.2
69.07072	35.1
70.95990	3.4
71.04997	1.6
71.08646	8.4
73.02924	8.5
73.95222	1.2
79.05096	2.0
79.05483	10.2
81.07052	21.0
83.04927	1.5
83.08627	25.4
85.10184	3.2
91.05476	5.4
93.07032	11.0
95.08607	13.3
97.06532	3.9
97.10180	16.9
98.98473	58.1
105.07023	2.2
107.08636	6.3
109.10168	14.3
111.08082	2.9
111.11722	3.3
121.10154	8.6
123.11733	2.6
131.08594	1.9
135.11736	6.5
136.99989	4.0
144.46436	1.3
145.10201	1.4
149.13280	3.6
155.01045	45.3
173.11737	3.0
173.47388	1.2
219.21114	2.4
229.04720	3.7
237.22150	10.8
311.25812	100.0
312.26166	2.1
447.24963	15.1
447.30493	1.5
465.18848	3.6
465.29706	2.3
465.36340	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	465.3944
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.05515	65.8
55.23714	9.1
57.07079	74.6
58.74796	8.2
67.05506	57.6
69.07076	100.0
71.08636	46.4
71.51955	10.6
79.05499	10.4
81.07066	51.2
83.08628	64.2
85.10168	25.4
89.06031	18.1
91.05505	12.4
93.07062	20.9
95.08614	51.4
97.10165	70.1
105.07027	11.1
107.08575	22.2
109.10169	56.3
111.11723	33.1
119.08598	15.9
121.10135	17.0
123.11703	12.7
131.08586	11.1
135.08046	11.5
137.09624	19.8
142.52853	9.5
149.09676	13.1
151.07518	58.7
159.11691	10.7
165.09125	21.7
169.08665	62.6
173.11742	14.8
175.11174	10.4
177.09131	34.5
181.08498	9.0
288.90857	9.2
387.36111	27.1
401.37674	18.5
405.37231	53.1
429.37332	74.8
447.38162	49.0
465.36115	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.1
55.05513	12.7
57.03431	7.8
57.06276	2.5
59.63400	2.4
63.59194	2.3
67.05502	25.1
69.03426	3.9
69.07067	11.9
70.15982	2.5
70.62277	7.8
79.05492	9.5
81.03432	4.1
81.07057	54.3
83.04973	5.2
83.08628	6.4
84.25986	2.9
85.02915	4.7
85.06560	3.6
91.05481	21.6
93.07031	17.7
95.04967	5.7
95.08612	22.3
97.02873	3.2
97.06514	3.4
97.10185	3.6
99.04462	3.0
99.08110	3.4
101.00857	2.7
105.07038	31.7
107.08595	17.8
109.06492	7.3
109.10168	7.4
119.04966	3.5
119.08589	30.0
121.10146	22.7
123.04437	77.3
123.08076	3.3
123.11701	22.9
127.03864	2.6
131.08572	3.3
133.10133	23.0
135.11740	8.6
137.02310	3.1
137.05991	3.7
139.03952	5.0
145.10110	3.5
147.04411	12.9
147.11691	54.1
149.05988	4.1
149.13266	11.3
151.03906	10.3
157.10098	3.0
161.05980	4.1
163.03905	5.7
165.05499	17.8
165.12772	22.9
166.56404	2.4
175.11179	3.6
175.14851	11.9
177.05450	18.3
183.13835	5.0
189.05486	7.1
191.07079	6.3
193.12219	3.8
229.14391	6.3
267.15918	34.4
285.07599	6.5
285.16965	100.0
299.09177	16.9
303.08679	4.3
311.09113	3.2
313.10794	4.8
313.17966	14.8
317.10352	6.6
323.09177	3.7
325.10626	6.5
336.26633	3.0
341.10114	7.3
447.21609	9.9
465.22867	19.7
465.28360	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	465.2276
Annotation	Roeperanone
Peak:m/z	Relative Intensity
51.52310	1.0
53.03937	2.0
54.04233	1.1
55.05520	6.9
57.03433	3.8
57.07084	1.3
61.02919	2.1
62.67533	1.0
67.05506	14.5
68.99789	1.5
69.03427	3.9
69.07077	9.7
70.06577	1.5
71.51488	2.2
73.02927	1.3
77.03922	1.4
79.05496	11.1
81.03434	2.3
81.06586	2.4
81.07059	38.9
83.04974	3.4
83.08634	5.2
85.02894	3.4
85.06533	2.5
85.79436	1.1
87.66001	1.0
91.05482	16.5
93.07048	11.5
95.04985	3.2
95.08616	19.8
97.02878	3.1
97.06529	5.0
99.08086	1.7
103.05463	1.3
105.03362	1.4
105.04508	1.4
105.07034	21.5
106.47475	1.0
107.08588	17.4
109.02894	2.5
109.06541	3.2
109.10148	9.1
110.25462	1.1
111.04476	1.4
114.10275	2.0
115.05475	1.6
117.07025	1.9
119.04933	4.3
119.08582	23.3
121.09306	1.9
121.10142	18.4
121.73619	1.1
123.04433	100.0
123.08063	2.3
123.11713	16.4
124.67149	1.1
129.07028	1.7
131.04977	1.2
131.08588	2.5
133.06532	1.6
133.10132	22.5
135.04404	3.3
135.11722	6.6
137.02356	1.8
137.06015	2.6
137.09599	2.6
137.13249	5.1
139.03891	5.0
147.04413	13.7
147.11688	29.7
149.05975	5.4
149.13280	11.4
151.03885	7.5
153.05508	2.4
157.10100	2.3
159.11688	1.6
161.06012	5.2
161.13280	1.6
163.03891	5.7
165.05481	20.0
165.12761	11.2
167.07066	2.1
171.11861	1.7
173.05972	1.4
173.13184	1.6
175.07564	2.3
175.14836	16.9
177.05479	22.1
179.07004	1.7
183.13805	2.8
187.07530	2.1
189.05511	12.1
191.07031	8.4
193.08647	2.1
193.15826	1.8
203.07091	3.0
205.08539	2.1
207.06563	3.8
211.07425	1.6
217.08678	2.4
217.15935	1.7
229.14383	6.4
231.10147	1.4
257.11786	2.3
267.15912	18.5
271.05975	2.3
273.07590	1.3
285.07578	4.8
285.16977	54.4
297.10864	1.2
299.09146	25.8
303.08691	3.2
311.09021	2.8
313.10730	2.2
313.17996	16.1
317.10223	9.3
323.09174	3.9
325.10693	10.5
327.12375	2.4
341.10269	5.5
343.11899	1.7
395.14764	1.5
409.16461	2.1
447.21817	16.1
465.22812	21.8
465.28745	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.5
53.03949	4.5
55.01875	4.0
55.05514	14.0
57.03448	1.7
57.07085	3.3
61.02920	2.5
65.03954	2.6
67.05512	18.1
69.03437	5.6
69.07066	13.2
70.06590	8.9
70.67397	2.4
70.67761	3.0
71.04984	1.9
72.08154	4.2
73.02929	1.6
79.05486	10.6
81.03440	6.6
81.07059	23.0
83.04987	2.6
83.08615	7.5
85.02929	3.6
90.80731	1.6
91.05489	19.9
93.07050	19.6
95.04971	7.6
95.08606	15.7
95.09083	1.5
97.02926	3.2
97.06573	2.4
97.10200	4.6
103.05496	1.9
105.03431	2.0
105.07029	29.1
105.07676	2.0
107.04997	3.2
107.08596	41.0
109.02900	5.4
109.06546	6.1
109.10162	29.8
111.08123	1.3
112.08737	1.9
112.76987	1.4
114.10291	12.6
115.05465	3.1
117.07046	4.8
119.04953	12.5
119.08587	24.7
121.06550	5.0
121.10149	39.5
123.04436	79.1
123.08145	3.4
123.11742	8.4
123.13893	1.6
125.06091	1.3
127.03980	1.8
128.06262	1.6
129.07048	3.2
131.08609	8.6
133.06558	3.9
133.10133	28.3
135.04471	4.2
135.08107	6.4
135.11717	11.3
137.06030	3.7
137.13322	6.0
139.03905	10.8
139.11230	3.0
141.07048	3.4
142.07745	1.8
143.04973	2.9
143.08629	5.2
145.06604	1.8
145.10162	8.5
147.04414	37.9
147.08099	3.6
147.11696	8.9
149.05991	3.2
149.13260	41.4
149.14355	2.8
151.03909	32.9
151.07590	2.1
153.05490	2.5
155.08609	3.9
155.20798	1.3
156.09409	1.8
157.10196	5.8
158.09256	1.7
159.08171	2.8
159.11749	5.5
161.05951	9.7
161.09753	3.6
161.13347	2.3
163.03932	8.8
163.07634	6.0
163.11299	2.0
163.14862	2.1
164.07164	1.6
165.04126	1.2
165.05481	37.8
165.06863	2.2
165.09146	1.5
168.09360	2.0
169.10229	4.4
171.11777	4.1
173.06070	2.8
173.09717	3.1
173.13356	5.5
175.04005	2.2
175.07623	2.7
175.11113	1.8
175.14847	25.5
177.05486	9.8
179.07123	7.7
183.08141	1.7
183.11772	2.8
185.13408	2.9
187.07648	6.5
187.14862	1.9
189.05463	8.7
189.16402	2.2
191.07025	13.3
193.05054	2.6
193.08707	5.9
196.06395	1.6
196.08931	2.5
197.09706	2.5
201.09204	2.8
203.07095	3.9
205.08594	17.2
207.06444	8.2
211.11331	1.7
215.07173	2.6
217.08640	6.9
217.15977	6.4
219.10268	4.0
219.13753	2.3
225.09244	1.8
227.10649	2.0
229.08641	8.9
231.10184	11.1
239.10736	3.6
241.12445	3.1
243.10120	15.4
243.13873	2.5
245.11925	5.5
253.12254	2.0
253.15936	1.6
255.13972	3.0
257.11755	30.4
258.12756	1.9
259.13345	7.2
271.13300	10.1
295.16953	14.2
301.18301	1.6
303.08698	19.3
303.23410	1.9
313.17981	100.0
314.18195	2.3
315.16043	2.2
317.10196	12.6
324.24164	1.9
329.10291	2.2
341.10397	4.6
343.11966	5.8
355.12036	2.3
357.13638	6.5
367.11499	2.0
383.15005	3.6
395.15445	2.1
409.16498	10.1
410.17496	5.1
423.17947	2.1
440.81937	1.5
447.18164	4.9
447.27664	3.2
465.22995	46.6
465.29172	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	465.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45813	5.2
69.49706	4.7
70.31133	17.4
79.05496	6.4
79.51123	5.0
81.07017	6.8
82.58089	4.7
91.05476	19.3
93.07041	9.5
95.04984	14.1
103.05422	9.4
105.07023	13.1
107.04932	19.4
111.04400	7.1
119.04951	5.6
121.06515	15.6
123.04427	13.5
128.06174	8.3
129.07019	12.5
131.04942	11.3
131.08623	7.9
135.08086	8.0
137.05965	20.2
140.04688	13.2
145.06528	8.1
151.07544	15.7
153.05472	9.5
155.07071	12.0
157.06461	10.7
161.06012	52.2
161.09564	11.9
163.07562	10.3
165.09042	6.9
166.06244	10.3
167.07066	100.0
167.08453	11.0
175.07561	15.8
177.09134	10.5
178.04909	6.7
181.08601	88.4
189.09122	75.0
194.93066	5.7
195.08086	6.4
207.08160	6.8
207.10185	16.2
219.08095	7.5
219.10141	10.0
223.07556	8.9
225.09209	12.9
239.07054	8.6
253.08731	9.6
257.11752	11.1
283.09781	10.5
283.13245	8.3
285.11444	24.2
303.13370	18.1
311.12799	10.4
315.12213	15.2
317.13846	24.6
322.91656	6.0
329.13873	13.8
343.15366	29.8
359.14755	11.6
360.15652	28.4
361.16425	90.8
373.16202	8.9
435.20154	8.3
464.10989	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	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	0.5
55.01877	0.6
57.03439	0.9
61.02916	1.6
64.48537	0.4
65.03945	0.4
67.01859	0.4
68.99787	0.9
69.03435	3.5
70.54649	0.9
71.04996	0.5
73.02921	0.5
77.43352	0.4
81.03406	1.7
85.02905	9.3
87.04475	0.4
91.03959	0.7
93.03414	0.5
97.02885	3.6
99.04451	0.6
109.02881	1.6
110.03609	0.4
111.00786	1.1
121.02879	1.0
122.14237	0.4
123.04427	0.7
127.03918	1.9
137.02347	4.5
137.05881	0.4
145.04950	1.3
149.02324	0.6
153.01836	5.7
161.06007	1.5
163.03862	0.9
165.01837	2.1
173.05978	0.5
181.04933	0.5
183.02884	0.9
183.04407	0.6
192.53712	0.4
195.02843	0.5
201.05487	2.2
229.04942	5.0
238.15894	0.5
238.66167	0.8
247.05984	0.6
257.04456	3.0
274.04846	0.5
275.05542	0.5
285.03983	1.3
303.04999	100.0
304.05405	2.2
420.70129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03943	0.6
53.55648	0.2
55.01863	0.7
57.03420	0.9
57.30022	0.2
58.24580	0.2
64.54739	0.2
65.03938	0.6
66.04716	0.6
67.05486	0.3
70.08157	0.9
75.04467	0.5
77.03922	0.4
78.04716	0.4
79.05493	4.1
81.03429	0.3
81.07065	0.2
85.02888	0.2
89.03903	0.7
90.04680	0.5
91.05480	4.2
91.21958	0.2
92.06266	0.5
93.02889	0.2
93.03398	1.1
93.07037	0.9
94.04168	0.3
95.04974	1.0
96.05769	0.2
97.06532	0.2
103.05465	7.1
104.06248	0.6
105.04526	0.3
105.07033	12.6
106.04176	2.1
107.04958	3.1
107.08572	0.3
108.05717	0.7
109.02877	1.2
109.06520	1.2
115.05490	0.9
117.03397	0.3
117.07014	0.3
118.04162	14.6
119.04954	1.4
120.05714	1.3
121.06516	5.1
122.07294	1.4
123.04388	0.3
123.08079	0.5
124.05205	6.1
125.05971	0.8
131.04947	2.5
132.05656	0.9
133.06493	21.5
134.03665	0.6
134.07291	1.9
135.04410	2.0
135.08064	3.4
136.05200	0.2
137.05972	2.3
139.07571	0.3
142.56831	0.2
145.02870	0.4
145.03940	0.2
146.03621	0.2
147.04375	0.4
148.05151	0.9
149.05986	5.9
150.06763	8.4
151.07545	2.3
153.09099	1.1
154.06281	0.3
159.04396	0.4
160.05215	0.4
161.05988	4.2
162.06819	0.3
163.03899	1.7
163.07558	1.1
165.05449	0.4
165.09111	12.9
166.06155	0.2
167.07045	3.9
175.07516	0.5
176.04724	0.3
177.05466	5.4
177.09030	0.2
178.06151	0.6
179.07040	0.6
180.07785	0.8
181.08597	2.3
182.09430	0.4
191.07085	1.3
192.07733	1.0
193.08603	100.0
194.05864	0.2
194.08975	1.2
195.06549	1.5
209.08090	20.7
209.18941	0.2
210.08780	0.5
353.13818	0.8
385.16486	1.1
441.02264	0.2
441.60345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71686	1.0
55.05506	2.1
57.03440	10.8
61.02924	2.0
62.65468	1.2
69.03418	3.7
71.04996	72.8
71.50888	1.2
71.51268	1.5
73.02910	2.1
75.04472	5.2
81.03411	1.4
82.06565	2.1
83.04986	7.8
84.08137	1.2
85.02909	100.0
86.86086	1.0
87.04459	3.2
91.05476	2.1
93.07034	1.5
97.02899	4.6
99.04454	1.3
103.03941	1.4
109.02837	2.0
111.04442	4.2
117.07031	1.1
121.06507	10.9
123.04407	1.7
127.03908	5.0
129.05486	46.7
131.57722	1.0
137.05989	1.3
145.04967	5.0
145.06500	1.6
146.08112	1.8
147.06522	22.9
151.03903	2.0
154.04953	1.6
160.09705	3.0
163.03915	5.1
163.07555	1.6
164.09134	5.1
165.05447	1.4
175.07599	1.8
177.08968	1.2
187.07555	5.7
187.08955	1.2
205.08667	5.7
229.08630	2.2
231.10217	1.6
243.08415	1.4
247.09543	1.2
255.08574	1.3
267.12173	1.9
272.58966	1.0
273.09772	1.8
309.11887	2.4
464.15720	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
57.03442	6.4
58.00922	1.2
58.11722	1.2
61.02928	7.2
69.03430	16.7
71.01349	1.3
71.05003	1.9
71.09448	2.5
73.02920	5.9
76.46378	1.1
81.03414	6.8
85.02910	100.0
87.04463	1.5
91.03970	5.5
91.05482	68.2
95.01329	25.8
97.02891	34.7
99.00847	2.8
99.04447	3.6
101.02364	1.9
103.03936	3.9
103.94034	1.1
109.02865	6.0
112.06925	1.3
113.02377	4.5
115.03910	1.4
117.07011	1.2
123.00776	2.7
127.03922	28.8
129.06984	1.2
131.03351	1.7
141.01833	77.4
145.04965	61.2
145.06172	1.3
159.02892	16.3
163.06020	30.4
177.03947	3.9
181.06895	1.2
321.08200	4.0
385.59558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11628	11.0
57.03441	14.8
69.03436	31.9
69.19197	100.0
69.19615	26.6
85.02914	39.6
85.34558	10.2
87.04451	22.1
97.02915	23.3
106.57517	11.0
107.37035	10.3
113.57177	11.0
115.03946	36.0
121.02873	44.2
133.04961	40.2
146.99669	11.2
152.18944	12.0
153.05457	56.7
237.38887	12.7
250.54309	13.7
258.84717	11.3
259.11053	16.0
265.74783	11.6
307.89139	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05521	21.1
57.07085	24.8
59.39312	3.8
66.09063	3.9
67.05493	12.4
69.07070	33.5
71.04984	5.0
71.08638	22.4
79.05495	5.6
81.07057	23.5
83.08620	25.9
85.10178	11.5
91.05471	10.6
93.07040	15.2
95.08612	17.4
97.10160	19.2
98.21507	11.9
106.84653	4.1
107.08603	9.3
107.93762	4.9
109.06525	7.2
109.10152	11.6
111.08068	11.9
111.11710	12.0
119.08561	5.0
121.10160	7.0
123.08054	7.8
123.11692	4.4
125.05984	19.6
130.31114	4.3
131.08504	5.4
133.10205	5.9
135.08049	7.7
137.05966	27.1
139.07533	37.5
147.11771	4.5
149.09641	6.0
151.07524	19.6
151.90213	4.4
161.09624	4.0
161.13135	3.7
165.05437	9.5
165.09155	6.3
167.07053	16.5
177.09108	100.0
179.07045	14.6
181.08566	9.8
203.10696	5.0
220.23167	4.2
298.96896	3.8
317.37558	4.1
334.60825	4.0
399.36029	16.4
403.35452	20.2
417.37329	15.1
427.36380	8.4
429.59219	6.4
445.36984	57.0
463.37616	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	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.02043	1.4
55.05265	1.5
55.05520	15.1
57.06829	2.3
57.07084	28.0
67.05521	8.0
69.07071	23.6
69.91281	3.0
69.91682	4.9
71.08640	25.4
79.05513	3.3
81.07059	19.4
83.08635	14.6
85.10195	12.1
89.34237	1.3
91.05489	3.7
93.07051	10.0
95.08609	15.3
97.02872	2.0
97.06537	1.8
97.10198	10.0
99.04484	3.7
105.07023	5.7
107.08608	8.1
109.06534	13.0
109.10154	7.9
111.08078	2.1
111.11728	8.5
119.08591	4.4
121.10122	2.4
123.08076	10.9
123.11710	3.3
125.05986	13.5
125.09623	2.7
127.07566	43.4
131.08531	1.9
133.10132	4.3
135.08063	3.2
137.05983	2.8
137.09648	3.9
139.07555	100.0
145.10040	2.4
147.11697	2.7
149.05986	5.0
149.09592	2.1
149.13258	1.9
151.07549	8.4
151.11237	2.1
151.14809	1.8
161.13272	2.4
163.07561	1.8
165.09103	3.2
167.07062	5.3
175.11130	2.0
177.09128	19.0
203.14346	2.1
218.89862	1.4
222.07806	1.4
291.23062	1.5
301.28882	4.3
319.29965	11.0
347.33154	21.0
373.30972	5.3
386.67630	1.7
399.36194	4.4
417.37335	16.4
427.35638	2.7
445.30618	2.1
445.36771	36.8
463.37936	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03957	3.7
55.01862	3.5
55.05508	25.0
57.07082	40.3
67.05508	18.5
68.33621	2.3
69.03419	3.7
69.07069	43.4
69.40798	19.1
71.08634	26.5
76.67442	2.5
79.05504	13.1
81.07049	33.0
83.04975	3.8
83.08621	25.8
83.51538	2.4
85.06565	2.5
85.10191	16.4
89.06007	6.7
89.87726	2.1
91.05482	10.6
93.07042	19.6
95.04975	5.9
95.08619	18.0
97.06535	4.6
97.10201	14.6
98.20783	5.4
99.08097	2.8
105.07017	8.9
107.08589	16.7
109.06528	10.9
109.10155	10.2
111.08069	7.5
111.11710	8.3
119.08585	4.9
121.06479	3.4
121.10146	9.5
123.08080	5.9
123.11678	6.3
124.05199	3.6
125.05982	9.7
125.13281	3.9
131.08560	8.6
133.10126	7.9
135.08073	5.5
135.11676	4.3
137.05975	26.4
137.09570	2.9
139.07555	40.8
143.08571	2.8
147.08136	2.6
147.10623	2.1
147.11673	5.0
149.05992	9.4
149.09616	8.2
149.13303	6.3
151.07552	20.5
153.09082	5.7
157.10172	3.2
159.08018	2.4
161.09648	5.8
163.07603	4.3
165.05475	15.0
165.09117	8.0
167.07022	12.6
171.11650	3.1
175.07552	3.0
175.11217	4.0
177.09117	100.0
179.07036	13.5
181.08609	6.1
189.12761	3.3
193.08643	13.7
197.08142	3.7
199.58801	2.6
203.10654	5.8
207.13876	3.3
214.11884	2.9
231.13663	2.6
277.21661	3.2
280.53888	2.3
307.29767	2.8
385.34705	3.3
396.63934	2.3
399.36279	15.3
403.35788	19.7
417.37222	17.4
427.35815	13.6
441.96390	2.2
445.36801	49.4
463.31281	4.5
463.37891	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01857	2.9
55.05516	25.1
55.98739	1.4
56.69886	1.6
57.03442	12.1
57.07063	3.7
59.04996	1.6
65.03941	4.9
67.05508	95.0
69.03420	4.0
69.07070	33.4
70.63624	5.0
71.04995	9.4
71.08630	3.1
73.02905	2.6
77.03932	1.7
79.05496	71.7
79.20619	1.4
80.05843	1.6
81.03423	7.8
81.07062	100.0
83.04964	8.8
83.08623	19.2
85.06543	6.5
89.30605	1.6
89.76002	1.8
91.05486	53.3
93.07049	83.9
95.04969	7.9
95.08611	39.1
97.06540	16.9
97.10158	6.3
99.04487	1.4
99.08082	3.7
103.47756	1.6
105.07035	25.0
107.04962	4.9
107.08596	44.3
109.06506	4.7
109.10155	10.3
111.08107	8.1
113.05972	2.2
113.09647	2.1
117.07032	20.1
119.08577	15.4
121.06496	6.3
121.10152	24.4
123.08080	2.0
123.11726	3.6
129.07010	8.3
131.08566	25.0
133.10143	16.3
135.08080	4.0
135.11699	28.1
137.09601	2.7
143.08592	8.2
145.06474	2.2
145.10126	17.1
147.08131	1.8
147.11673	4.5
149.13255	36.0
151.11200	2.8
155.08511	3.4
157.10100	5.2
159.11717	17.4
161.09650	1.6
161.13269	2.2
163.11200	14.5
169.10078	2.9
171.11650	4.8
173.13277	2.3
177.12779	7.7
179.14346	3.2
181.12253	3.5
183.11736	2.0
185.13223	1.9
187.14839	1.6
195.13840	13.2
197.13297	2.5
207.13904	1.7
213.14876	3.0
217.15974	1.8
225.16560	2.3
227.12798	29.3
250.51935	1.8
277.21597	2.1
325.25320	2.7
343.26251	2.7
353.24655	8.7
371.25903	10.0
389.26736	7.8
430.84470	2.0
445.29468	24.0
463.31012	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02385	1.6
53.03945	4.6
54.45392	1.2
54.80095	1.0
55.01861	2.6
55.05511	20.8
56.62201	1.1
57.03447	5.6
57.07076	1.3
63.33199	1.1
65.03947	4.3
67.05509	83.1
69.03437	1.7
69.07068	22.8
69.85615	3.4
69.86034	3.6
71.04996	4.6
72.70772	1.1
75.18288	1.1
77.03896	2.1
79.05496	53.1
81.03426	5.6
81.07060	100.0
83.04986	8.0
83.08622	16.8
83.27432	1.1
85.06551	4.7
90.91142	0.9
91.05484	33.9
93.07047	71.0
95.04974	9.1
95.08611	24.5
95.09184	2.0
97.06537	15.6
97.10187	3.1
98.20773	1.4
99.08120	3.5
105.04531	2.4
105.07040	14.3
107.08603	42.8
109.06540	4.4
109.10179	5.4
111.08094	6.7
117.07033	12.7
119.08606	4.6
121.06502	2.9
121.07296	1.3
121.10153	17.3
123.11763	3.7
125.09655	1.3
127.07548	1.3
129.07053	2.5
131.08569	12.4
133.10135	18.4
135.08061	2.5
135.11705	15.1
139.11185	1.6
143.08562	1.4
145.10138	2.6
146.28250	1.1
147.11647	2.9
149.13269	40.8
151.11191	2.5
157.10156	2.2
159.11693	16.7
177.12775	7.9
181.71935	1.1
185.13216	1.3
195.13808	21.4
213.14948	3.7
253.14325	1.2
256.67282	1.1
293.28198	1.1
348.03680	1.1
353.24905	2.3
371.26132	1.9
389.27051	1.9
445.29541	3.7
463.30640	68.9
464.31110	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	2.3
52.61206	1.8
53.03949	9.4
55.01867	4.3
55.05516	25.6
57.03435	8.1
57.07075	3.7
59.05000	1.9
59.65382	1.7
65.03935	4.9
67.05512	92.0
69.07072	29.5
71.04980	6.8
72.27085	1.9
79.05500	66.8
81.03425	3.6
81.07064	100.0
82.97601	2.0
83.04992	8.6
83.08638	22.2
85.06548	6.6
91.05492	59.4
92.10011	1.6
93.07056	83.7
94.07332	1.9
95.04979	8.8
95.08619	37.8
97.06531	14.5
97.10196	4.8
99.08107	4.3
103.05527	2.2
105.04538	1.8
105.07044	42.4
107.04954	4.3
107.08609	40.6
109.06566	4.9
109.10165	8.7
111.08101	7.2
115.05502	2.6
116.06236	2.3
116.74665	2.0
117.07034	23.5
119.08604	23.1
121.06529	4.7
121.10160	22.9
121.45932	1.8
123.08095	2.9
128.06216	4.5
129.07025	14.0
131.08586	35.8
133.06543	2.6
133.10141	22.2
135.08052	5.2
135.11688	12.9
138.06703	1.8
141.07028	5.0
143.08578	11.6
143.70836	1.7
145.10130	16.6
147.08073	3.4
147.11708	7.1
149.09579	3.5
149.13264	28.9
155.08569	4.6
157.10176	10.0
159.11700	15.8
161.09671	2.5
163.11192	1.8
167.14236	1.8
169.10162	8.0
171.11732	5.1
173.13322	3.2
177.12779	7.6
181.10170	5.3
183.11774	2.4
185.13263	4.5
187.14835	2.5
195.12088	3.3
195.13823	15.5
197.13263	3.9
199.14899	3.6
201.12787	2.4
209.13440	4.5
213.14859	2.7
213.85275	2.3
221.13438	2.4
223.14624	2.2
233.15459	3.6
247.16919	4.6
275.20258	1.9
325.25363	4.5
335.23654	4.6
343.26328	7.1
353.24753	22.4
371.25800	24.8
389.26907	22.3
445.29514	46.8
463.30667	66.3
464.30771	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03941	5.3
55.01872	3.1
55.05516	21.0
55.67252	1.1
57.03451	7.0
57.07068	2.9
65.03941	5.0
65.24047	1.0
67.05511	83.3
69.03430	1.5
69.06731	2.1
69.07076	30.3
70.90531	1.5
70.90873	2.4
71.04993	8.0
71.08641	1.2
77.03921	2.5
79.05496	52.3
81.03417	3.6
81.07063	100.0
83.04996	10.3
83.08626	16.8
85.02918	1.2
85.06538	6.3
90.99019	1.2
91.05483	31.4
93.07053	78.7
95.04993	8.3
95.08611	31.3
97.02859	1.1
97.06541	13.4
97.10190	2.0
99.08105	4.8
99.33447	1.2
105.04530	2.4
105.07028	13.6
107.04996	1.5
107.07880	2.1
107.08608	42.3
109.06532	3.5
109.10179	4.8
111.08074	7.8
113.00063	2.6
113.09689	1.7
117.07026	10.7
119.08609	4.5
121.06488	1.4
121.10143	24.0
121.10925	2.1
123.11709	2.0
125.09695	1.1
131.08589	11.2
133.10144	8.4
135.08119	1.5
135.11705	13.1
139.11153	1.5
145.10115	1.6
147.11707	3.1
149.09624	1.3
149.13271	56.3
151.11272	2.0
159.11699	21.9
167.14407	1.7
177.12772	12.5
182.04054	1.1
195.13853	14.4
213.14801	2.6
227.64101	1.1
351.25192	1.4
463.30609	72.7
464.31354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36218	2.4
53.03952	10.7
55.01878	6.4
55.05512	37.8
57.03442	10.6
57.07066	2.2
65.03946	3.8
67.05508	96.4
69.03424	2.7
69.07071	33.2
69.25897	8.7
69.26323	13.7
71.04997	9.6
79.05498	78.0
81.03437	4.7
81.07061	91.3
83.04967	6.3
83.08623	15.2
85.06557	6.0
91.05485	100.0
93.07050	85.2
95.04984	15.2
95.08605	49.3
97.06514	11.4
97.10184	9.6
99.08057	3.0
103.05508	7.2
105.04527	4.5
105.07037	95.2
107.04985	8.6
107.08595	38.0
109.06560	12.9
109.10155	15.5
111.08089	5.4
111.47101	2.6
115.05495	7.7
117.07017	46.2
119.04999	3.1
119.08589	48.5
121.06544	10.3
121.10158	33.2
123.08126	5.5
128.06270	5.5
129.07024	36.2
131.08575	76.7
131.09531	4.6
133.06508	5.5
133.10150	29.5
135.08093	9.0
135.11720	9.7
137.09637	6.4
141.07033	13.6
142.07803	5.0
143.08563	25.4
145.06519	7.4
145.10156	40.8
147.08084	9.4
147.11752	12.2
149.09641	7.8
149.13242	12.1
151.11282	4.6
155.08575	13.4
156.09354	2.5
157.10130	23.1
159.08067	3.5
159.11711	23.0
161.09637	6.7
161.13312	7.0
167.08604	4.8
169.10069	16.1
171.11696	16.5
173.13281	9.0
175.11151	5.9
177.12814	4.3
181.10110	8.2
183.11787	9.8
185.13327	9.1
187.11365	2.8
187.14825	8.1
195.11725	7.8
195.13771	2.8
197.13313	10.7
199.11206	3.4
199.14931	5.1
201.12781	3.9
205.12289	2.7
209.13348	5.7
211.14865	6.6
213.12869	3.3
213.16490	3.7
215.14314	2.4
217.15900	6.4
223.14940	5.2
225.12726	2.8
225.16437	5.1
233.15395	6.6
241.15958	3.6
243.17433	2.4
245.15497	2.7
247.16977	6.0
252.89262	2.8
255.17516	5.3
259.17035	6.8
261.18488	6.3
273.18579	5.4
275.20044	3.2
287.19949	3.2
325.25388	9.2
335.23770	14.2
343.26294	21.1
353.24716	52.2
371.25851	69.8
372.26328	2.9
389.21967	4.1
389.26889	65.9
390.27396	3.4
417.30334	2.6
427.28290	5.9
437.16818	2.6
445.29504	88.6
446.30042	4.4
463.30569	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13737	17.9
71.01780	20.7
71.02100	32.0
84.07197	18.9
108.83808	18.4
147.04427	33.6
180.97511	23.8
194.08040	20.1
198.98535	100.0
240.99614	30.1
245.02106	18.1
257.00623	78.3
257.04984	22.3
261.12668	18.3
381.73764	20.7
463.06552	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	463.1235
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
55.05482	0.3
59.34627	0.2
59.46002	0.2
60.44917	0.2
60.70620	0.2
67.00275	0.2
67.05482	0.3
67.48274	0.2
69.03381	0.2
69.77528	0.2
70.06570	0.3
70.49952	0.2
70.63773	0.6
81.07022	0.5
84.08131	0.3
85.02863	0.3
86.09698	0.5
91.05435	0.7
93.06992	0.3
95.08565	0.4
100.11230	0.4
102.94884	0.2
105.06939	0.3
107.04904	0.2
107.08573	0.5
109.02845	0.2
109.10098	0.2
111.04449	0.3
119.08517	0.4
120.08088	0.3
121.10111	0.4
121.62521	0.2
123.04381	0.8
128.43365	0.2
133.10086	0.3
137.05946	0.3
139.03899	0.3
147.04419	0.2
149.05986	0.2
153.01868	0.6
159.11714	0.2
164.07056	0.2
165.05415	0.2
167.07082	0.3
167.08472	0.3
229.04941	0.3
258.05252	16.5
259.05783	0.3
286.04724	36.2
287.05109	0.8
301.07068	100.0
302.07388	2.5
372.10217	0.2
463.12271	0.7
463.18594	0.3
463.32529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.7
55.01871	2.9
55.05512	19.2
57.03444	7.3
57.07073	3.2
65.03935	3.3
66.27686	1.2
67.05508	83.6
69.07072	29.0
70.75988	2.6
70.76343	1.7
71.01357	1.5
71.04989	6.3
71.08646	1.5
73.02959	1.2
76.73657	1.2
79.05495	54.2
81.03426	3.1
81.07059	100.0
83.04987	9.1
83.08622	17.3
85.06535	4.6
91.05482	32.1
93.07049	73.5
94.07373	1.3
95.05000	6.6
95.08614	29.4
97.06546	15.1
97.10178	2.2
99.08111	4.8
105.04507	2.8
105.07035	14.8
107.04948	1.3
107.08604	36.0
109.06538	4.3
109.10143	6.3
111.08071	10.0
113.09722	1.9
117.07013	12.6
119.08573	3.1
121.06494	2.6
121.10150	27.9
123.11694	1.8
125.09682	1.1
129.07056	1.4
131.08574	14.1
133.10143	8.8
135.08070	2.3
135.11694	12.2
139.11244	1.9
145.10117	2.4
147.11682	2.0
149.13268	47.2
151.11285	1.6
159.11699	18.5
163.11165	1.9
177.12785	9.8
179.14346	1.2
195.13846	18.4
213.14949	3.5
227.12859	2.6
246.04341	1.2
251.16318	1.6
287.27109	1.2
445.29355	3.1
463.30667	60.9
464.30896	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	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31628	4.1
66.77361	4.4
68.52460	4.0
69.03404	3.6
69.40504	35.9
70.06602	7.7
72.08164	5.9
85.02900	8.4
89.06042	8.7
91.05475	5.6
93.07053	10.4
95.04973	5.2
97.02900	8.2
105.07057	6.5
107.04971	11.7
109.06523	5.5
111.04420	5.9
113.79433	4.9
119.08587	12.3
121.06516	10.5
123.04448	12.6
123.08115	4.8
130.23325	4.3
131.08600	5.4
133.16919	4.9
135.08078	7.8
136.07646	6.9
139.82658	4.5
145.10036	4.6
154.04990	27.6
154.08662	5.6
159.08052	9.7
159.11705	6.0
161.09598	5.4
174.05508	8.1
175.07513	12.1
187.11224	5.9
201.12781	8.1
203.10670	8.5
204.10733	4.6
212.07069	17.8
214.08739	6.2
217.12296	4.8
219.13805	4.7
242.08144	10.5
247.13368	19.6
260.09271	10.5
265.14359	100.0
278.10269	18.4
307.94696	4.8
462.12714	5.1
462.21872	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	462.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06092	4.2
67.05494	0.9
69.03431	0.8
70.06602	1.2
70.89394	0.6
71.51469	1.2
81.03395	1.1
81.07041	0.9
83.04977	0.9
83.47359	0.6
84.08133	0.7
84.20853	0.6
85.02898	0.8
86.09705	0.7
91.05507	0.7
95.04959	0.7
97.06540	0.6
105.07034	0.9
107.04980	0.9
111.04451	2.8
112.07572	0.8
115.05491	0.5
116.01748	0.7
117.07043	0.9
123.04444	3.5
127.03912	0.8
129.07039	0.9
136.03938	0.7
139.03912	100.0
140.07019	0.7
145.06474	0.7
146.06009	0.8
147.04442	1.4
151.03893	1.3
154.04996	12.9
155.08553	0.9
157.04976	2.1
159.07994	0.8
161.06079	0.7
163.03937	2.6
165.05502	0.6
167.08557	0.8
169.04942	0.8
175.07553	0.7
177.05486	1.0
181.04970	1.6
183.06494	1.1
185.09689	1.7
187.07564	3.9
191.10741	0.7
195.07996	1.3
197.09645	1.3
201.09109	5.9
203.07312	0.6
203.10689	8.9
213.09099	1.9
215.10664	1.2
219.10080	4.3
225.09212	2.8
227.10703	1.9
231.10240	3.1
233.11731	1.5
243.10165	1.4
245.11842	2.0
255.19424	0.6
259.11292	1.1
280.08221	2.6
295.06128	0.7
301.07065	0.8
351.12177	3.5
352.71814	0.7
353.13803	2.0
369.13351	4.1
401.15948	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	461.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.05521	14.1
57.07079	41.2
61.13372	2.2
67.05497	10.4
69.07079	22.6
71.08637	34.9
71.50919	2.6
73.06560	2.9
79.05487	4.7
81.07069	11.5
83.04990	5.4
83.08614	9.4
84.64248	2.7
85.10183	17.9
89.06038	100.0
90.60638	2.0
91.05499	7.1
93.07047	7.8
95.08597	15.9
97.10181	8.8
99.11749	3.0
105.07037	9.3
107.07077	6.9
107.08601	13.1
109.06516	4.1
109.10161	7.5
111.11707	3.9
119.08570	9.5
121.06494	3.5
121.10153	11.8
123.11719	4.0
130.08641	3.3
131.08574	36.2
133.08614	33.8
133.10132	9.8
135.08058	9.1
135.11702	4.8
137.05966	3.9
137.09625	23.3
145.10139	6.4
147.11731	2.7
149.09650	27.6
149.13190	3.0
151.07603	4.9
151.09683	7.5
151.11098	3.2
153.09236	2.9
159.08194	3.3
159.11668	7.7
163.07582	8.2
165.09137	15.2
173.13326	5.4
175.11169	3.7
175.14818	2.6
177.09137	45.8
177.11234	8.1
177.12662	3.9
179.10715	2.9
185.10876	2.4
187.14760	5.1
191.10718	5.3
191.14362	11.8
195.12311	37.4
205.12238	3.3
215.14391	4.3
221.15437	3.8
233.15320	5.3
275.20435	4.1
281.00443	3.0
291.23141	2.6
317.24768	2.6
317.28293	4.8
333.27881	2.7
387.35999	2.6
401.37607	8.3
411.36334	6.7
429.37320	29.8
430.37091	2.5
461.39749	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	461.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66183	1.7
53.03942	2.6
55.05516	28.9
57.07082	53.2
59.04991	2.7
67.05507	14.5
69.07076	33.1
70.10551	7.7
71.08636	31.3
79.05477	9.9
81.03402	2.4
81.07069	22.3
83.04987	6.0
83.08620	31.0
85.10188	17.9
89.53312	1.7
91.05487	15.4
93.07050	14.0
95.04969	1.8
95.08617	23.3
97.10147	13.5
105.07037	12.6
107.08593	26.2
109.06500	6.6
109.10155	23.9
111.11693	9.0
116.06249	3.5
117.07051	5.3
119.08574	17.8
119.69028	1.7
121.06475	2.8
121.10155	21.8
123.08100	5.7
123.11733	4.7
125.09602	2.4
131.08577	73.3
133.10129	13.6
135.08040	10.3
135.11703	6.8
137.06010	4.5
137.09630	41.4
139.07581	1.9
143.08624	2.3
145.10120	6.8
147.07990	2.3
147.11694	6.9
149.06009	3.6
149.09624	46.5
149.13280	5.3
151.07541	11.8
151.11205	4.2
153.05516	3.3
153.09085	4.0
157.10133	2.5
159.08133	4.6
159.11714	8.3
160.52325	2.2
161.09698	6.0
161.13235	5.5
163.07535	15.1
163.11157	6.0
163.14873	4.4
165.09129	27.2
167.10716	2.2
171.11678	2.7
173.09630	2.5
173.13274	10.6
175.11188	3.6
175.14877	5.2
176.53900	2.4
177.09125	100.0
177.12750	5.6
179.10692	7.1
187.11212	3.1
187.14853	7.7
189.12775	2.7
189.16360	3.6
191.10690	8.1
191.14326	18.5
193.12260	6.3
195.10251	4.7
201.12791	3.8
203.14355	2.4
205.12334	5.8
205.15898	3.3
207.13902	4.6
215.14304	6.7
215.88980	1.9
219.13866	5.9
221.15410	7.2
223.46890	1.9
233.15382	14.7
235.16905	4.1
247.16753	3.8
261.18509	3.5
275.20059	3.3
277.21756	2.7
289.21625	6.5
289.25043	1.9
291.23215	7.1
303.23099	5.1
317.24780	6.4
317.28278	4.6
319.26492	2.6
331.26443	2.7
333.27814	2.4
345.27966	2.8
347.29568	4.0
352.65607	2.1
359.29498	4.6
373.30957	8.5
383.36719	4.8
387.36206	8.3
401.37997	14.9
403.35641	6.0
411.36340	12.1
411.41562	1.7
429.37335	70.5
433.40570	3.0
443.38699	3.5
461.40112	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	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.05515	9.6
57.03433	1.9
57.07067	3.4
65.03915	1.7
67.05511	20.8
69.03428	2.0
69.07079	11.2
69.42361	7.2
69.42780	3.0
70.45777	1.1
71.08602	1.5
74.63709	1.2
79.05496	12.3
81.03406	3.7
81.06591	2.2
81.07059	35.8
83.08611	5.6
85.06548	1.9
91.05499	8.2
93.07049	9.9
95.04943	1.8
95.08610	21.4
97.10167	4.8
105.07014	6.9
107.04929	2.2
107.08607	5.4
109.06512	2.4
109.10153	16.2
111.11719	3.0
117.07005	3.5
119.08561	9.6
121.06540	2.1
121.10134	6.5
121.35384	1.4
122.07304	1.4
123.08041	2.1
123.11716	6.3
129.06999	2.1
131.08580	5.1
133.10149	5.0
134.10426	1.5
135.08031	4.8
135.11676	4.3
137.09604	11.7
137.13292	2.5
139.07512	2.0
139.11111	1.2
141.07037	1.3
143.08553	2.5
145.10158	1.9
147.11746	2.1
149.09610	12.7
149.13205	3.7
151.07558	2.8
151.14775	1.6
157.10130	1.7
159.08008	1.3
159.11697	3.8
163.11185	11.6
164.08267	1.4
165.09125	100.0
171.11682	2.3
173.09703	1.6
173.13295	1.8
175.11200	4.8
176.08440	1.5
177.09085	8.4
187.11182	2.3
189.09169	2.1
189.12753	2.9
191.10670	5.6
193.12233	1.4
199.11249	2.0
201.12689	1.9
203.10651	2.3
203.14351	1.3
205.12245	8.0
217.12204	1.5
217.15871	1.4
219.13748	2.7
252.65137	1.3
295.62155	1.3
369.23938	1.9
403.53772	1.2
415.31961	2.1
425.34030	2.6
443.28326	1.5
443.35281	10.1
444.35263	1.2
461.29092	6.8
461.35696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29552	3.4
50.99248	3.3
55.05308	3.1
55.05515	35.6
57.07080	67.4
67.05507	23.9
69.06723	6.0
69.07068	66.2
69.42622	2.8
70.43885	3.0
71.04997	8.9
71.08637	51.3
71.42915	6.2
79.05489	12.4
81.07059	94.3
83.04975	6.0
83.08627	46.4
83.19480	3.5
85.10191	26.3
91.05502	10.9
93.07043	15.8
95.07998	4.2
95.08609	74.5
97.10175	32.1
99.04470	13.1
99.11758	3.4
99.62635	3.8
105.07020	17.3
107.08600	17.1
109.06509	22.1
109.10159	37.2
111.04435	11.4
111.11714	16.1
117.07035	7.0
119.08583	12.1
121.06539	3.5
121.10144	14.2
123.08074	6.3
123.11740	20.6
123.12460	3.4
125.05964	7.0
127.03911	21.8
130.07773	3.8
131.08586	15.6
133.06496	5.0
133.10120	7.0
135.08060	8.3
135.11682	11.1
137.05983	100.0
137.13239	11.0
143.08583	6.2
144.09340	5.2
145.10109	21.8
149.06024	4.3
149.09641	8.3
149.13272	4.0
151.07526	29.0
151.14795	9.1
155.08562	6.4
157.10126	7.0
158.07234	5.1
159.08026	4.9
159.11678	38.5
161.09601	7.0
161.13206	5.0
163.07570	5.3
163.11174	7.0
163.14832	5.0
165.09164	8.7
165.16347	3.8
167.07014	6.6
169.10100	5.9
171.11662	9.6
172.08878	10.6
173.09621	79.9
173.13312	7.7
175.11194	13.9
177.09109	14.7
177.12753	4.3
177.16422	6.2
179.07028	7.1
183.11603	4.0
185.13127	4.3
187.11189	63.7
187.14804	3.8
189.12820	5.7
191.10648	13.8
192.19113	3.5
193.08560	6.4
197.13213	3.7
201.12746	11.2
203.10672	7.7
203.14388	4.2
205.12233	29.4
211.14737	3.3
215.10709	7.1
215.14452	4.7
219.13803	11.8
229.12263	9.9
229.15881	5.2
232.29626	3.7
243.17627	3.8
277.28967	7.8
335.33212	8.7
383.33047	72.4
397.34790	25.3
401.34253	44.7
425.34012	14.8
443.35107	22.4
461.51593	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	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.1
55.01863	9.8
55.05517	47.6
57.03423	13.4
67.05510	90.5
69.03420	4.9
69.07082	32.5
70.67463	9.7
71.04977	6.1
72.86253	3.0
77.03887	3.8
77.84863	3.6
79.05067	6.2
79.05497	70.6
79.05963	4.3
81.03409	8.2
81.07064	85.5
82.46842	3.7
83.04977	8.9
83.08618	25.5
85.06551	4.9
85.71749	3.1
91.04907	5.2
91.05487	100.0
93.07049	70.4
95.04967	21.2
95.08613	45.3
97.06522	9.3
97.10160	9.9
103.05520	3.9
105.04536	4.5
105.07033	72.6
107.04940	12.0
107.08604	31.5
109.06561	7.4
109.10157	20.5
111.08057	6.7
115.05457	12.9
116.06181	3.8
116.50784	3.5
117.07014	56.3
119.08592	34.8
121.06522	13.4
121.10166	19.5
123.08062	11.4
125.09618	7.2
128.06245	17.5
129.07016	58.1
130.07800	3.9
131.04970	4.7
131.08577	74.7
133.06450	11.3
133.10118	22.3
135.08070	7.2
135.11690	10.0
137.09586	5.3
141.07016	25.3
142.07771	6.3
143.08565	52.3
145.06487	16.1
145.10130	35.6
147.08070	14.5
147.11671	13.2
149.09621	10.4
149.13303	4.5
153.06944	4.7
155.08568	33.3
157.10150	27.0
159.08083	9.6
159.11682	20.4
161.09656	8.1
163.11159	9.3
165.06932	3.5
167.08549	14.8
168.09422	5.9
169.10135	23.2
171.08099	5.0
171.11714	21.5
173.09663	3.8
173.13232	5.2
175.11220	8.5
177.12790	6.8
179.08553	7.7
181.10109	15.2
181.11749	3.2
183.11765	16.6
185.09608	5.1
185.13245	9.7
187.11110	5.7
187.14844	6.0
193.10129	8.8
193.12096	5.4
195.11688	13.9
195.13564	3.3
197.09430	4.2
197.13319	17.0
199.11084	4.9
199.14763	7.7
201.12724	6.4
203.14384	4.5
205.10074	4.0
205.12099	4.5
207.11676	7.3
209.13223	11.3
211.11200	5.2
211.14832	8.0
213.12712	5.6
215.14333	8.0
217.15881	4.0
221.13303	10.3
223.14822	14.1
225.12630	4.2
227.14381	3.8
231.17393	3.5
233.13252	4.4
233.15332	3.8
235.14883	9.1
237.16286	7.0
239.14294	6.6
253.15855	6.4
257.15323	3.6
259.16962	6.9
269.15186	3.7
271.16931	11.7
275.16544	4.4
289.18106	4.5
296.59119	4.0
313.00034	3.8
315.21204	4.6
323.23660	9.2
333.22076	20.4
341.24680	15.6
351.23175	50.0
369.24301	48.0
387.25235	24.0
415.28058	4.5
425.26889	7.0
443.28018	63.9
461.29016	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
55.01875	6.2
55.05518	27.7
55.15525	2.0
57.03440	6.9
65.03928	3.5
67.05512	66.5
69.03429	2.9
69.07074	20.7
71.05000	6.0
73.43039	1.9
79.05502	54.6
80.81915	1.7
81.03425	68.2
81.07063	66.3
83.04987	7.1
83.08631	23.5
85.06546	3.5
88.59340	2.0
91.05489	48.8
93.07055	57.2
95.04978	36.4
95.08620	22.9
97.06541	6.7
97.10191	9.8
98.21526	4.3
103.05453	2.5
105.04559	1.8
105.06394	3.0
105.07042	34.6
107.04969	14.8
107.08601	28.5
109.06541	6.9
109.10169	11.3
111.04480	2.9
111.08077	8.9
113.55840	2.1
115.05477	3.6
117.07026	15.6
119.04977	2.9
119.08591	21.4
121.06538	11.6
121.10142	14.6
123.08097	3.6
123.11687	1.8
125.09660	9.2
128.06215	2.9
129.07036	19.3
131.08583	25.3
133.06491	7.8
133.10124	10.8
135.08058	4.8
135.11705	7.3
137.09593	2.1
141.06996	5.2
142.07764	3.7
143.08562	9.6
145.06534	9.1
145.10152	12.4
147.08098	12.4
147.11687	6.3
147.92847	1.9
149.09647	8.4
149.13300	18.0
152.37889	1.8
155.08578	6.3
157.10152	11.0
159.08119	4.9
159.11691	12.7
161.09662	2.0
163.11244	2.0
169.10149	5.4
171.08014	3.0
171.11743	5.3
173.09616	2.1
173.13293	4.1
175.11237	9.9
177.12813	5.0
177.93372	2.3
183.11702	4.6
185.13330	2.3
189.11261	3.4
193.12221	20.0
195.13792	2.4
197.09645	2.4
197.13312	3.3
199.14906	3.5
201.12788	2.5
211.11211	2.4
211.14922	2.5
213.12915	3.6
213.20609	2.0
217.15915	5.7
237.16336	2.0
247.17366	1.9
249.14915	4.6
251.16422	1.7
275.16611	2.5
333.21994	2.3
341.24911	4.0
343.22787	3.6
351.23203	10.6
369.24219	31.2
387.25171	13.3
405.26651	2.4
407.26147	2.1
417.26541	8.3
443.27988	29.7
461.29050	100.0
462.29620	5.1
483.76605	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98695	2.6
53.03946	7.7
55.01868	9.8
55.05517	46.3
57.03442	13.3
63.12434	2.4
65.03942	7.0
67.05506	87.5
69.03449	2.7
69.07074	27.3
71.04980	6.8
73.93452	2.5
77.03923	2.4
79.05500	78.6
79.55813	2.0
81.03425	6.6
81.07065	85.0
81.75878	2.0
83.04990	5.8
83.08618	26.8
85.06538	6.6
91.05486	100.0
93.06480	4.6
93.07050	69.7
93.07639	3.6
95.04964	19.1
95.07999	2.5
95.08607	47.6
97.06510	12.1
97.10169	9.5
99.08092	3.8
103.05478	5.6
105.03418	2.1
105.04527	3.6
105.07037	82.5
107.04966	19.8
107.07957	3.8
107.08597	34.0
108.26952	2.2
109.06527	9.9
109.10155	21.9
110.92841	2.1
111.08090	5.9
115.05472	9.1
117.07028	54.2
119.04937	3.8
119.08583	46.7
121.06507	21.0
121.10143	18.3
123.08105	8.1
123.11727	3.2
125.09641	10.2
128.06218	19.4
129.07005	67.1
130.07825	4.9
131.04924	3.4
131.08577	77.0
133.06482	15.1
133.10132	29.3
135.08064	11.8
135.11681	9.5
137.09653	6.2
141.07005	20.3
142.07793	9.7
143.08572	55.8
145.06499	22.8
145.10143	43.6
147.08069	15.5
147.11703	11.7
149.09644	12.0
149.13228	5.2
153.06967	4.2
154.07799	3.7
155.08553	36.2
156.09383	2.8
157.06525	6.2
157.10121	33.8
159.08069	11.1
159.11710	18.6
161.09653	7.0
161.13332	4.0
163.11230	4.8
165.07031	4.3
165.09250	3.2
167.08575	12.4
168.09361	4.6
169.10135	25.7
171.08060	6.3
171.11710	21.0
173.09641	8.3
173.13283	7.5
175.11177	6.6
177.12740	2.7
179.08588	5.7
180.09294	4.6
181.10123	18.4
183.08081	3.5
183.11713	17.7
185.09613	6.9
185.13196	11.3
187.11180	3.7
187.14857	5.5
189.11267	4.9
189.12854	3.7
193.10190	5.1
193.12137	3.9
195.11752	16.1
197.09618	2.6
197.13217	12.1
199.11206	6.4
199.14847	10.4
201.12785	6.6
203.14453	3.3
207.11783	6.6
209.13281	13.5
211.11221	7.2
211.14806	7.8
213.12810	10.5
213.16370	4.3
215.14386	8.9
217.15923	5.5
219.11891	3.3
221.13307	12.4
223.14853	8.1
225.12784	6.1
225.16435	3.4
227.14403	6.0
229.15979	4.1
231.13760	5.3
231.17374	2.7
233.13171	2.4
233.15381	3.0
235.14882	5.8
237.16391	2.6
239.14325	7.7
241.15976	4.1
243.13885	3.2
245.15273	2.6
253.16013	8.2
255.17699	3.2
257.15439	9.9
259.17056	3.1
261.18539	2.2
271.16995	12.1
275.16565	2.9
285.18680	4.8
289.17908	3.5
305.22668	3.5
309.18460	2.8
315.21100	3.6
323.20053	2.9
323.23688	12.1
333.22247	14.6
341.24722	17.7
351.23251	57.0
359.26083	3.8
362.53015	2.3
369.24268	95.2
370.24789	4.4
387.25275	48.9
387.30026	3.3
405.26352	3.0
415.28009	2.5
417.26428	3.2
425.27173	5.5
433.29684	3.0
443.27945	90.7
461.29016	94.6
462.29340	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	15.4
55.05509	35.3
56.96523	10.6
61.89534	13.4
67.05523	67.5
69.03422	11.0
69.07055	23.5
71.31103	24.9
79.05495	74.2
81.03427	21.8
81.07067	70.5
83.05000	14.8
83.08617	29.4
85.06548	12.7
91.05483	86.3
93.07047	65.3
95.04982	39.1
95.08620	42.3
97.02885	18.8
97.06513	18.8
97.10200	14.1
105.07036	44.6
105.66158	10.9
107.04964	18.3
107.08601	33.0
109.06514	22.7
109.10181	15.3
117.07024	30.7
119.04979	18.8
119.08601	39.7
121.06516	16.0
121.10151	30.3
129.07013	14.3
131.04953	13.4
131.08571	24.7
133.06554	21.6
133.10124	13.6
135.08060	18.1
137.06003	14.4
141.07100	13.5
143.08569	13.9
144.76778	10.1
145.06496	19.8
145.10153	18.1
147.08015	14.4
147.11714	27.2
150.67039	9.8
151.04056	11.8
151.07579	44.0
157.10095	14.5
161.09648	13.7
165.09079	20.9
171.11714	11.0
175.07504	10.7
177.09096	13.3
182.15395	12.0
198.40443	11.2
250.41154	11.3
281.17480	100.0
351.23004	14.5
369.24231	39.8
387.24918	22.2
443.27560	23.3
461.28952	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.65094	0.3
53.03948	1.0
55.05520	0.4
57.03444	0.3
60.16370	0.3
66.04931	0.3
67.01885	0.3
69.03426	1.0
69.07082	0.6
70.06590	0.4
71.50905	0.5
71.51313	0.4
79.05502	1.3
81.03419	1.1
81.07065	0.6
83.08631	0.4
85.02917	1.4
91.05498	0.6
93.07068	0.6
93.19654	0.3
95.04977	0.8
95.08611	0.7
97.02896	0.4
100.11288	0.4
107.04961	88.1
107.13863	0.3
108.05273	0.9
109.02887	0.7
111.08130	0.3
121.02880	1.0
121.10162	0.4
127.03944	0.9
128.61516	0.3
137.06017	0.4
147.04446	0.9
153.01837	2.4
156.40611	0.4
177.16434	0.6
179.03389	1.5
192.04205	1.1
193.04977	39.9
195.17479	0.5
195.41713	0.3
210.14938	0.4
213.18536	0.5
299.09158	100.0
300.09515	2.5
314.23264	0.4
461.15067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.84465	3.4
55.05518	19.2
57.07087	10.0
67.05511	22.7
69.03432	34.4
69.07069	24.5
71.04982	17.4
71.12075	4.5
71.23922	3.9
79.05502	26.8
81.07061	54.5
83.04968	7.2
83.08607	15.8
85.06521	9.6
89.06052	8.1
91.05488	32.0
93.07048	47.7
95.04977	4.5
95.08611	66.3
96.56872	4.0
97.06551	8.9
97.10161	13.3
99.08098	21.7
101.98365	4.1
105.07036	48.0
107.08601	88.3
108.08896	4.1
109.10158	60.1
117.07063	9.6
119.08586	70.9
121.10156	55.7
123.08064	5.8
123.11722	26.8
125.08777	6.4
125.09643	90.5
127.07579	10.1
127.11182	18.7
131.08582	25.5
133.10136	100.0
135.08136	4.8
135.11697	58.1
137.13239	14.7
139.11188	7.0
139.92239	4.6
143.08554	9.7
143.10696	35.0
145.10129	44.4
147.11697	84.0
149.13237	16.4
151.07579	5.6
151.11139	7.4
151.14879	4.1
155.10619	9.6
157.10083	7.8
159.11702	36.2
161.13281	31.6
163.11194	4.6
163.14803	16.2
169.12228	6.5
171.11684	10.2
173.13257	21.5
175.14807	22.6
177.16385	13.8
179.14351	6.3
185.13226	5.2
187.14835	15.4
189.16422	43.3
191.10594	21.6
191.17917	27.2
193.15771	7.2
199.14902	8.2
201.16344	26.6
203.17995	32.1
205.15915	25.0
207.17419	39.3
210.48596	3.9
211.16904	35.8
213.16373	10.6
215.17981	29.8
217.15919	8.0
217.19449	11.9
219.17464	6.8
221.19032	10.2
227.17949	6.5
229.19431	12.2
231.21111	5.6
233.19026	25.2
243.21082	8.3
273.22034	7.4
287.23654	4.9
316.18460	4.1
337.28870	9.3
367.20938	3.9
367.26172	5.3
405.35260	8.2
423.36237	67.7
441.37347	42.3
459.32532	4.6
459.38715	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01877	6.4
55.05275	2.0
55.05516	25.8
57.03428	5.4
65.03943	1.9
67.05135	1.4
67.05510	25.7
69.03416	3.3
69.07074	8.2
70.76710	2.4
70.77042	2.0
71.04992	2.6
79.05500	32.7
81.03424	60.5
81.07063	25.8
83.04983	6.7
83.08624	21.1
89.08350	1.3
91.05486	32.1
93.07047	15.2
95.04978	22.4
95.08607	12.6
97.02903	1.7
97.06558	3.6
97.10170	17.3
103.05413	2.0
105.07046	18.9
107.04961	17.3
107.08610	16.5
109.06532	6.6
109.10143	8.2
111.08092	6.0
113.06036	1.2
115.05502	3.4
117.07036	11.1
119.05004	1.6
119.08580	15.6
119.82117	1.4
121.06496	12.1
121.10164	6.9
123.04424	2.0
123.08083	4.4
125.09636	10.9
128.06226	3.8
129.07013	18.0
131.04958	5.3
131.08580	14.8
131.85620	1.2
133.06516	8.9
133.10126	6.8
135.08073	3.9
135.11682	1.5
137.06009	2.3
137.09584	2.3
141.07004	5.2
142.07762	3.7
143.08572	9.0
144.05771	2.4
145.06499	22.5
145.07639	1.3
145.10144	6.7
147.04501	1.5
147.08067	9.5
147.11705	6.2
148.04132	1.3
148.71849	1.1
149.05920	1.4
149.09663	4.9
151.07620	1.3
153.09085	3.2
155.08566	5.0
157.06509	4.5
157.10146	11.2
159.08084	6.0
159.11742	3.0
161.06000	4.2
161.09654	3.3
163.11256	2.9
165.09201	1.6
165.12759	2.6
167.08621	2.4
169.06499	1.8
169.10149	4.8
171.08075	5.5
171.11699	3.2
173.09619	3.4
175.07617	3.6
175.11185	9.0
181.10176	2.4
183.08246	2.3
183.11699	2.8
185.09682	3.4
185.13332	2.5
187.11108	2.1
189.09106	1.4
189.11201	5.0
189.12740	2.0
193.10449	2.2
193.12253	32.8
195.08093	1.6
195.11719	3.8
197.13322	4.4
199.11160	2.3
209.13397	1.6
211.14908	1.7
213.12852	3.3
215.14354	3.1
217.12395	1.6
223.11292	1.8
225.12740	2.4
227.14368	3.9
233.15388	4.1
237.12784	3.1
249.14932	3.7
251.14433	1.7
255.13776	6.8
259.13162	1.3
261.14935	1.3
271.16898	2.5
273.14838	19.9
283.16907	1.5
287.16592	2.3
299.16370	1.7
321.22284	1.8
339.23264	5.3
349.21655	18.4
349.25629	1.7
357.24219	5.9
367.22705	41.9
385.23776	34.6
403.24954	10.2
405.24274	2.6
441.26578	5.8
459.27454	100.0
460.27341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	4.7
55.05497	11.7
67.05505	19.9
69.03419	11.0
69.03761	2.9
69.07066	14.7
70.06586	6.1
71.04992	4.9
71.51761	3.2
79.05492	7.9
81.03403	9.9
81.07058	20.6
83.04996	13.4
83.08616	9.8
85.02895	8.7
85.06479	4.1
91.05482	8.9
93.07030	11.0
95.04984	2.8
95.08611	35.1
97.02883	5.0
97.06561	5.2
97.10160	3.9
98.84066	2.9
99.08092	7.5
99.94648	2.7
102.30273	2.6
105.07042	8.1
107.04974	3.6
107.08611	19.0
108.33246	3.0
109.02871	5.2
109.06519	11.2
109.10159	100.0
111.08099	4.6
114.55655	3.3
119.08582	30.1
121.06567	3.3
121.10144	8.6
123.04496	6.0
123.08087	17.3
123.11721	8.0
125.09505	3.4
133.10127	21.1
135.11699	87.8
137.09647	13.4
139.03909	3.5
147.11705	3.3
149.13268	6.0
151.11201	5.5
151.14780	11.2
159.38634	2.9
167.07085	5.8
175.14824	39.4
189.09062	2.7
193.12172	2.8
193.15887	53.3
211.16937	90.7
217.06277	3.3
249.11266	4.1
385.23727	3.4
411.19308	3.0
459.27484	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58826	1.5
53.03944	3.5
55.01846	3.7
55.05519	8.5
56.16941	1.6
57.03419	3.1
57.07079	2.5
60.42074	1.5
62.86673	1.4
67.05507	16.9
69.03436	13.8
69.07064	13.8
70.06590	3.4
70.76027	2.4
70.76351	3.4
71.04981	5.4
79.05485	4.9
81.03433	8.5
81.07056	19.2
83.04979	8.8
83.08607	7.3
85.02913	20.0
85.06538	5.1
87.00820	7.0
87.17704	1.6
90.72753	1.5
91.05461	4.2
93.07047	14.2
95.05000	2.0
95.08611	31.6
97.02877	5.7
97.06567	1.8
97.10197	2.5
99.04447	2.2
99.08086	9.1
105.01875	5.6
105.07043	8.9
107.08598	19.7
108.53585	1.8
109.02868	5.9
109.06530	10.8
109.10162	100.0
111.08050	4.1
119.08582	36.6
121.10150	10.6
123.04420	2.6
123.08100	12.8
123.11669	9.8
125.09632	2.1
127.03931	11.7
127.11189	1.8
130.49281	1.6
131.08524	2.0
133.10149	18.6
135.11699	91.9
136.12019	3.0
137.09625	15.0
139.03886	2.7
144.56615	1.5
145.04961	3.0
145.10136	1.9
149.13229	9.0
151.07515	1.8
151.11182	7.5
151.14853	9.0
165.16418	3.6
175.14838	44.8
187.58859	1.7
189.75996	1.9
193.15889	71.9
211.16949	58.9
254.05287	1.8
296.26865	1.9
459.13452	2.1
459.27072	2.8
481.78067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02873	2.0
66.62016	2.3
69.03426	5.2
70.06602	5.7
71.04962	3.1
71.50808	3.9
81.03388	2.3
84.08153	5.0
85.02876	6.0
86.06026	2.6
89.03931	4.6
91.05479	5.5
97.02892	8.0
100.00099	3.1
101.00895	7.4
117.03408	12.3
117.04044	2.4
118.01109	4.4
118.03718	4.2
119.01962	14.8
119.04946	7.6
122.03656	3.1
125.57031	2.6
127.02401	2.6
127.03877	2.8
131.01892	11.4
137.05998	33.8
137.15762	2.6
142.01154	5.5
143.01918	14.5
145.02745	27.6
145.07628	30.7
146.03159	9.3
146.08090	3.5
147.04410	23.7
149.05920	3.1
153.01921	4.0
155.01894	9.3
156.02724	6.2
157.03477	7.4
160.02229	7.2
161.03006	19.6
163.08705	4.6
168.02705	5.7
169.03398	5.8
173.02957	10.0
177.04056	4.5
177.05449	39.0
178.00993	3.8
178.05833	17.1
181.03458	9.7
184.02168	3.1
185.03043	4.0
186.03667	2.9
187.04506	6.9
194.04298	4.8
195.05042	20.0
196.02165	10.4
197.02986	7.8
203.03931	11.9
205.03450	6.0
210.03552	3.7
218.04161	8.1
219.05042	30.3
220.02356	2.8
220.04866	2.4
221.03032	4.7
221.05014	19.8
222.03755	7.5
223.04460	6.4
226.03183	3.0
231.05070	8.1
233.06699	2.8
235.04521	3.3
236.05003	7.2
237.06090	23.1
244.04294	100.0
245.04683	7.1
246.03786	8.8
247.04604	6.3
248.05270	2.7
249.06082	5.8
259.04517	9.8
261.06281	21.3
262.05420	12.1
264.04861	18.7
265.05508	4.8
267.07236	2.8
279.07211	21.7
279.13370	9.6
289.94452	3.1
291.07251	4.8
297.08279	6.9
297.14444	3.0
300.04782	3.3
302.09412	4.3
307.06689	25.0
309.08121	5.9
310.06314	3.7
320.07428	4.5
321.08231	28.1
328.07260	4.1
333.08316	2.6
336.06866	12.1
346.08578	4.2
348.06924	70.3
349.07330	6.5
351.09195	5.9
363.09302	43.7
364.09534	12.9
366.07959	8.5
369.10416	6.7
372.06317	3.0
381.10327	99.1
382.10699	3.6
399.06479	4.7
399.11398	67.1
417.12317	5.8
441.13065	3.2
459.06589	4.3
459.13446	14.4
459.19711	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	457.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76341	1.6
53.03942	2.0
55.01868	1.8
55.05524	3.1
57.01873	1.8
58.63480	1.8
58.78368	1.8
62.20552	1.5
67.05511	5.4
69.03429	6.0
69.07080	2.8
70.06591	3.0
71.04995	1.8
72.08175	2.3
78.33508	1.7
79.05497	7.1
81.03432	4.0
81.07060	7.6
83.04970	3.7
83.73643	1.7
85.02925	6.0
91.05510	9.3
93.07053	7.1
95.04978	5.2
95.08621	4.9
97.02898	4.4
97.06537	3.0
105.01875	1.7
105.07059	10.0
107.04964	3.3
107.08606	21.4
109.06544	2.2
109.10174	5.1
114.10370	2.3
117.07010	3.3
119.08565	5.6
121.06511	3.0
121.10156	11.2
122.07310	5.0
123.04437	11.2
127.03880	2.2
131.08603	2.9
133.10147	100.0
134.10440	2.0
135.08046	9.4
137.09637	49.4
139.03937	8.4
143.08501	1.8
147.04410	2.4
147.08032	2.1
147.11710	2.3
149.12221	1.9
149.13255	10.0
151.03897	2.3
153.01979	1.9
153.48853	2.5
163.03867	3.8
169.80873	2.0
173.13258	6.8
191.14325	43.1
209.10016	2.2
209.15407	4.5
215.01379	2.1
235.13254	1.8
311.65860	2.1
387.82303	1.8
457.24521	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	455.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05517	58.7
57.03443	8.3
57.07079	22.1
65.03941	2.4
67.05510	81.8
69.07075	71.6
71.08642	10.9
71.25149	3.3
79.05498	27.6
81.07064	100.0
82.16403	1.5
83.04996	3.7
83.08622	40.0
85.10196	4.6
85.18674	1.7
91.05497	8.8
93.07059	24.1
95.08616	89.3
97.06540	4.8
97.10180	34.0
99.08099	3.6
105.07032	5.6
107.08604	21.8
109.06546	2.5
109.10166	45.2
111.08076	4.4
111.11717	9.7
117.07088	2.7
119.03426	4.1
119.08624	4.5
121.10159	27.9
123.08081	1.7
123.11726	18.8
125.09663	2.3
125.13325	3.5
131.08563	3.7
133.10143	7.3
135.11708	20.5
137.09660	2.1
137.13251	9.7
139.14848	2.0
145.10129	4.6
146.79822	1.7
147.11708	5.8
149.13258	9.6
151.14792	2.9
159.11702	4.1
161.13292	3.8
163.14848	5.1
165.16490	3.3
175.14941	2.4
177.16475	2.2
179.18001	2.1
191.17978	1.9
193.19501	1.8
200.38741	1.6
247.24405	2.3
249.22308	2.0
265.25250	2.6
274.91672	1.6
317.32141	9.9
327.30487	11.4
335.20193	1.9
345.31589	24.1
363.32608	31.6
381.33511	2.4
437.36377	17.1
455.37436	53.8
456.37933	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	455.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01881	8.4
55.05516	100.0
57.03449	9.3
57.07083	66.5
59.05024	2.2
62.13409	1.8
65.03928	2.2
66.88430	1.7
67.05511	50.9
69.03424	3.9
69.07074	42.3
69.35910	15.4
71.05016	2.2
71.08245	2.5
71.08640	45.7
74.65973	2.0
79.05502	43.7
81.06591	3.8
81.07064	67.5
83.04978	7.3
83.08629	54.9
85.10190	31.9
91.05489	5.5
93.07063	8.5
95.04949	2.0
95.08620	58.6
97.06576	2.8
97.10178	67.2
99.08120	2.0
105.07045	4.1
107.08611	24.8
109.10174	34.3
111.11749	4.1
119.08589	4.1
121.10169	5.3
123.11722	14.6
125.09636	63.6
125.13308	2.7
133.10144	2.5
135.11711	4.5
137.13268	5.6
143.10675	15.5
145.10158	4.4
149.13179	2.6
157.10045	2.2
178.60947	1.9
199.13297	12.3
221.22691	3.7
239.23694	28.5
259.72260	2.0
313.27518	6.1
345.31592	5.1
363.32791	6.5
378.96185	2.0
437.35242	3.7
455.37402	97.7
456.37784	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	455.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
54.13625	1.3
55.05272	2.4
55.05513	33.8
57.03446	17.0
57.06793	2.2
57.07078	43.7
59.05014	1.8
65.20634	1.4
66.89153	1.3
67.05506	36.3
69.07068	47.2
71.05001	3.6
71.08633	29.6
71.51628	2.5
73.06573	1.6
77.94971	1.4
79.05488	13.6
81.07059	51.1
83.04982	2.8
83.08621	35.2
85.06541	3.6
85.10180	16.5
91.05472	1.9
93.07048	19.7
95.08610	49.7
97.06532	11.3
97.10174	29.7
99.08083	1.7
101.06092	2.0
105.07033	3.0
107.08610	17.0
109.10155	25.6
109.10841	1.9
111.08109	6.1
111.11720	8.2
117.07036	1.6
119.08573	2.5
121.10146	20.8
123.11725	10.9
125.09628	5.2
125.13280	2.9
129.09135	2.6
131.08534	2.3
133.10118	2.0
135.11690	15.2
136.31535	1.3
137.13297	5.4
139.11189	7.3
143.10713	2.2
145.10098	1.6
149.13263	9.7
151.14844	1.5
153.12747	5.0
163.14838	5.8
167.14389	4.0
171.13913	2.6
177.16447	2.9
191.18025	2.3
195.17577	2.6
199.16949	2.6
205.19621	1.3
209.19035	1.7
223.20529	2.7
237.22092	2.1
283.26379	1.4
317.32062	4.8
327.30344	2.3
335.33029	8.9
345.31619	7.3
363.32562	24.6
381.33585	2.5
399.34692	33.3
437.36386	9.5
455.37366	100.0
456.37723	3.1
456.44217	1.7
457.02396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.4
57.07082	41.0
63.41061	1.1
64.76774	0.9
67.05496	2.1
69.07066	2.4
69.38343	8.9
71.08640	26.5
73.06561	5.8
83.08630	1.9
85.10193	21.5
87.04446	3.8
88.79353	1.2
89.06042	100.0
91.05487	1.3
95.08634	1.1
97.10170	2.4
99.11720	4.3
107.07083	2.3
109.10201	1.0
113.13334	1.6
117.09129	2.1
130.08623	1.8
133.08618	48.9
141.53107	0.9
155.17950	3.5
177.11234	17.6
195.12259	2.3
199.20555	3.7
221.13922	2.2
227.79724	0.9
237.16634	0.8
239.14894	2.0
243.23210	7.7
283.17599	12.9
287.25793	2.8
310.95877	1.2
349.29324	1.4
393.31927	2.2
436.33478	1.0
437.34763	15.2
454.34106	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2268
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
53.63634	0.6
55.01818	0.7
55.05482	1.2
56.96520	0.8
67.05445	1.9
70.06568	1.4
71.51486	0.7
71.51913	0.7
72.08125	0.7
79.05443	1.5
81.03379	1.2
81.07002	2.0
83.04942	1.0
85.02877	1.6
91.05422	1.1
93.07008	1.1
95.04908	0.7
95.08569	1.6
97.06484	1.4
98.97392	0.7
100.05659	0.6
100.11204	0.9
104.45571	0.6
105.06971	1.1
107.04907	1.0
107.08539	1.7
109.10108	1.2
111.04407	0.7
111.73785	0.7
114.10247	1.2
119.08532	0.8
121.10119	0.7
122.91323	0.6
123.04375	2.1
123.50355	0.7
132.05675	0.7
133.06425	0.7
139.03876	1.0
147.04356	0.7
150.10001	0.6
151.03870	1.3
161.06113	0.6
167.06929	0.8
187.08929	0.6
191.07010	1.4
210.14908	0.9
293.17249	100.0
294.17517	2.1
455.22568	80.6
456.23166	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	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05507	3.7
57.03443	4.3
57.07082	22.5
62.05796	1.3
62.06096	21.5
63.93319	0.8
67.05513	6.4
69.07064	3.0
71.08637	15.8
79.05502	1.8
81.07066	5.8
83.08622	5.4
85.10184	8.3
89.06080	1.2
93.07076	1.2
95.08602	7.1
97.10172	2.3
98.98476	5.9
109.10160	4.9
123.11743	1.2
124.01614	1.0
146.10464	1.0
155.01071	5.7
167.80629	0.9
198.05386	1.6
212.14017	1.0
216.06331	2.3
239.23715	1.8
282.27936	12.0
313.27390	100.0
314.27621	2.6
319.46600	0.9
393.23895	3.8
436.28049	1.8
436.33478	1.0
454.33966	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	454.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41806	0.8
53.03929	0.8
55.01862	2.2
56.96569	0.8
62.06094	25.9
65.03936	1.3
67.05501	1.7
69.93591	3.2
77.23308	0.6
79.05494	3.0
91.05485	20.0
93.03452	0.9
93.07028	1.6
95.04987	2.1
103.05454	2.5
105.03391	1.0
105.07032	7.5
107.04963	2.0
108.05739	1.9
109.06511	1.1
110.50538	0.7
111.04447	0.8
118.04157	1.6
119.04945	26.9
121.06509	2.1
123.04449	6.5
123.08109	4.1
125.06015	1.7
127.07556	2.5
133.02878	1.2
133.06508	7.0
135.04440	3.6
136.05183	2.6
137.05974	2.2
138.03073	1.3
139.03915	10.9
145.02890	1.0
146.03645	0.9
147.04419	59.7
148.04709	1.1
149.05989	2.0
151.03941	1.5
151.07545	18.9
151.08673	1.3
153.05469	16.0
153.32550	0.7
155.07095	0.9
161.05998	2.8
163.03918	5.4
165.05493	2.8
166.06297	0.8
167.07086	4.7
168.07764	1.5
173.06012	1.4
177.05415	4.7
178.06247	2.5
179.07043	100.0
180.07454	1.3
181.08571	0.9
183.06575	1.4
195.06554	2.8
196.07327	2.0
197.08101	19.7
197.09810	1.4
198.08842	0.8
205.08577	1.6
223.09645	1.9
227.02435	0.9
276.72324	0.7
291.08508	1.0
345.02829	1.0
454.20697	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60815	0.5
55.05498	2.3
55.05727	0.5
67.05492	0.7
69.07064	0.6
69.78475	3.1
70.06582	1.1
78.38562	0.5
79.05501	1.1
81.03415	0.5
81.07062	1.6
83.01093	1.1
83.08617	0.8
84.01878	0.6
85.02896	0.7
86.09690	0.6
91.05486	1.1
95.01078	2.5
95.04957	0.7
95.08587	0.6
96.01863	0.9
100.11266	2.9
103.05460	0.5
105.03378	0.6
105.07024	0.7
107.04997	1.1
107.08569	0.6
109.02865	0.7
109.10136	0.6
109.83970	0.4
111.00558	0.5
111.04406	0.8
112.01347	0.7
113.02126	3.9
114.18192	0.5
119.08555	0.7
123.04422	5.5
126.02905	0.8
131.04904	0.7
131.08539	0.6
135.04369	0.9
137.05971	0.9
139.03894	1.9
147.04376	1.6
151.03925	3.2
163.03909	1.4
165.05476	1.0
165.09204	0.5
167.03033	0.6
176.04477	0.7
177.05473	0.6
181.04933	0.6
181.30916	0.5
182.15424	1.5
184.07384	0.6
185.04236	4.5
193.04878	0.8
201.03630	1.0
201.05261	1.5
203.05309	0.5
209.16547	0.6
210.14909	1.6
216.07578	13.8
217.08293	0.7
219.06339	0.7
227.17564	0.5
231.96185	0.5
259.07874	1.9
259.10034	0.8
285.07623	0.8
291.12393	0.9
291.15634	6.4
303.08707	8.3
382.12259	0.9
422.15265	1.1
453.17264	100.0
454.17563	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1394
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.94778	1.3
55.01876	2.0
56.96579	2.5
58.39963	1.5
61.02927	2.9
63.64195	1.3
67.92818	1.4
68.99773	1.8
69.03429	5.4
69.81996	1.6
71.09908	2.6
71.10258	2.3
71.37807	1.5
81.03401	2.6
83.04984	1.8
84.08140	1.4
85.02911	17.8
86.28437	1.5
87.04530	1.3
91.05475	2.9
95.04982	2.0
97.02887	5.0
103.05454	1.8
109.02897	2.6
111.04440	3.1
119.04938	5.3
120.08112	1.6
121.06511	4.1
122.06025	1.8
123.04440	65.5
126.59338	1.3
127.03915	5.5
128.23972	1.5
135.04401	5.5
139.03915	100.0
143.04906	2.0
145.05013	2.8
147.04431	17.0
149.05888	1.7
151.03915	8.0
153.01868	1.9
154.04997	6.0
155.05273	2.0
161.06006	3.6
162.09174	1.5
163.03914	12.7
165.05481	15.1
177.05484	3.6
179.00131	1.8
179.07161	2.0
181.04939	5.2
187.39828	1.7
188.15482	1.5
197.01233	2.3
201.05536	2.1
205.04895	5.3
207.06659	2.3
224.37006	1.5
235.05957	1.8
237.00632	1.9
247.06071	6.3
257.04480	2.8
273.07574	8.0
283.08289	2.2
291.08636	16.5
301.03574	4.3
301.09650	2.1
310.04279	2.7
453.18790	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	452.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76672	0.4
55.01849	0.9
56.04271	0.5
62.06089	0.7
69.19305	0.5
70.62673	1.1
70.63005	1.1
79.05499	2.9
91.05486	5.5
93.07072	0.5
94.04147	0.6
103.05492	2.5
105.07034	13.2
107.04934	1.3
108.05701	0.5
109.06520	1.0
115.05449	1.4
118.04169	4.1
119.04932	6.9
120.05700	0.8
121.06498	1.6
122.07295	0.6
123.04417	0.6
123.08065	1.4
124.05195	0.8
131.04950	0.8
133.02827	1.1
133.06499	14.8
134.07321	0.5
135.04379	1.8
135.08037	2.0
137.05978	6.6
147.04427	8.1
148.05086	0.7
149.05998	2.3
150.06763	8.3
151.07570	3.6
152.08325	1.1
159.83466	0.6
161.05968	3.2
163.07454	1.1
165.05450	0.6
165.09128	9.5
167.07076	6.4
169.08473	0.5
178.06250	1.3
179.07053	4.8
181.08646	1.0
184.17422	0.6
190.05875	0.5
193.08611	48.3
194.08977	0.5
207.10165	0.6
211.09659	100.0
212.10075	1.8
233.19746	0.6
249.05890	0.7
336.14142	0.5
341.13718	2.3
373.16492	0.7
452.22824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20338	1.7
53.03938	3.2
53.57887	1.4
55.01880	3.0
56.46157	1.5
56.56833	1.4
63.50309	1.6
63.90062	2.1
63.90442	1.4
65.03967	1.7
68.09367	1.6
70.63876	3.6
70.64232	2.1
75.04469	1.5
77.03883	1.6
79.05503	6.2
91.05481	17.2
91.34593	1.6
93.03417	3.7
93.07040	3.4
95.04958	3.9
103.05465	20.7
105.07019	6.4
106.04166	11.4
107.04970	40.2
107.99976	1.5
115.05470	4.6
117.06997	4.3
119.04964	5.4
120.05742	1.5
121.06506	18.8
123.04449	3.5
124.05276	1.9
125.05991	4.5
127.02239	1.5
129.07004	6.0
131.04929	19.2
131.08568	3.0
132.05722	7.0
133.06503	6.7
134.03636	3.1
135.08061	9.5
137.05952	9.1
146.07251	4.3
147.04410	1.9
147.08015	2.3
148.05226	9.1
149.05994	21.5
151.07555	4.7
153.09105	3.6
157.06487	4.9
160.05116	2.4
161.05997	82.3
161.09615	19.8
163.04050	1.7
163.07544	45.4
165.05486	6.1
167.07053	48.9
174.06789	5.8
175.07564	8.8
177.05467	16.4
178.92467	1.7
179.07053	7.1
180.07785	15.1
181.08615	28.6
182.09203	1.6
189.09103	62.2
191.07033	24.0
192.07825	15.1
193.08612	2.7
207.10173	100.0
209.08105	34.5
210.08624	3.1
219.10223	4.8
222.40866	1.9
223.36380	1.7
236.94882	1.7
248.65143	1.8
255.10193	1.7
257.11856	2.4
285.11340	2.5
309.85568	1.6
311.12860	1.8
317.13828	4.3
331.15344	2.1
341.13870	6.8
343.15436	6.5
361.16449	23.6
373.16629	8.4
425.30508	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01871	3.7
61.54026	1.5
62.06072	2.2
62.30519	1.2
65.03933	1.4
69.45919	1.3
75.04474	1.4
75.06876	1.1
78.04710	2.9
79.05489	5.0
83.31646	1.4
89.03924	2.0
91.05487	16.1
93.03415	4.1
93.07042	3.8
93.47637	1.2
95.04955	2.5
98.20731	3.1
101.71697	1.2
103.05474	20.7
105.07050	6.9
106.04182	8.5
107.04960	44.0
114.79655	1.3
115.05462	4.4
117.03389	2.0
117.07026	2.5
118.04188	1.9
119.04997	6.3
119.05761	1.2
120.05737	1.8
121.06514	15.8
123.04437	2.9
125.05992	2.4
128.06224	1.7
129.07007	5.5
129.55281	1.5
131.04930	17.0
131.08531	1.6
132.05693	8.1
133.06531	4.3
134.03647	2.2
135.04388	1.7
135.08041	7.8
136.86971	1.5
137.06006	10.4
145.06493	2.4
146.07266	3.1
147.04375	1.6
148.05222	6.9
149.05989	19.1
151.03778	1.3
151.07541	6.4
153.09085	3.6
157.06525	2.8
159.04385	1.6
159.08051	1.5
160.05237	1.7
161.05986	83.8
161.09630	21.3
162.68741	1.4
163.03963	1.6
163.07547	41.6
165.05484	5.9
165.09207	1.4
167.05640	2.6
167.07050	45.9
174.06790	3.2
175.07578	5.6
177.05464	16.8
177.09021	1.5
179.07036	4.7
180.07808	13.8
181.08617	28.7
182.09526	1.7
189.09108	47.6
190.09396	1.7
191.07024	23.0
191.08627	2.3
192.07813	14.4
193.08594	2.6
207.10175	100.0
208.10579	1.4
209.08101	32.7
219.10135	5.3
229.24422	1.6
285.11218	4.1
315.12216	3.3
317.13864	4.3
329.13742	3.5
341.13721	7.1
343.15518	6.3
361.16452	19.7
368.08322	1.4
373.16565	7.3
375.53152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75425	11.1
57.03423	23.8
66.28941	11.9
69.03439	87.4
80.55470	10.8
85.02908	71.1
87.04490	61.3
90.94827	12.2
97.02905	83.2
105.66523	12.2
109.02875	27.3
115.03945	89.1
117.03391	12.7
123.04430	24.0
133.04979	100.0
136.03983	14.9
141.05467	32.5
147.04408	18.4
150.07663	17.7
154.04997	43.6
163.03891	21.5
165.05513	39.0
166.06180	14.2
191.06844	12.1
237.07574	21.7
280.07986	19.1
315.01074	15.8
331.48679	12.6
351.98663	12.0
443.73868	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	452.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52149	6.2
55.81077	4.4
56.96557	6.6
57.03424	20.3
59.04987	5.0
61.02935	7.4
69.03429	80.6
71.04984	5.7
71.50675	6.0
78.47402	4.3
81.03400	8.6
81.07063	4.8
85.02906	54.7
87.04469	48.7
95.06068	6.5
97.02892	66.8
109.02858	31.2
109.74255	4.4
111.05553	17.8
112.05901	7.5
115.03936	71.4
115.96518	4.6
118.78134	4.2
123.04420	12.9
123.05528	8.9
124.05881	6.3
127.03951	11.1
133.02821	6.6
133.04970	100.0
136.03822	4.5
139.03802	5.1
141.05481	17.9
141.06598	24.1
142.06929	8.3
145.04991	5.7
147.04428	5.4
148.04657	4.6
150.07648	10.7
154.04984	50.5
165.05490	12.8
168.99576	6.6
177.05434	11.1
183.01317	4.9
187.73773	5.5
201.02174	35.6
211.60294	4.5
213.62883	5.1
216.16145	4.4
240.14116	8.2
267.08426	4.6
271.16556	17.1
272.16803	34.5
280.08231	11.4
290.06738	8.2
290.18042	6.8
298.09344	5.3
308.10367	4.7
312.72360	5.3
364.60718	4.9
434.22125	15.9
452.22864	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	452.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
53.29696	0.3
68.22493	0.2
69.03447	1.4
69.03759	0.3
70.79555	0.6
78.50687	0.2
80.05026	0.6
81.03415	0.5
85.02924	1.1
91.59402	0.2
92.05011	7.0
95.01333	0.2
97.02898	0.3
99.04440	0.5
108.04488	1.9
109.02921	0.4
116.83449	0.2
121.06572	0.2
123.04478	1.1
127.03932	1.0
136.03929	6.3
137.02365	0.4
139.03940	0.5
143.22552	0.2
147.37059	0.2
150.98436	0.3
154.05002	100.0
155.05360	1.2
186.95099	0.2
210.71017	0.2
280.08179	22.5
281.08502	0.6
298.09204	4.3
427.44714	0.2
452.11905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.124
Annotation	3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside
Peak:m/z	Relative Intensity
57.01914	5.7
57.03425	17.2
58.12889	5.2
58.34254	5.5
69.03432	47.3
69.92350	26.7
70.06592	24.4
71.04994	100.0
75.04502	9.9
81.03417	7.9
81.76188	6.7
85.02913	98.3
86.09699	14.1
91.05481	12.8
93.03464	6.3
97.71871	6.8
98.09701	9.4
105.07022	8.8
106.04195	11.9
107.05000	11.2
111.04493	6.2
123.04453	72.7
125.00040	6.8
127.03891	5.8
129.05463	20.5
133.06528	7.1
135.04431	18.7
137.06023	9.9
147.04424	15.0
149.02342	23.1
149.05943	14.2
150.06345	11.3
151.03918	9.5
153.01842	45.8
162.96387	6.0
163.03932	25.3
165.01791	10.8
177.01913	8.0
177.05460	13.3
179.03352	9.5
184.07332	12.9
187.03928	6.8
191.03419	12.2
193.08562	12.8
195.02911	26.1
203.03395	7.8
209.08076	31.2
210.08501	25.3
211.09688	30.2
213.05537	6.4
215.03403	8.7
219.02925	8.2
231.06602	9.7
245.04454	8.5
247.02879	6.7
255.06483	15.3
259.05960	16.6
263.05539	29.1
271.06024	8.9
283.06189	12.2
287.05472	22.5
289.06979	29.7
301.07199	16.5
305.06552	33.7
311.05380	6.7
317.06915	6.8
325.07028	12.0
329.06506	7.1
347.07343	8.0
371.07794	10.8
397.09149	9.1
415.10233	7.0
432.66129	7.3
433.11490	8.6
437.85327	6.3
451.12503	11.7
451.25079	24.3
451.32507	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	451.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39726	1.5
56.96557	3.2
57.03435	3.9
59.04998	2.9
59.27222	1.3
61.02934	7.5
68.05004	1.9
69.03439	12.2
69.90762	1.4
70.06599	3.3
71.04987	5.9
71.50676	1.4
71.51083	2.2
72.96065	1.5
73.02872	1.6
79.05455	2.2
79.89650	1.6
81.03426	3.5
81.04534	9.5
81.07055	11.3
82.05315	3.9
83.01376	1.5
83.06101	1.8
84.04494	2.8
85.02922	13.6
87.04474	3.9
95.06104	14.6
97.02912	7.2
99.04468	2.4
107.06073	2.1
109.02840	2.9
111.04823	2.9
111.05571	44.0
115.03928	2.3
115.88576	1.6
116.07080	4.5
119.04924	4.5
123.04598	2.5
123.05556	39.4
125.07105	3.6
127.03893	3.5
136.07585	3.7
141.02249	1.8
141.06593	72.6
145.02861	2.7
147.04416	1.7
156.04773	2.5
159.03342	1.8
163.03944	1.8
163.12309	4.9
167.00159	2.1
177.05450	3.5
185.01231	5.4
191.02216	1.8
191.11797	2.8
193.13403	1.8
201.00748	2.1
202.98431	2.3
203.02219	1.9
209.12862	7.9
219.08026	3.8
221.12859	15.8
234.99068	2.9
239.13965	24.4
241.15451	12.6
253.15396	2.3
255.17036	2.5
271.16541	100.0
275.00906	1.8
275.04672	1.4
289.17587	29.6
293.01611	2.6
344.06808	3.1
359.60883	1.5
433.21860	29.1
451.22943	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.5
69.03429	72.3
70.53747	12.1
70.54115	13.0
71.05001	100.0
85.02907	98.7
111.04427	10.6
116.46884	6.2
123.04440	92.5
129.05476	25.5
135.04436	30.3
137.02379	12.8
137.05965	11.4
139.03915	11.6
149.02359	18.7
153.01848	36.9
158.20580	8.4
159.04378	6.7
163.03876	16.1
165.01820	47.8
169.31572	8.2
173.02257	14.8
177.01892	14.4
181.06477	8.1
191.03316	10.8
195.02899	58.9
203.03409	11.3
217.05002	6.9
219.02913	27.9
231.06633	16.5
245.04494	28.9
255.06543	18.9
259.06104	18.1
263.05469	56.7
271.05954	7.6
273.07690	7.8
279.90216	7.1
281.06506	14.5
283.05859	14.9
297.07788	11.6
299.07672	21.1
301.07123	18.8
305.06696	24.6
311.05539	12.9
325.07172	12.0
329.06512	15.5
347.07684	17.8
351.08093	10.0
369.09735	10.4
397.09671	11.7
415.10019	11.5
451.12082	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	451.1237
Annotation	(2R,3R)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside
Peak:m/z	Relative Intensity
52.54991	7.2
57.03418	23.1
69.03434	77.0
69.72324	22.6
69.72746	23.7
71.05000	64.1
85.02906	86.3
98.21491	15.5
101.15112	7.9
107.04948	12.7
121.70090	7.6
123.04432	100.0
129.05479	12.8
133.02811	9.6
135.04445	16.2
153.01848	29.2
161.02438	7.5
165.01820	33.2
173.02356	19.8
177.01894	16.8
183.02914	8.0
191.03430	14.7
195.02888	49.4
203.03314	9.3
219.02934	21.2
219.06680	8.8
245.04369	16.7
245.66548	7.5
255.06561	20.4
257.04700	8.5
259.05981	21.7
262.33823	7.7
263.05515	31.9
273.07739	8.5
281.06647	12.7
283.05969	23.4
287.05490	9.4
297.07651	11.7
301.07013	20.1
305.06458	14.9
311.05511	10.8
317.64331	7.3
325.07004	19.9
329.06802	11.5
347.07654	9.1
351.52859	7.2
369.09665	16.0
384.50400	9.0
387.10651	9.1
397.08960	16.2
449.06802	7.8
451.12454	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96913	1.1
68.90693	1.1
71.50356	1.9
111.05589	1.8
121.06457	1.5
130.08514	1.1
141.06563	2.3
191.24678	1.1
249.08339	1.9
271.16519	3.1
289.17624	1.4
387.11188	2.0
402.72525	1.3
433.11990	7.8
451.04858	100.0
452.05206	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	451.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87639	4.1
70.25369	11.9
76.37135	3.9
91.05557	4.6
119.01887	4.5
145.02773	7.3
147.04373	7.8
149.16673	3.9
151.22673	4.2
157.03479	8.1
169.03488	10.2
171.05011	5.4
175.04584	5.3
177.05432	8.8
187.04561	5.3
203.03920	5.5
235.06837	5.2
237.06151	6.0
257.04758	4.2
277.07831	5.8
419.10501	9.7
433.04590	6.6
451.04941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15422	0.4
53.03936	1.3
55.01866	1.4
62.06073	0.6
65.03944	2.7
67.05514	0.5
68.07491	0.5
69.95971	1.0
69.96364	0.8
75.04478	3.0
77.03899	0.5
78.04691	2.4
79.05486	1.8
81.03439	0.6
85.02913	2.3
89.03902	0.8
89.06041	1.4
91.05487	13.5
93.03409	10.7
93.07042	5.6
95.04972	3.2
97.06545	2.6
98.21408	0.7
103.05463	4.4
105.03371	0.7
105.04491	0.8
105.07011	1.2
106.04175	22.8
107.04970	1.2
109.06507	0.8
111.04429	0.5
117.03391	1.2
118.04236	0.7
119.04950	5.6
121.06510	24.3
122.03693	0.7
123.04414	1.0
123.08057	0.8
124.05206	0.8
125.06000	6.7
131.04903	1.2
133.02882	0.8
133.06496	0.7
134.03629	4.0
135.04463	0.6
137.05980	8.2
138.06775	1.2
139.07555	2.1
145.02837	1.3
147.04419	6.7
148.05180	2.4
149.05988	38.3
151.07518	2.1
152.08333	0.4
153.05502	1.3
153.09119	11.1
163.07555	1.5
165.05515	1.2
165.09119	1.0
166.06241	1.3
167.07030	0.7
177.05473	19.3
179.07129	2.2
181.08604	19.4
191.07024	1.2
209.08098	100.0
210.08488	2.1
237.38835	0.5
300.17865	0.3
339.12271	1.5
371.14832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01880	3.4
57.10712	1.2
65.03934	2.3
67.05493	2.0
68.07011	1.6
70.15831	5.1
79.05437	1.7
81.03423	3.9
82.35730	1.2
84.04505	3.4
85.02901	2.9
91.05479	3.3
91.35448	1.3
95.04985	3.8
97.02927	2.2
107.04990	2.4
109.02902	1.8
110.07175	1.4
119.04935	4.5
123.04433	34.1
123.05329	1.7
130.05019	3.2
135.04416	4.7
137.06015	2.1
139.03915	12.8
142.08685	1.6
143.04948	1.7
147.04414	16.7
148.06055	4.2
151.03917	88.2
153.05455	2.5
156.10155	1.8
161.05977	4.1
163.03941	4.0
165.05519	7.9
165.06879	1.2
167.07022	5.1
173.06000	3.0
177.05472	2.9
179.03452	1.9
179.06998	2.8
181.04977	5.5
190.07385	1.3
193.04988	5.4
193.08615	1.5
193.12292	2.0
207.06612	3.0
215.07028	1.5
243.06575	1.3
250.14420	2.3
259.11084	2.4
267.15891	3.0
271.11725	2.5
282.33026	1.6
285.07556	2.8
303.08655	100.0
304.08978	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	449.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03949	8.6
55.01867	4.1
55.05512	29.0
57.03448	13.7
57.07061	4.6
65.03944	6.4
67.05508	100.0
68.08553	1.2
69.06728	2.4
69.07069	30.3
71.01349	4.6
71.05002	9.2
71.08615	1.2
71.60101	1.2
73.02933	1.3
77.03898	1.9
79.05498	83.6
80.45394	1.1
81.03415	10.5
81.07059	97.8
83.04974	17.1
83.08619	14.1
85.06566	6.2
86.77180	1.3
91.05478	45.3
93.07047	96.2
95.04959	12.5
95.08607	23.3
97.06526	20.7
97.10152	7.4
99.08079	6.3
105.04521	3.4
105.07040	12.3
107.04964	3.2
107.07874	2.9
107.08597	56.3
109.06518	4.3
109.10174	6.7
111.08072	5.8
115.00832	1.2
115.05489	2.5
117.07041	12.4
119.08610	11.5
121.06538	4.2
121.10146	21.2
122.10523	1.3
123.11742	3.1
125.09641	3.3
129.06989	2.2
131.08592	11.2
133.10124	11.6
135.08054	2.7
135.11696	61.3
139.11195	1.4
145.10143	10.7
147.11703	3.2
149.13263	29.1
153.12773	2.0
159.11714	12.8
163.11197	9.6
167.30183	1.3
170.90749	1.4
173.13362	1.5
177.12755	6.9
181.12241	10.2
195.13803	11.2
199.62907	1.4
317.25290	1.4
357.24249	2.4
431.28030	2.7
449.29001	77.6
450.29462	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	449.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.0
53.32167	1.4
55.01869	4.5
55.05511	31.2
57.03439	15.8
57.07081	9.3
57.50168	1.5
65.03941	4.1
67.05507	100.0
69.07073	31.3
71.01369	3.8
71.04993	8.5
71.08641	4.5
71.51164	1.7
77.03908	1.8
79.05495	79.8
81.03442	7.3
81.07059	95.6
82.44461	1.5
83.04985	15.2
83.08623	17.6
85.06559	7.1
91.05489	42.8
93.07047	98.8
95.04991	13.2
95.08607	27.8
97.06527	21.3
97.10184	10.3
98.98467	10.6
99.04471	1.9
99.08099	4.6
105.04524	3.7
105.07046	14.9
107.04964	5.2
107.08592	56.1
108.08878	2.1
109.06535	4.1
109.10155	8.5
111.08054	9.3
113.00027	2.7
115.05512	1.6
117.07035	14.3
119.06065	1.8
119.08586	12.6
121.06561	3.3
121.10139	23.5
123.11726	1.6
125.09605	2.6
131.08545	7.3
133.10118	11.3
135.08116	1.9
135.11691	59.6
137.00034	7.9
138.47769	1.5
143.08659	2.2
145.10130	10.7
147.11723	3.1
149.13264	36.0
153.09088	2.0
153.12787	2.3
155.01042	9.8
157.10248	1.9
159.11682	12.4
163.11159	9.3
177.12802	5.9
181.12326	7.7
181.13736	1.6
195.13811	9.8
197.13251	1.8
207.14059	2.0
211.03609	2.6
254.23338	1.7
313.27490	5.5
313.68668	1.5
337.27560	1.9
339.23557	2.4
357.24277	4.2
375.25452	2.4
431.28177	2.7
449.29105	70.5
450.29404	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.4
53.03938	6.9
55.01864	3.0
55.05515	24.9
57.03440	11.8
57.07064	2.9
65.03940	3.7
67.05511	100.0
69.07070	27.6
71.01370	2.4
71.04979	4.8
79.05500	74.7
81.03425	9.4
81.07063	74.7
82.07410	1.8
83.04989	15.3
83.08627	15.0
84.93266	1.4
85.02914	2.0
85.06558	7.6
91.05492	41.0
93.07050	79.9
94.07370	1.7
95.04977	12.2
95.08620	23.4
97.06532	20.1
97.10185	10.3
98.21649	2.4
99.08109	4.6
103.05460	2.6
105.04505	2.5
105.07043	19.6
107.04974	3.2
107.08602	53.7
109.06533	2.8
109.10171	9.0
111.08090	7.0
117.07029	12.8
119.08627	10.7
121.06517	3.7
121.10160	23.3
123.11739	1.6
125.09668	2.8
131.08580	8.1
133.10121	9.1
135.08044	4.1
135.11707	55.7
143.08549	1.9
144.72812	1.4
145.10156	11.0
147.11685	2.3
149.13263	26.2
149.14391	2.3
151.11182	2.1
153.12712	2.0
157.10062	1.6
159.11700	10.7
163.11162	8.0
177.12842	4.1
181.12274	8.4
195.13789	7.9
249.12709	3.6
327.17493	4.1
375.25851	1.7
382.33514	1.6
405.22156	6.4
431.27975	2.9
449.29086	60.3
450.29614	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
53.83706	1.6
55.01863	3.2
55.05275	2.1
55.05515	29.0
57.03447	14.2
57.07068	6.6
65.03934	5.2
67.05509	100.0
69.06721	3.0
69.07072	33.2
71.01351	2.7
71.04982	8.3
77.04028	1.7
79.05496	81.3
81.03412	7.3
81.07061	89.6
83.04987	14.8
83.08628	18.0
85.06548	6.1
85.38324	1.8
91.05492	43.1
93.07052	92.0
94.37836	1.8
95.04963	10.2
95.08609	28.9
97.06544	20.0
97.10162	11.2
98.98479	5.4
99.08093	4.5
101.56396	1.9
105.04491	3.3
105.07038	14.8
107.04945	2.9
107.08606	58.7
109.06549	2.0
109.10158	7.9
111.08092	7.7
113.42940	2.0
117.07006	15.2
119.08577	12.5
121.06534	3.8
121.10139	21.5
123.62513	2.3
125.09663	2.1
131.08562	13.5
133.10129	13.6
135.08076	3.9
135.11705	60.7
137.00020	4.9
137.09625	2.6
143.08566	2.2
145.10138	12.8
147.11719	2.7
149.13266	29.9
155.01025	5.1
159.11688	12.9
163.11201	6.8
177.12744	5.8
181.12245	10.7
195.13797	12.7
199.13284	2.6
210.77603	1.8
211.03566	2.3
243.43050	2.1
313.27371	4.6
337.27643	2.2
339.22821	2.2
357.24207	3.0
431.27866	3.5
449.28989	74.4
450.29504	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.4
55.01860	4.5
55.05274	1.7
55.05516	28.3
57.03446	11.3
57.07066	4.2
63.86783	1.0
65.03934	4.2
67.05509	100.0
69.03426	1.6
69.07074	28.2
71.01359	2.2
71.05006	8.5
71.24979	2.6
74.85884	1.1
77.03915	1.6
77.89459	1.1
79.05499	75.0
81.03437	7.0
81.07062	96.0
82.07394	1.2
83.04989	12.1
83.08622	10.7
85.06538	8.0
91.05488	43.2
93.07051	89.9
95.04986	13.4
95.08613	23.4
97.06529	19.4
97.10163	7.6
99.04446	1.4
99.08099	4.1
105.04538	2.5
105.07034	17.9
107.04930	3.8
107.08605	47.1
109.06515	4.3
109.10154	6.6
111.08082	6.8
111.11712	1.3
117.07020	13.3
119.08614	9.2
119.09321	1.8
121.06510	3.3
121.10148	21.3
123.08042	2.5
123.11700	4.1
125.09643	2.7
129.07031	3.4
131.08597	9.4
133.10159	12.0
135.08095	3.3
135.11707	54.1
136.12070	1.1
137.09645	1.9
145.10149	9.2
147.11691	4.4
149.13272	25.9
151.11235	1.9
159.11690	12.3
163.11217	6.5
169.12286	1.3
171.11690	3.5
177.12762	5.1
181.12259	10.1
195.13870	8.8
199.13333	2.2
207.13785	3.4
239.60864	1.3
269.17667	1.4
318.04712	1.1
329.24908	2.0
357.23898	1.7
431.27985	3.0
449.29028	62.9
450.29315	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	449.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98652	1.3
53.03935	4.2
55.01870	6.6
55.05280	1.3
55.05519	19.2
57.03433	7.4
57.07062	1.8
60.05651	2.3
61.02911	3.5
65.03931	5.0
67.05510	38.7
68.99777	4.0
69.03423	4.5
69.07063	13.5
70.06605	6.7
71.04993	4.4
71.51127	1.8
71.99125	1.3
72.08141	2.2
73.02921	1.6
79.05070	2.3
79.05498	32.6
79.49640	1.3
81.03426	15.6
81.06590	2.4
81.07064	48.8
83.04973	5.2
83.08634	9.7
85.02887	3.1
85.06536	4.3
91.03951	3.5
91.04901	1.8
91.05487	32.8
93.07056	31.5
95.04979	25.9
95.08616	23.6
96.04533	7.2
97.02899	6.0
97.06516	7.1
97.10194	6.7
98.06018	1.6
103.05475	2.5
105.06397	2.4
105.07042	27.4
107.04980	7.9
107.08603	22.5
109.02856	1.6
109.06535	10.4
109.10187	7.9
110.21060	1.3
111.04444	5.5
111.08099	3.1
112.08751	1.4
113.17674	1.6
114.10293	2.7
115.05442	3.5
116.07172	1.6
117.07002	13.6
119.04912	2.9
119.08601	22.3
121.02900	2.9
121.06515	11.7
121.10156	11.9
123.04433	6.7
123.08090	4.7
123.11724	5.5
125.09646	6.4
128.06227	3.1
129.06999	9.1
131.04900	2.2
131.08588	13.8
133.06505	2.8
133.10147	9.7
135.08083	6.8
135.11694	5.4
137.06021	4.0
139.03914	74.0
141.06964	4.5
142.05035	8.8
142.07747	1.3
143.08595	8.0
145.06474	7.3
145.10107	9.5
147.04433	2.2
147.08051	5.3
147.11710	14.8
149.05988	2.1
149.09602	4.1
149.13228	3.8
151.03932	1.6
151.07541	2.4
153.05435	3.9
153.07086	1.5
155.08543	3.3
157.06422	2.1
157.10143	4.4
159.08052	4.1
159.11705	6.3
160.05219	2.8
161.06017	9.2
161.09579	2.8
161.13290	2.9
162.12801	3.8
163.03920	100.0
163.07538	5.6
163.11217	5.0
165.12787	3.4
167.08615	2.5
169.10135	3.7
171.07997	2.2
171.11684	4.1
173.05991	5.5
173.09583	2.3
173.13211	1.5
174.06725	1.5
175.07568	4.8
175.11874	5.4
177.05447	2.2
177.09116	2.5
177.12724	3.3
181.06487	2.1
181.10086	1.5
183.11761	2.3
185.09683	1.8
185.13307	3.5
187.07574	5.9
187.11169	2.1
187.14838	4.5
189.09093	11.6
189.11134	4.1
189.12746	2.3
191.10672	1.4
193.12256	5.0
197.05931	1.9
197.09660	1.8
199.07552	1.7
201.09129	6.0
203.10645	6.5
203.14400	1.7
205.12184	1.5
205.15836	2.1
210.06763	1.8
211.07666	3.0
213.09059	2.9
223.07611	2.4
223.13246	1.8
225.09113	4.0
227.10699	1.9
227.12694	3.2
229.08627	1.8
231.13701	2.0
233.09427	1.7
233.15411	2.2
239.10684	2.9
239.16345	2.5
245.15436	1.7
251.10712	2.6
259.17230	1.8
267.16016	4.9
273.18378	2.1
281.15430	5.0
282.05280	4.5
283.06100	3.6
285.07703	3.0
293.15451	4.5
295.06064	4.7
297.07767	2.7
305.15192	1.4
308.25818	6.0
311.09283	2.1
311.16443	2.3
313.10693	19.2
323.16583	2.1
325.10638	3.2
329.24686	3.4
337.10504	1.7
339.12286	2.9
339.23221	7.2
353.13806	2.0
357.24265	32.4
375.12122	2.2
375.25458	7.2
393.26013	1.5
403.29507	3.6
431.18576	5.1
431.27872	26.6
449.20291	8.3
449.29468	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01870	2.3
55.05516	5.4
57.03437	1.5
63.46219	0.8
65.03939	2.8
67.05508	12.3
68.99792	3.5
69.03436	2.7
69.07070	3.9
70.06610	1.2
70.20612	1.8
70.20999	2.4
71.53112	0.8
79.01872	0.8
79.05497	10.7
81.03414	2.9
81.07064	11.5
83.04972	3.2
83.08640	1.6
84.08109	0.9
91.05485	11.7
93.07054	12.9
95.04991	3.6
95.08607	6.9
95.42323	0.8
95.87943	0.8
96.04503	1.3
96.36099	0.8
97.02919	1.5
97.06502	1.7
103.05452	1.4
105.07048	7.7
107.04967	1.7
107.08598	7.0
109.06517	2.1
109.10153	1.9
111.00770	1.2
111.04440	6.7
114.10252	0.9
115.05474	2.0
117.07027	4.5
119.08582	5.7
121.02856	1.7
121.06550	1.2
121.10140	3.1
123.04441	7.3
123.08074	1.6
123.11710	1.1
128.06210	1.3
129.06990	2.8
131.04926	0.9
131.08569	3.8
133.06512	0.9
133.10168	2.5
135.04480	1.2
135.08052	1.4
135.11705	1.5
137.06004	2.7
137.09621	1.0
139.03914	100.0
141.06995	2.1
142.05009	2.1
143.08572	2.5
145.06493	3.7
145.10133	2.2
147.04388	1.8
147.08072	1.4
147.11705	1.3
149.05992	1.1
149.13254	1.5
151.03970	2.2
151.07532	1.1
153.05466	1.0
153.06979	1.5
155.08562	1.1
157.06535	1.8
159.08069	1.8
159.11690	1.3
160.05211	3.0
161.05968	5.6
163.03920	52.9
163.07549	2.6
165.05496	2.8
165.06992	0.8
165.09151	2.1
171.08162	0.9
173.06036	3.2
173.09529	0.9
174.06763	1.5
175.07530	5.1
177.09155	2.5
177.12714	0.9
179.08461	1.0
181.06477	1.2
183.08115	0.8
187.07579	4.3
188.08318	1.2
189.05516	1.2
189.09105	7.5
190.07774	1.5
191.08699	1.1
193.10117	1.0
195.07988	1.1
197.06049	1.8
199.07593	1.6
201.05505	1.3
201.09105	7.0
203.10707	3.7
204.09254	1.1
205.10248	2.0
207.08168	1.1
209.09637	1.4
210.06630	0.9
211.07561	3.1
213.09117	2.3
215.10669	1.9
218.07164	1.0
219.08078	1.4
223.07596	2.6
225.09171	3.6
226.09700	1.0
227.07057	2.1
227.10616	2.6
229.12267	1.3
233.09651	2.6
235.07631	1.9
236.00974	0.8
237.09200	2.0
238.09860	2.2
239.06998	1.1
239.10735	2.0
240.11281	1.0
243.10219	1.4
245.09572	1.1
246.10622	1.0
249.09172	2.0
251.07089	1.1
251.10637	2.8
252.11302	1.1
255.10179	1.1
265.08673	0.9
265.12112	1.0
266.05695	1.4
275.14392	1.9
279.06479	1.0
281.15417	3.7
282.05228	4.2
283.06018	3.8
283.16925	1.4
285.07578	1.5
293.15475	5.8
295.06058	6.1
296.06622	1.5
297.07486	2.0
299.09161	2.0
299.16623	1.5
305.15463	3.0
308.25693	1.1
309.07666	1.1
310.08548	1.1
311.09174	2.8
311.16428	3.1
312.09927	1.8
313.10724	12.8
313.13971	1.4
323.16452	2.5
325.10721	3.4
333.07809	1.1
337.10562	1.1
339.12277	2.1
351.12247	1.3
353.13983	1.3
357.24506	1.3
375.12289	2.6
431.18509	6.3
431.27704	2.4
449.19684	10.0
449.29700	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	449.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.07199	0.8
57.03419	1.3
61.02922	1.0
66.96946	0.9
69.03446	4.6
71.04977	2.0
71.08181	1.7
73.02909	1.7
79.01788	0.7
81.03416	6.6
85.02914	13.5
85.67838	1.0
97.02899	36.3
99.04464	11.9
103.03959	11.3
109.02884	6.3
110.34258	0.8
113.38452	0.8
113.59875	0.9
117.03358	2.3
125.02366	100.0
126.02710	1.0
127.03930	24.7
137.05948	1.9
138.49205	0.9
143.03409	96.3
145.02893	4.6
145.04991	8.9
153.01840	8.0
163.06041	1.4
177.05479	4.5
187.06044	1.5
206.70897	0.8
217.48482	1.0
248.98454	1.4
271.08044	1.2
303.83072	0.9
359.01907	1.1
394.80481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48294	1.7
55.05508	8.6
56.05839	2.4
57.07072	13.2
58.05718	1.4
58.07398	2.9
62.23872	1.7
67.05507	2.8
69.07073	18.4
70.07392	4.1
71.03972	3.4
71.08632	10.2
81.07051	4.3
83.08614	14.0
84.08957	3.8
85.10188	6.2
91.05470	2.5
93.07030	2.3
97.10168	11.1
98.10511	3.6
106.86537	1.6
107.08582	2.2
108.08943	2.0
109.10133	6.1
111.11720	5.6
119.08585	3.9
121.06522	15.0
125.13225	2.2
135.08061	4.5
136.08864	16.0
137.09616	16.1
139.07558	5.1
140.07846	3.2
145.24936	1.7
148.62416	1.9
149.02354	4.5
149.09595	2.7
150.02670	2.5
151.07599	2.2
152.08080	2.3
153.09247	1.9
154.09482	1.9
164.08351	33.1
165.09123	100.0
166.09496	4.8
177.09122	1.8
178.09694	1.6
181.08617	5.0
187.22046	1.7
191.10594	1.8
205.12256	8.5
228.67090	1.6
326.17578	1.6
430.38058	63.6
448.38824	15.0
452.82907	1.6
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	Quercitrin
Peak:m/z	Relative Intensity
50.61920	1.7
57.03437	2.3
61.45958	1.7
62.12482	1.7
69.03442	2.6
70.90201	1.8
70.90544	3.8
71.04996	30.5
71.90375	1.5
85.02435	2.6
85.02909	26.1
103.77498	1.9
106.99770	1.7
129.05499	5.0
137.02357	3.6
153.01848	4.9
165.01837	2.8
220.93459	1.9
229.04956	3.2
244.14307	1.9
287.05469	7.4
303.05014	100.0
304.05371	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	448.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80052	0.3
53.37710	0.3
54.47998	0.3
55.05500	1.3
56.85769	0.3
57.03424	1.0
59.75552	0.3
60.20254	0.3
60.26247	0.3
62.06095	0.5
67.99081	0.3
69.03440	3.2
71.04994	0.4
71.30563	0.3
71.51008	0.5
79.05482	0.8
81.07063	2.3
83.08610	0.5
84.04478	0.4
85.02904	1.8
87.04459	1.2
91.05467	0.5
95.08586	0.3
96.08051	0.4
97.02918	2.5
97.05267	0.7
98.06084	0.7
98.09719	0.4
108.08115	0.7
109.06523	1.9
110.06045	1.1
111.06812	0.7
115.03933	1.5
126.09152	0.8
133.04965	1.1
133.06445	0.4
139.03891	0.6
139.06271	1.3
153.09010	0.4
154.08640	100.0
155.08977	1.2
158.43416	0.3
163.07535	1.7
191.07042	1.5
223.09677	1.5
251.09135	0.9
254.28847	0.3
268.69623	0.4
277.11954	0.7
367.16144	0.4
387.68311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37432	0.6
56.05010	1.7
60.05633	1.5
70.06573	0.9
70.14713	0.6
70.25470	0.5
70.89924	1.2
70.90285	1.4
79.05471	1.0
83.06087	2.0
89.22368	0.7
92.04971	0.6
97.07643	0.8
105.03378	2.4
105.05752	1.6
111.05584	7.4
120.03648	0.9
120.04478	14.3
123.05521	1.0
126.06650	11.2
127.07363	0.8
132.04468	23.7
134.06021	10.0
137.04651	1.9
140.08199	1.3
146.02350	1.4
151.06148	9.7
158.05927	0.8
168.08798	2.8
185.07042	0.7
192.16046	0.6
202.09773	15.3
214.09703	0.7
216.11394	4.1
230.09254	10.8
232.10794	4.8
242.09273	4.9
257.10364	5.4
259.11920	84.8
260.12247	2.3
277.13062	2.9
284.11438	11.9
301.14105	9.9
302.12491	34.2
303.12796	0.8
319.15051	3.1
362.18268	0.7
406.17227	15.0
407.17450	0.8
413.15436	0.7
430.18631	1.5
431.17026	1.2
448.19446	100.0
449.19824	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	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53954	1.6
53.03936	7.4
55.01876	5.8
55.05517	33.5
57.03441	13.4
57.07063	2.2
61.02919	2.0
65.03931	2.5
67.05506	69.7
69.03426	6.9
69.07070	21.5
71.01360	3.3
71.04980	5.5
71.06267	4.0
71.06612	2.7
79.05497	71.3
79.05962	3.9
81.03423	98.1
81.07059	48.6
83.04981	13.5
83.08624	28.0
85.02885	5.8
85.06538	6.0
90.60463	1.7
91.05480	49.2
91.06028	3.7
93.07050	64.1
95.04971	45.0
95.08612	23.8
97.02900	6.0
97.06530	15.6
97.10172	19.0
98.03284	1.7
99.04431	2.6
99.08081	3.8
103.05476	4.4
105.04484	2.2
105.07036	38.6
107.04961	15.2
107.08602	40.2
109.02847	2.3
109.06475	9.2
109.10163	11.9
111.04445	2.8
111.08072	11.4
115.05464	5.2
117.07020	16.7
119.04953	2.7
119.08589	28.3
121.06499	12.5
121.10165	14.3
123.04409	3.3
123.08074	6.3
123.11708	1.8
125.09610	6.2
128.06279	2.7
129.07025	18.5
131.04919	2.7
131.08589	22.0
133.06490	9.6
133.10138	11.7
135.08063	6.9
135.11688	45.0
137.09613	4.3
139.03873	2.6
141.06953	5.1
142.07738	4.2
143.08574	8.1
145.06479	10.8
145.10126	19.1
147.08046	7.2
147.11684	10.5
149.02368	7.0
149.09625	7.9
151.07536	20.1
151.11235	2.4
153.12746	1.8
155.08549	3.5
157.10112	13.1
159.08086	3.0
159.11711	6.4
161.09592	4.1
161.13341	2.0
163.03862	2.3
163.11214	11.2
165.12793	3.0
167.08583	2.9
169.10127	5.7
171.08069	2.4
171.11656	2.8
173.09604	2.3
173.13298	2.2
175.11143	11.0
177.12772	1.9
181.12231	5.6
183.11685	3.9
185.09689	2.3
185.13271	7.0
187.11218	3.6
187.14818	1.8
189.11234	5.4
193.12245	35.3
199.11099	2.5
201.12869	1.9
203.10808	2.4
203.14331	5.0
215.14336	1.9
225.12868	1.9
227.12683	4.2
231.13853	3.4
243.13887	3.1
249.14912	5.8
267.15897	2.5
292.65411	1.9
327.23352	2.1
329.21143	10.3
336.50827	1.9
337.21744	10.4
347.22058	2.5
355.22675	19.8
373.23639	9.3
403.24835	7.2
429.26227	13.3
447.17737	4.2
447.27429	100.0
448.27789	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	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.9
55.01863	8.2
55.05279	2.8
55.05518	44.9
57.03434	14.5
63.32911	2.3
63.87164	2.4
65.03932	5.0
67.05510	75.3
69.03427	3.8
69.07072	14.9
69.89681	10.7
71.04983	6.6
79.05496	82.5
81.03426	79.7
81.07058	54.8
83.04981	14.4
83.08627	23.1
84.94683	2.4
85.06536	4.5
86.82358	2.7
91.05488	60.7
93.07053	64.0
95.04977	51.4
95.08621	24.9
97.02873	5.8
97.06520	10.5
97.10165	19.9
99.08065	3.1
103.05492	3.4
105.07047	35.3
107.04964	16.4
107.08595	38.8
109.06522	9.5
109.10123	7.7
111.08057	10.2
115.05446	4.9
117.07027	26.3
119.08593	33.6
121.06501	15.3
121.10142	17.7
122.24392	2.6
123.08054	5.2
123.11739	2.7
125.09657	12.6
127.07407	2.5
129.07025	24.2
131.04926	6.7
131.08582	22.4
133.06468	10.1
133.10129	14.2
135.08047	7.4
135.11696	32.6
137.09651	4.9
141.06978	10.0
142.07745	4.5
143.08540	15.8
145.06480	19.2
145.10124	19.1
147.08032	9.8
147.11685	7.6
149.02350	6.9
149.09615	9.6
153.09129	2.7
155.08519	9.2
157.10123	11.2
159.08008	7.3
159.11682	7.4
161.09628	5.2
163.11192	13.8
165.12712	3.6
167.08467	3.6
167.60634	2.6
169.10103	9.5
171.08029	4.5
171.10240	2.3
171.11635	4.2
175.11143	10.3
177.12781	2.7
181.10132	3.7
181.12177	5.6
183.11707	6.7
185.09644	3.3
185.13235	10.3
187.11182	4.9
189.11227	9.5
193.12251	29.3
197.13177	3.4
199.14873	2.9
201.12689	3.9
203.14296	9.9
211.14986	3.6
213.12753	3.1
223.13348	5.3
225.12823	4.6
227.12637	3.1
231.13792	3.5
249.14751	5.2
257.15463	3.0
259.17096	3.4
273.14963	3.6
293.81290	2.8
319.20441	3.5
327.23141	5.9
329.21115	5.9
335.25775	3.4
337.21613	21.1
339.08179	2.6
355.22696	37.3
373.23752	15.4
391.24799	4.1
403.24823	8.4
429.26257	29.6
447.27280	100.0
448.27649	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	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.3
54.86063	2.1
55.01879	9.8
55.05511	34.3
55.57348	1.8
55.74189	2.0
56.32751	1.9
57.03442	9.4
57.07079	2.1
61.02924	4.5
65.03922	5.4
67.05508	74.3
67.68396	1.8
69.03416	6.3
69.07061	17.3
69.25583	18.3
71.04984	5.8
79.05495	58.2
81.03419	37.4
81.07058	49.8
83.04987	11.6
83.08622	19.9
85.02895	2.8
85.06535	4.4
91.05478	56.7
93.06489	3.3
93.07050	46.3
95.04965	36.5
95.08611	20.8
97.02905	4.7
97.06516	8.9
97.10161	15.1
103.05473	6.3
105.07037	42.8
106.25217	2.1
107.04424	1.9
107.04970	23.2
107.08598	28.2
109.02869	2.5
109.06526	13.5
109.10152	18.2
111.04461	4.5
111.08080	8.4
114.10308	4.6
115.05456	5.5
117.07024	23.2
119.04932	4.4
119.08591	26.1
121.06516	18.5
121.10126	15.6
123.08074	7.0
123.11636	2.4
125.09638	13.4
128.06252	4.5
129.07025	16.1
131.04953	6.1
131.08571	22.7
133.06485	7.6
133.10159	14.5
135.08058	7.8
135.11691	22.3
137.05919	2.1
137.09618	4.8
139.03915	3.2
141.06982	5.7
142.07782	4.3
143.08582	14.0
145.06509	17.3
145.10124	14.9
147.08020	7.0
147.11671	9.4
149.02327	7.3
149.09630	7.4
153.09070	3.4
155.08557	7.8
157.06506	4.9
157.10118	15.8
159.08070	8.3
159.11696	8.2
161.09657	5.9
161.13307	2.6
163.11212	14.2
165.06944	2.0
167.08562	4.5
169.10117	6.9
171.08057	4.7
171.11739	8.9
173.09634	5.6
173.11792	3.0
173.13254	4.9
175.11227	9.9
175.14809	2.8
179.08562	2.6
181.10095	3.3
181.12236	5.6
183.11719	6.8
185.09613	2.9
185.13298	8.9
187.11208	5.6
189.11247	7.5
189.12804	2.7
193.10532	2.6
193.12270	16.1
195.11720	3.9
197.13301	3.0
201.12730	2.8
203.14272	10.3
205.12277	3.9
207.11780	2.3
211.13174	2.8
213.12697	2.6
219.13760	5.6
225.12715	4.5
227.12651	4.3
231.13884	4.0
243.13847	3.1
249.14798	2.7
257.15466	3.5
267.15878	3.0
269.15366	2.1
275.16565	3.8
302.78488	1.9
305.17731	2.0
309.22308	2.7
327.23334	6.2
337.21533	17.7
355.22723	41.8
373.23691	13.8
391.24683	2.2
403.24777	3.0
429.26248	28.4
429.31317	2.0
447.17993	4.5
447.27429	100.0
448.28119	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2228
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03937	7.6
54.44302	2.4
55.01858	8.2
55.05512	17.2
55.25089	2.8
57.03443	22.4
58.04187	4.0
61.02929	68.5
67.05506	38.9
69.03429	35.7
69.07068	16.5
70.46034	5.8
71.01355	3.5
71.04988	9.5
73.02923	39.3
73.34325	2.3
75.04465	2.8
79.05491	28.6
80.05509	6.2
81.03427	30.5
81.06591	5.7
81.07059	100.0
83.04974	11.3
83.08601	7.5
85.02908	67.2
85.06531	9.0
87.04446	5.6
89.06023	18.2
91.03954	38.2
91.05482	38.9
93.07044	33.1
95.04988	15.2
95.08623	27.3
96.05279	4.4
97.02899	53.8
97.06520	11.1
97.10173	4.0
99.04492	12.7
99.08093	6.0
101.02374	9.5
102.06824	5.0
103.03923	4.2
105.07040	57.4
107.04906	3.7
107.08591	25.2
108.08941	2.7
109.02880	13.3
109.06503	8.4
109.10151	6.7
111.04432	4.0
113.05959	3.6
114.10296	6.5
115.03880	3.0
117.07016	2.7
119.08586	36.9
121.06487	7.3
121.10148	33.2
122.10439	3.7
123.04413	5.1
123.08063	8.5
123.11710	31.4
124.08067	5.0
127.03939	24.1
127.07568	4.0
129.05487	2.8
131.08562	10.8
133.08620	9.5
133.10135	9.4
135.11717	3.7
137.05978	3.1
137.09598	3.0
139.11166	3.2
145.04958	8.0
145.10121	6.2
147.04424	2.8
147.11696	86.5
148.12177	2.6
149.02354	4.4
149.09613	10.5
150.09961	8.5
151.11131	2.5
157.10152	5.4
159.07967	2.6
159.11664	3.5
160.08368	3.0
165.12766	54.0
167.07086	4.0
175.11191	5.1
177.09119	29.6
178.09448	26.0
183.06503	9.2
183.13812	13.5
189.86699	2.6
193.12257	4.6
201.07587	3.5
202.93011	3.1
204.14659	2.5
210.14851	3.3
229.14369	17.6
232.14148	2.9
241.08698	2.7
249.14911	5.0
250.15312	4.4
267.15921	29.5
268.16095	5.0
285.07303	5.6
285.16977	62.0
309.16714	4.4
313.16278	3.4
346.03174	2.8
393.19348	2.6
393.24622	2.9
411.20090	3.3
429.20966	5.2
447.22025	16.9
447.27414	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	446.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
66.43587	0.4
67.05518	2.4
67.44668	0.4
69.07065	2.0
69.32056	1.6
69.32459	2.6
81.07031	1.7
83.08611	1.2
91.05495	0.7
93.07032	1.8
95.08596	1.5
109.06505	0.8
109.10168	4.9
119.08601	2.6
121.06511	10.3
122.07292	1.2
135.08073	1.4
136.08852	12.4
137.05968	0.7
137.09633	12.7
149.05956	0.5
149.09608	1.7
151.07590	0.7
152.08328	1.1
156.28419	0.5
164.08347	31.8
165.09125	100.0
166.09499	3.0
177.09117	1.9
178.09775	0.7
187.11224	0.8
189.09128	1.2
190.09888	0.7
191.10765	0.7
194.88783	0.7
203.10686	0.9
205.12271	7.0
428.36526	58.0
429.36807	1.2
446.20908	1.3
446.31430	1.0
446.37564	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	447.2231
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03939	3.8
55.01879	5.7
55.05508	13.3
57.03435	22.2
59.05000	2.6
61.02932	58.3
67.05507	28.9
69.03431	32.4
69.07075	20.9
70.83939	7.1
71.01363	4.8
71.04984	7.9
73.02923	26.3
73.04773	3.1
75.32497	2.9
79.05499	23.7
81.03441	22.2
81.07062	92.3
83.04993	11.7
83.08618	9.8
85.02911	54.1
85.06547	7.5
86.09718	3.4
87.04465	3.8
91.03967	29.8
91.05482	26.5
93.07052	15.6
95.08613	21.1
97.02900	50.4
97.06532	6.2
99.04452	13.0
101.02360	15.7
103.03963	8.9
105.07033	52.6
107.08604	16.2
109.02885	15.2
109.06522	6.5
109.10172	5.5
115.03915	4.1
119.08591	32.3
121.10147	33.7
123.08067	5.1
123.11726	36.9
127.03945	22.4
127.07568	6.1
129.07013	4.2
131.08592	5.8
137.13190	3.3
139.03934	3.4
145.04971	6.6
147.11697	100.0
149.02365	3.9
153.01810	3.1
157.10220	4.0
165.12772	66.8
167.07057	3.3
175.07561	3.6
183.06509	7.7
183.13828	12.0
191.06990	5.6
193.12193	7.4
201.07603	5.2
211.94638	3.0
229.14371	27.9
253.04959	6.4
267.15927	33.8
281.04568	5.4
285.17020	77.6
299.05862	2.9
327.18280	3.6
411.19614	3.6
429.21259	6.6
447.22244	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	446.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05519	12.4
57.03426	1.9
60.73496	1.7
67.05499	7.6
69.03435	3.8
69.07040	3.2
70.06626	1.9
71.04993	5.9
71.08620	1.6
71.51491	2.9
72.08158	2.3
74.97625	1.7
75.89137	1.8
79.05490	5.4
79.59645	1.9
81.03438	5.5
81.07054	11.7
83.04986	100.0
83.08579	2.2
84.05275	1.9
84.08117	3.0
85.02924	3.7
91.05482	6.9
92.05818	1.9
93.07027	9.3
95.04967	3.8
95.06096	1.9
95.08607	4.4
97.02898	7.1
97.06544	2.1
105.07042	5.2
107.08596	7.7
109.02871	2.6
109.10149	2.8
114.10304	3.5
119.08588	4.3
121.06516	4.2
121.10162	5.2
125.09664	3.0
131.08575	5.1
133.10153	4.5
135.11732	2.1
139.03952	2.1
145.10231	2.3
149.09631	39.7
149.10770	3.6
151.11154	2.2
159.11700	2.3
163.41785	2.1
169.45091	1.8
203.14305	10.5
223.07220	1.9
228.79424	2.2
231.13890	6.2
249.14883	10.7
250.09286	3.5
265.08493	3.1
266.08972	4.0
291.60306	1.9
293.11520	2.0
294.12067	3.1
296.10260	2.3
301.07092	3.0
310.11514	2.2
312.09668	4.0
313.10040	2.7
326.11435	3.3
327.11896	8.1
339.12167	4.1
340.12634	14.5
357.12671	4.2
370.14056	3.5
371.14490	23.1
372.15164	8.3
402.27155	3.5
446.24661	3.7
468.29227	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	446.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04318	0.8
53.03944	2.1
55.01877	8.1
55.05496	4.4
56.86261	1.0
57.03452	4.3
61.02940	4.9
65.03934	1.5
67.05176	1.4
67.05509	18.7
68.05835	1.5
69.03432	9.1
69.07059	3.1
70.06587	1.2
70.45524	1.3
70.45875	2.3
71.04998	10.2
73.02913	2.0
79.05508	6.8
81.03423	4.8
81.06644	1.3
81.07062	12.1
83.04974	3.1
83.08632	2.0
85.02903	8.1
86.09695	1.1
91.03942	2.2
91.05465	10.4
92.05785	1.4
93.07053	12.1
94.07433	1.1
95.04977	28.9
95.08598	4.6
97.02910	8.4
97.06551	1.4
99.04452	2.4
99.08062	1.0
100.07606	1.7
100.11270	7.0
102.67176	0.9
105.07054	11.0
107.04949	1.0
107.08601	11.5
109.02873	3.8
109.06502	1.5
109.10147	2.4
111.04450	3.3
112.07550	1.3
114.10280	0.9
117.07017	1.1
119.08539	4.4
121.06521	8.1
121.10158	19.6
123.04477	1.2
123.08059	1.7
123.11705	4.0
127.03932	1.9
127.83869	0.8
128.07114	1.7
131.08577	16.9
133.10130	4.7
135.08037	4.8
137.06049	1.2
141.11499	1.1
145.04967	1.4
147.11696	6.4
149.09641	27.0
151.03932	1.7
151.11186	3.0
152.04204	1.2
154.12300	1.0
159.08098	4.4
159.11737	1.2
161.09598	3.2
161.13354	1.2
165.12762	2.7
168.13792	1.6
173.13094	1.0
177.09122	100.0
180.08551	0.8
182.15407	4.6
185.13297	0.9
187.13431	1.4
189.12810	1.2
191.21292	1.2
196.13335	2.3
199.18144	1.4
203.14308	4.5
207.66783	1.0
209.16457	1.6
210.14851	4.2
227.17560	1.1
229.14294	1.7
231.13817	11.6
249.14893	20.9
255.84041	1.0
258.17844	2.6
267.15897	10.5
285.16898	2.3
326.28043	1.7
374.29132	1.5
446.24649	3.8
447.22232	1.4
453.69553	1.1
456.79150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01852	0.4
55.05268	0.7
55.05514	9.8
57.03444	0.5
57.07082	3.6
63.18935	0.4
65.03935	0.6
65.09314	0.4
67.05504	4.0
68.81874	0.4
69.07072	17.5
69.19651	1.4
69.20070	2.7
71.05011	0.5
71.08626	1.7
79.05485	1.7
81.07063	8.3
83.04975	0.9
83.08626	8.0
85.10196	0.8
91.05460	2.1
93.07051	3.8
95.08604	6.4
97.10177	4.3
105.07029	2.1
107.04982	0.6
107.08601	3.8
109.06548	0.7
109.10167	6.3
111.04472	0.5
111.11752	2.1
115.03626	0.4
117.07014	0.9
119.08582	3.2
121.06508	0.8
121.10158	3.3
122.07299	1.3
123.11713	2.0
125.13239	0.9
125.28693	0.4
129.06999	0.5
131.08553	1.9
133.10109	1.2
135.08061	3.3
135.11713	1.9
136.27390	0.4
137.09621	8.7
137.13260	0.7
139.07545	1.4
142.07799	0.5
143.08568	0.6
145.10103	2.0
147.11612	0.9
149.08435	0.5
149.09627	9.5
149.13255	0.8
150.31683	0.4
151.07608	0.7
157.10149	0.9
159.08044	0.7
159.11687	2.0
160.08829	0.7
161.09647	0.7
163.11194	10.0
165.09120	100.0
166.09489	1.0
171.11691	1.4
173.09615	1.3
173.13210	0.7
174.10370	0.5
175.07590	0.5
175.11140	3.5
176.08305	1.3
177.09140	5.4
177.12749	1.4
179.10632	1.0
185.13326	0.4
187.11186	1.3
189.09033	2.2
189.12778	1.6
190.09796	0.7
191.10696	5.8
199.11198	3.2
201.12798	1.8
203.10692	5.2
203.14342	0.9
205.12257	7.4
215.14258	0.5
216.11385	0.5
217.12268	1.0
219.13824	2.0
231.13818	0.9
233.15346	0.8
245.15425	0.8
247.16904	0.6
261.18616	0.5
275.20038	0.5
289.21643	0.6
309.65128	0.5
344.29633	0.6
345.27789	0.7
371.29297	0.6
387.16162	0.6
399.32645	0.7
401.17648	0.7
415.15540	1.1
416.16040	0.6
417.20761	0.5
427.35767	4.4
429.17398	0.5
430.18030	1.4
445.20016	10.3
445.30432	1.0
445.36621	5.4
446.20789	1.7
459.22598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.6
53.43898	2.2
55.01881	3.9
55.05518	21.7
57.06829	4.4
57.07083	52.9
67.05517	7.9
69.07073	43.3
69.92694	2.1
71.08638	40.4
71.51747	4.1
79.05521	6.0
81.07062	29.5
83.01340	14.9
83.08624	30.2
85.02895	3.1
85.10180	19.4
91.05489	10.2
93.07048	8.6
95.08614	24.3
97.02898	7.3
97.10172	22.8
99.04504	4.0
99.11755	3.4
100.15858	2.6
100.55746	2.3
105.07067	12.0
107.08630	10.5
109.06522	51.7
109.10167	16.7
111.08081	3.5
111.11716	11.9
119.08591	12.0
121.06572	3.5
121.10165	7.8
123.08090	13.0
123.11742	7.5
125.05983	5.2
125.13333	5.5
127.03958	3.8
131.08574	10.9
133.10155	8.8
135.08078	13.3
135.11668	4.0
137.05994	100.0
137.09596	5.1
137.13268	4.3
139.07562	16.6
141.70850	2.5
142.07716	2.9
143.08574	5.5
145.06566	3.0
147.08090	3.7
147.11691	7.2
149.09630	15.4
149.13249	5.3
151.07559	35.8
152.08328	3.0
157.10164	3.4
159.08015	3.7
159.11746	3.8
161.09608	14.8
161.13281	5.6
163.07571	10.6
163.11198	6.0
165.09113	31.8
169.08623	4.5
171.11716	2.9
173.09651	4.6
175.11194	16.4
177.09093	20.7
177.12814	4.9
179.07060	8.5
179.10709	10.7
187.11227	5.0
188.09331	2.3
188.11942	3.3
189.09253	3.0
189.12776	18.0
191.10730	7.0
191.14294	3.4
193.08684	5.2
193.12241	16.2
203.10710	5.4
203.14369	6.3
203.17848	2.7
205.12328	3.1
207.13832	10.4
217.12340	3.2
217.15944	4.4
217.85063	2.8
219.13858	3.5
221.15421	9.9
231.13925	3.5
231.17357	4.4
235.17027	6.1
245.19009	4.6
249.18542	11.2
259.20645	4.9
261.26056	2.6
263.16980	2.4
263.20139	10.3
273.22171	4.6
277.21722	10.6
291.19641	3.4
291.23203	7.7
305.24799	5.2
333.27798	3.2
347.29547	5.7
361.31088	2.8
385.34705	33.1
386.34866	2.5
399.36200	25.4
403.35687	23.2
417.37292	47.1
427.35565	17.4
445.36856	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.6
57.07076	6.6
65.65175	0.8
67.05506	5.9
69.06729	1.2
69.07071	16.9
70.91603	0.7
71.08616	3.4
79.05486	2.6
81.07057	8.0
83.04982	0.9
83.08627	12.2
85.06512	0.6
85.10177	1.3
91.05474	2.7
93.07047	3.2
94.16129	0.8
95.08618	5.3
97.10162	4.6
98.21471	1.4
98.44044	0.7
102.57816	0.7
105.07045	1.1
105.23667	0.6
107.04928	0.8
107.08591	3.1
109.10141	6.8
111.11714	3.2
119.08600	4.3
121.10129	2.4
122.07271	1.2
123.08109	0.8
123.11704	2.1
131.08585	1.4
133.10071	1.3
135.08055	2.6
135.11665	2.6
137.09618	10.3
137.13103	0.8
139.07571	1.1
142.07851	0.8
145.10136	1.6
149.09601	9.3
149.13268	0.8
152.73587	0.7
158.77629	0.8
159.11705	2.2
160.08865	1.2
161.13332	0.8
163.11211	6.2
165.09122	100.0
171.11783	0.7
173.09627	2.0
175.11165	2.2
177.09137	4.9
179.10654	1.1
187.11107	1.2
188.12068	0.8
189.09093	2.5
189.12750	1.6
191.10698	6.2
201.12730	1.1
203.10704	7.0
203.14369	2.0
205.12231	9.3
208.37338	0.7
219.13792	2.6
231.13849	2.5
252.14375	0.8
275.20087	0.9
345.27969	1.4
374.79144	0.7
399.32770	0.9
427.35818	7.2
430.17868	0.8
445.19928	7.6
446.20792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62906	1.3
53.03935	1.9
54.07780	1.5
55.05516	17.4
55.95926	1.3
57.07087	11.8
60.44967	1.6
67.05508	9.7
69.07072	54.3
69.33929	3.5
69.34328	9.7
71.04987	5.3
71.08627	4.1
79.05486	3.8
81.03419	3.7
81.07064	19.3
83.04988	2.5
83.08618	26.2
85.10175	2.9
91.05477	4.6
93.07035	5.4
95.08611	15.3
97.02898	2.7
97.06509	1.6
97.10184	12.8
105.07021	3.9
107.08598	6.3
109.06491	2.2
109.10165	12.6
111.11735	6.9
117.07061	1.4
119.08598	3.2
121.10126	4.2
123.11709	5.6
125.13280	2.6
131.08595	2.8
133.10141	4.5
135.08041	5.1
135.11702	1.5
137.09630	8.8
137.13248	1.9
139.07544	7.3
145.06407	1.5
147.11819	1.5
149.09622	11.5
151.07559	2.9
151.11304	1.4
153.09102	3.9
157.10133	1.7
159.11737	3.0
163.07527	1.6
163.10046	1.4
163.11206	6.1
165.09123	100.0
173.04520	2.9
173.09697	1.8
175.11205	4.0
177.09157	7.4
177.12740	1.6
179.10625	2.0
181.08577	9.6
187.11232	2.9
189.09114	1.8
190.09886	1.9
191.10675	7.3
201.12793	1.8
203.10641	5.2
203.14291	3.5
205.12242	13.6
214.52751	1.5
219.13785	2.7
231.13750	3.0
233.15466	2.0
257.17526	2.9
319.11905	1.5
345.27969	1.8
373.14346	2.0
387.15881	1.5
399.08755	1.4
414.14584	2.1
427.35837	14.5
445.20099	22.5
445.30847	1.9
445.36902	15.3
446.21017	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
51.55603	1.2
53.03944	2.1
53.32238	1.0
55.01867	3.1
55.05519	15.6
57.03436	2.8
57.07059	1.1
65.03926	2.1
67.05511	34.8
69.07068	11.1
71.05004	1.9
79.05501	31.8
79.31567	1.1
81.03415	2.7
81.07068	36.0
83.04983	1.9
83.08624	7.2
85.06544	2.0
90.27281	1.0
91.05486	46.5
93.06483	2.2
93.07053	30.3
95.04977	5.2
95.08614	20.7
97.06522	3.2
97.10162	2.7
103.05466	2.2
105.04503	2.0
105.07040	38.8
107.04943	3.4
107.08622	12.9
108.78085	1.0
109.06538	3.3
109.10175	6.9
111.08098	2.3
111.27351	1.1
115.05464	3.6
117.07025	16.9
119.08588	26.1
121.06527	4.4
121.10156	8.6
123.08065	2.1
123.11722	1.5
128.06227	4.1
129.07024	17.9
130.07742	1.5
131.08586	38.6
133.06480	1.9
133.10149	12.2
133.43690	1.4
135.08058	2.2
135.11696	5.1
137.09616	2.7
141.07013	6.1
142.07744	2.1
143.08588	15.7
144.09328	2.0
145.06523	2.0
145.10152	20.6
147.08072	3.2
147.11685	4.7
149.09633	3.9
151.11214	1.2
155.08531	8.3
157.10153	11.3
159.11665	6.2
161.09622	2.5
161.13269	1.3
163.11293	1.4
167.08636	4.0
169.10124	8.0
170.87607	1.2
171.08089	1.9
171.11682	7.1
173.04420	1.3
173.09630	1.5
173.13295	3.4
175.11259	1.3
181.10152	5.2
183.11739	6.3
185.13277	4.2
187.14801	2.2
193.10094	1.5
195.11688	4.0
196.99319	1.3
197.13316	5.1
199.14839	3.3
201.12752	1.8
203.14200	1.4
208.12573	1.3
209.13268	4.0
211.14836	4.3
213.12753	1.5
213.16447	2.2
222.14043	1.2
223.14819	4.0
225.16408	3.6
227.14346	1.8
229.15903	1.3
235.14917	1.5
241.15868	2.7
243.17369	1.5
245.15417	1.9
247.16995	1.6
255.17503	1.6
259.16837	1.3
261.18588	1.7
307.24127	1.4
325.25287	2.9
335.23859	7.5
343.26465	5.0
353.24817	16.3
361.64914	1.2
371.25827	17.2
389.26923	15.4
427.28629	4.2
445.29535	100.0
446.29816	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32845	1.1
53.03945	4.8
55.01875	3.4
55.05270	1.4
55.05514	15.5
57.03428	3.3
60.53975	0.9
60.76004	1.2
61.57113	1.0
65.03934	3.2
67.05508	39.5
69.03434	3.2
69.07072	16.8
71.04993	4.8
71.51682	1.3
79.05498	37.4
81.03426	6.4
81.07059	37.5
83.04986	3.6
83.08628	8.8
85.02895	1.5
85.06548	3.1
91.05479	49.6
93.07049	34.3
95.04980	6.6
95.08607	24.4
95.87055	1.1
97.02892	2.8
97.06532	4.5
97.10191	5.0
103.05503	1.8
105.03410	2.3
105.04572	1.6
105.07036	48.8
107.04969	5.2
107.08606	15.6
109.06532	4.2
109.10169	10.8
111.08077	2.2
113.06049	1.2
115.05476	3.5
117.07022	24.2
119.08589	26.3
121.06522	6.5
121.10150	9.7
123.08080	3.7
123.11769	1.5
125.09628	1.4
128.06241	5.1
129.07010	17.9
130.07791	2.3
131.08572	38.9
133.06505	4.0
133.10123	14.1
135.08052	3.1
135.11729	4.5
137.09593	2.5
141.06982	7.2
142.07793	3.3
143.08574	18.5
145.06508	3.4
145.10132	21.9
147.08055	3.9
147.11682	6.5
149.09641	4.2
151.11197	2.0
153.07005	1.3
155.08578	8.2
156.09532	1.2
157.10150	11.0
159.08099	2.0
159.11716	10.3
161.09616	3.1
161.13319	1.4
163.11235	3.4
165.07042	1.6
167.08578	2.9
169.10150	11.0
171.11769	8.4
173.13310	2.6
173.22334	1.1
181.10135	4.1
183.11708	6.1
185.13330	5.6
187.11226	1.4
187.14854	2.4
191.10605	1.2
193.12242	1.6
194.11736	1.3
195.11716	5.0
197.13258	5.0
199.11287	1.7
199.14865	2.2
201.12776	1.5
201.16396	1.6
209.13316	4.1
211.14816	2.6
213.16336	2.0
215.14375	1.5
219.04619	1.3
219.13905	1.5
223.14850	3.8
224.10669	1.2
225.16548	2.0
229.16013	1.7
237.16422	1.9
241.15942	2.5
243.17513	1.7
247.17004	1.5
259.17075	2.1
261.18536	3.2
269.18988	1.2
273.18558	1.5
291.19803	1.3
307.24203	2.0
325.25311	4.4
335.23712	6.2
343.26318	7.0
353.24756	20.5
359.02838	1.6
371.25873	20.0
389.26813	20.0
427.28351	4.9
441.21637	1.3
445.29581	100.0
446.29922	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	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01870	3.7
55.05517	17.0
57.03433	4.0
62.24644	1.1
65.03947	2.5
67.05509	42.7
69.03423	1.3
69.07071	12.1
71.04996	1.9
79.05498	36.3
81.03423	3.4
81.06586	2.2
81.07064	37.4
83.04988	4.6
83.08620	7.1
85.06545	2.5
91.05482	50.2
93.07049	35.3
93.07638	1.7
95.04983	4.7
95.08613	25.1
97.02895	1.4
97.06537	4.9
97.10168	3.4
103.05458	3.7
105.04525	1.6
105.07037	49.8
107.04957	7.3
107.08601	15.5
109.06512	3.5
109.10175	8.2
111.08110	1.0
115.05438	3.1
116.06251	1.6
117.07025	27.5
119.08594	27.0
121.06519	7.4
121.10156	9.4
123.08086	3.3
123.11739	1.5
125.09694	1.7
128.06149	5.0
129.07010	18.5
130.07811	2.0
131.08578	40.1
133.06451	3.2
133.10150	16.0
135.08069	3.0
135.11694	2.8
137.09607	2.1
141.07008	8.7
142.07782	2.7
143.08569	17.7
145.06496	2.5
145.10141	23.2
147.08072	4.8
147.11720	4.2
149.09615	2.5
149.13351	1.2
153.07106	1.5
155.08595	11.0
157.10147	12.2
159.08069	1.9
159.11684	8.6
161.09651	2.4
161.13298	1.9
163.11179	1.2
165.06923	1.5
167.08595	4.2
169.10107	7.7
171.08081	2.2
171.11678	8.7
173.09659	1.3
173.13297	2.0
175.14816	1.2
181.10126	6.7
183.11729	4.3
183.48122	1.1
185.13283	5.8
187.14871	3.9
195.11743	2.8
197.13193	7.3
199.14848	4.0
200.18890	1.0
201.12724	2.0
201.16542	1.8
209.13269	4.1
211.14844	4.6
213.12840	2.2
213.16389	1.5
215.14351	1.8
223.14822	4.6
225.16441	1.2
233.15529	2.0
237.16428	1.7
239.17944	1.5
241.15894	2.6
247.17055	1.8
255.17543	2.1
259.17072	1.9
269.19080	1.4
273.18835	1.2
285.18497	1.4
287.20120	1.0
307.24057	1.2
319.31464	1.2
325.25372	4.8
325.28967	1.0
335.23599	6.6
343.26340	7.4
353.24789	17.9
361.26917	1.3
362.47037	1.1
371.25839	18.1
389.26883	13.9
427.28564	4.4
445.29547	100.0
446.29623	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01865	2.7
55.05513	10.4
57.03443	14.5
57.07082	1.7
59.05001	1.3
61.02918	2.1
63.09045	1.3
65.03928	2.3
67.05510	46.5
69.03433	19.4
69.07071	4.6
70.06561	1.4
70.16434	5.1
71.05000	100.0
73.04746	2.8
77.79795	1.2
79.05498	20.5
81.02992	2.3
81.03427	31.7
81.07062	62.4
83.04991	10.4
83.08618	6.1
84.04503	1.6
85.02924	9.7
85.06540	9.7
91.05470	37.6
93.06490	1.5
93.07053	21.7
95.04960	6.3
95.08601	10.3
97.02296	2.2
97.02901	33.9
97.06545	7.4
99.04469	6.6
103.03947	2.6
105.07037	23.3
107.04967	3.1
107.08595	16.2
109.02874	7.5
109.06520	3.4
109.10162	12.3
111.04449	5.6
111.08065	2.0
112.02757	1.2
115.05406	1.4
117.07030	4.7
119.08595	2.4
121.10144	6.2
123.04414	3.6
123.08053	1.8
123.11726	12.2
125.06006	2.0
125.09579	1.7
127.03935	9.7
129.05475	4.7
129.06984	2.3
131.04988	1.6
131.08574	4.9
133.09123	1.9
133.10138	33.4
135.04358	1.6
135.08104	2.3
135.11708	4.5
137.05989	2.2
139.03899	2.7
145.04842	1.5
145.10068	2.2
147.04407	1.6
147.11681	4.7
149.13275	8.3
151.11177	20.2
157.10089	1.6
159.11755	9.3
165.09145	1.6
165.12845	1.8
169.12236	4.1
171.06436	1.9
173.04465	7.4
177.12810	5.3
183.06482	3.2
183.13815	9.1
187.13306	26.9
187.14891	1.0
195.13847	7.2
197.26398	1.4
201.14873	17.6
213.14819	2.5
225.14828	1.6
243.15956	3.9
255.11186	1.8
257.17493	67.9
258.17725	1.7
261.00879	1.7
266.14688	2.5
269.17487	5.6
283.19189	3.5
301.20151	10.5
339.18027	2.3
359.02722	2.6
388.27844	1.4
391.74094	1.3
395.20700	3.0
413.21518	10.1
445.18207	1.9
445.24341	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	445.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
53.04621	1.8
55.01868	5.8
55.05521	16.8
57.03436	15.8
57.07076	3.4
63.76532	1.8
67.05168	3.8
67.05509	40.8
67.51740	1.9
69.03439	4.5
69.07077	12.5
69.21227	22.1
71.04997	3.7
79.05508	32.7
81.03414	3.4
81.07062	46.0
83.04991	2.8
83.08633	7.3
85.06565	2.4
86.09682	2.5
91.05479	47.0
93.07051	42.4
95.04983	4.5
95.08609	28.0
95.92124	2.0
97.02918	2.9
97.06528	2.5
97.10197	3.7
98.20783	4.3
103.03963	3.1
105.07040	50.6
107.08607	30.0
109.10171	10.8
113.00029	83.1
115.05465	3.2
117.07038	16.7
119.08588	45.9
119.97135	2.0
121.10153	20.1
123.08102	2.2
123.11683	2.9
125.09679	1.9
128.06235	2.7
129.05486	5.6
129.07031	17.0
131.08586	39.1
133.10133	33.9
135.11703	16.9
141.07018	5.4
143.08565	15.5
145.10127	27.5
147.11691	23.2
149.09647	3.5
149.13300	9.0
155.08604	4.1
157.10156	14.9
159.11722	13.3
161.13266	23.5
163.11232	2.7
163.14886	4.7
167.08531	2.3
169.02657	5.7
169.10110	3.4
171.11679	12.7
173.04454	2.3
173.13268	11.1
175.14851	17.7
181.10095	5.0
183.11711	7.1
185.13293	12.2
187.03696	15.5
187.14874	6.3
189.12917	2.4
195.11807	2.8
197.13350	2.7
199.14841	6.9
211.14867	3.6
213.16420	2.3
215.18027	5.8
217.19527	7.2
223.14899	3.5
231.20993	2.9
237.16258	2.5
241.19566	40.5
243.21060	2.8
255.17561	2.7
259.20584	36.7
295.48413	2.4
315.23233	5.0
333.24258	100.0
334.24298	3.0
335.23840	5.8
353.24753	13.7
371.25903	8.5
389.26752	3.2
427.28348	6.2
445.29605	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69365	3.0
52.44297	2.8
53.03939	4.6
55.01874	3.7
55.05512	16.4
55.12746	2.6
57.03437	18.0
57.07080	4.6
57.64164	2.6
67.05513	37.0
69.03431	6.3
69.07072	15.1
69.22148	28.7
71.05002	7.6
73.04779	3.8
77.46335	2.8
79.05502	40.8
81.03406	10.7
81.07058	52.2
83.04999	3.3
83.08631	8.3
85.06543	5.0
91.05468	43.3
91.05915	3.5
93.07046	44.9
95.04973	6.5
95.08612	26.6
97.02863	3.8
97.06533	4.6
97.10159	3.1
105.07034	48.3
107.08614	27.3
108.26161	2.9
109.06532	3.7
109.10161	9.7
113.00024	81.5
117.07030	23.4
119.08587	41.7
121.10147	22.7
123.11772	3.4
128.06261	4.7
129.05513	5.8
129.07013	18.8
131.08574	43.9
132.74364	3.1
133.10133	34.9
135.08096	4.4
135.11662	16.7
141.07034	5.6
143.08525	21.0
145.10156	20.9
146.68727	3.6
147.04469	4.5
147.08063	3.3
147.11655	20.4
149.13272	8.4
155.08578	6.6
157.10109	15.8
159.11700	15.7
161.13254	22.6
169.02652	9.3
169.10109	5.9
171.11697	12.1
173.13249	13.5
175.14841	15.2
183.11714	7.0
185.13307	13.6
187.03700	15.8
187.14799	5.1
195.11627	6.0
199.14818	6.7
209.13248	4.9
213.16319	4.1
215.18016	6.6
217.09932	2.9
217.19507	7.7
223.14867	3.2
231.17389	3.4
231.21092	3.7
241.19511	36.4
259.20575	35.7
277.21759	3.3
315.23120	3.0
333.24237	100.0
334.24454	3.6
335.23810	6.3
341.74274	3.4
353.24786	18.7
359.02808	4.2
371.25909	6.3
389.26691	5.7
427.28537	6.1
445.29694	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	21.6
62.55879	5.5
70.06583	22.1
72.08160	15.6
73.04765	34.3
73.76265	6.0
79.05479	5.9
83.04971	10.8
84.08102	9.3
85.02916	9.3
85.06544	7.8
86.06035	7.8
86.09701	13.2
91.05842	39.6
97.02935	7.1
98.20735	18.4
98.97576	49.5
107.04936	8.2
111.53814	6.6
116.98599	19.0
131.00049	14.4
131.87117	7.5
140.98430	10.0
141.02205	20.7
154.99992	7.7
158.99615	6.9
159.03313	10.3
167.05525	18.0
170.06339	14.3
185.04604	7.9
199.02675	18.5
201.04187	14.2
202.70630	7.7
225.04472	11.6
229.25464	7.2
242.08180	9.1
247.09932	8.9
260.09225	15.0
265.07758	6.4
265.11111	55.9
265.18085	6.9
266.08157	10.4
283.08466	12.9
283.12057	16.3
307.12125	49.8
325.13153	12.6
333.11267	7.3
359.02780	24.5
445.18173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48416	2.0
55.05500	5.7
57.03458	3.7
57.03723	1.7
67.05513	9.8
69.03433	5.9
69.07084	2.6
71.04994	8.8
71.50927	3.1
73.04757	5.8
76.60220	1.9
79.05479	5.9
81.03423	7.9
81.07057	11.0
83.04967	6.3
83.08598	2.2
84.08145	3.0
84.94608	1.8
85.02901	6.1
85.80840	2.5
91.05421	3.7
91.05862	4.0
93.07047	6.5
95.04970	4.7
95.08609	6.8
95.51185	1.8
97.02901	7.6
97.06525	3.7
101.00840	2.1
105.07012	6.3
107.04962	2.7
107.08585	5.9
109.02888	2.5
109.10143	4.4
119.08580	5.0
121.06501	2.3
121.10116	2.7
123.04449	4.6
125.05933	2.5
125.09601	2.2
127.03960	4.1
131.04927	2.5
131.08582	4.2
133.10136	5.9
135.08105	2.7
144.04422	4.2
145.10136	3.9
149.09618	3.7
151.07573	3.7
159.04494	2.0
161.05981	1.9
163.11145	3.2
165.07002	2.0
167.05542	2.9
167.06981	3.1
179.08534	2.4
181.06517	5.5
190.07768	2.4
191.08514	2.4
195.08060	3.6
205.06523	2.3
206.07298	4.1
207.08093	2.5
209.06004	2.4
217.15231	2.2
218.07275	2.2
219.08063	1.8
222.06729	4.6
224.08311	3.9
234.06673	3.8
235.07727	4.0
236.08279	4.6
237.09105	4.7
240.07950	2.9
249.05423	2.5
249.09062	12.8
250.06238	4.7
250.09903	2.8
250.62177	2.2
251.06979	5.8
252.07877	13.6
253.08687	4.6
257.17413	4.1
264.07822	8.4
265.08606	23.5
266.09317	14.0
266.14713	2.1
268.07098	2.7
269.08054	4.2
277.08630	5.4
278.09534	2.9
279.10040	2.8
280.07343	14.1
280.10077	2.7
281.08084	9.4
282.08679	2.5
283.09766	9.3
293.08472	3.1
293.11697	12.7
294.08774	3.3
295.09622	8.4
296.10422	7.3
297.07611	4.2
297.10870	2.3
309.11273	5.4
310.11987	2.1
311.09116	12.7
311.12839	10.6
312.09958	23.5
321.11160	5.8
324.98969	2.0
325.10709	6.3
326.11496	54.1
336.55008	2.3
339.08325	4.0
339.12299	68.5
340.12903	5.3
353.13867	3.6
355.11859	3.3
356.12582	30.0
359.02759	3.8
369.13489	5.3
370.14139	100.0
371.14911	45.7
371.19608	3.1
425.43286	2.2
445.18158	7.1
445.24829	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	445.083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99859	3.4
67.05520	2.0
67.23697	1.2
67.80287	1.2
69.20089	8.7
69.20501	4.1
70.06599	5.4
72.08131	1.9
73.04755	6.1
81.03420	1.9
84.08156	1.7
85.02927	3.1
86.06078	3.9
91.05809	6.5
97.02930	1.6
98.83765	1.5
107.03513	1.9
111.03000	1.9
113.00880	1.4
114.10326	2.9
115.02400	1.5
116.76216	1.4
117.03400	1.6
119.01995	1.8
119.04936	3.6
121.06539	1.6
123.04491	1.5
125.04488	3.0
127.03953	1.7
129.03996	7.8
130.37997	1.4
131.01917	3.1
134.85155	1.5
135.03056	1.5
137.06035	3.9
139.02350	1.4
143.01952	3.2
145.02863	4.0
147.04428	5.3
147.05241	1.5
149.04520	1.7
151.07335	2.3
152.05684	3.3
153.04005	4.6
155.05583	3.8
157.03476	3.0
161.02988	2.1
163.07295	1.3
167.05669	3.7
169.03461	10.8
171.05035	25.1
171.06403	2.2
173.03009	2.0
173.06628	7.9
175.04486	1.7
175.11908	3.6
177.05524	3.7
179.02116	2.0
181.03412	7.4
183.01479	1.8
187.04570	5.0
189.06078	24.4
191.05840	1.3
191.07770	1.9
197.02972	18.8
199.04536	15.7
203.04028	2.2
215.04018	51.1
216.04239	1.8
217.05638	3.3
225.02365	2.6
225.04414	2.1
243.03526	13.1
245.11436	1.8
255.01974	1.6
261.04544	68.8
262.04868	4.3
263.04492	2.7
263.07520	2.0
273.07712	1.5
279.05872	4.1
289.05594	9.9
291.07321	2.7
307.06754	4.0
309.08267	5.4
317.05246	2.6
335.06146	31.0
337.07928	2.5
343.03842	2.5
353.07166	6.5
355.08328	1.7
359.02893	7.2
381.06656	33.6
382.06732	1.5
383.08209	1.8
385.05124	1.5
398.99948	1.7
399.07993	9.1
427.07269	100.0
428.07498	4.7
445.08337	60.9
446.08731	4.4
468.09766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05511	2.6
57.03420	0.5
57.07064	0.5
59.05004	0.3
67.05507	5.9
69.03439	0.7
69.07070	2.7
70.14003	0.9
70.14390	0.8
71.04968	0.5
71.08629	0.4
79.05492	3.1
81.03414	0.8
81.07062	7.6
81.60502	0.4
83.04974	0.8
83.08607	1.4
84.08134	0.4
85.02897	0.4
85.06541	0.6
87.15040	0.4
91.05484	2.9
93.07061	3.0
93.86923	0.3
95.04961	0.5
95.08610	5.9
97.06523	1.5
97.10155	0.8
105.07049	2.4
107.04939	0.7
107.08581	2.1
108.73264	0.4
109.10159	7.1
115.05502	0.4
117.07010	1.2
119.08595	3.7
121.06514	1.0
121.10167	1.8
122.07311	1.7
123.04420	0.5
123.08067	0.8
123.11706	1.7
125.09676	0.8
128.06239	0.7
129.07014	2.3
131.08578	1.6
133.10152	2.0
135.08043	1.6
135.11665	0.7
137.06015	0.7
137.09628	11.9
137.13251	0.7
141.06961	1.1
143.08525	2.0
145.10139	1.1
147.08089	0.4
147.11705	0.6
149.09644	3.9
149.13216	0.5
151.07564	2.4
153.09152	0.5
153.20461	0.3
155.08560	1.6
157.10168	1.2
159.08109	0.7
159.11708	0.7
161.09578	0.7
163.11177	0.9
163.14832	0.6
165.09123	100.0
166.09462	1.7
167.07140	0.5
167.08536	0.5
169.10112	0.8
171.11731	0.4
173.09662	0.5
173.13226	0.4
175.11200	0.5
177.09119	1.5
177.16338	0.5
179.08571	0.6
179.10771	0.6
181.10139	0.8
183.11746	0.5
187.11115	0.4
189.12773	1.6
190.09807	0.6
191.10692	1.4
191.17923	0.6
195.02856	0.6
197.13287	0.5
201.12776	0.4
203.14178	0.5
205.10425	0.7
205.12265	7.2
209.13248	0.7
239.14528	0.4
247.16913	0.4
253.15802	0.4
291.26776	0.7
333.21942	0.5
351.23233	2.1
369.24136	0.9
387.25171	0.3
413.57614	0.4
425.26736	1.0
443.27982	5.3
443.35236	2.0
462.36063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01857	10.3
55.05516	41.3
57.07083	26.5
67.05505	38.4
68.89726	2.3
69.03418	7.9
69.07071	83.1
71.08641	15.6
71.50988	4.6
76.95444	2.6
79.05500	18.0
81.07062	100.0
83.04971	4.5
83.08624	46.3
85.10166	7.6
87.04450	4.3
91.05487	13.8
93.07047	26.7
95.04961	6.3
95.08614	76.0
97.06534	4.8
97.10184	29.1
105.07042	20.3
107.08619	27.5
109.06516	10.2
109.10168	52.0
110.17237	2.4
111.08083	6.9
111.11722	17.3
117.07034	3.5
119.08590	17.4
121.06519	3.2
121.10161	16.8
123.08069	11.5
123.11716	27.1
124.05153	2.7
125.09638	3.8
125.13261	6.4
131.08556	5.8
133.10123	11.7
135.08061	4.3
135.11696	12.2
137.05965	11.4
137.09634	5.2
137.13263	9.0
139.07547	64.8
143.08557	4.5
145.10110	5.6
147.11676	10.7
149.05934	3.5
149.09647	9.8
149.13255	9.8
151.07536	10.0
151.14783	4.4
153.65016	2.3
157.10138	4.1
159.11729	5.6
161.09648	3.2
161.13242	11.5
163.14746	6.2
165.05472	13.3
165.09151	26.0
165.12761	3.1
165.16449	2.9
167.07101	7.4
173.13240	4.5
175.11246	5.2
175.14830	4.3
177.09111	5.2
179.10710	3.1
181.08527	4.3
187.11220	2.9
189.09138	3.6
189.12714	6.1
193.08617	14.2
201.12810	3.9
203.10645	5.9
205.12172	4.8
207.10101	3.7
217.12221	5.2
219.13762	3.2
221.11739	8.5
231.13605	3.9
235.13327	4.9
238.01903	2.9
263.27396	6.4
280.26306	2.6
287.27328	14.6
305.28409	14.2
425.34042	9.8
443.33990	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	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
55.49492	0.4
60.05654	7.0
67.05487	0.7
69.03417	0.6
69.07072	8.6
70.06596	23.1
71.05009	0.6
71.08311	0.9
72.04497	0.5
72.08152	1.5
73.92805	0.6
79.05475	0.6
79.88955	0.4
81.03430	0.5
81.07061	0.7
83.08632	0.5
85.02901	0.7
86.09712	100.0
87.10073	0.6
91.05479	0.6
94.15811	0.4
95.08584	0.5
96.04509	0.9
97.02901	0.7
105.07052	0.8
107.08601	0.6
109.06503	0.6
109.68269	0.4
112.08733	3.8
113.07134	0.5
114.10291	0.5
115.08677	3.6
116.07104	8.2
119.08588	0.6
120.16237	0.4
121.10162	0.7
123.04441	1.5
123.08105	0.7
128.10728	17.2
130.09801	2.8
133.09799	0.4
139.03949	1.0
142.05043	1.1
144.08145	0.7
147.11711	1.0
151.03841	0.6
153.01811	1.0
156.10202	1.4
156.11328	8.9
157.10864	0.8
158.09273	6.4
158.97256	0.4
159.07697	1.2
165.12769	0.6
175.11919	16.6
175.13437	0.9
195.02982	0.5
215.82080	0.4
226.15373	0.6
229.15416	0.5
234.98894	0.8
269.18729	1.0
271.17667	9.4
281.08365	1.0
288.20215	1.1
297.87595	0.5
425.28873	0.8
443.13638	4.5
443.29810	93.2
444.30368	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62965	20.7
58.67651	27.5
70.64318	67.0
88.00371	24.9
127.03873	64.7
147.04395	26.6
147.94586	21.5
148.04753	40.3
153.01794	43.7
160.05121	41.4
175.03944	42.9
192.07732	39.0
207.06560	37.2
208.06898	55.2
241.91452	29.1
242.96025	26.9
343.33282	27.6
443.17972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01867	2.5
55.05517	13.8
57.03423	4.3
58.72194	1.1
65.03933	2.4
67.05509	28.3
69.06799	0.9
69.07075	11.2
70.82986	1.7
70.83302	1.3
71.04982	2.7
76.99097	0.8
77.03913	1.2
79.05495	27.2
81.03422	1.8
81.06594	1.4
81.07061	26.4
83.04993	2.0
83.08611	8.1
85.06543	2.4
91.05486	37.8
93.07047	20.9
95.04962	3.5
95.08617	17.4
97.06536	2.8
97.10160	2.8
103.05457	2.2
105.07033	25.6
107.04942	4.1
107.08585	9.6
109.06525	5.4
109.10162	7.1
111.08080	1.7
115.05460	4.4
117.07023	21.1
119.04917	1.8
119.08589	12.6
120.00256	1.0
120.01137	1.0
121.06500	4.7
121.10147	3.8
123.08044	3.6
123.11703	1.0
124.47664	0.9
125.09563	2.2
128.06195	8.6
129.07013	30.9
130.07780	1.1
131.04909	1.1
131.08572	29.9
133.06508	2.9
133.10153	7.1
135.08040	3.8
135.11713	2.8
137.09648	2.3
141.07001	11.2
142.07782	4.2
143.08571	28.4
143.12547	1.0
144.09306	1.2
145.06485	4.8
145.10120	12.7
147.08034	5.4
147.11702	3.5
149.09625	3.8
151.07603	1.6
151.11105	1.3
153.07007	2.5
154.07776	3.2
155.08556	21.4
156.09378	2.0
157.10123	16.2
159.08041	4.7
159.11697	6.0
160.39922	1.0
161.09637	3.4
161.13141	1.4
163.11182	1.6
165.07013	2.5
165.09071	5.1
166.07799	1.5
167.08548	9.8
168.09305	2.3
169.10130	14.0
171.08098	3.5
171.11682	8.0
173.09642	3.3
173.13301	2.5
175.11226	1.3
177.12755	2.4
179.08617	5.3
180.09355	1.2
181.10133	10.3
183.08006	1.2
183.11707	8.6
185.09563	2.1
185.13264	4.9
187.11212	1.7
193.10124	4.3
195.11693	10.8
196.12416	1.0
197.13254	4.8
199.11125	2.2
199.14864	3.5
201.12735	1.8
205.10173	1.4
207.11720	3.4
209.13287	8.0
211.11185	2.0
211.14836	3.9
213.12793	3.9
213.16385	2.3
215.14407	1.7
221.13251	6.5
223.14862	5.1
225.12737	2.7
225.16319	2.2
227.14285	1.9
233.13306	2.3
235.14935	5.7
239.14316	4.2
241.15935	2.6
243.13795	1.4
245.15498	1.7
249.16470	2.3
253.15903	4.1
257.15375	2.4
259.17099	1.6
267.17371	1.7
271.16959	4.3
273.18442	1.2
285.18301	1.8
295.17184	1.1
305.22711	2.0
315.20923	1.8
323.23782	5.9
331.19016	1.3
333.22165	8.0
341.24792	7.0
351.23206	31.5
369.24277	29.2
387.25308	12.4
425.26849	8.0
443.27960	100.0
444.28342	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
53.95274	1.0
63.54027	1.1
65.24242	1.0
68.09926	1.3
70.06593	1.8
70.95486	2.3
72.08150	1.5
79.05492	4.8
80.62527	0.9
81.07056	1.0
89.03915	2.5
91.05492	11.7
93.07055	2.3
95.04953	1.9
95.08607	1.5
97.06534	2.0
102.04694	10.9
103.05466	7.0
105.07037	12.3
107.04972	2.8
110.09688	1.4
115.05490	4.6
116.06263	1.4
117.07027	1.8
118.04159	2.2
119.04953	14.0
121.06510	3.1
123.04439	4.2
128.06233	1.9
129.03322	1.8
129.07036	1.8
130.04149	24.5
131.04939	9.0
133.02858	4.5
133.06517	10.8
133.10075	1.1
134.03577	1.4
135.04416	9.5
137.05984	13.9
139.03896	5.0
141.07074	1.1
143.04976	1.5
144.05711	2.8
145.06471	4.0
146.03622	5.6
147.04424	49.7
149.06013	7.2
150.06763	17.5
151.03963	1.4
151.07539	2.2
153.01840	2.1
156.05728	1.7
157.06464	3.0
161.05995	32.9
162.06773	100.0
163.03859	1.4
163.07550	5.3
165.05495	2.6
173.05978	11.1
174.03143	8.8
177.05502	7.6
178.06267	1.5
179.07040	1.4
185.05971	1.9
186.03088	1.2
187.03905	4.3
188.04698	2.3
189.05492	2.5
198.03166	1.9
199.03983	1.6
201.05431	6.1
203.06989	3.1
207.06580	1.3
211.07578	2.4
213.05515	1.2
215.03416	2.8
215.07050	1.4
217.04955	21.1
229.05043	5.1
230.05731	1.2
231.06451	5.3
235.06023	3.7
244.74535	1.1
245.04456	16.2
247.05966	1.3
257.08127	2.6
283.05948	2.6
285.09207	1.4
288.07855	2.2
329.07800	1.3
331.09647	1.7
341.10376	1.2
351.12170	3.7
363.12305	23.3
375.08701	12.3
381.13303	3.5
395.11227	6.6
407.11423	5.5
425.12280	2.3
425.23077	2.8
443.23175	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	441.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05518	44.5
57.03444	16.4
57.07082	45.9
60.55682	1.2
67.05511	17.5
67.76385	1.1
69.07075	58.1
71.04996	1.5
71.08640	34.1
75.04467	1.6
79.05482	5.4
81.07064	27.1
83.04988	1.9
83.08629	45.2
85.06538	1.9
85.10191	21.1
87.04446	1.5
91.05466	2.5
93.07043	9.4
95.08614	26.0
97.06542	5.9
97.10179	30.1
97.97601	1.1
98.20795	3.1
99.08077	1.4
99.11740	2.6
99.99828	1.2
105.07055	1.8
107.08601	10.1
109.10170	15.1
111.08123	6.3
111.11747	7.9
115.07561	2.6
116.96461	1.1
119.08627	1.8
121.10154	11.6
123.11728	5.2
125.09634	5.8
125.13271	3.1
129.09125	3.5
135.11688	8.4
137.13239	2.6
139.11182	6.1
143.10645	2.1
149.13264	6.8
153.12791	5.8
163.14845	4.3
167.14331	4.2
171.13722	1.5
177.16394	2.7
181.15891	2.8
191.18048	2.6
195.17627	1.9
205.19543	2.7
209.18968	1.8
219.21040	1.5
223.20656	1.9
233.18965	1.3
237.22079	1.7
331.33759	7.2
331.37570	1.2
349.34631	14.9
408.48386	1.3
423.38318	15.2
441.39447	100.0
442.39441	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05515	51.7
57.03437	20.1
57.07079	56.5
59.04999	1.5
62.80288	1.2
67.05507	21.7
69.07072	71.7
71.04964	2.1
71.08633	37.8
71.43005	2.9
73.06559	1.7
75.04474	1.3
79.05506	8.3
81.07065	33.1
83.04990	1.6
83.08622	44.6
85.06528	2.0
85.10187	19.1
91.05476	1.7
91.54939	1.1
93.07047	14.8
95.08613	32.8
97.06545	9.8
97.10178	30.1
99.08103	1.4
99.11742	1.4
99.12914	1.1
101.06022	2.2
105.07017	1.7
107.08604	11.6
108.30129	1.1
109.10161	17.3
111.08108	5.8
111.11732	10.8
115.07581	2.5
119.08627	3.4
121.10144	14.9
123.11722	7.1
125.09679	6.8
125.13246	2.8
129.09062	2.0
130.14752	1.2
133.10118	3.0
135.11691	12.3
137.13300	2.4
139.11157	4.8
142.45554	1.3
143.10686	1.9
145.10161	1.2
147.11731	2.2
149.13287	9.8
153.12776	4.5
153.63382	1.3
157.12263	1.7
161.13304	2.2
163.14842	5.0
167.14317	4.7
177.16461	4.5
181.15883	4.2
191.17990	4.0
191.81445	1.3
195.17506	2.5
205.19542	2.0
209.19109	1.4
213.18413	1.9
217.19492	1.7
223.20618	1.6
237.22134	1.9
241.21721	1.3
331.33582	6.1
349.34750	14.4
423.38391	14.6
441.39444	100.0
442.39706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53691	0.4
65.03926	1.2
69.55578	2.6
70.06597	1.0
81.45390	0.4
86.09697	0.6
91.05487	22.4
91.11884	0.4
97.55439	0.4
105.03378	1.1
112.49728	0.4
119.04952	31.4
120.05300	0.8
123.04442	7.6
124.04783	3.1
129.03374	0.7
130.48901	0.4
132.02104	2.1
135.04425	0.6
139.03926	0.6
145.02843	0.6
147.04420	26.1
148.04677	1.0
149.02338	1.1
157.04015	3.4
160.98653	0.6
161.06001	1.2
162.03256	0.5
162.06326	0.7
164.04645	0.7
167.39679	0.5
169.06470	0.7
175.03922	48.7
176.04301	0.9
179.07068	3.2
192.04201	0.5
207.06540	100.0
208.06848	2.0
226.05748	0.9
229.04916	0.6
230.05287	1.0
232.97318	0.4
244.06828	0.9
269.45383	0.4
271.05869	0.5
272.06274	0.9
284.06448	0.6
289.07211	0.6
290.07422	1.6
302.07318	0.8
304.05835	0.5
331.31995	0.5
424.10971	1.1
442.13776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0977
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
51.09509	0.8
53.03935	1.0
55.01872	1.2
59.06423	1.2
65.03937	1.0
65.14194	0.9
71.02531	1.9
77.03934	1.5
79.01855	3.4
95.04961	1.3
97.02894	1.7
97.25801	0.8
105.03364	1.5
111.04458	2.4
115.05434	1.0
119.04903	1.4
123.04434	100.0
124.04726	1.2
125.02338	1.4
139.03912	68.8
143.03387	2.6
147.04410	7.9
151.03894	10.2
153.01843	35.0
153.02927	2.4
161.05899	1.4
163.03941	1.6
163.07593	1.1
165.05476	5.8
189.05521	1.0
207.06598	1.7
249.18652	0.9
255.06297	1.1
273.07559	3.9
291.08545	6.9
372.39548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01863	4.5
55.05513	13.4
57.03429	2.8
67.05509	16.3
69.07066	5.9
69.58189	8.7
71.04972	2.5
79.05494	18.0
81.03368	1.3
81.06657	1.5
81.07067	17.8
83.04987	1.5
83.08624	4.5
85.06571	1.2
91.05486	12.8
93.07044	9.9
95.04978	2.8
95.08614	16.2
97.06516	2.9
97.10165	6.1
100.97575	1.1
105.07047	9.8
107.04937	2.0
107.08628	10.2
109.10159	10.4
110.26998	1.2
111.08059	2.3
115.05462	2.1
117.07012	6.2
119.08574	5.3
121.06510	9.6
121.10227	2.8
123.04446	2.0
123.08063	4.6
125.09656	2.0
128.06236	3.3
129.07027	12.4
131.04945	11.8
131.08537	8.9
133.06497	5.4
133.10126	1.5
135.08063	2.5
137.09618	5.0
141.06996	7.5
143.08585	10.9
144.05701	5.1
145.06488	77.4
145.10118	3.4
147.08037	5.0
147.11633	1.5
149.09602	3.0
153.07108	1.6
155.04785	1.3
155.08534	5.0
157.06479	11.7
157.10141	3.4
159.08107	11.1
161.05984	8.5
165.06947	2.1
165.09113	27.7
167.08575	5.2
169.05206	1.6
169.06425	7.9
169.10121	5.4
171.08043	16.0
173.09517	1.6
175.03951	3.2
177.09131	2.3
181.06552	3.1
181.10127	3.2
183.08031	9.8
184.08821	2.5
185.09621	10.8
185.13223	2.4
187.11189	2.3
193.04996	1.6
193.10161	2.5
194.07465	1.4
195.08093	7.1
195.11699	12.2
197.09615	5.5
197.13235	6.5
199.11203	3.0
205.12292	3.0
207.11830	1.4
209.09554	3.2
209.13226	1.8
211.11205	4.2
213.12733	2.7
219.11780	1.6
223.11208	5.4
225.12772	5.3
227.14360	9.4
235.11247	4.4
237.12761	7.8
239.14235	3.3
243.13866	3.7
249.12677	1.5
255.13811	17.5
257.15314	1.9
273.14859	36.1
281.15317	3.2
283.16968	4.6
287.16342	1.6
293.15274	2.2
295.17401	2.2
299.16434	3.8
307.16730	1.8
311.16479	5.9
313.17981	2.5
321.22165	2.1
323.20062	2.2
325.17929	2.8
331.20444	2.3
339.23346	7.6
349.21680	32.1
367.22708	59.9
368.23138	2.0
377.24765	2.6
385.23721	5.7
387.23303	3.2
395.25458	2.7
405.24326	14.0
423.14075	3.3
423.25452	5.6
441.21091	5.8
441.26379	100.0
441.32709	3.1
442.26596	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08400	0.9
55.01864	1.2
57.03434	1.6
59.51493	1.0
65.03915	1.2
67.05496	3.2
70.06604	1.5
71.09029	0.9
79.05519	1.3
81.07050	4.3
86.09698	1.2
91.05484	1.2
91.68127	1.0
93.07054	1.5
95.04968	1.2
105.03423	1.0
105.07019	1.1
107.08572	1.3
111.04442	3.9
119.08631	1.1
123.04435	33.3
136.88127	1.0
139.03915	43.8
141.05487	1.3
147.04436	2.1
151.03923	48.8
151.05032	4.3
152.04303	1.2
153.01852	4.3
163.03984	2.0
177.80666	1.1
178.39185	1.2
189.05495	1.6
193.12070	2.3
203.07257	1.2
207.25752	1.1
233.04396	1.0
245.06380	3.1
257.04568	1.3
266.20465	1.1
271.06085	1.4
273.07645	3.2
289.07217	2.4
355.17340	9.6
397.18466	31.5
397.23907	4.0
441.17349	100.0
441.26184	5.6
442.17825	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	441.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
52.03165	0.8
53.03944	1.0
55.01862	2.0
55.05516	0.8
65.03928	2.5
67.05514	3.3
68.99792	1.7
69.03423	0.7
70.06594	1.0
70.89072	0.6
71.18027	1.1
75.16619	0.6
77.03909	0.8
81.03425	1.2
81.07069	1.5
83.04980	1.8
85.02908	1.0
91.05490	1.9
93.03396	1.0
95.04964	2.6
97.02905	0.8
105.03375	0.8
105.07016	0.7
108.02082	3.1
111.00831	0.7
111.04443	3.9
121.04017	0.6
123.04434	67.1
127.03897	0.9
133.10117	0.9
139.03908	86.2
140.04256	1.1
141.05495	2.1
147.04436	2.9
150.66640	0.6
151.03917	100.0
151.05034	9.9
152.04248	0.9
153.01846	1.4
161.06049	1.1
163.03886	0.8
163.07541	1.5
165.05518	0.8
167.03351	0.5
173.06020	0.8
189.05493	2.2
203.05232	0.7
231.06633	1.1
245.06441	1.1
255.06592	1.2
257.04517	1.3
273.07645	5.3
289.05228	1.2
337.16663	0.6
355.17361	3.0
397.18387	8.6
397.24197	1.1
441.17371	27.8
441.24500	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.32590	0.5
69.45143	0.9
69.45547	3.3
78.04717	3.5
79.05507	3.2
81.07047	1.2
91.05486	2.0
93.07003	0.6
95.04962	0.8
103.05479	4.1
105.07036	4.9
106.04174	3.0
107.04955	5.0
109.06511	0.6
115.05450	2.1
117.07004	1.2
121.06501	1.8
123.04441	5.7
124.05232	1.9
131.04932	7.2
131.08583	0.9
133.06494	5.0
134.03560	0.6
135.04448	0.6
135.08041	1.0
136.06189	0.6
137.05974	1.8
143.05910	0.9
145.06462	2.0
147.04411	1.8
149.05954	1.0
151.03905	2.6
151.07578	3.7
152.04684	1.5
155.06078	0.6
157.06464	0.7
158.07301	1.0
159.08006	1.7
161.05981	5.8
163.07552	12.3
167.07042	100.0
168.07474	0.9
173.06073	1.1
173.09683	1.2
175.07571	1.5
177.09093	2.4
178.67828	0.6
179.06996	3.9
181.08612	4.3
187.07596	2.6
189.09103	1.3
192.07826	0.8
193.08604	17.5
195.10020	0.6
201.09103	1.7
205.08646	0.7
207.10170	0.7
217.08540	0.6
219.10173	2.2
233.11670	2.6
237.11281	2.9
251.12672	0.9
263.10657	1.1
291.10211	0.8
295.13370	0.8
310.23837	0.6
323.12741	2.7
355.15393	11.1
371.52448	0.6
387.18094	5.4
405.19055	7.3
412.75369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17311	0.7
53.72748	0.8
58.75095	0.8
58.77874	0.8
70.06603	1.0
87.06052	0.8
91.05479	1.7
92.04984	1.0
105.03381	1.2
108.08101	0.9
119.04962	0.9
147.04419	2.7
151.05885	0.8
153.01833	2.4
154.05028	3.2
155.05336	1.2
156.05449	1.2
158.77945	0.7
163.03888	1.1
165.05588	0.9
175.03902	1.6
177.01566	2.5
179.77678	0.7
185.04152	0.7
190.28992	0.8
192.03949	20.4
193.04738	9.1
207.06461	4.6
227.05278	1.7
271.04306	3.3
355.09839	4.1
397.11072	40.3
441.10077	100.0
442.10666	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	440.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73817	1.0
55.01868	1.3
56.05025	1.1
65.16194	1.1
67.34304	1.2
68.37344	1.2
68.99776	2.0
69.07849	1.1
74.36459	1.2
81.03407	1.2
91.05488	2.9
91.98020	1.1
96.04472	2.5
103.05440	1.7
105.03430	1.4
108.04502	1.6
117.07008	2.1
118.06532	1.9
118.36034	1.6
119.04945	2.3
121.02862	1.1
121.67495	1.1
123.04441	27.6
135.04428	1.1
139.06715	1.3
144.08083	1.5
146.06026	2.6
147.04433	7.9
151.03876	2.2
158.06023	1.6
163.03961	2.5
165.05513	1.7
172.07552	4.0
173.05994	4.9
174.05521	2.5
175.03854	7.5
185.05998	2.9
186.05511	2.1
188.07094	1.5
189.05510	6.5
193.05026	2.3
199.03937	1.6
200.07112	6.3
201.05479	26.0
202.08650	1.8
203.06998	2.0
213.05460	11.9
214.08650	3.2
215.07133	1.8
216.06560	3.6
217.04939	1.3
224.07027	2.9
225.05466	3.3
226.08546	3.0
227.07085	2.6
228.06500	8.9
229.07288	2.0
230.08113	2.4
240.06479	1.9
241.04893	4.4
242.05850	1.3
242.08099	16.7
243.06512	2.1
244.09624	5.5
252.06631	3.0
254.08124	3.2
255.06430	1.6
258.07629	2.7
259.06036	1.9
259.08563	2.0
270.07620	100.0
271.08151	3.4
272.09174	18.8
282.07748	2.6
288.08755	3.2
300.08636	2.0
353.10004	1.5
354.86639	1.2
365.10516	2.9
380.11255	3.6
394.12766	6.0
397.47296	1.2
422.12347	67.9
440.13419	47.8
441.13617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	1.7
70.17624	3.4
70.63759	1.1
72.08131	1.1
79.05466	1.1
81.03421	1.3
86.23170	1.4
91.05479	2.5
96.04478	4.1
105.07022	1.3
108.04480	3.9
115.05481	1.2
117.07018	2.1
118.06654	1.0
119.04965	5.3
123.04449	50.9
123.05341	2.5
128.66225	1.2
129.06992	1.7
132.08099	1.4
135.04445	1.4
137.06003	1.7
137.73924	1.3
139.03955	1.4
140.03294	1.2
145.06509	3.2
146.04962	2.0
146.06024	17.9
147.04446	14.9
151.03914	1.9
157.06525	2.5
158.06033	2.2
159.04408	1.6
160.07607	1.9
161.05974	5.1
163.03949	3.3
165.05492	2.9
169.06445	2.4
172.07594	1.8
173.06056	4.8
174.05505	2.3
175.03970	8.7
177.05591	1.2
185.06140	1.7
186.05540	2.9
186.09187	2.1
189.05508	4.5
196.07611	1.6
197.06004	2.1
199.03836	1.3
200.07092	6.3
201.05492	31.5
201.07433	1.8
202.08617	1.9
213.05527	10.7
214.08655	3.6
215.07121	3.1
216.06624	3.5
224.06984	1.5
225.05513	6.6
226.08456	1.6
227.07059	3.8
228.06622	10.2
229.04982	3.7
229.07210	2.6
230.08113	1.7
241.05025	4.5
242.05870	2.2
242.08162	15.9
243.06593	3.8
244.09685	6.6
252.06615	1.9
254.08206	3.2
258.07663	2.7
270.07635	100.0
271.05988	3.3
271.08307	4.0
272.09225	17.5
282.07623	3.7
283.06137	2.1
289.07043	5.5
300.08707	2.5
365.10236	2.1
380.11334	3.9
394.13055	6.2
404.11365	1.9
422.12393	71.6
423.12347	1.6
440.13461	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73368	0.9
51.69455	0.9
53.03941	2.3
55.01872	2.2
55.05516	17.2
57.03439	6.8
57.07052	1.4
58.95842	1.0
59.05002	5.2
64.21961	0.7
65.03937	2.5
67.05507	100.0
68.05833	1.3
69.03420	2.3
69.07076	10.5
71.04990	4.9
71.16111	1.3
77.85339	0.8
79.05499	13.5
81.03422	30.1
81.07062	29.3
82.26516	0.8
83.04992	6.0
83.08620	15.5
85.02907	16.5
85.06545	3.7
91.05489	21.1
93.07047	10.8
95.04980	12.2
95.08607	10.5
96.04253	0.8
97.02892	1.4
97.06539	3.2
97.10167	2.4
99.08063	0.9
105.07033	11.9
107.04969	3.2
107.08603	6.3
109.06529	2.1
109.10162	66.2
110.10553	0.9
111.08073	8.9
111.11720	1.9
113.06006	1.7
114.10281	2.7
117.07018	1.7
119.08592	14.1
121.06584	1.0
121.10140	5.4
123.08028	1.0
123.11700	1.2
125.09647	2.0
127.11199	1.5
129.07048	5.2
129.12712	1.2
131.08563	5.6
133.06535	1.2
133.10139	4.7
137.09583	4.6
142.07747	1.2
147.08064	1.9
147.11696	9.4
149.02373	3.3
149.09637	3.1
149.13350	1.0
155.10687	7.0
157.10172	7.5
159.11902	1.2
159.90823	0.8
165.12801	3.0
173.11743	18.4
175.11203	6.9
193.12263	31.0
211.13315	30.7
211.15308	1.8
229.14406	1.8
267.15973	3.7
421.25900	1.8
439.26962	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2305
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
51.47295	0.3
51.52970	0.4
53.24595	0.4
55.05497	0.6
63.14785	0.3
65.49595	0.3
69.03440	0.4
69.56020	0.4
70.06574	0.5
71.18044	1.0
81.03384	0.4
81.07050	0.6
85.02881	0.5
91.05492	0.5
91.68571	0.3
93.07030	0.4
96.01863	0.7
97.02666	0.6
98.20583	0.3
103.09827	0.3
105.07064	0.6
107.08582	0.4
108.09870	0.4
113.02124	0.7
119.08559	0.5
119.67389	0.3
121.10202	0.6
125.02141	0.4
127.03778	0.4
127.85219	0.3
136.07539	0.3
139.03941	0.5
141.05229	0.6
151.03958	0.7
154.37668	0.3
157.04709	0.5
165.09186	0.3
169.04697	1.1
178.15575	0.3
186.05156	0.5
201.03711	0.5
203.05269	2.4
230.78204	0.4
259.16669	2.0
273.09378	0.4
277.15045	0.5
277.17691	2.4
281.95480	0.4
369.18799	5.9
394.17130	0.4
439.23047	100.0
440.22897	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	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01854	2.7
55.05266	1.3
55.05511	14.5
57.03439	8.1
57.07064	1.2
59.04991	3.9
65.03930	2.9
67.05511	100.0
68.05822	1.8
69.03422	2.9
69.07065	8.1
70.40811	3.3
71.04992	6.2
71.43750	0.8
79.05499	15.6
81.03425	28.5
81.06594	1.6
81.07063	29.7
83.05000	6.6
83.08627	18.0
85.02449	0.9
85.02917	14.7
85.06550	3.8
87.04453	0.8
91.05492	21.4
93.07044	10.9
95.04987	13.0
95.08620	11.4
97.02888	1.6
97.06544	2.5
97.10162	2.5
99.08096	1.3
105.07037	14.0
105.07697	1.6
107.04937	1.4
107.08595	7.1
109.06514	2.9
109.10165	66.4
111.08090	9.4
113.06005	2.0
114.10292	2.1
117.06982	2.4
119.08594	15.6
121.06488	1.7
121.10162	5.8
123.04475	0.9
123.11716	2.0
127.11178	1.0
129.07019	5.0
131.08604	6.3
133.10153	5.2
135.08008	0.9
137.09631	3.6
142.07773	1.5
147.08006	1.6
147.11703	11.0
149.02315	2.5
149.09602	3.4
155.10693	7.0
157.10138	6.9
165.12767	2.1
173.11752	17.1
175.11162	8.8
182.56281	0.8
193.12271	27.5
211.13312	33.9
215.60094	0.9
229.14397	1.8
267.15939	3.6
274.56061	0.9
368.18668	1.0
421.25906	2.5
439.26978	53.0
440.26440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49728	0.4
67.05511	0.5
70.06594	1.0
70.14107	0.9
71.04984	0.4
78.28638	0.3
81.03434	0.7
81.07051	1.0
83.05024	0.4
83.08620	0.4
84.08134	0.7
85.02914	0.7
85.85140	0.4
91.05495	0.9
93.07069	0.9
93.78317	0.4
95.04982	0.4
95.08616	0.7
95.19302	0.3
96.01858	0.4
97.02840	0.3
97.06533	0.4
98.21475	0.5
105.07021	0.6
107.08589	0.8
107.12892	0.4
113.02137	0.9
114.10290	0.7
119.08584	0.5
123.04445	1.5
127.03917	0.4
127.81621	0.4
128.11967	0.3
133.10092	0.5
135.04398	0.4
135.11703	0.4
139.03839	0.7
143.08563	0.4
145.10167	0.5
151.03882	0.4
157.04800	0.6
163.03961	0.5
165.05560	0.4
169.04730	0.6
203.05270	3.1
259.16669	2.8
277.17847	1.5
369.18839	6.8
396.23703	0.7
439.23041	100.0
440.22794	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	439.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03935	1.3
55.01865	0.9
55.05498	1.2
57.03424	0.5
64.72855	0.5
65.03934	0.7
67.05511	3.9
68.99786	1.9
69.03414	1.3
69.07076	0.9
69.58283	0.8
69.58689	1.5
72.08179	0.6
77.03928	1.5
79.05503	4.0
81.03410	1.0
81.07071	2.9
83.04987	0.6
83.08604	0.8
85.02918	0.5
91.05481	4.2
93.07047	14.2
95.04958	2.4
95.08607	1.5
97.02888	0.4
97.06536	0.8
105.03399	1.5
105.07021	2.3
107.04948	0.8
107.08599	3.5
109.06551	0.5
109.10183	2.5
111.00805	3.0
111.04468	0.9
111.08068	0.5
114.10287	0.8
117.06993	0.7
119.08590	0.9
121.06538	0.6
121.10152	7.8
123.04432	100.0
123.11739	0.5
124.04789	0.9
125.07883	0.5
127.03953	0.8
129.06984	0.7
131.08607	1.1
131.82443	0.4
135.04427	4.5
135.08026	0.4
137.06035	0.4
137.09592	0.5
139.03911	29.9
143.04912	0.4
145.06483	1.1
147.04422	8.9
147.05544	0.8
147.11598	0.5
149.09636	2.4
151.03902	9.2
153.05542	0.6
155.08870	0.3
161.06012	0.6
161.09662	0.5
163.03903	4.0
163.07535	2.0
163.11192	0.4
165.05559	0.7
165.09207	1.0
167.07086	0.4
167.10667	0.4
171.11739	0.4
176.03564	0.5
177.05595	0.4
181.06485	0.9
187.07597	0.6
189.05493	2.3
191.03375	0.5
191.07118	0.7
199.07550	0.9
203.07083	0.7
227.07001	0.6
231.10161	4.7
255.06584	1.4
256.97824	0.4
258.02850	0.4
259.08005	1.1
259.13400	0.9
260.11227	0.4
260.74374	0.5
269.11792	0.5
271.06070	0.9
273.07581	23.7
274.08008	0.4
276.74271	0.5
285.07605	2.2
287.12799	1.3
297.85574	0.4
303.08679	0.5
313.14331	0.6
421.16599	1.1
439.17487	3.2
439.23026	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	439.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28363	4.9
57.86971	4.0
58.22384	4.9
58.99873	5.6
71.49767	8.4
82.99837	7.0
91.05473	5.0
100.00083	5.2
101.00888	36.0
103.02422	9.8
106.07681	4.1
113.00873	9.3
115.02448	12.8
117.04008	25.6
118.01172	5.4
119.01939	53.6
127.02466	22.4
129.03947	9.3
131.01920	19.4
133.03461	23.8
135.05016	9.8
137.01785	4.3
137.02927	8.6
141.03989	5.8
142.01096	18.1
143.01894	25.7
144.99802	10.7
145.03500	100.0
147.01419	5.6
147.04265	8.8
149.02957	6.6
155.01930	6.0
157.03484	40.9
159.01303	10.6
159.04993	20.0
160.02165	12.3
161.02954	20.7
163.04507	18.7
169.03465	30.7
171.01364	17.2
171.05000	9.5
172.99365	15.8
173.02992	19.1
175.04544	35.3
177.02451	7.7
177.05547	6.0
183.04993	7.1
185.02954	18.9
187.00859	13.8
187.04547	35.5
189.02408	25.1
191.00319	7.6
191.04022	11.1
195.01389	19.0
196.99318	6.7
197.02933	6.9
199.00868	10.0
199.04459	10.2
201.02498	8.9
203.04018	17.4
205.01921	9.4
207.03419	7.5
213.02513	46.7
215.00313	9.7
215.04048	5.9
217.01967	6.9
217.05635	8.9
219.03555	8.7
223.00740	4.7
225.02492	5.5
227.04016	11.1
229.01764	8.2
231.03519	15.1
233.27441	4.8
235.06577	16.8
239.00328	14.3
241.01991	16.3
245.05057	21.8
251.02481	9.1
251.07748	9.3
253.07626	5.7
255.03642	7.4
257.01306	8.8
257.05130	7.1
266.99814	9.3
275.02493	15.3
275.05826	7.3
277.07660	13.5
285.01187	5.0
289.04019	9.3
289.07507	8.7
293.03558	5.7
299.02454	8.6
301.00421	15.0
301.03793	7.2
307.08655	4.7
315.05768	22.8
317.03650	8.7
333.03006	16.2
333.06482	10.8
343.01480	7.8
359.04477	6.8
361.02518	81.8
363.07629	6.0
403.03296	10.8
407.08603	9.7
421.04477	10.6
421.09750	7.3
439.13699	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	438.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13298	2.7
55.05508	3.5
57.07079	75.1
67.05503	2.7
69.07061	9.4
69.36248	16.5
71.08633	70.3
79.05505	2.0
81.07071	5.2
83.08614	3.8
85.10186	35.6
89.06036	100.0
91.05449	2.5
93.07061	2.1
97.10193	4.9
99.11742	8.5
107.07051	2.6
110.26105	2.0
111.11722	2.8
113.13278	4.1
119.08523	2.2
125.13245	3.9
127.14837	2.5
133.08607	64.4
133.15329	1.9
151.09659	5.6
177.11232	16.6
195.12292	3.2
198.45505	2.2
200.30247	2.3
239.14896	49.6
271.26184	2.3
421.35275	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	438.2854
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
53.03952	0.7
55.05514	3.3
56.05014	0.4
56.05853	0.7
57.03440	1.4
67.05510	13.1
68.05031	5.5
68.05846	0.5
69.03413	0.7
69.07070	6.5
70.03300	1.8
70.06597	1.0
71.04974	0.6
78.31553	0.5
79.05499	7.4
80.04986	0.6
81.03419	1.8
81.07060	10.4
82.06590	0.7
83.04969	0.6
83.08623	2.7
84.04514	7.2
85.02905	4.7
85.06561	1.1
91.05490	4.5
93.07054	8.3
94.07365	0.6
95.04992	1.3
95.08620	7.2
96.04488	1.6
96.08989	0.5
97.06541	0.7
97.10180	0.5
98.06062	1.4
98.09615	0.6
98.21435	0.7
99.08115	0.6
102.05559	1.3
105.07046	5.6
107.04967	0.7
107.08610	9.5
108.08123	0.5
108.08923	0.7
109.06572	0.8
109.10168	6.5
110.00558	0.5
110.10521	0.8
114.05531	9.3
117.07037	1.0
119.08597	8.6
121.06509	1.1
121.10152	3.6
122.09682	1.2
122.10524	0.5
123.08085	0.6
123.11674	0.8
124.07624	0.6
124.78719	0.5
126.98922	0.6
129.07068	0.6
131.08543	0.7
133.10146	6.2
134.09654	1.2
135.08092	1.3
135.11703	3.5
136.11224	0.7
136.12108	0.7
137.13272	0.7
142.05011	3.2
145.10136	1.2
147.08049	0.5
147.11694	5.5
149.09680	0.7
149.13304	2.8
150.09209	0.9
159.11745	1.0
160.06148	0.9
161.13245	7.3
162.12790	5.0
163.11226	2.0
163.14841	1.2
164.11658	0.7
164.14384	1.3
173.11749	1.2
173.13252	0.9
175.14821	2.6
178.16043	1.1
189.16443	0.8
193.12326	1.5
205.19519	1.3
211.13353	1.5
217.19604	2.4
227.12798	2.6
228.13165	2.2
246.14751	0.6
275.48431	0.5
292.15475	8.0
294.16937	3.5
308.18631	2.8
360.25101	0.9
368.20520	0.6
392.27969	21.4
393.28159	0.9
406.25879	2.0
438.28601	100.0
439.28436	3.5
456.51828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03954	1.0
55.01888	0.7
57.03441	1.2
58.08398	0.4
62.06085	4.3
65.03947	1.8
67.05501	0.9
68.99794	0.8
69.03440	0.8
70.97309	1.1
72.89244	0.5
77.03939	0.6
79.05505	2.4
80.06277	0.8
81.03427	0.8
81.07064	0.6
83.04996	0.5
83.16132	0.5
85.02930	0.5
91.05482	11.9
91.06020	0.9
93.03423	1.2
93.07037	1.3
95.04996	0.5
95.08596	0.7
96.04485	1.4
97.02883	0.8
103.05473	23.3
105.07044	5.3
106.02925	1.1
107.04978	1.1
108.05750	0.7
109.02898	0.9
109.06508	0.9
110.40756	0.5
111.04440	3.5
115.05510	0.5
119.04948	16.6
121.06516	1.2
123.04459	1.4
123.08083	2.5
124.03963	8.0
124.05216	1.7
125.05919	0.7
129.06996	0.5
131.04935	100.0
132.05287	0.8
133.02908	1.2
133.06502	2.6
136.05220	1.9
136.06165	0.5
137.05975	13.1
139.03914	9.9
139.04910	0.7
142.51004	0.5
147.04430	7.2
149.05972	0.8
150.06728	0.7
151.07552	17.2
152.08330	0.9
153.05478	3.4
161.05966	0.9
162.06740	1.5
163.07550	75.7
164.07881	0.4
165.05493	2.0
167.07021	1.4
168.14268	0.5
171.06546	7.8
173.06036	0.6
177.05449	2.4
179.07047	35.7
180.07811	4.1
191.07043	0.7
197.08101	20.1
206.53810	0.5
223.09724	2.8
235.09663	0.9
250.07190	2.0
268.08212	3.9
300.35068	0.7
303.39111	0.5
327.12277	0.7
438.24023	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	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05515	2.4
57.03442	2.4
57.31219	1.5
61.02924	3.5
67.05513	4.4
69.03438	8.8
69.07064	4.8
70.83381	4.2
71.05015	2.9
71.08639	51.8
72.08164	2.7
73.02928	1.8
79.79504	1.4
81.03410	9.3
81.07056	2.1
83.08598	2.5
85.02906	18.3
87.00838	8.5
91.03977	1.6
91.05470	2.3
92.64050	1.4
93.07079	2.6
97.02892	11.5
99.04440	3.0
99.08103	100.0
105.01868	5.5
109.02875	5.6
114.10285	6.5
119.60751	2.3
123.04481	1.6
127.03930	13.3
128.26416	1.6
129.01849	1.5
129.12767	10.7
133.81082	1.9
145.04951	5.1
159.02925	3.2
173.15388	60.0
177.26434	1.4
192.62476	1.4
194.59027	1.4
438.25064	4.3
439.23251	3.1
463.29333	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.6
56.05029	10.2
57.03421	4.1
58.99585	21.9
61.01135	3.3
67.05479	4.2
68.05026	6.5
69.03432	4.8
69.84873	14.1
70.02943	6.5
70.06626	3.0
71.04992	7.9
72.04509	6.5
72.05314	2.6
74.00668	9.3
76.02242	24.3
76.04002	6.6
80.05001	8.2
81.05795	2.6
83.06095	4.8
83.58424	2.5
84.04508	100.0
85.01134	33.5
85.02890	14.7
85.04015	4.7
86.00661	32.5
86.99060	69.8
88.02189	7.1
95.04970	6.2
96.04494	4.5
97.01097	9.5
97.06549	20.9
98.00591	3.1
98.21487	4.8
100.02193	3.5
102.03804	15.1
102.05524	14.1
108.04480	3.7
109.07616	5.0
112.02189	33.6
114.03751	12.7
116.01679	25.6
123.04437	5.1
126.03745	3.6
127.02135	6.9
127.96488	3.0
129.06575	5.4
130.03271	12.4
130.05023	32.9
132.01100	2.8
134.05980	3.4
136.03912	5.2
137.08383	5.7
139.03935	6.2
142.03242	23.6
143.02740	31.4
144.01149	5.6
145.06088	3.8
147.04404	2.6
153.06651	3.3
154.04999	37.6
155.08205	5.2
156.06465	3.7
158.02727	6.7
162.02225	13.8
169.04292	6.6
170.02710	3.6
170.06348	7.5
171.02245	7.0
177.03268	7.6
179.04852	11.0
181.06160	5.6
188.03786	4.3
188.07471	6.9
189.03302	98.4
195.14055	3.0
196.04305	11.8
205.06412	7.6
215.04855	45.3
217.06427	11.8
224.03795	4.7
233.05940	10.7
245.06003	5.3
257.09598	6.6
273.45789	3.9
276.05032	4.2
279.35153	2.9
280.08060	3.3
287.06940	13.9
291.10056	31.4
308.08994	2.8
309.11191	2.8
345.07578	4.6
362.10120	6.4
438.15433	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04819	0.9
55.01876	2.1
56.05025	4.6
57.03440	1.6
58.79258	0.9
58.99590	6.2
65.03931	1.0
68.05033	2.4
69.03430	5.8
69.07051	0.9
69.54474	6.0
70.02937	2.8
70.54258	0.9
71.04987	3.5
72.04508	1.9
74.00674	5.5
76.01892	1.1
76.02237	10.3
76.04001	3.1
80.05002	2.5
81.03415	5.5
82.06586	1.2
83.06086	2.5
84.04508	33.9
85.01136	10.9
85.02898	4.6
86.00664	13.1
86.98547	1.3
86.99057	21.8
88.02204	1.5
89.00587	1.6
92.05018	4.8
96.04491	2.3
97.01112	3.5
97.06530	10.2
98.00650	1.8
99.05577	1.4
102.03762	6.3
102.05550	3.0
108.04472	3.4
109.02862	3.4
111.04436	1.2
112.02205	11.4
112.03944	1.4
113.00583	1.1
114.03754	5.1
114.05516	2.0
116.01687	8.3
123.04432	3.5
124.04729	1.7
127.02116	3.3
127.03907	2.4
129.05530	1.3
129.06587	2.5
130.03226	4.1
130.04990	11.5
136.03937	6.4
137.08301	1.1
139.03899	3.3
140.01630	3.5
140.04240	2.6
142.03249	7.2
143.02750	12.6
144.01147	2.8
145.06084	1.6
147.04457	1.1
154.05000	100.0
155.05406	1.1
155.08133	2.4
156.06528	1.4
158.02751	1.1
162.02187	5.0
163.03886	2.0
164.04189	1.4
168.04845	1.5
169.04289	2.8
170.06339	2.5
171.02225	2.6
177.03293	2.3
179.04868	3.9
188.07381	2.7
189.03285	33.6
196.04253	3.9
205.06526	2.0
206.08412	1.9
215.04893	18.2
217.06459	7.1
224.03802	2.6
233.05882	3.2
256.73666	1.1
256.76505	1.2
257.09592	2.9
269.05832	1.6
280.08173	2.5
287.06967	5.7
291.10150	12.9
298.09268	5.4
345.07434	1.5
345.11136	1.4
362.10172	1.7
409.27673	1.0
419.30005	1.3
438.15384	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
69.03441	1.3
69.79538	1.0
69.79951	0.5
71.04984	0.3
80.05016	0.9
81.03427	0.5
84.04501	0.6
85.02914	1.2
86.99049	0.4
87.91122	0.3
92.05010	6.9
97.02922	0.5
98.21500	0.4
99.04433	0.5
108.04492	2.3
109.02885	0.5
123.04407	0.4
126.03137	0.3
127.03977	0.4
136.03947	13.0
154.05000	100.0
155.05345	1.1
177.28436	0.3
189.03322	0.5
200.66762	0.2
226.07062	0.3
239.55688	0.3
280.08182	22.9
298.09241	4.7
438.14029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
69.03424	1.3
71.02585	0.6
80.05012	0.6
81.03443	0.3
83.01388	0.3
84.04527	0.3
85.02898	1.3
86.00642	0.3
86.99035	0.3
92.05013	7.6
95.01357	0.4
97.02898	0.3
99.04462	0.7
108.04488	1.9
109.02885	0.6
123.04494	0.3
127.03924	0.7
130.05009	0.3
136.03946	13.7
139.03911	0.4
154.05002	100.0
155.05310	0.9
167.73836	0.3
215.05066	0.3
242.81059	0.3
280.08191	22.0
281.08441	0.3
298.09222	4.0
335.83728	0.3
335.95306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	15.8
67.05505	31.3
69.07049	17.3
69.57500	73.3
70.06583	23.3
79.05482	21.8
81.07045	46.1
84.04460	19.1
84.08121	16.1
85.02911	27.2
89.06015	38.4
91.05453	22.5
92.59157	14.6
93.07042	28.7
95.04980	16.5
95.08591	38.8
97.02887	19.4
99.70811	12.3
105.07023	27.5
107.08585	43.2
109.10144	34.7
119.08598	23.0
123.04427	42.9
133.06471	13.8
133.08630	16.1
133.10117	34.3
135.11638	29.0
139.03934	100.0
147.04410	45.5
174.34842	13.1
191.03429	18.3
203.17973	30.5
221.18974	34.2
339.89368	15.1
393.76297	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	437.1445
Annotation	Catechin 7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.02377	2.8
57.03428	8.4
60.85389	2.4
66.50102	2.0
68.99791	3.4
69.03435	6.0
70.67098	4.3
70.67459	3.7
71.04999	60.2
73.02915	2.5
74.26167	1.9
75.04490	4.8
78.76285	1.8
83.04974	2.8
85.02908	66.0
87.04489	2.9
91.05487	2.5
95.04966	3.3
111.04454	8.1
119.04929	5.4
121.06530	2.1
123.04436	100.0
129.05496	14.3
133.06511	3.0
135.04420	7.6
139.03909	95.1
147.04430	25.5
147.06586	2.2
149.06049	3.6
151.03896	6.7
153.05432	2.6
161.06007	6.6
163.03911	35.4
165.05481	23.1
175.14795	2.2
177.05516	7.9
181.04935	12.5
189.05484	6.5
193.05003	2.4
205.04994	15.6
207.06569	5.4
231.06517	10.3
249.07521	15.2
267.08676	8.6
273.07538	5.6
285.09863	9.7
291.08646	24.6
315.08652	2.6
328.59708	1.9
357.09695	5.7
383.11444	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
59.04988	2.1
69.03424	4.3
69.07065	2.2
70.03752	1.1
70.05165	4.9
71.04995	18.1
72.05336	2.1
73.06549	3.2
79.05475	3.6
81.06653	1.5
81.07059	16.5
85.02905	10.3
87.00829	2.0
91.05479	1.5
93.07044	11.3
95.08609	1.5
97.02879	1.3
97.06546	2.4
98.21518	1.2
105.01810	2.6
107.04957	4.3
107.08615	8.6
108.05287	1.5
109.02863	1.4
109.10147	2.4
111.08078	1.4
120.04465	3.5
127.03877	1.6
127.41832	1.1
133.10088	1.1
135.11699	21.0
153.01801	1.0
153.12752	100.0
154.03474	1.2
154.13036	1.8
170.12468	1.1
181.37395	1.0
379.13498	1.1
392.48459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.05509	2.4
55.95331	0.9
59.04994	1.7
59.96659	0.9
63.65329	1.0
69.03408	2.4
69.07097	1.1
70.05083	4.0
71.04996	11.1
73.06552	4.1
76.77874	0.9
79.05494	3.6
81.03442	1.4
81.07056	15.8
83.41351	0.8
85.02908	4.5
86.79935	1.0
87.00832	3.1
91.05479	2.6
93.07046	10.9
95.08615	2.1
97.02906	2.4
97.06526	1.6
98.21478	1.0
100.11242	1.1
105.01862	3.0
107.04936	1.3
107.08603	8.6
109.02876	1.2
109.10151	3.1
111.04437	1.2
119.08509	0.9
127.03924	2.1
135.11693	19.3
151.55203	1.0
153.12755	100.0
154.13179	1.0
231.05080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.05501	6.4
59.05009	3.8
67.05485	4.2
69.03413	13.2
69.07066	6.8
70.06573	6.3
71.04990	16.5
71.24739	4.6
73.02911	4.4
79.05482	10.0
81.03415	12.8
81.07065	22.8
85.02911	46.5
87.00821	16.7
91.05477	12.8
93.07042	21.1
95.08601	7.6
97.02914	21.4
97.06520	5.3
99.04407	5.3
105.01881	18.3
105.06992	6.0
107.08585	17.2
109.02882	15.4
109.10169	9.2
119.08515	6.2
127.03947	24.7
127.19548	4.2
135.11681	30.6
145.04948	12.8
145.10162	4.3
153.12746	100.0
159.02841	10.2
177.12610	6.2
195.13756	7.3
197.22501	3.9
267.00906	5.2
274.12857	8.4
397.26175	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	435.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.1
56.05041	20.3
57.07079	1.2
67.05511	11.1
68.05045	0.4
69.07075	8.5
70.06604	1.5
71.05892	0.9
71.08646	0.9
71.67009	0.3
72.04527	0.7
79.05512	2.3
81.07064	4.6
83.04980	0.6
83.08633	1.6
84.08158	0.8
86.80132	0.5
89.06053	0.6
91.05496	5.1
93.07065	5.0
95.04998	0.9
95.08617	5.4
96.08184	0.4
97.10201	0.5
105.07041	1.0
107.08603	1.7
108.08146	0.5
109.06532	1.4
109.10166	17.1
110.09705	0.8
111.08107	1.0
111.11725	2.2
112.07634	0.5
119.08596	4.4
120.93038	0.4
121.10146	1.1
125.09634	0.8
126.12833	1.1
135.11708	0.5
136.11221	3.1
137.09630	4.6
145.10138	0.9
147.08040	0.5
147.11636	0.7
154.12283	100.0
155.08604	0.5
155.12611	1.5
171.14943	70.6
172.15303	1.2
195.11739	0.4
209.13275	0.5
409.26291	0.4
417.38412	0.5
418.36957	2.8
435.33136	0.6
435.39328	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75522	1.5
57.03432	5.3
69.03423	4.1
69.49979	10.0
71.04655	1.9
71.04997	18.1
75.04476	3.0
79.05502	2.7
81.03419	2.1
81.07070	1.6
85.02897	17.7
88.52403	1.4
89.44428	1.5
91.05469	3.2
95.04972	2.0
95.06104	2.1
98.20758	2.8
103.05465	2.6
105.07039	22.1
107.04982	2.8
109.06548	1.4
113.09631	3.4
119.04885	1.8
122.03673	2.6
123.04439	22.1
127.03929	9.2
128.04254	4.7
129.04492	2.2
129.05487	3.7
131.11870	1.5
133.06506	53.6
135.04427	2.3
136.03885	2.4
137.05991	100.0
139.03926	19.9
147.04433	7.0
151.03917	2.0
154.05013	12.1
161.06082	2.1
163.03964	7.5
163.07524	4.4
165.05511	3.5
165.09126	35.1
175.07602	4.8
181.04938	2.6
181.08557	1.9
183.10182	22.8
203.10576	2.6
205.04941	2.0
221.11627	3.1
239.12755	3.9
246.04532	2.6
249.07623	2.2
257.13855	39.8
280.08188	2.4
284.06314	1.8
291.08597	4.6
327.91422	1.5
392.28995	1.9
436.11032	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	435.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01864	1.2
55.05516	12.9
57.02081	0.9
57.03428	2.3
59.04984	3.9
60.55136	0.9
65.03930	3.6
67.05508	100.0
69.07068	7.1
70.63428	2.3
71.04978	2.7
73.06570	1.0
79.05498	39.1
81.03419	4.3
81.06599	1.4
81.07064	32.5
83.04977	5.5
83.08643	7.8
85.06532	2.9
91.05487	33.4
93.06483	1.7
93.07050	29.3
95.04974	9.1
95.08059	1.6
95.08615	17.7
95.20541	0.9
97.06486	2.8
97.10188	1.6
99.08106	1.3
105.04532	1.2
105.07041	21.8
107.04965	3.5
107.08599	10.9
109.06520	3.4
109.10164	57.8
111.08073	2.5
117.07023	4.2
119.08591	14.3
121.06506	1.4
121.10126	2.3
123.08070	2.5
127.07545	1.2
129.07024	8.2
131.08586	2.1
133.10141	6.3
135.11653	1.1
137.09595	3.4
143.08531	4.0
145.10170	5.7
147.11687	16.4
155.10675	6.8
161.09612	1.8
161.13278	7.5
171.11688	15.6
173.11755	12.4
189.12703	5.9
207.13817	17.4
225.14833	1.6
280.82449	0.9
288.43677	1.1
435.27441	41.3
436.27927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03953	5.3
55.01863	1.2
55.05515	14.7
57.03423	3.3
59.04983	3.7
65.03928	3.8
67.05509	100.0
68.05828	1.2
69.07076	5.1
71.04980	3.4
71.11072	0.8
72.04366	0.9
73.06521	1.1
79.05499	33.6
81.03415	5.7
81.06592	1.8
81.07061	32.0
83.04982	6.4
83.08621	7.0
85.02937	0.9
85.06541	3.0
91.05486	30.6
93.07050	29.4
95.04983	8.6
95.08609	14.6
97.06535	2.6
97.10184	1.9
105.04523	1.4
105.07033	18.4
107.04941	2.8
107.08608	9.4
109.06545	4.3
109.10160	51.0
110.10472	1.1
111.08112	1.7
117.07021	4.1
119.08586	15.0
121.06510	1.4
121.10085	1.0
123.08041	3.0
128.06204	1.4
129.07005	8.2
131.08620	1.0
133.06497	1.0
133.10143	5.5
135.11728	0.9
137.09598	2.7
143.08591	4.0
145.10136	5.1
147.11697	15.8
155.10672	5.5
161.09644	1.7
161.13275	5.3
161.14455	0.8
171.11713	12.5
172.52303	1.0
173.11754	10.7
189.12688	4.7
207.13802	13.8
225.14825	1.5
229.14236	1.1
281.17523	1.1
435.27426	33.3
436.27621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2745
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03951	3.2
55.01881	1.8
55.05515	13.8
56.20094	0.7
57.03440	3.2
57.07079	1.3
59.05013	3.8
59.05263	0.7
65.03944	3.8
67.05511	100.0
68.05794	1.0
69.07069	6.8
69.63419	4.1
71.04996	2.9
72.20511	0.8
79.05500	38.5
81.03435	3.1
81.07066	32.6
83.04987	6.5
83.08628	6.6
85.06540	2.5
89.60082	0.7
91.05486	28.3
93.07049	29.1
95.04973	9.1
95.08617	17.6
95.09179	1.5
97.06532	2.3
97.10176	1.2
98.20798	1.4
103.05475	1.1
105.04497	1.0
105.07036	18.5
107.04984	2.8
107.08611	9.0
109.06540	3.1
109.10167	48.9
110.10498	1.0
111.08096	1.9
115.05448	1.0
117.07050	5.3
119.08592	11.6
121.06558	1.2
121.10165	2.7
123.08085	2.5
127.07564	0.8
128.06242	1.4
129.07004	8.4
131.08650	1.3
133.10155	5.1
137.09648	1.9
143.08568	3.8
145.10127	4.3
147.08076	0.9
147.11710	16.3
155.10666	4.5
161.09627	2.6
161.13255	6.1
171.11713	13.8
173.11755	10.2
179.14357	1.0
189.12714	5.2
207.13794	12.9
225.14871	1.5
281.17368	0.8
417.26355	0.8
435.27463	32.7
436.27948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93462	1.3
59.81425	1.6
67.05511	1.6
69.03442	2.1
70.06580	1.3
71.05004	1.8
71.42740	2.9
79.05517	1.9
81.07055	1.7
85.02893	3.7
86.09706	2.8
86.77041	1.4
91.05476	6.8
93.07050	1.4
99.31920	1.3
102.81095	1.3
103.05457	1.8
105.07037	4.4
107.04955	4.3
117.06970	1.6
119.04952	4.4
121.06539	3.0
123.04444	7.8
125.05962	1.3
128.06198	1.2
129.07010	4.8
131.04945	1.8
131.08530	1.6
135.04462	2.0
135.08115	1.9
137.05991	21.5
139.03935	3.7
145.06537	2.8
147.04436	3.5
149.05949	2.0
151.07553	14.8
157.06491	2.8
161.04631	3.0
161.05991	63.9
161.09647	15.0
163.07576	4.8
167.07092	2.2
174.06764	2.6
174.72173	1.4
175.07568	5.5
177.09229	1.7
181.05002	3.2
189.09106	37.1
193.44969	1.2
195.02940	3.1
195.08037	2.7
207.10178	45.1
207.12097	2.6
227.10681	2.0
233.08113	3.1
241.08591	1.6
255.10312	3.7
273.07718	1.9
273.16739	12.2
281.11615	1.4
285.11374	2.9
287.12878	7.3
300.15985	1.4
313.14435	7.0
319.12991	1.5
331.15454	5.5
375.99887	1.3
405.19650	1.4
435.22046	100.0
436.22403	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01876	3.6
55.80552	1.1
56.61064	1.0
57.03436	1.4
65.03928	2.3
67.05499	2.0
70.96278	1.9
71.05015	1.4
77.03909	1.4
79.05496	10.9
81.03417	1.5
81.07068	2.8
82.04045	1.3
83.04967	1.2
85.02914	1.7
91.05483	24.7
93.07043	12.7
94.04147	1.1
95.04964	8.5
95.08647	1.4
95.65889	1.1
97.02859	1.1
99.04368	1.1
103.05463	13.2
105.03392	1.3
105.04543	2.7
105.07036	13.2
106.04131	1.7
107.04955	34.5
109.06525	2.8
110.03643	1.4
111.04440	2.1
115.05445	4.0
117.07009	7.6
119.04951	8.0
119.08543	2.6
120.05727	3.4
121.06511	22.9
122.03687	2.1
123.04417	9.5
123.08057	1.2
124.05208	5.2
125.05994	3.9
128.06239	10.6
129.06044	1.5
129.07010	29.9
131.04942	8.7
131.08565	13.9
132.05667	1.8
133.02856	2.8
133.06534	5.8
133.10143	1.4
135.04411	4.0
135.08047	7.4
136.05197	1.9
137.05991	23.2
138.03134	2.0
138.06827	2.0
139.03894	2.6
139.07588	1.2
143.04964	1.9
143.08577	1.8
144.05705	2.6
145.06482	8.4
146.03641	1.5
146.07256	3.0
147.04424	7.8
147.08063	2.6
148.05180	4.8
149.05988	10.0
149.09618	2.1
150.06750	3.6
151.03954	5.5
151.07542	20.5
152.04689	4.5
152.06186	1.7
153.05484	20.0
153.06825	1.9
155.07069	2.8
155.08607	1.3
157.06488	21.2
158.07190	1.4
159.04405	1.6
159.08067	3.8
160.05226	1.8
161.05983	37.1
161.07272	2.4
161.09604	8.8
162.06702	3.9
163.03940	1.4
163.07558	23.8
165.05486	4.3
165.07008	7.6
165.09094	10.3
166.06291	14.7
166.07671	2.2
167.07062	76.5
167.08534	5.7
168.07430	1.5
169.06403	2.2
169.10152	1.5
171.08089	2.0
173.05998	2.1
174.06761	15.2
175.07559	12.4
177.05444	2.3
177.06958	1.9
177.09113	10.3
178.07773	3.0
179.07291	5.9
179.08328	5.8
179.10696	1.3
180.05630	1.2
180.07768	1.5
181.05051	4.2
181.06599	5.1
181.08598	100.0
182.07327	7.1
182.08801	1.7
183.08040	2.7
187.07535	1.9
189.09116	81.4
190.07819	1.7
191.06998	2.8
191.08611	4.5
191.10721	2.1
193.06470	5.2
193.08522	2.5
193.10173	1.9
194.07307	6.1
195.08057	14.2
196.08804	1.4
197.05978	4.9
197.09631	10.0
198.06738	2.2
199.07512	3.0
201.05574	1.4
203.10626	1.5
205.06573	3.1
205.08539	1.8
206.07346	1.3
207.08083	4.6
207.10168	13.9
208.05280	2.1
208.08826	4.1
209.06027	3.2
209.09695	2.6
210.06773	6.3
211.07539	9.1
211.11238	1.4
212.08305	3.4
213.09116	2.9
214.09953	1.3
218.07291	2.0
219.08118	8.1
219.10011	2.3
220.08711	2.1
221.06084	6.3
221.09708	2.2
222.06735	3.5
223.07605	10.0
223.11240	6.0
224.08344	3.6
225.05525	2.8
225.09105	18.7
226.06168	2.1
226.09578	1.2
227.07054	10.6
227.10625	3.0
229.12347	1.7
234.06630	1.6
235.07547	5.6
236.04692	2.3
236.08324	5.3
237.05553	2.8
237.09102	6.6
238.06297	2.9
239.07074	5.8
239.10675	4.4
240.07851	5.2
241.08627	11.1
242.09248	2.2
247.07507	5.0
249.09007	2.7
250.06291	1.7
251.07095	8.7
251.10779	6.9
252.07916	3.3
253.08606	17.9
254.05537	1.4
254.09338	3.5
255.06601	6.6
255.10213	10.6
257.08063	2.9
257.11780	13.7
259.09598	2.1
264.07730	1.6
265.08606	5.1
267.06772	2.5
267.10168	7.4
268.07321	4.0
268.11014	1.7
269.08093	10.8
269.11594	2.1
270.08844	6.6
271.09665	1.8
271.13391	2.0
273.07925	1.2
273.11203	2.2
278.09598	1.2
279.10181	8.4
280.11044	1.8
281.07919	2.8
281.11829	1.6
282.08905	2.3
283.09674	22.1
283.13245	9.4
284.10406	3.5
285.07684	4.2
285.11182	37.6
286.11584	2.2
287.09155	2.8
289.05972	1.5
296.10501	3.6
297.11273	6.9
299.09103	3.4
299.12726	5.6
300.09622	2.1
301.10641	3.4
301.14240	2.3
302.11444	8.4
311.12830	10.3
313.10730	1.9
314.11511	2.2
315.12262	24.9
316.12949	7.0
317.13870	30.7
327.11990	1.8
328.13010	1.7
329.13699	8.3
331.11887	1.3
331.15320	7.7
343.15381	21.1
343.19156	1.8
345.13409	2.0
346.14154	16.6
358.14133	2.2
359.14880	13.6
360.15668	60.3
361.16455	52.0
361.20966	2.5
362.16840	1.5
403.17590	2.2
435.10825	1.6
435.20212	2.8
441.23206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	Dihydrogenistin
Peak:m/z	Relative Intensity
57.03432	17.6
63.17078	3.7
68.99800	4.2
69.03436	68.6
70.76418	11.0
71.05000	78.3
79.05514	4.0
85.02908	82.6
91.05484	4.6
107.04961	100.0
111.04440	4.3
114.93365	3.7
119.04925	5.2
121.02874	12.1
123.04416	5.2
129.05508	17.4
135.04428	15.6
147.04402	11.2
149.02348	16.0
153.01810	35.6
159.16280	4.2
163.03961	7.6
165.01859	24.8
165.06912	4.5
173.02390	9.1
175.03961	5.5
177.01836	13.8
183.02849	6.4
191.03415	11.4
195.02876	40.1
203.03358	9.2
211.07555	4.3
215.03311	4.5
215.07054	10.7
217.04962	6.0
219.02960	8.7
222.12949	4.7
239.07060	18.0
242.05617	4.2
243.06570	12.5
245.04503	13.7
255.06519	17.1
257.07993	3.9
263.05527	23.0
267.06580	14.6
271.05917	11.4
273.07541	17.4
281.08377	6.3
285.07639	18.9
289.06958	12.0
295.05951	9.7
301.07013	4.3
307.09683	4.9
309.07513	11.6
313.07208	9.4
331.08096	14.2
335.09207	3.9
353.10056	13.0
355.08151	9.2
381.09729	12.5
399.10599	14.1
435.12766	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	435.129
Annotation	Dihydrokaempferol-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
52.57373	6.6
57.03424	18.6
69.03430	62.5
71.04662	7.0
71.04995	87.7
76.92002	6.2
77.63624	6.1
79.05469	6.9
81.03384	9.6
85.02446	6.9
85.02908	79.2
91.05505	7.6
95.04970	7.4
97.06556	6.4
103.17513	6.6
105.07021	8.1
107.04973	100.0
112.52174	5.8
118.90697	8.1
121.02878	11.2
123.04460	15.0
129.05479	22.5
135.04396	21.8
138.70673	6.1
149.02396	8.0
153.01808	27.4
153.12758	33.6
161.05991	8.4
163.03879	9.0
165.01831	24.5
165.06998	6.8
167.07011	26.3
173.02414	15.4
177.01833	6.2
181.04959	42.1
191.03419	12.4
195.02953	33.6
203.03418	8.0
215.07050	10.1
219.02870	13.9
233.08055	28.9
234.44969	6.8
239.06958	15.6
243.06636	8.8
245.04459	21.8
255.06439	15.3
263.05548	25.0
267.06409	10.9
270.68640	7.3
271.06146	9.4
285.01215	7.0
285.07587	15.2
289.06973	14.0
295.05789	8.5
301.07245	6.8
313.07053	14.5
335.09061	8.6
336.19858	6.3
353.10196	13.8
381.09750	9.6
417.15598	13.1
435.12701	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11557	3.6
53.03947	5.9
55.01886	5.7
55.05500	18.0
61.02926	4.9
67.05494	19.6
69.03419	12.7
69.07061	19.2
69.59058	31.7
70.06600	4.5
71.04984	34.3
71.30268	4.5
79.05495	18.1
81.03392	4.2
81.07054	43.6
83.08633	12.4
85.02910	24.8
91.05482	29.9
93.07044	48.4
95.08600	62.3
97.02917	6.6
97.06528	9.8
98.20761	8.9
105.07031	64.6
107.04961	26.5
107.08599	51.4
109.06497	5.3
109.10156	29.2
111.08125	5.0
117.07030	6.3
119.08590	34.9
121.06506	4.5
121.10157	34.0
123.04460	4.6
123.11703	9.9
125.09634	22.3
131.08562	15.3
133.10132	100.0
135.11676	16.1
143.10690	32.3
145.10129	28.0
147.11671	39.1
149.13251	63.1
159.11691	31.0
159.55048	4.1
161.13271	13.5
167.07068	13.4
167.14319	84.6
173.13217	5.1
191.17998	4.7
201.16412	24.9
203.18004	5.9
213.99544	4.9
219.17436	70.6
224.20862	4.5
237.18359	11.0
273.11249	8.1
278.11392	4.6
434.25876	4.6
445.90192	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.4
57.03425	5.9
61.02916	4.5
67.05486	16.8
69.03415	8.6
69.07056	14.1
70.06583	4.8
71.04994	39.4
71.51402	8.6
73.02898	8.5
73.06534	4.0
73.92693	4.2
79.05489	23.6
80.63351	3.6
81.03408	6.6
81.07063	46.0
83.04969	5.6
83.08618	5.4
85.02909	21.8
85.06511	6.8
87.04466	7.3
89.06042	22.3
91.05453	22.5
93.07032	35.7
95.04965	6.1
95.08617	34.4
97.02886	11.2
97.06532	8.1
99.08088	10.9
103.05443	5.5
105.07022	47.5
107.04927	7.7
107.08605	39.1
109.10165	25.5
114.10279	10.9
117.07076	7.0
119.08546	19.7
121.06499	6.0
121.10142	24.2
123.04430	8.0
123.11659	7.0
125.09614	34.4
127.11182	11.2
131.08560	11.4
133.08589	11.8
133.10136	100.0
135.11699	6.9
137.06020	5.4
143.10667	47.2
145.10130	15.2
147.11699	21.1
148.05185	4.6
149.13249	31.0
151.11177	14.2
159.11729	12.4
161.05923	4.0
161.13297	12.0
167.07019	15.5
167.14325	91.7
177.11230	4.5
189.09149	11.2
191.07060	6.8
201.16420	14.5
209.08258	4.9
219.17441	98.5
237.18602	19.0
256.07358	19.9
257.07654	44.7
271.09634	8.9
272.09885	22.3
302.07230	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	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22468	9.8
56.34379	8.5
58.33541	8.9
69.07086	12.6
70.06580	13.2
70.39159	32.1
71.04994	47.3
73.59224	8.2
79.05486	28.1
81.07061	44.2
85.02911	17.4
89.29915	7.7
89.40971	9.5
91.05477	29.9
91.75397	9.4
93.07045	28.8
95.08614	35.0
99.08111	12.9
105.07033	54.9
107.08591	32.4
109.10194	9.4
112.48678	9.6
114.10288	11.9
116.41702	9.6
119.08617	14.4
121.02832	13.2
121.06521	8.4
121.10162	19.2
123.11710	12.5
123.38834	8.5
125.09631	40.3
127.11233	8.7
131.08572	12.2
133.10158	95.9
143.10684	44.4
145.10175	17.0
147.11696	12.2
149.13298	21.7
151.11157	12.2
153.01857	20.8
167.14334	68.2
201.16418	16.4
202.09932	12.2
217.95029	10.1
219.17458	100.0
230.28200	11.6
237.18542	18.6
238.58969	8.7
272.06253	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94419	0.3
53.03937	0.6
57.03412	0.5
62.06088	0.4
65.03915	0.4
66.04722	0.3
68.06435	0.3
69.03436	0.5
70.81997	0.7
77.03925	0.3
79.05484	3.4
90.04690	0.5
91.05479	5.1
93.07037	0.5
94.04176	0.3
95.04985	0.8
97.02903	0.3
103.05463	5.1
104.06248	0.7
105.07031	10.4
107.04971	1.4
108.05760	0.4
109.02884	0.7
109.06513	0.9
115.05452	0.8
117.07001	0.6
118.04158	12.2
119.04963	6.0
120.05729	1.1
121.06504	1.5
122.03625	0.5
122.07262	1.0
123.08067	0.5
124.05215	5.9
131.04913	0.9
132.05688	0.6
133.02824	0.5
133.06493	18.2
134.07254	1.3
135.04440	1.5
135.08054	3.0
137.05971	5.3
147.04414	7.1
147.08052	0.6
149.06003	0.9
150.06758	6.9
151.07541	2.9
161.05986	3.8
162.06813	0.3
163.07527	1.0
165.05469	0.6
165.09113	11.6
175.07568	0.8
177.09132	0.6
178.06239	0.6
179.07030	3.1
193.08604	100.0
194.08926	1.8
205.39633	0.3
214.15556	0.3
323.12854	2.2
348.62723	0.3
355.15411	0.9
422.78064	0.3
434.21671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01864	0.8
55.05519	0.5
57.03422	0.8
62.06081	0.7
64.30861	0.3
65.03944	0.4
66.04723	0.5
67.05524	0.9
69.03423	0.7
69.37383	3.2
70.06592	1.0
79.05495	3.3
81.07040	1.2
84.08124	0.4
85.02885	0.7
91.05483	5.0
93.07057	0.9
95.04956	1.0
95.08575	0.8
97.02882	0.7
103.05468	3.5
105.07039	10.9
107.04951	1.6
107.08595	0.5
108.05744	0.4
109.02866	1.2
109.06525	0.7
114.10284	0.4
115.05466	1.3
118.04169	10.5
119.04941	6.6
120.05726	1.0
121.06500	2.0
122.03609	0.6
122.07278	1.5
123.04445	1.1
123.08077	0.8
123.11807	0.4
124.05214	6.5
131.04906	0.7
133.02873	1.3
133.06496	18.3
133.10124	0.5
134.07263	1.4
135.04413	1.7
135.08075	3.2
137.05981	5.8
139.03865	2.2
143.08606	0.4
144.04471	0.5
144.83730	0.4
145.10110	0.6
147.04417	6.9
149.05981	1.2
150.06767	6.7
151.07555	3.1
161.05974	3.6
162.06589	0.4
163.07576	0.5
165.05458	0.5
165.09120	10.1
167.07063	0.8
175.07631	0.8
177.09117	0.6
179.07031	3.8
181.04988	0.4
193.08614	100.0
193.46049	0.4
194.08942	1.6
282.43304	0.4
323.12759	2.2
355.15402	1.0
356.70831	0.4
434.21091	0.7
434.26086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	16.6
59.05007	3.1
60.04515	1.9
61.02933	2.4
67.73868	1.7
69.03433	77.4
69.31222	11.4
69.31651	2.9
73.02911	3.3
81.03418	4.5
85.02912	70.9
87.04474	55.6
97.02897	66.1
97.03532	3.3
98.21544	3.2
99.04459	2.8
105.07026	4.6
109.02876	4.6
115.03938	80.0
127.03930	12.4
133.04974	100.0
145.04962	27.3
150.07613	12.7
163.06020	8.3
232.54033	2.0
241.07039	2.9
242.19386	1.7
259.08063	3.7
277.09332	2.0
295.10382	1.9
330.83987	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76250	2.3
53.03928	3.3
55.05527	2.3
55.29364	1.8
56.57843	1.9
56.96529	2.1
57.03428	4.8
61.02929	2.2
69.03426	11.4
70.06583	5.1
71.04980	4.5
71.51516	2.7
72.08146	5.0
73.02913	6.9
74.09723	5.0
76.86748	2.0
81.03411	8.9
85.02907	11.6
86.09704	2.5
91.05440	2.3
97.02888	5.9
99.04446	9.3
105.03351	2.7
109.02852	3.6
115.03925	2.7
116.91691	1.9
117.05464	5.1
118.06522	3.9
120.04450	17.6
122.06029	5.9
123.04402	6.6
124.07592	4.1
127.03926	58.3
128.04242	29.8
130.06517	3.7
131.74434	1.9
132.04462	40.1
134.06006	7.0
137.05975	6.7
138.05489	5.1
141.05444	3.4
145.04883	2.9
146.06033	7.8
147.04446	3.2
150.05516	15.3
151.03876	3.9
153.01756	5.6
153.05452	2.5
154.02240	2.5
157.07663	2.7
158.05984	3.8
165.05501	7.8
172.07581	9.0
177.05460	4.6
179.07047	2.4
183.06544	5.6
187.04121	2.0
188.07137	2.0
200.07028	6.8
218.08194	16.2
219.08403	2.2
234.96803	2.7
236.09190	5.7
243.06557	2.2
254.10281	9.1
258.13400	6.6
272.11325	100.0
303.08664	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	433.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01871	10.0
55.05517	29.4
57.03437	8.0
65.03933	3.4
67.05181	2.4
67.05511	33.8
69.03441	3.2
69.07081	9.7
71.05011	2.1
71.05511	3.5
79.05502	45.3
81.03425	6.1
81.07057	28.4
83.04977	5.7
83.08628	12.4
85.06549	3.3
91.05492	33.2
93.07051	27.0
95.04976	30.3
95.08607	14.6
97.06557	4.8
97.10184	20.4
98.20876	1.7
103.05507	3.2
105.07034	22.6
107.04973	14.0
107.08601	17.6
109.06525	5.4
109.10184	9.1
111.08121	3.5
115.05464	4.1
116.06268	1.8
117.07034	16.6
119.04935	2.9
119.08584	11.3
120.08990	1.3
121.06524	18.5
121.10143	18.5
123.04419	1.6
123.08112	7.9
125.09621	18.2
128.06256	4.2
129.05533	3.6
129.07001	21.7
131.04941	12.4
131.08572	25.0
133.06502	8.3
133.10139	7.7
135.04414	1.6
135.08078	8.7
135.11662	2.1
137.09618	2.1
141.06946	9.9
142.07756	2.6
143.08557	13.6
145.06508	21.2
145.10146	11.7
147.08070	9.1
147.11662	3.0
149.09648	17.8
151.11118	1.5
153.09070	2.0
154.07794	2.6
155.08600	8.4
157.06497	3.2
157.10123	5.6
157.22545	1.4
159.08075	6.6
159.11746	8.6
161.05960	1.8
161.09627	6.1
161.13277	3.0
163.11194	5.4
167.08577	4.5
169.06456	2.3
169.10149	11.3
171.08038	4.8
171.10246	2.9
171.11676	16.9
173.09689	7.2
175.11226	2.8
179.08586	3.2
181.10170	3.2
183.08150	1.9
183.11688	4.5
185.09645	4.4
185.13307	4.1
187.11140	9.0
189.09138	3.4
189.11217	9.9
189.12801	11.3
191.10730	2.0
193.10234	3.0
193.12227	2.6
195.11693	4.2
197.09651	3.3
197.13292	3.2
199.11208	3.1
201.12798	3.2
203.10680	1.6
205.12267	7.8
209.09616	1.7
209.96638	1.5
211.11269	4.8
212.11819	1.9
213.12781	2.5
215.10719	3.4
215.14310	1.9
217.12332	1.6
223.13312	4.2
225.12827	4.4
227.12840	3.9
229.12331	5.1
231.13947	2.0
231.22298	1.4
237.55112	1.4
239.14369	2.6
243.13817	6.6
249.14861	2.8
257.15408	5.0
267.15955	5.9
267.43674	1.7
269.32928	1.5
273.14850	3.2
295.20731	3.7
299.20056	1.5
313.21661	9.8
323.20105	24.4
341.21130	100.0
342.21295	1.8
359.22076	9.1
397.23730	3.5
415.24872	32.5
433.25885	70.4
434.26230	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	433.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
54.67847	1.2
55.01867	2.2
57.03437	1.6
61.02922	3.0
64.57198	1.0
65.74667	1.1
67.05497	1.4
69.03440	7.5
69.07056	1.5
70.06595	3.2
70.91169	1.3
70.91517	1.7
71.04991	1.3
72.08194	1.3
73.02919	2.3
78.53332	1.0
81.03429	7.8
85.02908	16.3
87.00855	6.6
91.03964	1.8
91.05499	2.1
95.01335	3.3
95.04967	2.1
97.02886	7.6
99.04478	2.6
101.59249	1.1
105.01858	3.8
109.02931	5.4
110.03666	9.3
111.04457	1.7
114.10291	2.9
117.01878	1.1
123.04404	2.2
125.06005	31.0
127.03927	11.9
135.04475	1.3
139.03934	7.0
145.04938	4.6
151.04033	1.5
153.05476	53.5
154.06281	16.9
154.07518	2.1
157.04459	1.1
159.02899	3.9
163.03915	2.0
167.07056	4.2
170.05759	9.4
178.06200	2.1
181.04967	4.4
185.08109	100.0
194.05768	3.6
209.08060	5.7
221.07970	2.3
227.09195	2.7
236.06850	2.5
249.07434	1.7
251.09187	1.9
275.09183	1.6
293.10294	4.5
310.20117	1.3
403.14081	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03953	0.9
55.01876	2.8
62.34770	0.8
67.05487	3.2
68.99799	3.4
69.03434	82.6
69.77957	5.1
71.04993	1.2
77.03930	2.1
79.05490	2.2
81.03430	3.1
81.07070	1.7
83.04986	1.4
83.23757	0.8
84.08145	0.9
85.02905	3.2
91.05482	2.1
93.03419	1.4
93.07058	0.9
95.04969	5.0
95.08619	0.9
97.02905	1.4
97.06532	1.1
103.05513	1.3
105.03416	1.7
107.04967	4.8
109.02892	2.9
109.06559	1.0
111.04463	5.7
117.74235	0.7
119.04988	1.5
121.02878	1.9
121.06553	1.5
121.10131	1.0
123.04436	100.0
125.05957	2.0
127.03901	0.8
131.04910	1.3
133.02878	2.1
135.04427	19.7
137.02336	6.6
137.05972	2.9
139.03929	10.3
141.01874	1.5
145.02873	1.2
147.04449	5.0
149.02362	3.3
149.05963	1.1
151.03893	7.9
151.11211	0.8
153.01830	10.4
153.07065	0.9
159.04422	2.2
159.07979	0.9
161.02307	4.8
161.05997	3.5
163.03908	8.2
165.01840	38.9
166.02216	0.9
167.07213	1.0
167.08560	1.6
169.06477	0.8
171.04541	0.9
173.02448	4.3
173.05978	1.2
175.03929	3.7
177.01839	17.2
177.05511	3.5
179.03398	7.3
181.06523	1.8
183.02898	13.0
183.04341	1.3
185.05954	1.1
187.03947	3.9
189.01784	1.0
189.05424	1.9
191.03394	13.8
191.07108	1.1
193.04976	4.7
195.02901	5.9
195.08089	1.6
197.00812	1.3
199.07561	1.3
201.05464	1.8
203.03418	16.4
205.04886	1.1
207.02913	3.3
207.08257	1.2
209.05963	1.4
213.05557	2.3
215.03368	5.8
217.04959	4.7
219.02899	21.4
219.06320	5.2
219.10223	1.5
221.04431	3.7
223.07567	1.3
225.05351	1.4
227.07121	1.3
229.05061	2.1
231.06458	1.6
233.04405	0.9
241.04887	1.9
243.06511	1.8
245.04486	20.8
247.05968	4.6
251.07156	1.6
255.06615	8.2
257.04501	1.5
257.08093	1.4
259.06094	3.0
261.03964	2.4
263.05481	24.5
267.06601	1.7
269.04404	1.2
269.08105	4.3
271.06009	14.3
273.07599	0.9
277.08728	1.1
279.06519	2.1
281.06491	10.3
283.06085	8.1
285.07620	1.7
287.05539	5.7
295.06079	1.9
295.09497	1.1
297.07568	12.2
299.05435	9.3
299.08542	0.9
301.07248	1.8
305.06604	0.9
309.07465	1.5
311.05496	13.5
313.07144	2.1
315.05060	3.0
317.06516	10.3
323.09103	5.3
325.07065	22.8
329.06552	5.2
333.07803	1.1
337.07065	2.8
341.06467	1.5
341.10168	2.7
351.08621	8.6
353.06509	8.4
355.08218	1.5
369.09628	14.0
371.07599	19.9
377.82309	1.0
379.08203	7.4
387.10748	6.2
397.09174	19.0
415.10199	10.9
433.11121	4.0
433.16495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
55.01887	1.5
65.03957	1.5
67.05492	1.3
69.03448	1.1
69.39757	7.5
69.40173	1.8
70.06586	1.6
71.04997	1.3
71.44150	1.0
79.01865	2.3
79.05515	1.5
81.03403	1.2
85.02907	2.9
91.05493	1.7
93.07040	1.8
97.02901	1.8
98.20974	4.1
107.08578	1.8
109.02847	1.9
109.10200	1.0
115.72955	1.1
119.04940	3.9
121.02880	13.7
137.02380	1.3
139.03925	3.4
141.01808	1.9
145.02856	3.2
149.02406	1.5
153.01820	1.6
161.05988	1.7
163.03935	4.8
165.01848	13.6
167.03397	1.3
167.07089	2.5
181.04962	2.4
183.02899	3.2
187.03935	2.1
191.03404	2.0
211.07545	1.4
213.05490	2.5
217.05019	1.2
217.08984	1.1
217.12158	1.1
229.05042	2.3
235.21184	1.1
239.07265	1.4
255.06566	3.0
256.07358	4.0
259.95386	1.3
267.06543	6.9
270.05359	2.2
271.06039	10.3
281.08081	4.9
283.06033	100.0
284.06769	24.8
285.07449	3.1
295.06052	15.9
295.09348	2.5
297.07574	11.7
305.08041	2.0
307.06082	2.1
308.06860	2.4
309.07617	19.0
311.05542	3.4
313.07092	91.2
314.07254	1.7
321.07758	2.4
323.09143	18.5
325.07199	2.5
333.07462	2.5
337.07086	34.5
343.08340	3.7
349.07101	8.7
351.08688	4.1
359.14948	1.7
361.07025	6.9
367.08160	23.5
379.08124	16.5
391.30438	1.4
397.09201	27.5
415.10266	29.2
422.45886	1.3
433.11319	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05500	1.5
55.38288	0.5
60.76453	0.5
62.59757	0.5
63.14364	0.5
67.05508	3.2
69.03423	0.6
69.07069	2.9
71.16034	1.1
77.08064	0.5
79.05487	1.9
81.07047	1.5
83.04997	0.6
83.08620	1.4
83.59138	0.5
85.10159	0.5
93.07086	1.1
95.08621	7.4
95.91389	0.5
105.07027	1.2
107.04973	8.0
108.05730	0.7
109.10154	1.3
111.04475	0.7
121.06486	1.4
122.07294	14.7
123.08089	10.3
123.11732	0.6
124.08864	1.0
131.02603	0.5
135.08081	3.9
137.05983	1.9
138.06770	2.2
145.10216	0.7
149.09619	1.1
150.05547	1.3
150.06779	35.9
151.07556	100.0
152.08354	5.9
152.29536	0.5
163.07576	2.9
163.08783	0.6
163.11235	1.0
164.08345	2.1
173.09612	1.8
175.07541	2.7
176.08336	0.9
177.09146	2.7
189.09106	1.5
191.10696	24.0
205.12233	0.7
246.46837	0.6
414.34961	33.9
415.35281	1.8
432.36020	79.7
433.36362	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	433.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69821	13.2
52.56660	12.8
53.36751	12.7
70.13247	45.3
79.12850	12.8
87.30540	13.0
151.29716	13.0
169.03572	15.8
216.30595	13.7
257.00629	59.2
276.30228	17.1
404.40854	14.2
433.05371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19844	0.7
54.21247	0.7
55.05490	0.9
57.07074	0.7
67.05492	2.9
69.07056	2.8
70.68883	0.7
70.69231	1.4
73.61920	0.7
79.05495	2.7
79.26762	0.6
80.32433	0.7
81.07055	1.9
83.04974	0.7
83.08618	1.3
91.80299	0.7
93.07040	1.0
95.08607	6.7
95.58530	0.6
105.07037	1.3
107.04958	9.5
108.05721	0.9
109.10154	0.8
121.06509	1.1
122.07293	14.7
123.08062	8.3
135.08029	4.2
135.63998	0.6
137.06036	0.6
138.06744	1.7
145.10083	1.1
150.06769	40.5
151.07550	80.8
152.08327	4.6
163.07524	2.3
163.11237	0.9
164.08372	1.5
167.07040	1.4
173.09622	1.4
175.07545	1.9
176.08319	1.3
177.09128	2.7
180.63747	0.6
189.09108	1.5
191.10696	20.7
194.31824	0.6
205.12265	1.3
225.42270	0.7
414.34921	100.0
415.35226	6.3
432.35599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93309	0.8
55.01873	1.9
60.50177	0.9
66.11808	0.8
67.05497	1.8
70.06586	1.8
71.51032	1.1
71.51411	1.3
73.15759	0.9
73.25080	0.9
79.05477	2.1
81.03403	1.0
81.07078	4.8
85.02896	2.0
86.09715	1.5
91.05499	2.2
93.07028	1.7
94.06646	1.1
95.04967	1.6
95.06041	1.1
95.08603	1.7
97.02902	1.7
103.27634	0.8
109.02874	2.0
109.10139	2.3
113.02293	1.2
119.04942	3.8
119.08589	2.1
123.04433	19.0
133.10112	1.6
135.04422	1.8
139.03920	5.1
147.04436	13.0
149.06013	2.6
149.52466	1.0
151.03912	85.9
161.05940	1.5
163.03903	2.8
165.05486	7.5
175.14838	1.7
177.05505	5.9
177.09125	1.7
195.10165	1.3
199.92474	1.1
201.09071	1.2
219.10179	100.0
241.69815	1.0
269.77316	1.1
271.21234	1.3
275.73068	1.0
303.08643	3.2
371.14893	12.0
432.18884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
55.84177	1.5
57.86639	1.0
62.06085	1.3
67.05500	3.0
68.99792	1.5
69.03439	7.1
70.06615	1.2
71.04988	1.2
71.71252	1.3
79.05488	2.9
81.03418	2.7
81.07063	6.6
85.02918	2.1
86.09743	1.2
91.05482	3.9
93.07029	3.0
95.04955	2.0
95.08622	2.2
96.04492	3.1
97.02895	2.2
98.20779	2.1
99.04520	1.4
103.05383	1.4
106.02937	2.4
107.04990	2.4
109.02894	4.7
109.10191	1.9
119.04963	8.3
121.06526	1.7
121.10117	1.3
123.03564	2.7
123.04433	25.1
124.03960	12.1
127.03913	2.5
135.04417	1.5
137.05984	1.5
139.03900	2.7
147.04419	29.1
149.05988	1.5
149.35013	1.1
151.03914	88.5
153.05434	1.5
163.03867	3.7
165.05493	8.7
177.05490	7.4
188.77058	1.2
201.09219	1.6
219.10175	100.0
220.10553	2.0
226.78719	1.2
229.39241	1.9
250.07224	2.9
268.08102	2.6
271.06003	1.6
303.08701	3.8
344.26810	2.2
361.98593	1.4
371.14871	9.7
432.22018	2.2
433.17136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.5
55.01861	5.8
55.05504	18.8
57.03436	25.5
57.07085	3.3
58.55711	3.7
61.02930	47.6
63.24479	2.9
65.03937	3.4
67.05508	80.8
69.03082	4.0
69.03434	37.0
69.07068	26.9
69.29753	6.7
69.30157	21.2
71.04986	6.0
73.02921	23.1
79.05495	42.4
80.18005	3.4
81.03419	24.8
81.07061	100.0
83.04970	14.2
83.08618	18.8
83.50227	2.8
85.02906	42.1
85.06532	5.8
87.04449	3.0
91.03957	26.0
91.05487	20.4
93.06477	5.8
93.07050	74.5
95.04982	8.5
95.08616	29.2
96.04507	4.0
97.02899	50.6
97.06502	15.9
99.04464	10.4
99.08099	7.5
101.02386	9.7
102.25981	2.8
103.03950	5.1
104.95936	3.5
105.07065	14.7
107.08599	37.7
109.02890	17.5
109.06572	4.8
109.10174	10.7
111.04463	4.6
111.08063	9.4
115.03907	4.8
117.05473	3.2
117.07037	11.2
119.08627	4.8
121.10151	27.4
123.11747	4.0
127.03928	19.8
129.05492	6.0
129.06953	2.8
131.08574	20.3
133.10165	15.2
135.08046	5.2
135.11694	17.5
139.03891	3.4
139.11246	4.6
142.04996	11.3
145.04973	7.1
145.10106	5.9
147.11685	5.0
149.13266	65.8
157.10080	3.9
159.11732	28.8
177.12720	15.0
195.13797	40.5
258.20093	3.0
269.17480	84.6
272.20160	19.0
290.21155	15.0
297.16879	4.7
311.18344	4.5
316.22693	3.0
431.25275	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	431.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.7
57.03430	0.8
58.99869	1.6
59.90282	0.6
63.88590	0.7
65.03960	0.6
69.52334	4.2
70.06599	1.1
71.04990	0.7
71.67116	0.6
72.10241	0.6
74.00819	0.6
77.00902	2.5
81.03444	0.9
84.08155	1.2
85.02903	1.1
91.05428	1.2
98.20786	1.3
101.00872	1.4
105.02222	0.6
107.03467	1.9
109.44078	0.6
110.97450	0.6
113.00871	0.6
115.02422	1.6
117.03361	1.3
118.16320	0.6
119.01910	2.4
119.04964	1.4
121.57623	0.6
125.04507	1.9
127.03928	0.6
129.03979	4.8
131.01907	1.8
133.03511	1.2
136.06160	0.7
139.02417	2.3
143.01909	1.4
145.02689	0.9
145.03595	1.0
146.08063	0.8
147.04424	2.7
148.04788	0.8
149.03030	0.5
149.06004	0.6
152.07132	0.8
153.00381	0.7
153.03935	2.8
155.01947	0.7
155.05565	3.0
157.03522	1.6
159.04984	0.8
161.02940	2.2
163.02443	0.9
167.05551	0.8
169.03473	5.1
171.01465	1.4
171.05038	14.1
173.02933	0.9
173.06631	3.4
173.07813	0.6
175.11974	1.4
176.88821	0.5
177.00957	1.0
177.04115	0.7
177.05507	2.7
181.03511	6.1
185.02855	0.7
185.06718	0.7
187.04477	4.7
187.08064	0.6
189.02475	1.9
189.06126	10.3
197.02989	8.1
198.03299	0.5
199.04524	11.1
201.00867	0.7
203.07777	0.6
215.04039	20.1
217.05672	1.4
219.01935	1.4
225.02515	2.4
232.01779	0.6
235.04457	0.9
239.04066	1.1
243.03551	24.6
244.03648	1.2
253.05617	1.5
257.05164	2.0
261.04590	100.0
262.04877	3.2
263.04449	1.2
266.05179	0.8
269.04996	1.3
275.06131	2.5
279.05783	5.3
284.06104	1.0
285.04590	15.4
286.05017	0.8
287.06094	0.9
297.04593	1.9
299.06131	0.7
303.02148	1.3
303.05637	28.0
309.04477	0.9
311.02383	3.6
312.02298	0.7
313.04001	2.1
315.05630	14.0
325.04150	0.9
327.05994	0.7
329.03558	6.7
331.05121	1.1
333.06619	8.1
337.03918	1.5
341.03519	1.2
343.05103	7.2
351.05444	0.7
353.08496	0.7
355.05099	2.3
359.04614	2.4
361.06161	9.1
364.79880	0.6
371.04361	2.8
371.54437	0.7
373.06042	0.9
383.04291	0.8
384.54077	0.8
389.05707	3.2
395.04083	0.8
401.05524	3.5
413.09589	0.7
417.05255	4.9
419.06760	2.2
431.06705	18.3
431.15674	0.9
439.02591	0.6
449.08011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	11.4
59.05002	2.0
65.03943	0.3
67.05527	0.3
68.05043	0.7
68.99779	0.6
69.03429	0.5
70.06598	8.7
71.06264	0.4
79.05519	0.6
81.03418	0.4
81.07045	0.5
84.04508	0.5
84.08155	0.3
85.02892	0.4
86.09708	0.6
91.05473	0.8
93.07058	0.5
94.06512	0.3
95.04979	0.4
96.04497	51.1
97.02888	0.6
103.05464	0.8
107.04959	0.9
114.05537	100.0
115.05854	0.3
117.09142	0.5
119.04945	1.0
120.08197	0.3
121.06514	1.2
122.06023	1.1
123.04433	7.9
123.05332	0.4
125.02368	0.3
131.08499	0.3
135.04440	0.8
136.07567	0.4
137.06003	0.4
147.04408	4.9
149.06012	2.5
151.03886	0.4
152.23993	0.3
159.04396	0.5
161.05998	0.6
162.05554	0.4
165.05492	2.9
175.07539	0.6
177.05482	36.9
178.05852	0.6
189.05397	0.3
207.06618	0.7
216.10199	0.9
234.11327	0.5
242.08102	0.6
251.18604	1.0
260.09097	1.3
278.10306	0.9
329.10217	14.4
330.10709	0.5
391.16061	0.3
408.87997	0.3
412.13913	3.9
430.15021	11.0
430.20596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	11.4
59.05002	2.0
65.03943	0.3
67.05527	0.3
68.05043	0.7
68.99779	0.6
69.03429	0.5
70.06598	8.7
71.06264	0.4
79.05519	0.6
81.03418	0.4
81.07045	0.5
84.04508	0.5
84.08155	0.3
85.02892	0.4
86.09708	0.6
91.05473	0.8
93.07058	0.5
94.06512	0.3
95.04979	0.4
96.04497	51.1
97.02888	0.6
103.05464	0.8
107.04959	0.9
114.05537	100.0
115.05854	0.3
117.09142	0.5
119.04945	1.0
120.08197	0.3
121.06514	1.2
122.06023	1.1
123.04433	7.9
123.05332	0.4
125.02368	0.3
131.08499	0.3
135.04440	0.8
136.07567	0.4
137.06003	0.4
147.04408	4.9
149.06012	2.5
151.03886	0.4
152.23993	0.3
159.04396	0.5
161.05998	0.6
162.05554	0.4
165.05492	2.9
175.07539	0.6
177.05482	36.9
178.05852	0.6
189.05397	0.3
207.06618	0.7
216.10199	0.9
234.11327	0.5
242.08102	0.6
251.18604	1.0
260.09097	1.3
278.10306	0.9
329.10217	14.4
330.10709	0.5
391.16061	0.3
408.87997	0.3
412.13913	3.9
430.15021	11.0
430.20596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.46722	0.6
53.59821	0.6
55.05512	3.3
57.07078	15.7
67.05509	4.9
69.07069	4.8
71.08640	11.1
72.78015	0.6
79.05479	2.6
79.05921	0.6
81.07058	8.8
83.08618	3.8
85.10185	4.1
91.05478	2.8
93.07027	2.2
93.74528	0.7
95.08601	6.5
97.10160	2.0
98.20721	1.4
105.07036	1.9
107.08579	4.6
109.10153	6.7
111.04436	1.2
111.11706	1.0
113.00014	1.2
117.06953	1.5
119.08618	4.2
121.06508	1.9
121.10175	3.3
122.07282	1.5
123.08051	1.1
123.11720	1.7
131.08583	2.1
133.10106	1.6
135.08054	4.6
135.11682	1.5
137.05981	1.0
137.09625	10.0
139.07552	1.5
143.03246	0.7
143.08479	1.0
145.10118	2.0
146.81070	0.7
147.11633	0.8
149.09627	11.5
151.07603	1.0
159.11705	2.3
161.09570	1.0
163.07518	1.3
163.11208	13.8
164.08282	1.4
165.09122	100.0
166.09457	3.0
169.02643	0.8
170.06284	0.7
173.09622	1.9
173.13245	2.2
175.07652	0.9
175.11215	4.1
176.08305	1.9
177.09123	10.6
177.12747	2.1
178.09641	0.8
179.10675	1.6
187.11188	2.3
189.12796	1.1
190.09952	1.5
191.10674	8.6
201.12753	2.8
203.10753	1.2
203.14224	0.8
205.12263	12.5
209.45943	0.7
215.14438	1.3
219.13840	4.7
228.97783	0.9
233.15376	2.1
246.36824	0.8
247.16905	0.9
261.18414	1.2
274.81967	0.8
275.20001	1.5
289.21591	1.9
303.23334	1.5
319.14130	0.7
328.37219	0.7
331.26559	1.0
336.00421	0.8
384.91370	0.7
387.37192	0.8
401.34213	2.0
411.36288	1.9
429.21188	1.0
429.31839	2.1
429.37244	32.2
430.38013	0.7
432.94809	0.7
433.01074	0.7
448.74698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03935	0.7
55.05513	4.0
57.07080	20.1
65.49560	0.6
67.05510	4.9
69.07069	4.4
71.08290	0.9
71.08636	12.5
73.04738	2.4
79.05486	2.0
81.07063	8.3
83.04986	1.1
83.08606	2.5
85.10189	5.8
91.05470	2.6
93.07033	2.5
95.08612	7.7
97.09546	0.6
97.10164	2.0
105.07018	2.4
107.08580	6.1
109.10167	8.1
111.04397	1.1
111.11700	0.9
119.08608	4.6
121.06499	1.3
121.10135	5.1
122.07292	1.9
123.08087	0.8
123.11761	1.1
123.80351	0.7
131.08543	2.1
133.10089	1.6
134.07288	0.7
135.08061	6.2
135.11676	2.9
137.06007	1.0
137.09625	11.9
139.07549	2.0
140.48985	0.8
145.10126	2.6
147.11749	0.8
149.09630	15.9
149.13235	0.8
151.07564	1.9
159.08063	0.9
159.11713	2.5
160.08861	1.1
161.09581	1.0
162.06723	1.2
163.07571	1.1
163.11179	21.8
165.09120	100.0
166.09402	1.5
167.05560	1.0
172.78537	0.7
173.09602	2.4
173.13243	1.7
173.32063	0.6
174.10466	0.9
175.07639	0.8
175.11209	5.3
176.08315	1.7
177.09129	12.2
177.12776	1.8
179.10689	1.8
186.10414	0.9
187.11310	3.0
187.14720	1.0
188.12022	0.7
189.09106	1.2
189.12753	1.7
190.09926	1.5
191.10695	11.6
201.12782	2.6
203.10709	3.2
203.14317	1.4
205.12218	12.0
215.14322	2.7
219.13812	4.6
233.15385	2.9
246.13101	0.7
247.17049	1.0
261.18561	1.0
262.19235	0.6
275.20108	1.7
289.21515	1.4
303.23178	1.6
317.25095	0.7
331.26154	1.6
346.13052	0.6
359.02954	1.7
359.29254	0.9
360.02679	0.8
373.30969	1.3
401.33920	3.0
411.36194	2.2
416.88980	0.6
429.37292	36.3
430.37747	2.3
441.54111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69917	1.5
53.03935	8.4
55.01862	5.6
55.05512	14.3
57.03442	14.7
58.17687	1.9
61.02925	3.9
67.05511	22.3
69.03436	36.2
69.07055	6.0
71.01360	2.0
71.04984	7.5
71.51978	3.0
72.08144	1.7
73.02917	4.4
73.04750	5.4
78.41788	1.9
79.05503	19.5
81.03423	84.4
81.07055	21.1
83.04989	17.8
83.08163	2.4
83.08629	23.9
84.35310	1.8
85.02913	26.6
85.06534	2.8
91.05450	20.8
93.07059	15.0
95.04984	26.2
95.08611	7.7
97.02296	2.9
97.02898	52.1
97.06554	3.5
97.10152	4.5
99.04461	6.8
99.08076	2.0
99.12676	1.9
103.03915	2.2
105.07043	16.0
107.04967	4.6
107.08601	9.9
109.02887	13.2
109.06525	6.3
109.10168	5.1
111.04455	12.3
111.08096	13.8
117.06982	2.3
119.04951	2.3
119.08574	16.8
121.06494	4.4
121.10159	8.7
123.04446	2.3
123.08113	2.0
123.11661	2.9
125.09629	3.2
127.03932	13.9
129.05461	5.8
129.07027	9.2
130.95374	2.0
131.08559	7.4
133.06476	3.5
133.10114	7.6
147.04497	2.5
147.08002	3.3
147.11687	14.0
149.02324	6.4
149.09613	6.8
151.07538	7.4
155.08507	2.1
157.10146	11.9
159.11729	2.1
165.12761	2.7
165.76532	1.8
175.11241	14.1
181.12267	4.6
191.10706	6.3
193.04993	6.3
193.12273	61.5
205.12314	2.2
211.13301	100.0
217.12154	2.2
227.12814	2.6
229.14421	3.4
235.13298	2.2
249.14864	10.9
265.14240	2.7
267.15894	4.3
277.14459	2.3
285.17004	15.1
307.32669	1.8
313.16571	2.7
319.15326	3.0
337.16415	3.1
355.17499	3.5
385.09024	2.4
411.19998	5.0
429.11731	6.4
429.21255	49.8
430.21320	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	9.4
55.01868	11.8
55.05513	15.3
57.03440	29.5
61.02930	25.5
61.75616	2.4
65.03933	2.9
67.05505	31.9
69.03431	24.5
69.07060	7.4
70.06577	2.8
71.01363	6.0
71.04996	5.7
71.51305	4.1
73.02917	16.1
73.04784	3.7
79.05504	35.3
81.03420	100.0
81.07054	31.0
83.04990	16.8
83.08617	25.0
83.43235	2.6
84.03239	2.5
84.42068	2.1
85.02904	39.8
88.03110	2.4
89.05333	2.9
91.03940	15.5
91.05460	32.6
93.07044	25.4
95.01319	3.1
95.04971	78.9
95.08593	13.4
97.02901	51.5
97.06527	6.3
97.10178	6.1
99.04433	6.7
101.02395	5.4
103.03926	10.0
103.05443	4.7
105.04467	2.8
105.07038	21.0
107.04962	22.2
107.08571	15.4
109.02867	18.5
109.06514	11.1
109.10153	5.0
111.04453	12.6
111.08088	10.0
117.07000	11.4
119.04974	5.2
119.08578	25.6
121.02829	3.0
121.06527	13.9
121.10143	12.2
123.04435	36.0
123.08034	3.2
123.11649	3.2
125.09647	3.4
127.03903	11.7
129.07007	15.6
131.04927	6.6
131.08583	14.7
133.06436	6.2
133.10130	9.1
135.08031	5.7
135.11681	8.1
137.05933	8.2
139.03911	5.2
142.07695	2.7
143.08611	6.7
145.06496	6.5
145.10167	13.6
147.04430	15.5
147.08055	8.4
147.11665	10.8
149.05978	4.2
149.09618	5.1
151.03831	2.9
152.05678	2.7
157.10120	11.4
161.05981	4.9
161.09621	2.8
163.11165	12.9
165.12810	3.0
167.07062	4.8
171.11690	3.1
173.09613	3.8
175.11177	11.7
177.12881	4.3
178.33437	2.7
189.05522	4.9
189.12741	8.9
193.12241	38.8
205.12129	2.7
207.13741	8.4
211.13281	42.0
217.12210	7.8
223.13286	3.8
231.13992	3.9
235.13307	55.2
249.14828	9.1
259.13293	11.4
267.15891	26.3
273.14890	16.5
276.12357	13.1
277.12268	19.2
283.13266	4.5
285.17020	5.8
289.14474	3.7
301.14392	17.5
309.17026	25.8
319.15314	9.2
351.18253	4.0
363.17764	4.3
367.24710	6.5
375.17810	14.4
383.24063	4.9
393.18982	8.0
411.19464	6.1
411.23648	10.1
419.48175	3.2
429.20782	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25314	0.4
63.73628	0.5
69.62669	3.2
70.06592	1.5
71.36168	0.5
73.04745	1.1
85.02881	0.8
91.05778	0.7
136.03908	0.6
139.03891	0.7
147.04480	0.8
150.61317	0.6
163.03925	0.7
177.05461	1.2
291.14429	0.6
311.50269	0.6
359.02850	0.8
429.20999	100.0
430.21423	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76558	1.5
53.03944	10.3
55.01866	3.5
55.02705	1.2
55.05315	1.2
55.05517	14.6
57.03442	18.5
57.07075	1.8
61.02909	1.6
67.05515	12.9
69.03088	2.5
69.03436	31.0
69.07069	4.3
70.37245	1.3
71.04996	8.5
71.51869	1.6
72.63473	1.1
73.02909	3.9
79.05496	13.9
81.03427	78.5
81.07068	17.3
83.04995	23.2
83.08625	19.6
85.02914	23.7
87.04453	1.4
88.07642	2.0
90.53268	1.5
91.03949	1.5
91.05465	15.6
93.07061	13.8
95.04988	17.9
95.08622	7.8
97.02297	2.8
97.02905	49.2
97.06519	1.7
97.10165	3.5
99.04469	8.7
105.07037	12.6
107.04960	4.3
107.08632	6.6
109.02887	13.7
109.06540	4.4
109.10181	2.8
111.04472	8.5
111.08106	9.5
113.06069	2.0
117.07058	1.5
119.04942	1.2
119.08591	12.7
121.10168	7.2
123.11716	1.7
125.09589	2.2
127.03924	12.0
129.05481	4.1
129.06993	7.5
131.08586	8.0
133.06631	1.3
133.10123	6.2
135.11719	2.7
137.92281	1.2
139.04202	3.9
142.07794	2.0
145.05101	1.6
145.10138	2.8
147.08101	3.4
147.11717	13.2
149.02374	1.8
149.09630	3.5
157.10155	12.5
161.83047	1.4
163.11203	3.2
165.09106	1.4
165.12756	3.7
175.11182	13.0
175.12434	1.6
181.04988	1.4
181.12218	2.4
191.10735	2.7
193.12270	55.2
193.98744	1.4
194.12534	2.4
200.20123	3.1
211.13315	100.0
212.13760	1.6
227.12848	3.5
229.14433	3.8
247.13484	1.5
249.14894	5.1
256.23309	1.5
265.14294	1.4
267.16125	1.8
285.17010	5.8
287.42691	1.3
301.14728	1.4
337.16757	1.7
355.17529	6.7
428.41025	2.1
429.21283	49.1
429.31894	15.8
429.41397	4.9
430.21725	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35630	0.4
56.05026	0.6
57.03426	0.7
67.05500	0.6
70.06553	0.5
71.51369	0.7
72.04507	1.2
73.56830	0.4
79.05487	0.8
80.05045	0.5
81.03442	0.8
81.07067	0.8
83.08571	0.4
85.02893	1.1
85.04948	0.4
89.06020	0.8
91.05483	1.6
93.06998	0.4
94.06551	0.4
95.04953	1.5
97.02888	0.9
100.07628	0.7
105.03413	0.7
105.07024	1.1
106.50527	0.4
107.04906	0.5
107.07084	0.5
108.08103	1.9
109.02892	0.6
119.04984	2.1
119.08560	0.7
120.10957	0.4
121.06511	0.9
123.03588	0.7
123.04436	11.1
124.07639	0.6
126.09171	4.1
127.03905	0.5
130.99890	0.4
131.08549	0.6
133.95404	0.4
134.09673	0.6
137.05942	0.6
138.09154	3.0
139.03964	0.6
141.06998	0.8
141.53275	0.4
147.04433	4.9
150.09123	1.2
151.03915	7.5
152.10664	0.7
160.11176	0.6
161.05969	1.0
162.09129	0.6
163.03879	0.5
163.07501	0.7
163.13278	1.5
165.05460	1.3
166.12350	0.7
174.09198	0.4
175.06255	0.6
177.05478	1.7
178.12256	0.7
180.10159	0.6
187.07506	0.7
188.07076	1.1
188.10782	1.2
189.05472	3.7
191.07024	0.7
192.03737	0.5
205.08578	4.0
206.08081	0.6
206.11847	0.8
211.13190	0.8
215.07037	1.9
216.06638	1.4
216.10167	3.5
229.07292	0.7
230.08130	1.1
230.11682	1.2
231.08920	0.9
232.09538	0.7
233.08081	4.1
234.11235	4.5
240.10312	0.8
248.09184	1.2
248.12926	1.0
258.04675	0.4
258.11227	3.0
260.09201	0.4
267.15933	0.6
276.12320	100.0
277.12479	2.2
288.12308	4.4
296.60855	0.5
410.09445	0.7
410.15833	1.0
428.17093	7.2
429.21191	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	428.3161
Annotation	Hupehenisine
Peak:m/z	Relative Intensity
51.02377	0.6
51.35843	0.4
51.99048	0.4
53.03946	2.3
55.01880	0.4
55.05507	1.1
55.84634	0.4
65.03938	0.5
67.05489	1.3
69.01720	0.4
69.07053	1.4
69.70254	2.4
72.76452	0.4
77.31562	0.4
79.05486	1.4
79.35591	0.4
81.07044	2.2
83.08628	0.4
84.08111	0.6
91.05483	7.3
93.07043	11.9
95.04966	1.5
95.08602	1.9
98.09626	0.4
98.21465	0.4
103.05476	6.8
105.04517	1.0
105.07032	1.4
109.10172	0.6
119.08595	2.1
121.06509	55.5
121.10133	1.1
122.06792	0.6
133.10106	1.6
135.08018	0.6
135.11688	0.7
141.04669	0.5
147.11662	0.9
149.13269	0.9
150.09164	1.2
158.90231	0.4
161.13284	1.6
162.12755	2.5
163.14803	0.6
164.14331	1.1
165.09105	0.4
175.14857	0.9
178.15942	1.2
189.16257	0.5
205.19527	0.8
217.19487	0.6
218.15454	0.5
222.77286	0.4
267.16107	0.4
271.38437	0.4
282.18463	2.6
284.20227	1.1
298.21664	2.6
306.79636	0.4
308.25845	5.4
326.20828	0.4
358.23752	0.7
405.16229	0.5
428.31635	100.0
429.32037	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	427.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.05516	47.0
57.03195	1.5
57.03441	17.7
57.07080	52.3
59.76112	1.5
67.05509	19.9
69.07073	70.4
71.04987	2.8
71.08636	31.8
71.51830	1.2
73.06548	1.7
75.04491	1.6
79.05479	8.3
81.07064	29.8
83.08157	2.5
83.08627	44.2
85.06543	2.0
85.10183	17.6
88.06161	1.3
91.05482	2.6
93.07059	9.4
95.08607	26.4
97.06528	9.5
97.10174	29.3
105.07030	1.5
107.08592	9.4
109.10171	13.2
111.08083	6.4
111.11726	11.9
115.07583	2.9
121.10139	10.8
123.11703	6.2
125.09618	6.8
125.13265	2.1
129.09129	3.7
135.11688	9.8
137.13257	3.0
139.11185	6.2
143.08563	1.5
149.09569	1.3
149.13237	7.2
151.07468	1.9
153.12770	6.0
157.12230	1.6
158.95663	1.5
163.14873	6.3
165.09116	7.4
167.14316	4.7
177.16399	3.1
181.15909	3.8
185.15393	1.5
191.18002	3.2
195.17491	2.4
199.16985	1.7
205.19519	1.8
213.18404	1.3
223.20610	1.5
233.22725	2.1
251.23830	1.6
317.32062	7.5
335.33124	16.6
409.36673	15.1
427.37875	100.0
428.38034	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03937	4.4
55.05514	21.5
57.07066	10.3
63.89590	2.8
66.06818	2.2
67.05180	3.3
67.05504	36.1
69.06731	4.8
69.07072	52.9
71.17673	6.1
75.04798	2.7
79.05500	18.9
81.06589	5.3
81.07061	91.4
83.08620	22.4
85.06499	3.6
85.38156	2.5
91.05474	12.1
93.07065	36.2
95.08615	100.0
97.06528	3.8
97.10172	16.4
105.07024	11.9
107.08598	44.4
109.09470	4.7
109.10162	68.1
111.11701	20.8
112.99983	3.9
119.08586	20.3
121.10147	34.6
123.11723	40.6
133.10121	19.5
135.11694	30.5
137.09590	3.5
137.13261	19.5
139.11145	2.9
147.11679	12.1
149.13254	26.3
151.11189	2.9
159.11728	5.9
161.13254	11.2
163.14809	18.7
165.09135	30.7
167.14261	3.3
173.13286	5.3
175.14857	9.7
177.16380	15.2
179.18021	3.5
189.16394	9.4
191.18008	12.3
195.17441	3.8
203.17924	5.2
205.12244	5.0
205.19449	4.4
215.17973	2.7
217.19583	12.3
229.19473	4.3
231.21037	8.1
245.22635	4.3
409.38361	21.5
427.39441	49.8
428.36099	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14345	0.4
53.03942	0.8
55.05514	4.3
57.07066	1.9
67.05511	5.9
69.07076	6.9
69.69152	0.8
69.69563	2.3
70.17339	0.5
71.08623	1.2
79.05500	2.7
81.03411	0.8
81.07059	10.3
83.05001	0.8
83.08630	4.0
85.10181	0.5
91.05477	2.1
93.07049	2.2
94.84724	0.4
95.04952	0.8
95.08617	8.4
97.06556	0.7
97.10165	2.4
97.22963	0.5
101.06011	0.8
105.07028	1.9
107.04939	0.8
107.08587	1.9
109.10165	8.0
111.11723	1.4
112.96771	0.5
117.07010	0.6
119.08591	2.6
121.06504	1.0
121.10147	1.4
122.07299	0.9
123.04453	0.5
123.11742	2.5
125.06018	0.9
125.13271	1.0
131.08533	0.8
133.10149	0.9
135.08029	1.9
135.11684	1.0
137.06033	0.6
137.09633	9.2
137.13251	3.1
145.10138	1.2
147.11757	0.5
149.09627	5.7
149.13271	0.9
151.07536	1.6
151.11217	0.5
157.10172	0.5
159.11732	0.6
161.09538	0.6
163.07564	1.3
163.11229	1.4
165.09123	100.0
166.09430	1.5
168.06596	0.5
173.09586	0.6
175.07527	2.2
175.11026	0.5
177.09093	3.3
177.12762	1.0
177.35664	0.5
179.10689	1.1
187.11208	1.1
189.09096	1.8
190.09891	1.8
191.10677	1.7
201.48851	0.5
203.10693	2.0
205.12259	19.2
206.12614	0.7
217.12209	0.7
219.13800	1.0
231.13921	0.6
244.13976	0.5
261.66241	0.5
427.26767	1.5
427.35794	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	427.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
57.07085	0.9
68.77951	0.3
69.07069	7.3
69.64904	0.3
73.06548	2.2
81.07080	0.4
83.04976	0.5
84.08153	0.7
86.09707	100.0
87.10046	0.7
98.20614	0.5
112.07613	0.7
118.08733	0.3
160.47578	0.3
166.15414	0.3
168.13806	1.4
185.52000	0.3
186.14893	73.7
187.15240	1.1
214.14384	25.9
215.14627	0.4
283.73019	0.3
287.89874	0.3
299.23282	0.6
314.19617	9.8
315.20135	0.3
326.20801	0.3
327.22726	0.6
373.55722	0.4
386.78204	0.3
399.28531	5.5
427.27914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01875	3.0
55.05516	36.7
57.03440	22.0
57.07079	43.6
65.58360	1.7
67.05506	38.5
69.03415	2.2
69.07072	48.9
69.61268	1.7
71.04975	3.0
71.08631	28.2
71.50871	3.1
79.05496	17.5
81.03419	2.0
81.07059	51.6
83.05009	3.9
83.08148	3.3
83.08619	37.7
85.06544	2.6
85.10188	12.8
85.52235	1.9
91.05453	3.5
93.07060	24.7
95.08611	54.7
97.06519	11.6
97.10176	31.2
101.06054	2.1
104.47777	2.1
107.08596	20.1
109.10155	22.9
111.08089	7.6
111.11742	7.9
112.55756	2.0
115.07567	3.8
119.08577	3.4
119.24779	1.9
120.85532	1.9
121.10146	23.8
123.11722	13.6
125.09637	8.0
125.13246	1.9
129.09094	2.9
133.10155	2.4
135.11714	18.0
137.13277	5.8
139.11212	7.1
143.05003	1.9
143.10605	2.3
149.13277	11.4
153.12767	6.5
157.10182	2.5
161.13258	2.2
163.14862	4.8
167.14293	4.3
168.34480	1.8
171.13802	1.9
171.89403	1.7
176.70486	2.3
177.16417	4.2
181.15862	2.8
191.18016	4.5
195.17572	3.4
205.19594	3.1
251.23619	2.5
266.71231	1.9
267.11334	1.8
289.28989	5.3
307.30038	8.9
317.28201	8.5
335.29422	24.5
353.30511	2.5
371.31552	38.8
409.33124	13.6
427.34299	100.0
428.34665	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	427.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03953	0.9
55.01873	3.7
65.03969	1.1
67.05506	1.5
68.99788	7.0
70.79651	1.8
71.86899	0.7
71.99265	0.8
79.05481	1.4
80.25238	0.7
81.03410	0.8
83.04998	1.0
83.73367	0.7
91.05490	3.2
93.03400	1.2
95.04977	1.8
98.39506	0.8
105.03402	1.8
105.07043	2.0
107.04963	2.8
109.02864	1.1
111.00808	5.6
111.04440	4.6
118.20636	0.8
119.04961	2.1
121.02878	3.1
121.44105	0.8
123.04437	58.6
124.04841	1.2
127.03919	3.2
128.28102	0.7
131.04926	1.3
135.04416	16.6
135.34424	0.8
137.02365	2.4
137.05981	2.1
139.03908	100.0
141.01868	1.3
141.06978	1.2
143.04926	1.1
143.08618	0.7
145.02811	1.3
145.06525	1.6
147.04433	8.1
149.02386	2.4
149.05995	2.1
150.07761	10.0
151.03902	6.5
153.07039	1.5
154.04993	1.4
157.06450	0.9
159.04417	1.9
161.05971	5.2
163.03911	29.9
165.01822	1.3
165.05484	5.3
165.06693	0.8
167.03412	15.1
167.04756	1.4
169.06581	1.0
173.05988	2.5
173.73192	0.7
175.03931	9.2
177.05533	5.6
179.03404	13.6
181.05034	0.9
181.06538	1.9
183.04411	1.0
185.06027	1.9
187.03903	5.0
189.05493	7.0
191.03400	34.1
193.04996	9.5
197.05942	1.8
198.54924	0.8
199.07561	1.1
201.05478	11.0
203.03395	22.3
203.07103	0.9
205.05017	4.9
207.06586	1.2
213.05521	4.0
215.03352	3.8
217.04927	4.1
219.06589	1.5
229.04968	18.1
230.05531	1.2
231.06575	1.3
233.04472	16.4
234.11374	0.8
237.05563	1.3
241.04880	3.7
245.04492	12.4
247.06026	18.9
251.05505	5.7
253.04977	1.0
255.06567	4.8
257.04456	29.7
258.05289	3.1
259.06042	12.3
269.04431	4.7
271.05951	7.8
273.07779	1.6
275.03101	0.6
275.05502	49.8
283.06012	16.6
287.05505	69.3
287.25876	0.9
288.05884	1.0
289.07080	2.8
295.11594	1.9
299.05527	4.7
301.07101	12.6
307.08536	1.1
317.02200	0.8
337.38306	0.8
367.08105	1.1
379.08032	1.4
391.07980	1.4
409.09207	35.4
410.09598	0.8
427.09665	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1027
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.68729	1.0
55.01870	3.4
66.53265	0.9
68.99782	4.7
69.39954	6.4
83.01322	1.2
91.05468	1.4
99.35588	0.9
103.05524	1.2
111.04445	1.7
115.05455	1.7
117.07027	1.6
119.04948	0.9
121.02865	2.3
123.04426	7.6
125.02338	2.0
128.06233	1.2
129.06998	1.6
131.04935	1.5
135.04417	4.5
137.02298	0.9
139.03906	39.2
140.04291	1.3
141.07076	2.3
143.04936	3.1
145.06522	2.3
146.05951	1.3
147.04454	4.0
151.03905	1.2
153.05510	3.7
154.05009	1.3
155.05008	1.3
157.06493	3.5
159.04414	2.0
161.04631	1.8
161.05994	37.3
163.03917	100.0
167.03409	1.1
169.06488	3.2
171.04410	3.4
173.06020	4.8
175.03886	4.1
175.07605	1.9
179.03491	2.3
183.04436	3.0
185.06021	7.2
187.03931	1.0
189.05539	4.2
194.97499	1.2
197.06010	7.6
201.05502	6.1
203.07079	3.0
205.05180	1.3
209.06055	1.4
211.04005	1.3
213.05464	7.8
215.07001	2.4
217.04922	1.1
223.06488	1.1
225.05508	5.9
229.04979	26.7
231.06529	5.5
234.96181	0.9
237.05643	2.4
241.04973	10.6
243.06564	9.3
246.99251	1.0
247.06052	26.0
248.06441	1.0
253.05049	3.0
255.06575	2.2
257.04565	1.5
259.06055	52.9
265.05139	1.2
271.06027	12.3
283.06061	2.5
289.07086	60.5
301.07126	2.7
345.00009	1.8
347.84143	1.0
391.08179	4.0
409.09192	21.5
427.09454	5.5
427.18915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49083	0.9
55.01861	3.7
57.01499	1.0
68.99783	3.9
71.01333	1.3
71.50826	1.4
90.91143	0.9
97.02917	1.2
98.97541	1.1
111.04440	2.8
115.03960	1.0
115.05439	3.0
117.07032	1.4
119.04950	1.0
121.02850	3.4
123.04464	8.6
125.02361	2.2
129.06966	2.8
135.04401	3.7
137.02371	1.8
139.03911	42.2
141.07011	1.9
143.04921	3.1
145.06476	2.8
147.04393	4.6
151.03888	1.5
153.05450	3.4
155.04889	2.5
157.06493	4.2
159.04428	2.1
161.04630	2.1
161.05994	42.8
163.03917	100.0
163.07564	2.2
164.04251	1.2
165.05440	1.2
167.03436	1.3
167.04939	1.3
169.06480	4.9
171.04427	2.8
173.05968	5.0
175.03903	3.1
175.07542	1.5
177.05466	2.1
179.03432	6.8
181.06494	1.6
183.04413	2.7
185.05978	9.2
187.03860	1.8
189.05437	4.4
191.03320	1.7
197.05968	8.4
201.05476	6.6
203.03308	1.0
203.07104	3.5
205.05132	2.9
211.03818	2.5
213.05447	9.9
215.06967	2.3
217.05023	2.5
225.05493	4.8
227.06859	1.0
229.02663	1.2
229.04976	25.2
231.06487	3.5
237.05533	2.0
241.04965	12.2
243.06593	10.9
247.06042	33.7
253.04926	2.1
255.06451	1.9
257.04413	2.2
259.06033	55.7
260.06311	1.1
265.07501	2.6
271.06006	11.7
283.05902	2.3
283.08640	1.9
287.05637	1.4
289.07077	63.8
290.07114	1.1
301.06985	4.3
307.08447	2.1
345.00189	2.4
391.08109	3.9
402.86914	1.1
409.09247	25.9
427.09424	5.0
427.19327	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	426.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.0
53.03953	0.8
68.99799	1.9
77.03947	0.6
89.03928	0.8
92.04999	3.3
95.04985	1.4
99.98354	0.5
101.32082	0.5
105.03384	2.1
107.04967	0.8
108.04475	1.6
108.21267	0.6
111.00829	4.3
112.28300	0.6
114.26773	0.6
117.03352	0.7
121.34270	0.5
123.04433	86.6
124.04721	0.7
135.04419	8.2
136.03940	9.3
139.03906	17.0
147.04424	11.2
151.03917	2.2
154.04996	100.0
155.05405	0.9
163.03894	2.4
163.07553	2.1
189.05444	1.8
227.06895	1.2
227.39120	0.6
245.04321	0.5
255.06508	1.1
268.24185	0.5
273.07581	58.7
274.07797	1.4
426.11783	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	426.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03940	0.6
55.01848	0.3
55.05500	0.4
67.05496	1.1
68.99796	1.4
69.68649	0.3
71.17744	0.6
76.29730	0.3
77.03925	0.4
80.04992	0.4
81.07078	0.3
82.06598	0.5
91.05489	0.6
95.01317	0.3
95.04990	0.3
96.04536	0.3
100.11266	0.3
100.96109	0.3
102.42384	0.3
105.03423	0.5
107.04952	0.4
108.04491	3.0
109.10119	0.3
110.06034	2.6
110.73242	0.3
111.00810	1.9
115.33476	0.3
123.04438	37.8
124.04769	0.5
126.05535	4.2
127.03941	0.5
135.04405	3.3
136.03947	10.1
139.02864	0.2
139.03902	4.8
147.04430	4.7
151.03909	1.8
154.05002	100.0
155.05281	0.9
161.06046	0.5
163.03926	0.9
163.07584	1.0
173.66040	0.3
189.05577	0.9
198.86279	0.3
201.05385	0.3
223.61298	0.3
229.14386	0.6
255.06619	0.4
273.07568	9.5
390.62686	0.3
426.11865	18.4
427.12082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.58087	2.2
53.03938	4.2
54.33393	2.6
55.05518	21.1
57.07073	10.9
65.03923	3.4
67.05508	37.8
69.07068	64.2
69.16988	8.0
69.17411	20.0
70.98346	2.1
71.08631	4.5
79.05492	21.9
81.07059	100.0
81.07534	5.6
83.04962	3.6
83.08625	22.9
85.03009	2.6
85.06528	3.8
86.09695	3.7
89.06036	2.5
91.05491	17.1
93.07046	56.0
94.07347	2.8
95.08608	99.9
97.06505	3.2
97.10172	9.5
98.21607	4.1
105.07040	32.5
107.08602	54.8
109.10159	73.9
111.11725	25.4
117.07071	4.4
119.08582	32.5
121.10143	47.7
123.08109	2.4
123.11713	30.5
125.09660	2.3
127.06303	2.6
131.08583	10.2
133.10132	25.9
135.11691	32.2
137.09593	2.7
137.13269	17.4
139.11194	3.1
143.08604	4.8
145.10104	17.1
147.11737	23.3
149.13255	32.6
151.11137	6.4
151.14804	3.4
153.82137	2.5
157.10136	4.8
159.11702	18.6
161.13246	19.0
163.14787	14.6
169.54019	2.5
171.11668	5.7
173.13315	16.1
175.14822	12.9
177.12743	2.5
177.16371	17.8
184.07335	5.7
185.13283	5.5
187.14842	12.2
189.16344	13.3
191.14333	3.3
191.17950	8.8
195.17438	9.9
199.14844	4.4
201.16397	8.6
203.17973	15.6
205.15868	4.0
213.16451	5.2
215.17976	9.7
217.19467	11.6
227.18028	2.8
229.19556	6.0
231.21176	6.7
233.19043	5.9
243.21095	5.0
255.21100	3.9
257.22565	2.9
259.24338	4.1
261.22113	2.6
269.22540	3.7
271.24179	7.2
283.24200	5.9
285.25500	3.0
297.25809	3.2
315.27005	2.8
325.28842	4.3
343.30042	3.0
351.30682	3.9
407.36792	17.0
425.32440	3.5
425.37845	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03936	5.4
55.05516	22.2
57.07074	14.2
65.03942	3.3
67.05196	2.5
67.05511	44.8
69.06728	4.3
69.07072	63.1
71.08637	4.7
73.08480	2.7
79.05493	27.0
81.07063	96.7
83.04969	2.8
83.08624	16.8
85.06552	3.9
89.06049	4.3
91.05485	15.3
93.07049	50.0
95.08611	100.0
96.47610	3.1
97.06544	2.8
97.10181	10.1
105.07030	35.1
107.08601	58.9
109.10168	70.5
110.07878	3.1
111.11724	24.6
116.71996	2.9
117.07015	4.3
118.44083	2.4
119.08573	36.3
121.10152	52.5
121.73616	2.5
123.08059	3.9
123.11712	33.0
125.09594	3.5
131.08607	13.3
133.10138	26.5
134.85829	2.5
135.11700	41.5
137.09575	4.3
137.13266	14.9
141.93407	2.5
143.08536	4.1
145.10118	15.1
147.11700	26.6
149.13258	30.2
151.11142	3.0
151.14836	4.3
157.10175	6.1
159.11723	14.7
161.13281	17.8
163.14842	16.0
171.11671	7.9
173.13242	11.8
175.14825	18.4
177.16437	15.3
184.07365	8.3
187.14813	8.3
189.16371	11.4
191.17943	9.8
193.15860	3.8
195.17456	8.7
199.14877	3.3
201.16357	9.9
203.17911	13.4
205.19601	3.0
213.16331	4.7
215.17882	13.9
217.19492	13.8
218.42992	2.5
227.18092	4.7
229.19444	3.8
231.21080	4.7
233.19011	6.8
239.14674	3.1
243.21106	4.1
247.20682	3.0
252.47899	3.0
255.21237	3.5
257.22748	4.1
259.24225	5.2
269.22589	5.3
271.24265	10.4
285.25742	4.1
311.27310	4.3
325.29010	3.0
343.29727	4.1
407.36737	23.9
425.33215	4.1
425.37885	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38594	2.6
55.05516	24.4
57.07066	8.6
65.03941	3.0
67.05508	46.1
69.06728	5.2
69.07070	67.1
71.08609	5.2
71.51878	3.3
79.05503	19.6
81.07065	100.0
83.04986	8.1
83.08628	20.9
86.09680	3.9
89.06041	7.1
91.05491	21.0
93.07050	59.3
95.04946	3.3
95.08611	93.2
97.06516	4.4
97.10179	9.1
105.07044	41.6
107.08607	60.0
109.06519	4.7
109.10159	83.2
111.08118	3.7
111.11778	6.5
117.07009	6.4
119.08590	39.9
119.09383	4.4
121.10143	44.2
123.08044	4.3
123.11716	43.1
129.07100	4.4
131.08577	14.1
133.10120	26.9
135.08083	3.4
135.11716	44.5
137.09659	3.6
137.13255	12.2
139.11201	3.8
143.08569	3.7
145.10124	20.3
147.11688	33.1
149.13254	33.0
151.11284	3.4
151.14664	2.8
157.10214	7.1
159.11717	17.0
161.13243	16.8
163.11267	3.4
163.14850	18.2
165.09116	8.7
167.07079	21.7
171.11646	7.4
173.13307	13.8
175.14845	15.2
177.16386	20.3
184.07339	9.3
185.13287	5.8
187.14832	10.3
189.16356	14.3
191.17929	9.4
201.16402	9.9
203.18005	13.5
205.19484	3.6
207.17476	3.4
213.16457	4.0
215.17889	7.2
217.19548	10.4
227.18068	4.2
229.19513	12.0
231.21143	8.8
239.14983	2.9
243.20856	3.5
259.24146	4.4
271.24258	5.1
283.24158	4.2
285.25708	5.2
287.27219	3.7
369.31537	4.0
407.36856	16.6
425.38086	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05521	18.7
55.96953	2.2
57.07071	11.4
59.05022	3.1
65.03921	2.7
65.35845	2.3
67.05510	34.3
69.07069	62.1
69.29308	4.7
69.29714	17.7
71.04985	5.5
71.08648	2.7
79.05500	22.5
81.06593	4.8
81.07062	86.5
83.08621	16.4
85.06555	3.3
89.06036	5.8
91.05473	13.1
93.07043	50.3
93.66917	2.7
95.08610	100.0
97.10149	5.6
99.08057	4.7
105.07038	35.0
107.08603	69.8
107.50030	2.3
109.06518	4.2
109.10167	65.7
111.08090	4.6
111.11732	6.6
115.53608	2.3
117.07024	3.9
119.08580	39.0
121.10147	58.0
123.11723	31.1
125.09611	4.5
127.11172	6.1
131.07735	2.5
131.08563	16.7
133.08647	3.2
133.10144	28.9
135.11690	40.0
137.13249	18.5
139.11160	5.6
145.10123	15.6
147.11700	32.7
149.13258	38.0
151.14795	4.5
157.10112	6.9
159.11702	20.5
161.13303	23.7
163.14821	17.9
165.09096	4.5
165.12645	3.0
171.11720	6.0
173.13278	14.4
175.14812	16.8
177.16406	19.7
185.13307	6.1
187.14810	15.4
189.16373	20.3
191.17955	11.3
195.17490	5.7
201.16380	7.8
203.10478	2.8
203.17950	18.4
213.16409	6.0
215.17917	8.7
217.19496	14.2
219.65306	2.5
227.17992	5.2
229.19583	12.8
231.21124	5.6
241.19498	4.0
247.20656	2.6
255.21248	3.7
257.22699	7.1
259.24197	4.6
264.84213	2.4
271.24405	5.8
283.24133	2.6
285.25717	3.3
357.31165	2.5
372.40100	2.4
407.36801	20.6
425.37888	66.0
426.38354	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.25806	2.3
55.05507	9.6
57.07071	4.6
59.61963	2.5
62.43303	2.8
63.30027	2.7
67.05501	19.0
69.07077	17.2
71.51511	2.1
79.05490	8.9
81.07059	43.5
81.52463	2.5
83.08598	7.4
89.06009	6.0
91.05464	7.0
93.07072	19.8
95.08614	57.1
97.10181	6.9
105.07046	14.9
107.08595	34.6
109.10165	47.2
111.11732	7.0
112.05003	2.5
119.08582	21.1
121.10159	31.9
123.11704	18.5
133.10146	16.8
135.11694	24.2
137.13269	17.1
145.10117	9.9
147.11726	12.6
149.13229	13.0
159.11723	9.0
161.13261	11.9
163.14864	11.1
173.13295	5.0
175.14836	8.0
177.16411	7.2
187.14861	4.5
189.16295	12.3
191.17982	20.6
201.16399	4.6
203.18005	11.1
205.19547	7.1
207.17476	3.2
215.18004	8.7
217.19484	5.0
229.19521	5.7
231.21077	4.8
243.21164	5.1
245.22733	7.4
247.20546	13.0
255.21329	3.1
257.22534	4.6
269.22607	4.3
271.24203	7.0
285.25778	2.9
407.36917	21.3
425.37796	100.0
426.38193	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.03753	3.9
53.67067	3.5
55.05522	18.9
57.07063	11.9
66.10027	3.1
67.05506	31.6
69.03008	3.0
69.07072	41.5
69.56416	17.8
71.04992	5.5
71.08624	3.0
72.41345	3.1
74.66833	4.1
79.05499	21.1
81.07062	69.7
83.08628	21.7
89.06017	4.1
91.05471	14.7
93.07045	60.7
95.08614	100.0
97.10163	6.4
105.07048	28.0
107.08599	68.7
109.06527	3.9
109.10167	74.0
111.08051	5.4
111.11677	5.8
119.08586	40.6
121.10157	75.8
121.11021	5.1
123.08041	5.1
123.11705	67.1
125.13270	3.4
131.08549	10.1
133.10132	38.8
135.11711	67.5
137.13249	22.7
139.11137	6.0
143.08479	5.3
145.10118	14.3
147.11681	25.1
149.12192	4.5
149.13269	44.0
150.08253	3.8
151.14816	5.2
153.12715	13.2
157.10123	4.2
159.11684	10.6
161.13298	27.0
163.14842	26.3
163.67471	3.6
165.12769	16.1
167.14275	4.7
171.11708	5.4
173.13292	17.0
175.14795	24.8
177.16403	20.8
187.14847	12.9
189.16368	12.5
191.17915	11.5
193.15820	7.8
195.17465	7.5
201.16373	10.2
203.17963	14.9
205.19624	6.3
213.16405	8.0
215.17943	10.4
217.19540	13.5
224.24161	3.5
227.17996	7.6
229.19545	23.2
231.21043	24.9
257.22650	14.4
259.24289	19.0
271.24200	15.4
283.24203	5.2
285.25873	5.7
288.66943	3.5
299.96301	3.5
332.96002	3.7
407.36899	21.4
425.21677	4.8
425.37741	81.4
426.37338	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12854	0.7
59.19736	0.7
60.20305	0.7
62.42609	0.7
69.88866	4.1
70.99860	0.8
71.43577	0.8
82.99823	4.2
86.99341	0.8
97.02900	1.3
98.21445	1.0
101.00886	21.6
109.02895	0.9
113.00894	5.5
118.84311	0.8
119.01937	16.3
127.02414	4.9
128.54320	0.7
131.01920	7.7
137.00847	1.2
139.02429	1.7
139.84460	0.8
141.42865	1.0
143.01912	43.5
144.02110	0.8
145.03500	7.5
147.01347	1.2
153.03987	0.8
155.01915	20.3
156.02446	0.8
157.03468	7.2
161.02977	37.2
167.01909	13.9
169.03526	4.2
171.04997	1.4
173.01593	1.6
173.02980	15.8
179.01930	7.6
185.02979	33.6
185.04616	1.7
186.03114	1.0
187.04562	3.3
191.04042	3.5
197.02989	12.2
203.04048	15.9
209.02962	1.1
215.04001	5.9
227.04004	8.9
233.05185	1.0
239.04002	0.9
244.47531	0.8
245.05098	100.0
246.05249	3.9
257.05139	5.7
263.06146	23.6
264.03235	0.8
264.06488	1.1
275.06128	13.0
293.07272	2.9
305.07245	7.3
317.07541	1.2
335.08353	3.4
365.09406	3.9
425.11188	1.8
433.39447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29762	0.5
69.62958	3.1
69.63376	1.4
70.49268	0.6
74.95019	0.7
82.99834	4.2
86.99351	0.8
94.99892	0.6
97.02901	1.9
101.00888	22.7
105.85463	0.7
109.02880	0.9
113.00871	4.8
115.02422	0.9
119.01936	17.3
126.27538	0.6
127.02453	3.8
131.01917	7.2
133.35049	0.6
133.97803	0.7
137.00827	1.1
139.02403	2.2
143.01907	43.0
144.02083	0.8
145.03477	7.8
153.03990	0.7
155.01898	16.9
157.03482	6.1
159.01639	0.7
161.02966	40.3
162.02934	0.7
167.01906	13.8
169.03529	4.1
171.05029	1.6
173.02965	15.6
173.04341	1.3
175.04539	1.4
179.01875	5.4
185.02962	32.6
186.03140	0.8
187.04565	3.0
191.03995	2.9
197.02963	14.4
203.04013	13.7
209.02956	0.9
215.04030	6.2
221.05063	1.1
224.36472	0.6
227.03984	8.9
233.05139	1.1
237.06856	0.8
239.04005	1.1
245.05087	100.0
246.05270	3.3
257.05081	5.7
263.06158	23.3
275.06155	13.0
293.07217	2.3
302.04358	0.7
305.07230	8.2
335.08170	1.8
365.09372	5.1
425.11313	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59122	2.3
53.03930	3.0
55.05494	7.9
55.93504	4.4
57.51274	2.6
65.03922	3.2
67.05486	2.5
69.03442	3.6
69.84241	14.7
79.05490	3.1
81.03387	4.5
81.07047	6.3
83.04964	7.9
83.08604	9.6
84.08112	3.6
85.02898	8.7
91.05476	8.4
92.04956	3.1
93.07044	10.9
95.04977	29.3
95.08627	4.7
97.02870	4.1
97.06516	3.0
99.04459	3.8
105.07012	3.7
107.08585	12.3
109.06518	3.8
109.10160	5.0
110.05299	5.0
110.06049	100.0
119.04940	10.8
119.08561	5.0
121.10130	33.3
132.99487	2.4
133.10123	8.3
135.11702	3.2
136.07591	3.5
136.97084	2.5
139.11180	17.4
145.02789	3.8
147.04414	6.4
149.13280	3.3
151.11198	9.0
153.01828	40.7
153.09137	7.5
163.14836	7.4
167.14337	13.4
175.03926	5.1
177.05431	5.7
178.05644	2.6
191.14362	15.5
207.06551	13.2
209.13506	4.3
209.15358	53.9
217.90384	2.8
218.97302	3.2
223.45290	2.5
234.38277	2.6
250.95621	2.7
297.06058	3.2
401.92215	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	425.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.52509	0.8
65.03937	3.1
69.07981	0.7
70.07257	3.4
77.03929	0.9
86.10320	0.8
89.03928	1.6
91.05487	39.0
100.77679	0.8
103.05470	1.4
105.03467	1.1
119.04951	48.0
123.04422	2.2
132.02077	2.8
134.64224	1.0
135.04398	0.9
137.06050	0.8
139.03883	1.8
145.02879	1.3
147.04419	39.6
149.02328	1.9
151.51862	0.9
154.04974	1.2
157.03951	5.8
163.03934	1.8
164.04715	2.0
175.03922	64.5
176.04417	0.8
177.05466	1.0
179.07033	3.8
205.05254	0.9
207.06538	100.0
208.06891	1.7
229.04846	0.8
245.04451	2.7
261.32257	0.8
263.13892	0.8
269.04730	0.9
273.07382	1.0
299.05750	0.9
379.07889	0.8
407.07657	4.2
425.08557	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53455	14.3
51.48945	17.4
55.93523	20.6
70.06590	46.2
71.51160	25.7
83.04969	21.0
85.02890	34.9
89.56949	14.2
91.05450	18.2
97.06516	25.5
101.24655	15.4
105.07048	25.2
107.08592	24.7
109.02885	17.6
109.10168	25.7
121.06471	86.5
133.10092	25.6
136.65393	13.6
142.04961	23.2
151.11212	23.7
155.01642	100.0
173.13252	21.3
181.03166	47.7
199.04262	46.7
209.15416	92.4
244.09668	36.7
245.04764	31.6
262.10791	72.0
263.56635	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01868	3.2
55.05514	18.3
57.03424	6.8
57.07063	4.9
59.04991	3.8
65.03929	3.1
67.05510	80.9
69.07076	19.7
71.04990	7.1
71.08627	2.9
71.51063	2.3
79.05493	22.2
80.13786	1.7
81.07062	57.6
83.04977	4.2
83.08643	11.9
85.06557	3.8
91.05475	14.6
93.07050	30.7
95.04969	3.4
95.08607	21.4
97.06527	6.2
97.10181	2.5
99.08100	3.4
105.07017	11.3
107.08611	19.2
109.06528	13.8
109.10164	48.2
111.08083	6.3
117.07046	5.9
119.08576	11.2
121.09327	2.0
121.10126	11.1
123.08075	50.0
123.11737	4.0
125.09636	2.3
131.08582	6.8
133.10123	10.5
135.08080	11.5
135.11688	6.9
137.09612	5.2
144.30986	1.6
145.10135	4.5
147.11707	5.5
149.09622	2.3
149.13245	13.8
155.10675	4.0
159.11705	9.0
161.13283	2.8
165.12642	1.8
169.10144	2.3
173.11797	12.3
173.13116	2.5
175.03943	3.1
177.12813	3.4
179.14316	34.5
191.14444	2.0
193.15919	2.6
195.13837	5.0
205.15883	2.1
275.20035	4.5
293.21170	3.6
303.26855	3.6
331.22440	2.0
331.26355	39.6
349.27368	10.4
367.24933	1.9
370.67606	1.9
405.30115	2.0
423.31635	100.0
424.31689	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.7
53.03945	2.0
55.01875	1.2
55.05515	13.3
57.03449	3.2
57.07082	1.4
59.05004	2.7
65.03935	3.0
67.05510	100.0
69.07073	10.0
69.34040	3.0
69.34464	2.3
71.05000	4.6
73.02941	0.7
77.03928	0.8
79.05499	18.5
81.03434	0.9
81.07065	43.9
83.04991	2.0
83.08631	11.2
85.06570	2.8
91.05492	16.5
93.07050	24.5
95.04984	2.9
95.08617	12.1
97.06551	4.2
97.10186	1.5
99.08093	1.7
105.07037	4.0
107.08599	14.7
109.06520	1.3
109.10163	55.1
109.25989	0.6
111.08084	4.6
117.07027	3.3
119.08578	5.4
119.76513	0.7
121.06523	1.3
121.10157	7.2
123.11739	1.1
129.79768	0.7
131.08560	3.3
133.10123	7.3
134.77263	0.7
135.08086	1.2
135.11707	4.6
137.09628	2.3
149.13278	13.4
151.11263	0.9
155.10660	6.2
159.11707	5.4
173.11739	17.0
173.13182	1.0
177.12798	2.8
195.13817	8.0
213.14958	1.3
222.67592	0.7
287.73380	0.7
423.27469	47.2
424.27808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.9
53.03946	2.0
55.01872	1.9
55.05516	13.1
57.03438	5.8
57.06810	1.5
57.07073	8.1
59.04999	1.8
65.03931	1.9
67.05511	72.5
69.07075	14.1
71.04995	4.5
71.08636	4.6
74.91296	0.8
79.05497	20.0
81.07063	50.2
83.04991	2.5
83.08631	10.6
85.06544	5.2
86.81113	0.9
88.13438	0.9
91.05486	17.4
93.06476	1.9
93.07050	26.2
95.04991	3.2
95.08614	21.5
97.06561	5.3
97.10175	2.5
98.21616	1.7
99.08099	3.7
105.07041	10.4
105.14344	0.8
107.08601	20.0
109.06530	21.7
109.10169	40.8
109.10939	2.1
111.08074	5.4
113.09693	1.2
117.07024	3.9
119.08578	8.3
121.06554	1.1
121.10152	11.2
122.07285	1.5
123.08078	43.2
123.11713	3.9
124.08381	1.3
125.09610	1.1
126.01683	0.9
131.08557	4.8
133.10150	7.6
135.08066	10.0
135.11690	4.2
137.09645	4.9
142.07848	1.1
143.08592	1.6
145.10201	2.3
147.11716	4.9
149.09634	2.9
149.13280	11.1
150.13602	1.0
151.11201	1.0
155.10706	3.1
159.11736	5.2
160.38892	0.8
161.09572	1.0
161.13307	1.2
165.12779	1.8
167.14343	1.8
171.11696	0.9
173.11761	9.5
173.13194	1.4
175.14781	0.9
177.12787	3.3
179.14325	87.0
180.01851	1.1
180.14673	2.6
193.15924	3.1
195.13814	4.9
205.15916	3.2
233.19066	2.2
275.20062	2.5
293.21085	1.8
303.26761	3.2
331.26346	39.8
332.26727	2.6
349.27362	10.6
367.24835	2.8
405.29959	2.8
423.31473	100.0
424.31665	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01872	1.2
55.05270	0.9
55.05513	10.3
55.72066	0.8
57.03423	2.8
57.07072	1.1
59.04987	3.1
65.03936	2.5
67.05509	100.0
68.05823	1.1
69.07070	10.4
69.23993	6.0
69.24401	1.3
69.92691	0.7
71.04987	2.3
72.83429	0.7
79.05071	1.4
79.05495	18.0
79.68965	0.7
81.03417	1.5
81.07063	46.8
83.04967	2.2
83.08215	0.9
83.08631	10.0
85.06548	4.0
91.05486	13.6
93.06483	1.6
93.07050	22.4
95.04963	2.6
95.08611	11.3
97.06530	4.7
99.08093	1.5
105.07021	2.5
105.58791	0.8
107.08599	13.3
107.68246	0.8
109.06557	0.9
109.10166	58.1
110.10475	0.9
111.08096	4.9
117.07016	3.6
119.08562	5.4
121.10145	6.3
123.11721	1.2
131.08554	3.0
133.10112	5.2
135.11699	4.1
137.09604	2.4
147.11629	0.8
149.13261	12.7
151.11110	1.4
155.10652	7.2
159.11725	5.0
167.14374	0.9
173.11740	16.6
177.12756	2.8
195.13789	8.1
256.48218	0.8
345.48917	0.8
423.27435	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
53.41818	0.7
55.01867	1.5
55.05513	12.5
55.08039	0.7
57.03439	2.9
57.07075	2.2
59.05010	3.7
61.42167	0.6
65.03950	3.1
67.05508	100.0
68.05852	0.9
69.03444	0.8
69.07072	9.7
69.20863	7.4
71.04998	3.3
79.05499	17.4
79.58969	0.7
81.03422	2.1
81.07061	41.0
83.04994	2.9
83.08630	9.3
83.09074	1.1
84.93353	0.6
85.02914	0.7
85.06552	4.5
91.03977	0.7
91.05486	15.9
91.06023	1.3
93.07051	24.1
95.04983	2.1
95.08612	11.9
95.09170	1.0
97.06527	4.7
97.10194	0.9
99.08078	1.2
105.04546	0.8
105.07038	3.4
107.08611	14.1
109.06524	1.3
109.10163	54.7
111.08089	5.7
112.71148	0.8
117.07018	4.1
119.08594	5.5
121.06564	1.3
121.10155	5.7
123.11733	1.6
125.09668	0.8
128.41312	0.6
131.08575	3.7
133.10146	8.2
135.11670	4.4
137.09637	3.1
149.13275	14.2
155.10693	6.1
159.11726	6.0
173.11742	16.6
173.13190	1.2
177.12791	2.1
195.13794	10.6
207.03992	0.7
213.14989	1.0
236.56464	0.7
423.27444	48.3
424.27719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.202
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
53.03943	1.0
54.74560	0.5
57.31090	0.6
67.05499	0.7
69.07056	0.6
70.06593	1.8
71.02501	0.9
72.08145	1.6
78.04746	3.5
79.05495	4.7
81.03421	1.0
81.07027	1.0
91.05476	2.5
93.03392	0.5
93.07079	0.6
95.04992	1.3
97.07652	0.7
103.05457	4.3
105.07041	6.3
106.04179	2.4
107.04958	8.6
109.06515	1.0
112.08707	0.7
114.10298	5.7
115.05463	2.9
117.07026	1.8
118.04079	0.6
119.04961	0.6
121.06497	1.7
122.03631	0.6
123.04435	9.8
123.08081	0.8
124.05206	3.7
129.07036	1.3
131.04930	6.9
131.08572	1.2
133.06522	5.4
135.04422	0.5
135.08046	1.6
136.05162	0.7
137.05991	3.2
139.07564	0.5
141.07002	1.2
144.05756	1.3
145.06557	2.6
147.04425	2.0
147.08037	0.8
149.05991	0.7
151.03920	2.1
151.07553	2.6
152.04729	2.2
152.14282	0.8
153.05457	1.1
156.05644	0.6
157.06448	0.7
158.07278	1.4
159.08017	0.9
161.05995	5.4
163.07559	12.6
165.05461	1.0
167.07053	100.0
168.07510	2.8
169.08022	0.6
172.61948	0.5
173.05931	1.4
173.09634	0.9
175.07578	2.2
177.05428	1.0
177.09132	1.6
179.07051	1.8
181.08656	4.7
187.07545	1.7
193.08641	16.3
195.10233	0.9
201.09105	2.4
219.10155	2.5
221.11745	0.5
233.11745	3.1
237.11301	1.7
295.13327	0.7
304.11218	0.7
323.12836	2.2
355.15344	3.4
379.30618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85353	0.8
55.01875	4.0
57.03435	1.3
61.02944	1.0
71.20961	1.1
71.21290	1.4
81.03442	1.4
81.79791	1.0
84.04481	1.0
84.08146	1.0
85.02902	1.8
91.05482	1.0
97.06529	7.8
98.06870	3.3
103.03964	1.1
110.78867	0.9
116.01686	2.9
123.04427	5.7
124.03931	1.0
139.03932	1.2
145.02882	2.0
147.04434	3.0
151.03915	1.4
153.01833	3.6
161.06026	1.2
162.02235	2.9
163.03893	2.4
165.05540	1.2
172.07858	0.9
177.05476	2.8
190.09013	1.0
201.05444	1.0
211.03951	2.3
217.05070	1.5
219.02885	1.7
221.05966	1.2
225.05478	2.9
227.03362	1.2
229.05060	3.5
239.03391	2.4
243.02866	1.8
245.00984	1.3
245.04495	3.0
247.04207	2.8
249.05623	1.1
253.04945	2.4
257.04465	22.2
259.08133	1.3
260.03189	5.7
261.03876	4.6
263.02014	2.4
267.02835	1.1
269.04480	1.8
271.05984	6.7
273.03952	100.0
274.04529	6.0
277.05066	1.1
277.09326	1.7
281.04565	2.6
283.05936	1.0
285.03970	11.6
285.07220	2.0
294.12033	1.9
295.06027	4.1
297.03870	4.1
299.02203	1.8
299.05499	22.7
303.05005	54.2
304.05322	2.0
310.04788	1.1
311.05511	3.2
313.07059	7.5
323.05441	4.0
325.03616	1.5
327.04984	30.4
328.05365	1.1
339.05002	15.8
341.06708	1.3
348.12985	1.2
351.05017	11.1
357.05966	9.7
369.06064	15.7
387.07101	15.5
405.08264	5.6
423.09344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01869	2.8
57.61351	2.4
60.11493	2.3
60.74178	2.2
64.15047	2.1
67.05507	3.0
68.64950	2.2
69.03427	4.8
75.41540	2.5
75.80585	2.1
78.03445	5.2
78.04721	5.6
79.05481	8.1
80.34012	2.6
81.03442	5.2
85.02916	6.7
91.05482	11.6
93.07032	2.9
97.02886	5.0
103.05487	9.5
105.07063	8.4
106.02934	19.4
107.03248	8.4
107.04939	12.9
109.02884	3.4
117.07020	2.6
118.06566	2.8
119.04955	4.6
121.06494	4.6
123.04446	10.2
124.03974	30.4
124.05206	4.4
125.04366	11.8
127.03924	4.1
131.04936	7.6
131.96526	2.3
133.06474	5.5
137.06009	21.6
138.06358	5.5
145.06490	3.0
149.05951	4.0
151.07536	4.7
152.04686	3.1
161.05966	11.5
163.07544	18.4
167.07053	100.0
173.07172	13.2
177.09100	3.1
181.08618	6.5
189.09064	4.6
193.08643	13.5
201.09074	3.3
207.10248	3.7
219.10129	2.6
233.11830	2.8
243.11382	5.2
250.07190	6.9
251.07323	6.5
261.12411	3.3
268.08179	6.6
269.08490	11.5
295.13306	2.8
355.15466	4.1
405.13693	10.6
423.14569	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	422.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31474	2.3
55.01860	4.5
59.32113	2.0
59.51018	2.3
62.06083	3.8
70.56824	4.8
70.57195	5.4
72.20526	2.4
79.05474	6.8
91.05492	31.1
95.04975	3.3
103.05470	24.8
105.07038	11.5
107.04310	4.0
107.04961	54.4
115.05446	12.8
117.07012	5.9
119.04967	28.4
121.06487	6.4
121.10159	2.8
122.03649	5.6
123.04441	19.3
129.07005	5.7
130.01823	2.6
131.04933	14.7
131.08592	3.2
133.06483	11.5
135.04416	5.5
135.08049	14.0
137.05980	100.0
145.06494	4.4
147.04416	36.5
149.05983	9.5
150.06836	3.4
151.07545	32.5
157.06482	3.8
161.04634	4.5
161.05995	93.0
161.09660	20.0
162.06697	9.9
163.07558	82.0
165.07042	2.8
174.06746	2.8
175.03790	3.0
175.07555	10.3
177.09203	2.3
179.07063	17.1
181.07047	4.2
181.08578	37.3
184.34039	2.8
185.05928	2.6
189.09105	50.1
195.08153	3.7
201.05542	12.2
207.10184	93.7
211.09669	2.8
213.05507	7.2
219.10167	10.5
227.10719	5.2
228.06505	6.0
242.08119	5.2
249.08974	2.3
253.08492	3.4
255.10234	5.2
265.08664	2.9
267.10175	3.8
270.07617	55.3
272.09244	13.2
281.11685	4.7
285.11151	6.5
287.12805	22.0
297.11209	6.3
299.12778	5.4
311.12756	18.8
313.14343	25.3
331.15454	46.0
343.15433	6.3
394.12646	3.4
422.12259	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19773	1.9
55.01869	2.1
62.06083	4.3
65.03930	2.2
69.03429	3.2
69.92384	7.6
69.92799	3.9
78.03467	10.0
79.05485	8.5
81.03426	7.7
85.02889	2.8
91.05479	26.3
94.04196	3.2
97.02891	3.0
103.05482	22.2
105.07037	14.9
106.02919	32.5
107.04955	60.5
109.02862	5.6
115.05461	7.0
117.07022	2.2
119.04947	26.5
121.06519	9.8
122.03652	4.6
124.03958	38.6
124.04887	2.9
124.05206	2.0
127.03934	2.2
129.07019	2.6
130.04172	2.4
131.04926	15.7
133.06473	6.0
135.04454	2.9
135.08031	15.2
137.02364	19.8
137.05984	100.0
145.06506	2.5
145.07584	2.7
146.07246	3.1
147.04430	33.2
149.05986	9.7
150.06767	4.8
151.07552	38.2
154.05026	3.4
157.06424	2.5
159.04337	1.9
159.36505	1.9
161.05986	95.1
161.09601	18.1
162.06783	11.5
163.07549	85.5
174.06754	3.1
175.07573	8.4
177.09015	2.1
179.07042	13.7
181.08603	42.8
181.10197	2.6
189.09109	50.4
195.08110	4.0
207.10173	96.1
219.10240	8.4
223.07520	2.9
227.10808	4.8
250.07149	15.0
253.08727	2.9
253.12355	2.0
255.10283	5.8
265.08615	3.0
268.08267	18.8
270.07751	2.8
285.11191	7.3
287.12778	24.9
297.11224	3.3
299.12830	6.5
311.12759	19.4
313.14307	21.9
325.14429	2.2
331.15430	31.6
343.15442	8.5
404.09756	7.7
422.10757	6.3
424.10025	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	422.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.0
53.03936	2.5
54.46387	0.8
55.01870	1.2
57.03429	1.6
58.08776	0.7
67.05509	1.0
69.03431	10.0
69.17561	0.7
69.20999	4.6
69.21432	3.3
70.06577	2.4
71.04985	1.2
78.03031	1.2
78.03458	16.2
79.05498	1.4
80.05014	3.0
81.03423	14.6
81.07061	0.9
85.02904	6.6
91.05486	13.8
96.04493	7.7
96.46037	0.8
97.02896	4.4
99.04453	2.8
103.05445	0.9
105.07041	2.6
106.02922	57.8
107.04974	5.0
109.02893	9.7
115.05441	1.4
117.07036	1.1
119.04955	8.7
121.06480	1.5
122.03635	1.1
123.04410	1.8
124.03961	100.0
127.03945	7.0
129.06952	0.8
130.05035	0.9
131.04932	1.4
131.06830	0.8
133.06578	1.0
135.04411	1.0
135.08080	1.1
137.05981	39.1
139.03835	0.8
147.04384	3.3
148.57085	0.8
149.05960	0.9
151.07596	3.7
153.05458	1.7
161.05992	7.0
161.09601	2.3
163.07552	6.8
166.05052	1.0
167.07027	5.3
168.07811	3.2
179.06992	1.5
181.08595	2.7
186.91743	0.8
189.09143	4.1
193.08514	1.4
196.06081	1.1
207.10156	7.3
207.13741	0.9
208.06326	0.7
211.09683	1.5
219.10161	1.0
221.10036	0.9
225.14920	1.0
232.06099	2.1
250.07135	25.4
254.19557	0.7
265.12088	0.8
268.08173	38.8
270.07758	1.2
287.12817	1.5
299.13095	0.7
311.12646	1.8
312.06894	1.4
313.14160	1.6
330.08099	1.7
331.15436	2.5
343.08508	0.8
354.08051	1.2
378.23529	0.8
404.13449	23.6
422.14206	15.2
423.14651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.2
55.01877	7.7
55.05519	31.5
57.03438	13.1
65.03943	8.7
67.05509	100.0
69.03417	6.6
69.07078	28.7
69.92632	4.5
71.05004	7.1
79.05498	88.0
81.03439	6.8
81.07063	94.3
83.04988	7.8
83.08634	13.0
91.04992	3.4
91.05493	93.1
93.07048	69.1
95.04955	22.3
95.08615	75.8
97.06590	6.3
97.10178	14.8
105.07037	66.6
105.84398	4.7
107.04986	6.8
107.08601	50.4
109.10180	32.7
110.07444	4.7
111.08091	7.3
115.05454	5.4
117.07008	33.6
119.08599	37.3
121.06537	7.6
121.10165	53.8
125.09689	7.5
128.06226	6.8
129.07024	21.7
130.31619	4.6
131.08575	66.9
133.10161	31.6
135.08081	9.9
135.11673	22.6
137.09595	4.8
140.51141	4.7
143.08556	23.0
145.10121	38.7
147.08038	5.6
147.11696	18.6
149.09604	13.4
149.13257	8.2
155.08539	10.0
157.10165	24.0
159.11684	24.1
161.09579	8.6
161.13300	8.6
169.10138	8.3
171.11720	19.7
173.13271	14.8
173.57405	4.3
175.11269	7.7
175.14868	5.9
177.12700	4.8
181.10118	6.5
183.11716	8.7
185.13284	16.6
187.14873	11.6
189.12791	8.4
197.13319	10.8
199.14879	17.6
199.31886	4.8
201.16441	6.4
203.14420	6.1
206.17032	5.0
213.16481	5.1
223.14882	4.4
231.17422	7.4
245.19130	5.9
259.20673	6.6
266.90503	5.9
283.24619	4.7
293.22729	6.6
311.20459	6.0
311.23471	25.7
329.21173	8.5
329.24741	97.4
403.28683	60.5
404.28946	8.5
416.64880	6.1
421.29947	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03948	7.2
55.01880	11.6
55.05517	33.7
57.03442	13.6
63.09031	2.1
65.03917	2.7
67.05515	100.0
69.03429	7.9
69.07072	17.1
69.38467	17.4
71.04983	6.7
77.86244	2.2
79.05070	4.0
79.05499	46.2
81.03429	38.5
81.07066	48.1
83.04974	8.7
83.08645	24.2
85.02920	4.3
85.06501	2.4
85.45812	2.9
86.88004	2.5
91.05494	54.1
93.07059	38.3
95.04977	75.3
95.08619	31.8
95.36768	2.2
97.02852	2.7
97.06548	5.9
97.10179	10.2
98.20805	5.4
103.05476	2.9
105.07040	30.6
107.04962	27.7
107.08612	18.7
109.06524	6.9
109.10164	44.8
111.08095	5.5
115.05474	3.2
117.07037	18.1
119.04948	4.8
119.08595	27.4
119.77576	2.4
121.06510	26.7
121.10158	11.0
123.04424	3.7
123.08067	6.7
125.05918	2.5
125.09629	8.2
128.06230	5.3
129.06985	17.5
131.08577	20.9
133.06526	7.4
133.10135	15.1
135.08054	8.0
135.11739	4.7
137.09616	10.2
139.03900	3.6
139.11200	3.8
141.07025	5.5
142.07840	3.5
143.08589	10.4
145.06467	6.3
145.10164	16.3
147.08075	11.7
147.11699	9.5
149.09619	4.5
153.09100	2.4
155.08554	5.9
155.10693	5.7
157.06535	6.0
157.10115	15.4
159.11711	10.0
161.09630	9.3
163.11188	10.6
167.08607	4.1
169.10156	4.4
171.11716	4.8
173.09624	3.1
173.11826	11.4
175.11232	11.4
177.12762	5.8
181.10139	3.0
185.09612	5.1
185.13269	3.1
187.11215	4.5
189.09142	7.3
189.11240	6.7
193.12296	21.3
195.11760	3.4
199.11198	6.4
199.14896	3.1
201.12740	3.0
203.10703	12.9
203.12625	4.0
203.14449	3.5
205.12303	7.6
213.12767	5.1
215.14410	3.0
217.12358	3.7
219.13806	2.8
223.13274	5.5
229.51874	2.3
231.13815	4.8
237.14763	3.0
249.14919	7.4
283.20618	2.9
301.21585	9.0
305.17413	4.1
311.20053	16.2
328.06216	2.6
329.21133	95.7
330.21756	4.1
347.22195	12.5
375.25125	2.7
377.23013	3.4
385.23901	6.8
403.24820	56.0
421.25864	90.8
422.26157	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	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01866	1.2
55.05503	1.0
57.07052	0.9
57.85961	0.7
69.03407	0.9
69.07041	0.7
69.72015	4.1
70.06584	3.1
72.08138	1.4
79.05491	1.0
81.03417	0.9
81.07054	1.6
84.04479	0.8
84.08142	0.7
85.02894	1.4
85.06618	1.0
85.47069	0.7
88.08491	0.7
91.05479	2.5
93.07067	1.6
95.04985	1.5
95.08610	1.0
99.04450	1.0
103.05500	1.5
105.07045	2.0
107.04950	2.9
119.04974	2.8
119.08565	1.2
120.08064	0.8
121.06480	1.8
123.04449	7.8
123.08080	0.9
125.28824	0.7
126.12797	1.2
131.04924	2.8
135.04373	1.1
135.08080	1.4
135.09125	1.3
137.05983	6.6
139.03909	2.5
146.05984	0.9
147.04442	5.3
147.08047	1.3
148.05112	1.1
148.68822	0.8
149.05988	2.1
151.03947	1.3
151.07545	2.2
156.99922	0.7
157.06424	1.0
159.08003	0.8
161.06000	4.4
163.03835	1.5
163.07521	2.7
165.05588	0.8
167.07085	1.3
171.07932	2.9
172.05118	1.6
172.08719	6.4
173.09502	1.5
175.07539	2.6
176.07089	1.3
177.05450	1.2
179.07098	1.8
181.04895	1.8
181.08604	1.8
186.06723	1.1
186.10229	1.5
187.07445	10.8
188.08189	1.8
189.09073	1.8
193.08620	3.0
193.60072	0.9
199.07469	6.5
200.08200	1.3
207.10159	2.6
209.08064	1.5
210.08400	1.1
216.07915	5.2
216.10069	4.7
217.08374	1.0
243.08791	46.6
244.09576	100.0
245.10072	3.2
251.08122	2.0
257.10391	2.2
279.07724	1.6
280.11752	3.5
283.06985	0.9
297.08609	1.1
307.07242	1.9
311.06476	2.6
313.14096	1.0
314.56946	0.8
325.08200	2.8
329.07465	1.8
330.11075	0.9
331.15549	1.0
343.09259	1.4
345.13480	0.9
347.09140	1.4
353.07574	3.5
362.13681	1.7
371.08807	1.3
375.23795	1.6
378.15375	41.1
379.16144	40.3
379.21121	1.3
380.16501	0.9
400.75449	0.7
403.11472	3.4
421.09067	2.3
421.17090	11.5
421.23621	2.8
421.27945	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	420.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	15.1
59.04977	11.2
69.03426	87.7
69.40112	52.0
69.40540	14.0
70.06593	10.5
82.82994	7.0
85.02911	59.1
87.04472	54.6
91.05494	100.0
95.04960	9.6
97.02882	71.0
98.06036	12.2
105.06983	10.5
105.12022	6.9
107.04975	10.2
115.03938	81.3
119.04951	19.5
123.04390	12.0
133.04156	9.6
133.04987	98.6
137.05971	16.1
139.03938	13.7
142.24867	8.4
145.05005	10.6
147.04366	11.8
150.07584	12.7
151.07567	11.8
180.63914	8.0
183.06552	12.7
205.08508	11.0
217.08467	13.7
223.09689	10.5
259.11081	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	421.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59844	11.2
55.09862	10.6
64.74413	10.6
69.28783	100.0
82.99818	14.9
91.05483	15.3
101.00890	69.7
115.02467	18.2
117.03993	19.9
119.01933	54.6
119.04948	15.9
127.02425	30.7
131.01872	24.0
133.03458	26.7
141.03917	18.7
143.01866	38.0
145.03542	75.8
147.04396	43.3
148.30919	10.8
150.19852	11.2
157.03477	16.8
161.02977	29.8
169.03485	71.8
171.01395	21.5
175.00739	10.9
185.02887	18.5
187.01059	10.8
187.04549	64.1
189.02466	28.6
191.04066	13.1
193.03461	14.9
195.01448	19.5
199.04544	17.8
203.04036	22.1
211.04497	15.3
213.02452	48.5
215.00273	16.0
217.01923	20.9
221.03003	13.7
231.03539	16.9
242.11305	10.8
245.05281	12.4
275.02271	18.6
301.04013	18.4
301.61508	11.6
375.07553	19.4
421.04898	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	420.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59409	1.5
53.86815	1.4
55.01860	2.3
55.44933	1.6
60.31970	1.4
69.03442	2.9
69.73507	2.9
69.73910	9.0
70.06600	2.7
71.04996	1.8
85.02924	5.6
86.45394	1.4
91.05491	2.6
109.06555	1.6
117.07011	1.8
117.66632	1.7
119.04947	2.3
121.06520	1.8
123.04443	100.0
127.04060	1.6
131.08536	2.0
135.08170	1.8
137.06024	1.9
139.03917	9.7
140.04277	4.1
147.04445	5.0
148.05353	1.5
151.03856	3.3
163.03931	2.5
163.50385	1.6
165.05499	4.0
176.04727	19.8
176.14412	4.2
177.05447	1.7
189.05479	2.8
191.06985	2.1
198.42010	1.6
205.08705	3.9
215.06981	2.7
217.08701	4.1
218.15443	2.0
219.06540	2.3
233.08116	38.8
243.06593	3.6
245.08154	11.0
264.05798	4.4
269.90475	1.8
330.88040	1.8
367.11728	10.1
385.12875	13.0
403.13641	3.6
420.24191	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	419.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
57.03422	0.9
57.07086	0.7
59.04996	1.4
60.04989	0.4
61.02926	2.5
69.03421	1.6
69.07066	0.7
71.05001	3.3
71.41492	0.8
72.08158	0.9
79.05475	1.3
81.04544	51.2
81.07056	8.7
83.06073	1.3
85.02927	2.4
87.08102	0.8
89.98484	0.4
91.05506	0.6
95.06100	1.0
97.02871	1.1
99.08060	0.5
109.02908	0.5
111.05542	0.8
119.04995	0.8
121.07653	0.5
123.05523	1.4
127.05048	44.8
137.10735	4.3
139.03856	0.5
141.06596	0.8
147.04416	1.9
153.10172	0.6
163.12312	4.9
179.11819	5.8
183.34479	0.5
193.13286	0.6
207.11275	4.3
209.12984	0.6
211.14436	5.8
221.05136	0.5
224.91751	0.4
225.12355	11.7
239.13846	3.3
257.14972	100.0
258.15244	2.1
305.10922	0.6
321.16296	0.4
388.90613	0.5
419.14993	0.9
419.20129	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	419.3522
Annotation	17alpha,20alpha-Dihydroxycholesterol
Peak:m/z	Relative Intensity
53.74592	4.6
55.05508	30.2
56.87020	4.5
57.07077	51.3
59.50093	4.0
65.92383	4.9
67.05512	8.2
69.03438	8.0
69.07069	55.9
71.08621	33.4
74.05730	4.7
79.05500	8.2
81.07053	11.0
83.01330	20.9
83.08632	50.9
85.10176	17.5
86.49069	5.9
88.74005	5.1
95.08617	8.7
97.06565	5.7
97.10188	37.8
105.06988	7.0
107.90957	4.8
109.10143	7.1
111.11720	23.7
121.06505	5.8
125.05999	35.3
125.13293	10.3
135.04388	4.9
137.05960	14.6
141.05443	7.2
149.02361	5.4
152.04662	7.7
153.05478	100.0
163.07584	4.9
167.07108	5.9
171.22527	4.9
177.09082	8.3
191.10696	7.0
196.67628	4.6
230.52567	7.2
242.09273	5.5
401.34195	7.4
419.35217	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05507	2.6
57.03437	1.6
61.02923	2.1
65.03947	2.2
67.05497	3.9
68.99779	1.4
69.03434	2.4
69.07063	3.2
70.06587	3.1
71.04994	1.9
79.05485	4.3
79.14957	1.2
81.03429	1.8
81.07055	6.9
83.04967	2.8
83.08611	1.7
85.02898	5.2
85.06552	1.4
86.09757	1.0
91.05480	3.8
93.03399	1.1
93.07069	1.8
93.91714	1.3
95.04941	2.5
95.08611	2.9
97.02890	4.8
97.06498	1.3
99.04471	1.7
100.11204	1.2
103.05450	1.1
105.07021	4.7
107.04973	1.9
107.08593	2.3
109.10095	1.2
109.63547	1.2
111.04446	3.8
111.08116	1.6
119.08585	2.6
121.10122	1.8
123.04432	4.7
123.08057	1.6
127.03911	1.8
129.48553	0.9
130.04994	1.7
131.08566	3.0
133.06473	1.3
133.10089	1.9
137.06007	2.2
139.03915	100.0
143.08530	1.3
145.06497	1.5
145.10141	2.4
147.11705	3.0
149.02422	1.2
149.05978	2.1
151.03931	1.3
153.12836	1.3
159.08035	2.2
161.05984	5.3
163.03923	32.6
165.09117	1.6
165.12694	2.1
167.07123	5.2
173.06010	2.3
175.07542	2.0
177.05400	1.4
181.04959	1.7
181.06548	1.1
183.06619	1.7
187.07571	2.1
189.09135	2.7
191.06938	1.1
193.08528	1.6
195.07986	1.4
199.07623	1.0
201.09097	1.9
203.10646	1.2
205.08524	2.3
215.10680	1.2
217.08575	1.1
219.10298	1.6
225.09096	1.3
231.10205	1.9
239.08244	1.1
239.16521	2.0
243.10222	2.1
249.11229	4.7
257.12225	1.0
283.06100	1.4
295.06122	1.6
296.06955	1.1
297.07532	1.2
309.08624	1.3
324.35721	1.1
325.10721	3.9
351.12323	3.3
359.12360	2.5
369.13342	3.1
387.11832	2.3
389.16220	1.3
419.14291	1.6
419.27707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01873	4.8
55.05493	2.3
57.03444	1.6
58.39879	1.4
60.42565	1.4
65.03946	2.4
67.05507	5.0
68.99785	2.0
69.07076	3.8
69.75721	3.7
69.76134	4.6
70.06598	1.6
79.05497	13.5
81.03409	1.7
81.07075	8.2
85.02930	2.4
85.06600	1.5
91.05481	4.7
93.03425	2.1
93.07039	1.5
95.04992	4.7
95.08606	3.8
97.02900	2.0
97.06540	9.3
103.05468	1.4
105.07055	4.3
107.04969	3.9
107.08636	1.8
109.10152	2.5
111.04449	4.6
112.08929	2.1
115.05464	1.9
119.08578	3.7
121.06494	2.6
121.10110	1.6
123.04430	18.9
129.07028	2.2
131.04897	1.9
131.08559	2.7
133.06541	2.1
133.10133	3.0
135.04376	2.1
139.03917	100.0
145.06567	1.8
145.10138	1.8
147.04401	2.0
147.08080	3.1
149.06027	2.0
151.03911	3.3
153.05478	18.1
155.08702	1.4
157.10158	2.1
159.08070	2.7
161.05974	4.1
163.03897	10.9
167.03366	1.8
167.07068	6.4
173.06064	1.8
173.09645	3.2
175.07547	23.6
177.05464	3.8
181.04967	7.0
183.06497	2.4
185.09682	1.5
189.05475	1.8
189.09135	3.1
191.07074	3.2
201.09113	9.9
203.10713	1.5
205.08653	7.5
209.08081	3.1
213.09125	1.6
217.08630	7.3
219.10191	22.3
231.10199	2.1
233.11771	8.7
249.11224	2.0
263.12848	2.0
343.11850	3.4
369.13330	4.6
419.15356	2.5
423.37115	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2592
Annotation	Aspochalasin H
Peak:m/z	Relative Intensity
53.03943	1.0
55.01847	1.0
55.05506	2.3
67.05501	2.4
69.03423	5.6
69.07053	2.7
70.06572	1.2
79.05505	3.7
81.03426	1.9
81.07059	3.0
83.01322	1.1
83.42574	0.9
85.02910	1.9
87.38755	0.9
91.05486	2.1
93.07055	10.2
94.06649	0.9
95.04990	1.5
95.08603	3.4
96.04505	2.1
97.02895	35.8
97.06521	2.0
99.04478	1.1
100.11263	1.4
105.04550	0.8
105.07028	3.6
107.04946	1.8
107.07329	1.4
107.08627	4.4
108.08115	2.0
115.05469	0.9
117.07021	1.7
119.08587	3.2
120.08146	1.9
121.06548	1.4
121.10168	1.7
123.04415	1.8
125.02348	1.3
133.10100	1.8
134.09686	8.4
135.11667	5.0
139.03900	2.4
143.03409	4.4
145.06473	1.1
145.10147	2.2
146.09584	5.2
147.10435	2.5
148.11223	5.9
154.04994	1.4
161.13271	2.0
162.12793	71.4
163.13243	1.7
167.07051	12.5
168.07413	7.0
173.05946	1.5
176.14378	5.9
177.15079	1.8
178.15930	3.0
178.87544	0.8
181.04913	5.1
182.05304	3.5
188.14436	0.9
206.11806	2.1
219.10141	1.1
248.08942	1.0
249.09839	1.3
276.23260	5.4
290.13870	1.4
304.15442	72.7
305.15771	2.3
306.16968	2.2
320.18594	23.9
348.18143	1.8
372.25317	1.7
378.04544	1.0
388.14969	2.7
418.16003	3.9
418.25922	100.0
419.26334	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	418.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.14025	0.9
55.01875	1.1
56.46765	0.8
57.03420	1.1
69.03419	1.8
70.06605	6.5
71.05006	1.4
71.20759	2.0
73.56188	1.1
81.03426	2.4
84.08130	2.6
86.09694	1.1
90.59014	0.8
91.05475	2.3
93.03391	1.1
95.04971	2.4
96.08101	0.8
97.02904	1.5
105.03382	1.5
107.04947	1.9
111.04434	2.3
116.07105	7.0
117.03434	1.1
119.04915	5.4
119.08553	1.0
121.02912	1.1
123.04435	42.4
127.03911	1.4
135.04436	4.3
137.02318	1.3
137.05969	1.0
139.03912	15.2
145.02827	3.5
147.04433	22.6
151.03914	59.2
153.05453	3.1
159.04483	1.4
161.05971	4.1
163.03929	7.1
165.05510	8.9
169.06541	1.0
173.06001	5.2
175.03911	1.8
177.05498	5.3
178.05869	1.7
179.06989	1.5
181.04977	6.7
187.05908	1.0
187.07555	0.9
189.05525	1.9
193.04984	4.8
207.06586	4.5
209.20488	1.2
215.06987	1.5
217.08551	2.1
239.06998	1.2
242.03708	0.8
243.06442	1.6
267.15845	0.9
273.07520	1.1
273.10370	1.1
285.07574	2.2
303.08652	100.0
304.08838	2.3
408.72220	1.1
418.14642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
67.05511	1.3
68.99779	1.6
69.03421	3.0
70.06602	18.9
70.10020	3.9
71.01350	0.9
79.05507	1.7
81.03408	3.6
83.05000	1.1
83.08615	1.2
84.08136	2.0
85.02907	1.4
86.09719	0.9
87.69403	0.8
88.03970	0.8
91.05463	2.0
93.03394	1.2
95.04988	4.0
97.02896	1.4
104.68504	0.8
105.03385	2.1
107.04971	1.7
109.02872	1.7
111.04428	1.8
116.07104	28.1
119.04959	5.2
123.04440	51.2
127.03890	1.0
134.04492	1.5
135.04428	4.5
137.02347	1.5
137.06024	3.8
139.03908	18.1
147.04419	22.1
149.05997	1.0
151.03915	93.0
152.04271	1.5
153.05489	2.5
159.04343	0.8
161.05975	3.7
163.03932	8.7
165.05501	10.0
173.05972	3.3
175.03937	2.9
175.07484	1.0
177.05434	2.6
178.22159	0.8
179.07034	1.2
181.05002	6.5
187.07558	0.9
189.05504	2.0
193.05017	7.7
193.12271	1.3
203.03343	0.9
205.04924	2.0
207.06474	2.6
215.07068	1.5
215.61415	0.9
217.08598	2.0
231.06517	2.3
239.06830	1.0
243.06479	1.7
249.07573	1.3
254.14282	0.8
259.92599	0.8
267.15872	2.3
280.66425	0.8
285.07690	4.5
303.08667	100.0
304.08954	3.3
367.06909	0.9
383.10925	1.4
400.19110	0.9
418.09842	1.2
442.17480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00051	1.2
69.03419	2.1
69.56953	2.5
69.57362	6.3
70.06577	3.3
79.46071	1.0
81.07054	1.2
84.08150	1.3
85.02902	3.0
87.36649	1.0
98.65514	1.1
119.08650	1.0
121.02850	1.2
123.04446	2.9
129.05573	1.0
139.03911	2.1
140.04997	5.6
140.05943	1.0
147.04364	1.2
154.06480	1.8
155.06050	26.3
155.07291	2.1
157.07637	1.2
163.03824	1.6
163.91399	1.3
166.06628	1.6
167.06039	7.4
168.06857	3.4
169.07626	39.5
170.06039	5.1
176.14377	2.7
179.06033	12.2
181.05107	2.3
181.07632	4.3
182.06027	2.4
182.08313	1.6
183.05519	20.9
183.09155	2.7
185.07100	10.2
193.07639	15.7
193.09344	1.6
194.06075	2.8
195.05540	35.0
195.09160	1.3
196.06323	17.5
197.07103	28.2
198.05518	8.8
199.05086	1.4
201.06668	2.0
207.05571	8.3
208.06242	3.0
209.07133	4.3
210.07942	1.6
211.05052	4.7
211.08620	7.3
213.06598	26.4
221.07097	23.7
223.05086	2.7
225.06606	54.1
226.07043	2.1
227.08180	1.7
227.11784	3.9
228.12161	6.5
229.06090	21.1
236.08017	1.7
237.06636	6.3
238.07336	5.8
239.04581	5.3
239.08148	30.0
240.05357	1.5
241.06134	3.2
243.07706	7.6
249.06654	10.7
253.06128	11.1
255.07649	3.3
255.11281	5.1
256.11621	12.6
257.05499	5.4
257.09396	1.4
265.06158	3.4
267.07660	19.6
269.05725	5.1
271.07144	31.5
277.06110	11.8
283.07379	1.8
285.08722	37.5
295.07144	41.9
296.07568	2.0
312.09891	2.7
313.08194	54.2
331.09259	20.9
336.10049	1.2
340.09390	6.1
354.10709	5.2
358.10364	53.4
358.17627	3.6
359.10797	2.5
372.11948	5.5
382.10370	10.5
400.11426	60.6
401.11682	2.8
401.18628	1.8
418.12451	100.0
418.21460	3.1
419.12964	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	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
54.95429	2.6
55.01864	4.3
55.05508	7.8
57.03415	5.8
61.02924	5.8
65.03925	3.6
67.05505	10.0
67.78833	2.7
69.03427	10.8
69.07067	26.7
70.06583	11.8
70.72905	7.3
70.73230	3.3
71.04998	4.5
72.08136	4.2
75.34830	2.4
79.05483	16.5
80.40076	2.8
81.03405	11.3
81.07069	27.9
84.08144	7.0
85.02915	18.5
91.03955	5.1
91.05470	11.2
93.07045	14.3
95.04973	4.8
95.08611	23.2
97.02896	9.6
97.06531	12.8
97.10178	6.4
103.05456	7.5
105.07045	21.2
106.95152	2.7
107.04947	8.0
107.08595	15.7
108.04247	2.7
109.10161	11.3
114.10282	25.8
115.05453	6.7
117.07001	8.3
119.08574	17.8
121.06474	4.3
121.10114	14.8
123.04453	13.1
123.11746	4.2
125.09612	4.4
127.03915	5.3
131.04912	5.0
131.08577	5.7
133.10136	10.1
135.11681	6.9
137.05965	3.1
139.03880	9.5
139.11201	5.5
141.29236	3.4
143.08559	4.3
145.06483	10.4
145.10100	23.7
147.11685	5.8
148.05177	2.6
151.11192	5.0
152.04655	3.4
153.01849	7.2
156.05769	3.4
159.11705	9.0
161.13243	16.6
165.43404	2.5
167.07053	100.0
173.06015	13.8
181.04958	46.2
187.56638	3.2
191.07062	11.0
191.17961	5.2
195.06581	4.0
201.16409	19.6
205.08615	5.6
209.02518	4.3
217.08594	4.4
219.17433	58.9
233.08133	9.2
237.18509	37.6
255.06528	4.0
255.19453	19.3
313.16220	4.0
328.08557	3.4
353.10129	3.3
387.14374	13.0
417.15338	27.5
417.20880	16.5
417.26413	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.0
53.84531	2.2
55.05507	5.4
63.42154	2.2
65.03937	5.2
67.05508	9.9
68.30344	2.3
68.82127	2.2
69.03420	4.3
69.07071	11.2
70.06591	11.3
71.04973	3.4
71.51675	2.7
78.04712	4.8
79.05487	11.3
80.48780	2.7
81.07054	12.2
82.04226	2.5
84.72312	2.3
85.02904	6.2
91.05479	10.8
93.07072	11.6
95.04968	6.0
95.08611	13.3
97.02901	9.8
97.06535	7.0
101.29579	2.6
103.05463	6.7
105.07039	13.1
107.04939	8.1
107.08603	18.0
109.06565	2.9
109.10147	11.6
115.05453	5.8
117.07048	5.3
119.08593	23.1
121.06513	4.3
121.10174	7.4
123.04459	13.0
131.04916	2.7
131.08556	8.1
133.10141	7.5
134.09654	2.6
135.11729	4.0
137.05997	5.2
138.92505	2.3
139.03918	5.0
142.04990	17.9
145.06529	9.3
145.10139	23.9
148.05148	3.1
149.09605	2.4
151.03899	4.6
153.01854	3.8
155.05991	3.6
157.26096	2.3
159.11700	7.0
161.13297	4.4
162.12799	11.0
163.07619	3.4
163.11189	9.7
165.37555	2.6
166.57977	2.3
167.07051	100.0
173.05974	19.6
175.56805	2.4
181.04955	41.5
191.07043	11.1
201.16400	39.2
205.08508	3.7
206.15453	5.2
219.17470	34.3
233.08115	7.4
241.12280	2.9
276.23264	10.0
303.16928	2.9
387.14325	12.8
399.14594	2.8
417.15598	22.3
417.27640	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.6
65.03943	3.6
67.05502	8.8
69.03422	3.8
69.07068	6.5
70.06598	7.3
71.03048	5.1
71.04998	12.6
76.96797	2.0
78.04710	2.2
79.05494	11.7
81.03420	4.7
81.07056	21.7
83.08643	2.9
84.08166	5.4
85.02908	6.1
91.05476	12.2
93.07034	11.9
95.04980	4.8
95.08636	12.2
96.04500	2.1
97.02897	6.2
97.06553	5.7
97.10182	2.5
103.05455	3.2
105.07030	20.9
107.04971	7.6
107.08606	9.0
109.10153	7.2
111.08122	2.6
114.66367	2.2
115.05460	3.2
117.07013	7.3
119.08587	8.1
121.02868	2.2
121.10133	5.8
123.04449	12.6
123.11720	4.1
124.05231	3.5
125.05994	2.6
125.09606	10.4
129.07019	3.1
129.24646	2.2
131.08578	4.1
133.10127	30.6
135.11710	3.3
137.05943	2.4
139.03899	6.9
142.05000	3.9
143.10684	8.3
145.06506	9.3
145.10172	6.0
147.04419	3.1
147.11700	6.5
149.13269	6.3
151.07552	4.2
153.01794	4.6
155.06044	4.6
159.11713	4.7
161.13205	4.3
163.03838	2.6
163.07573	3.1
167.07047	100.0
167.14320	16.6
173.06006	14.4
179.42960	2.1
181.04947	35.4
181.06506	3.2
191.07043	9.1
193.08627	2.3
201.16382	2.9
205.08621	4.4
217.08604	5.2
219.17500	12.7
232.34735	2.1
233.08060	6.6
235.09711	3.7
237.18481	7.2
267.06595	4.3
276.23099	3.2
319.20065	4.4
387.14471	12.3
397.63699	2.3
417.15631	20.5
417.20514	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	417.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.6
65.03943	3.6
67.05502	8.8
69.03422	3.8
69.07068	6.5
70.06598	7.3
71.03048	5.1
71.04998	12.6
76.96797	2.0
78.04710	2.2
79.05494	11.7
81.03420	4.7
81.07056	21.7
83.08643	2.9
84.08166	5.4
85.02908	6.1
91.05476	12.2
93.07034	11.9
95.04980	4.8
95.08636	12.2
96.04500	2.1
97.02897	6.2
97.06553	5.7
97.10182	2.5
103.05455	3.2
105.07030	20.9
107.04971	7.6
107.08606	9.0
109.10153	7.2
111.08122	2.6
114.66367	2.2
115.05460	3.2
117.07013	7.3
119.08587	8.1
121.02868	2.2
121.10133	5.8
123.04449	12.6
123.11720	4.1
124.05231	3.5
125.05994	2.6
125.09606	10.4
129.07019	3.1
129.24646	2.2
131.08578	4.1
133.10127	30.6
135.11710	3.3
137.05943	2.4
139.03899	6.9
142.05000	3.9
143.10684	8.3
145.06506	9.3
145.10172	6.0
147.04419	3.1
147.11700	6.5
149.13269	6.3
151.07552	4.2
153.01794	4.6
155.06044	4.6
159.11713	4.7
161.13205	4.3
163.03838	2.6
163.07573	3.1
167.07047	100.0
167.14320	16.6
173.06006	14.4
179.42960	2.1
181.04947	35.4
181.06506	3.2
191.07043	9.1
193.08627	2.3
201.16382	2.9
205.08621	4.4
217.08604	5.2
219.17500	12.7
232.34735	2.1
233.08060	6.6
235.09711	3.7
237.18481	7.2
267.06595	4.3
276.23099	3.2
319.20065	4.4
387.14471	12.3
397.63699	2.3
417.15631	20.5
417.20514	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	417.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
53.94957	1.0
55.01891	1.3
55.05508	2.7
56.49294	0.9
57.03422	2.7
64.09821	1.0
65.03931	4.1
67.05501	4.8
69.03443	2.1
69.07064	3.1
70.06593	3.2
71.51149	1.4
71.51581	1.4
78.04698	2.8
79.05489	8.0
81.07067	10.9
84.08121	1.1
85.02904	1.9
91.05495	5.4
92.04974	1.4
93.07055	3.1
95.04987	2.1
95.08602	1.2
96.08136	2.3
97.02890	1.4
97.06530	2.6
102.05225	0.9
103.05478	4.7
105.07043	1.4
106.04150	1.4
107.04958	5.7
107.08578	1.9
108.04530	1.0
109.10161	2.5
114.10332	1.2
115.05453	2.9
117.07016	7.4
118.04167	1.5
119.08575	2.1
121.10149	1.4
123.04433	7.1
124.05203	2.3
124.07607	4.4
125.05946	1.3
131.04938	3.9
131.08633	1.1
131.69797	1.1
133.10168	2.0
135.04453	1.3
136.07555	1.1
137.06010	1.4
138.03223	1.7
138.09134	1.3
139.03918	2.3
145.06503	7.7
148.04063	1.4
148.05188	2.7
151.03979	1.5
151.07561	2.5
152.03430	2.6
152.04613	2.6
152.07155	1.9
155.06052	3.5
157.06483	1.2
162.09177	2.5
163.03961	1.7
163.07538	3.9
164.10730	3.0
166.04970	6.8
167.07048	100.0
171.09230	1.2
173.05962	14.3
176.03445	2.3
180.13904	3.1
181.04964	43.0
183.09157	1.7
184.09943	2.2
185.77614	1.1
191.07034	10.5
193.05109	1.2
195.06432	1.6
198.07857	2.5
199.08638	3.3
200.10684	3.1
204.13916	5.5
205.08641	3.4
206.15408	8.8
208.17003	1.7
209.10710	1.4
211.08768	2.6
212.09319	6.2
213.10292	1.9
217.08710	2.1
222.14923	4.6
227.11746	7.6
228.10179	3.1
230.59108	1.2
233.08022	7.7
235.09644	3.4
237.10197	1.4
239.08186	2.1
240.08990	3.9
241.09680	3.8
244.08411	2.6
253.09567	1.2
255.11345	9.0
257.09216	4.7
257.12875	1.4
265.09674	1.9
269.09360	2.7
270.09982	2.4
271.10458	1.2
273.12347	2.0
283.10782	99.1
284.10980	2.9
285.12250	2.5
287.10287	6.2
288.11035	2.8
301.11829	56.5
302.12308	1.5
319.12891	55.5
320.49149	1.1
329.11349	14.6
357.17758	2.8
367.12064	1.1
381.18298	2.2
385.12714	1.4
387.14459	12.0
399.14154	2.4
399.19199	30.3
417.15369	25.9
417.20349	16.3
418.25894	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
58.06607	3.1
68.05002	0.4
68.73576	0.4
69.03439	0.6
70.06596	1.7
72.08172	0.7
79.05478	0.4
82.86996	0.4
84.08149	100.0
85.02931	0.5
85.08490	1.1
86.09735	0.4
91.05509	0.6
95.04956	0.5
97.00190	0.3
105.07041	0.6
110.92464	0.4
117.03414	1.0
117.07035	0.4
118.41683	0.4
119.04925	0.9
123.04443	5.4
127.12328	40.8
128.12622	0.6
135.04428	0.7
135.08112	0.4
139.03888	0.6
145.02919	1.0
147.04436	2.4
151.03947	2.1
155.03484	0.4
163.03992	0.6
163.07608	1.7
165.37576	0.4
173.05968	0.6
177.05490	2.0
179.07098	0.8
181.04988	0.6
189.05707	0.4
191.07031	5.9
193.08665	1.3
195.02623	0.5
199.03755	1.2
222.11160	2.4
241.03191	2.1
249.52640	0.4
417.08270	0.9
417.15610	0.6
417.20413	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	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03942	1.1
55.01862	1.2
55.05494	0.8
65.03940	4.0
67.05495	2.5
69.03397	0.6
69.07076	1.0
70.06612	1.1
70.08990	2.7
71.05101	0.5
78.04707	2.6
79.05494	4.1
81.03416	0.9
81.07069	1.6
82.04202	1.1
84.08106	0.6
85.02904	2.4
91.05470	3.1
93.07053	1.0
95.04964	2.1
95.08603	1.2
95.88670	0.6
97.02876	1.4
97.06534	1.5
103.05476	7.1
105.03408	1.0
105.07052	1.4
106.04155	2.1
107.04968	5.7
107.08568	1.5
108.02087	0.6
109.10155	1.4
110.03671	1.3
111.04461	0.6
114.10193	0.7
115.05473	3.3
117.07014	5.6
118.04184	1.7
119.04969	0.9
121.06519	0.8
122.03691	0.7
123.04452	7.9
124.05231	2.5
125.05980	1.7
125.09840	0.6
127.05446	1.0
129.07010	0.6
130.04134	0.8
131.04945	4.8
133.02924	0.8
133.06508	1.1
134.03687	0.8
137.05992	1.9
138.03125	1.2
139.03934	0.9
141.63846	0.6
142.02588	0.6
145.06473	8.0
146.03693	0.8
148.05199	2.9
151.03909	1.5
152.04707	2.9
153.01878	0.8
153.05490	1.0
155.04906	0.7
155.06042	3.2
157.06528	0.6
161.06039	0.8
163.07553	6.2
165.05457	1.0
167.07051	100.0
168.07376	0.6
171.06581	1.8
173.05997	15.1
175.07619	1.2
178.15869	0.6
181.04967	45.5
191.07042	19.5
195.06502	1.0
201.05524	1.3
205.08620	3.4
207.06476	0.6
217.08583	1.2
219.10197	1.2
221.07991	1.1
233.08083	9.2
235.09634	3.9
241.08598	0.9
245.08350	0.6
263.09219	1.1
300.86172	0.6
307.09601	0.7
325.10724	0.6
329.10153	2.0
381.13510	1.1
387.14401	13.0
399.14368	1.6
417.15414	28.4
417.26718	1.3
418.15961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.5
53.03932	1.7
55.01862	1.1
55.05508	1.1
57.03413	0.6
57.07055	0.5
65.03939	2.9
67.05509	3.1
69.03423	1.4
69.07043	0.6
70.06593	2.0
75.02656	0.5
78.04707	2.3
79.05507	4.3
81.03410	1.4
81.07059	3.2
82.04197	1.3
83.04973	0.7
85.02907	2.2
91.05479	3.5
93.03438	0.9
93.07058	1.0
95.04965	2.1
95.08607	1.2
97.02900	1.5
97.06509	1.5
97.10162	0.6
103.05476	4.8
105.03383	1.1
105.07041	2.4
106.04166	2.6
107.04964	6.5
107.08602	1.0
108.02071	0.8
109.06521	0.8
109.10161	1.0
110.03668	0.8
111.04433	1.1
115.05496	3.5
117.07029	6.0
118.04162	0.9
119.04992	0.6
119.08596	1.3
121.06485	1.3
121.10173	0.6
122.03659	1.1
123.04432	7.6
123.08056	0.6
124.05220	3.6
125.06012	1.6
127.05449	1.1
129.07024	0.7
130.04189	1.0
131.04921	3.8
131.08591	1.0
133.06479	1.0
133.10110	0.6
135.04382	0.6
135.11624	0.6
137.05974	1.1
137.09596	0.5
138.03142	0.9
139.03949	0.8
142.02600	1.0
145.06483	7.0
147.04419	0.5
147.08064	1.2
148.05153	2.0
149.05984	1.1
151.03923	1.9
152.04700	2.8
153.05501	1.6
155.05019	0.6
155.06068	3.3
159.08083	0.6
161.05971	0.5
162.06734	0.6
162.12782	0.6
163.03876	0.9
163.07550	3.7
167.07051	100.0
168.07399	1.7
171.06557	1.3
173.05995	14.4
175.07663	1.1
179.07069	0.7
181.04971	39.5
191.07045	11.9
192.09557	0.6
193.08647	0.7
195.06491	0.7
198.82402	0.6
201.05510	0.9
201.16443	0.5
203.06995	0.7
205.08646	3.3
207.06528	0.8
217.08658	0.9
219.10233	0.7
229.07414	0.5
233.08067	7.5
235.09679	3.8
251.09363	0.6
255.11241	0.7
263.09286	0.9
283.10858	4.7
287.10254	0.6
301.11932	3.5
319.12930	3.3
329.10800	1.8
367.11639	0.6
381.13300	0.8
385.12714	0.7
387.14438	10.6
388.14163	0.5
399.14484	0.9
399.19312	1.2
417.15442	20.9
417.25482	1.0
418.15848	0.9
418.25909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01873	2.3
55.61951	0.9
61.93435	0.8
68.99799	3.2
69.03432	72.8
70.06585	1.6
71.04988	0.8
79.05505	4.0
79.40095	0.9
81.03407	1.6
81.07067	1.7
83.04984	1.6
85.02893	2.4
91.05479	1.9
95.04956	3.4
95.72746	0.8
97.02893	1.8
97.06497	1.2
105.07040	1.8
107.04958	100.0
109.02891	1.7
111.00784	0.8
111.04456	5.1
115.05377	1.3
119.04925	2.1
121.02844	7.0
121.06476	1.4
123.00822	0.9
123.04449	6.6
125.06041	1.0
131.04948	2.2
133.06506	0.9
135.04417	17.8
137.02397	1.6
139.03902	7.6
141.01834	1.3
141.06976	1.1
143.04929	0.9
145.06488	1.5
147.04424	4.3
147.11661	0.8
149.02351	5.1
151.03912	2.8
153.01868	7.4
153.05458	0.9
155.08635	1.0
159.04453	1.0
161.05939	1.7
163.03947	6.9
165.01837	37.5
165.05545	1.3
165.06967	1.0
167.06995	2.3
171.04433	1.2
173.02379	3.9
173.05960	3.2
175.03923	2.6
177.01837	14.4
177.05463	1.9
179.03331	5.1
181.04974	1.5
181.06421	1.0
183.02888	9.9
187.03915	3.1
189.01881	1.2
189.05429	1.5
191.03415	9.6
191.07080	1.7
193.04977	3.7
195.02866	4.1
197.06021	1.1
199.03853	0.8
201.05415	0.9
201.78119	0.8
203.03383	10.0
203.06879	0.9
205.04985	1.8
206.96510	0.9
207.02892	2.4
207.08005	1.5
210.75027	0.9
211.07617	1.7
215.03406	3.4
215.07118	2.5
217.04951	5.5
217.08665	1.3
219.02896	15.2
219.06207	4.2
221.04303	2.1
225.08980	1.3
227.07005	1.9
231.06451	1.6
234.06914	0.9
235.07532	1.3
239.07076	7.5
241.05020	2.3
241.08572	1.3
243.06558	3.5
245.04466	16.2
247.05975	2.8
253.08574	4.7
255.06540	8.9
255.11320	2.3
257.08124	1.5
261.03864	1.0
263.05457	22.8
265.08475	1.7
267.06534	8.7
269.08160	1.0
271.06012	6.2
279.06525	1.5
279.10135	1.5
281.08102	8.1
283.06079	4.9
283.08942	1.2
285.07495	2.3
293.08188	2.0
295.06000	10.7
297.07587	2.2
299.05383	2.3
301.07071	9.1
307.09647	6.3
309.07581	18.9
313.07031	4.8
321.07593	1.0
325.07037	2.0
325.10739	2.5
327.08481	1.6
332.72513	1.0
335.09259	6.2
337.06976	5.3
339.08658	1.8
353.10196	11.4
355.08105	16.3
363.08600	2.8
371.11105	4.1
381.09619	14.5
381.13928	1.5
399.10733	10.2
417.11847	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	415.1006
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
59.94692	5.4
67.25161	5.8
70.59726	14.9
70.60080	12.0
70.83047	5.8
70.86012	5.3
74.26797	5.8
76.09245	5.2
82.55613	5.7
84.08147	9.9
93.13512	5.8
100.58987	5.8
105.21334	6.4
123.20646	6.1
124.02405	5.7
144.50964	6.8
249.00337	6.2
263.25009	7.5
330.17801	6.1
349.91693	6.8
403.98328	6.4
415.04984	8.1
415.10080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1025
Annotation	Prodelphinidin B6
Peak:m/z	Relative Intensity
51.02380	0.5
53.03950	1.0
55.01869	0.8
55.05509	1.3
55.30833	0.5
67.05510	1.1
68.99784	2.9
69.03431	100.0
70.03757	0.6
71.04978	0.5
71.51617	0.8
77.03928	0.6
79.05495	1.3
81.03408	0.8
81.07082	0.7
83.04971	3.5
85.02907	1.2
91.05481	1.2
95.04993	2.4
105.03426	1.7
105.07068	0.5
107.04950	4.2
111.00812	0.5
111.04449	5.1
115.05464	1.3
116.21185	0.5
119.04987	0.9
121.02859	1.2
121.06504	1.0
123.04433	42.8
131.04933	1.0
133.02879	2.1
135.04433	13.2
137.02348	3.5
137.06046	0.8
139.03899	3.4
141.01903	0.9
147.04446	2.1
149.02408	2.1
149.05969	1.1
151.03929	2.2
153.01830	4.8
157.06490	0.6
159.04449	0.9
161.02364	4.0
161.05960	1.3
163.03928	2.2
165.01846	15.3
169.06509	1.0
171.04449	1.3
173.02399	2.0
173.06001	1.1
175.03990	1.9
177.01852	8.5
177.05515	2.1
178.99835	1.2
179.03407	3.2
181.06532	1.0
183.02901	2.9
185.05945	1.2
187.04019	0.8
189.01808	1.4
189.05463	2.4
189.93623	0.6
191.03490	1.9
191.07068	0.7
195.02942	2.1
197.00880	1.2
197.06009	1.3
199.03888	0.8
199.07542	0.8
201.05568	0.9
203.03374	7.5
203.04895	0.7
205.01364	0.8
205.04993	0.9
207.02914	0.7
209.06218	0.8
213.05540	1.8
215.03403	1.6
215.07034	0.6
217.01480	0.9
217.05046	4.0
219.02988	1.9
219.06520	4.3
221.04480	2.5
223.07498	0.7
225.05547	1.0
227.07143	0.7
227.21812	0.5
229.05026	1.1
231.06490	1.2
237.05531	0.8
241.05043	1.2
243.06671	0.7
245.04457	13.1
245.06776	0.9
247.06061	1.7
249.08971	0.5
253.05048	0.8
255.06595	4.3
257.04550	1.4
258.05243	1.2
259.06067	1.8
261.03909	0.7
263.05435	11.1
265.05157	0.7
267.10352	0.6
269.08148	1.0
271.06033	5.2
271.09039	0.6
275.05637	0.6
277.08743	1.0
279.06638	0.7
281.04269	0.5
281.08188	1.0
283.06006	7.3
287.05569	2.3
291.06580	0.8
295.06265	0.7
295.09729	1.9
297.07599	3.5
299.05621	6.7
299.09079	1.1
301.07166	0.8
305.07764	0.5
309.07687	2.3
311.05502	9.4
311.08862	0.7
315.05209	1.1
317.06503	3.5
323.09204	5.9
325.07059	4.6
327.08649	1.3
329.06744	1.3
337.07169	1.5
341.06442	1.1
341.10245	2.1
351.08676	9.4
353.06516	1.5
355.08295	0.8
357.06204	0.7
361.07245	0.7
369.09747	12.5
379.08136	4.6
381.68961	0.6
387.10635	2.9
397.09177	9.5
415.10532	2.6
415.26743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3781
Annotation	Adiantone
Peak:m/z	Relative Intensity
53.03928	0.7
53.22843	0.6
55.01869	1.4
55.05505	3.2
57.07082	5.3
58.54513	0.6
65.08527	0.8
67.05518	3.7
69.07073	7.6
70.99883	0.6
71.00209	1.6
71.08635	5.6
79.05499	10.6
81.07061	17.6
81.55659	0.6
83.04986	7.8
83.08641	3.1
85.10180	3.5
86.67448	0.6
91.05482	2.8
93.07055	4.7
95.08610	11.1
97.06536	93.3
97.10163	2.4
105.07029	3.7
107.05030	0.7
107.08598	5.7
109.06524	100.0
109.10152	5.6
111.11752	1.8
117.06995	1.0
119.08577	2.7
121.06490	1.3
121.10117	3.5
123.08076	11.7
123.11694	2.3
124.66780	0.6
131.08551	2.0
133.10136	2.6
135.11690	2.7
137.13255	1.0
142.79936	0.6
145.10112	3.1
147.11687	2.6
149.09627	0.7
149.13271	2.4
151.11172	0.9
157.10168	0.9
159.11700	2.9
161.13251	2.1
163.11191	2.4
163.14795	1.5
171.11670	0.9
173.13289	1.2
175.14874	0.8
177.12752	1.9
185.13304	0.7
187.14818	1.1
199.14784	1.1
201.16396	0.9
203.14468	1.1
203.17984	0.9
213.16402	1.9
215.17862	0.9
219.17439	1.0
227.17967	1.0
229.19547	0.8
241.19534	1.5
255.21129	1.7
297.25568	1.0
312.62936	0.8
331.33624	0.7
395.36868	6.2
413.33035	2.6
413.37796	65.1
414.38004	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.05513	59.3
57.03436	23.0
57.07078	61.0
58.06421	1.6
67.05186	1.7
67.05511	24.9
69.03429	2.7
69.07073	73.9
71.04989	2.6
71.08633	36.2
73.06553	2.3
79.05507	12.0
81.03440	2.1
81.07057	32.2
83.04978	3.9
83.08623	48.3
85.06530	2.5
85.10182	19.9
91.05469	3.2
93.07050	15.0
95.08610	35.8
97.06552	11.6
97.10179	36.2
101.06036	3.5
104.54665	1.6
107.08606	12.5
109.10157	10.8
111.08086	6.5
111.11732	12.2
115.07567	2.4
116.45985	1.8
121.10150	12.0
122.29225	1.6
123.11694	6.9
125.09651	8.0
125.13308	2.1
129.09061	2.2
133.10188	2.0
134.97575	1.6
135.11694	14.8
135.39285	1.5
136.81128	1.4
137.13275	3.3
139.11189	7.1
143.10693	2.7
145.53389	1.4
149.13245	9.9
151.07579	3.8
153.12747	3.9
153.22160	1.5
157.12300	3.5
163.14879	4.7
167.03001	1.5
167.14378	4.2
177.16406	4.2
181.15858	5.4
191.17970	4.3
195.17502	3.3
196.08676	1.5
205.19560	2.6
209.18968	3.2
219.21008	2.1
223.20596	2.2
251.23878	2.2
303.30438	8.3
321.31470	13.6
395.35278	16.0
413.36298	100.0
414.36798	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01868	2.1
55.05514	62.3
57.03442	23.7
57.07080	56.8
59.05004	1.0
63.98682	1.2
65.03899	1.0
67.05180	1.6
67.05509	24.6
69.03432	1.2
69.07072	75.3
70.90981	1.1
70.91321	2.4
71.04987	1.7
71.08635	34.3
71.11588	1.0
73.06559	1.4
75.04474	1.5
75.73833	1.1
77.01662	1.0
79.05499	11.6
81.07057	32.2
83.04988	2.7
83.08627	51.0
85.06551	2.2
85.10184	22.6
91.05443	1.1
93.01958	0.9
93.07052	14.1
95.08611	33.3
97.02901	1.1
97.06532	9.7
97.10176	35.0
97.24061	1.0
98.10492	1.0
99.08091	2.2
99.11696	1.8
101.06007	2.7
107.08602	11.2
109.10173	14.5
111.08088	7.1
111.11041	1.0
111.11729	10.7
115.07571	3.8
121.10146	13.1
123.11732	5.3
125.09624	4.7
125.13248	3.0
129.09099	2.1
135.11697	12.6
137.13249	2.3
139.11179	6.6
143.10727	1.9
143.27956	1.0
149.13271	8.1
153.12773	5.6
157.12276	1.3
163.14865	6.2
167.14314	4.5
171.13840	1.5
177.16429	5.2
181.15869	3.6
189.41168	1.0
191.17976	3.0
195.17438	3.6
205.19580	2.8
209.18967	3.1
213.18504	1.9
219.21080	2.5
223.20551	2.1
233.22574	2.0
237.22133	1.6
238.26408	1.1
239.18506	1.0
265.25473	2.0
303.30475	5.1
321.31512	17.1
395.35217	15.7
396.06351	0.9
413.36292	100.0
414.36627	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	413.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34309	2.6
53.03951	11.5
55.01859	3.7
55.05512	13.8
57.03439	26.5
67.05180	3.5
67.05509	48.0
69.03082	4.4
69.03435	53.4
69.07080	14.4
70.07198	9.4
71.04986	10.0
72.28157	2.3
73.02917	3.0
79.05502	28.1
81.02937	3.5
81.03421	73.8
81.07060	69.9
83.04984	24.1
83.08628	12.3
85.02908	21.3
85.06561	2.9
91.05498	23.6
93.07048	37.7
95.04974	5.4
95.08606	19.2
97.02900	41.8
97.06535	8.1
99.04473	15.0
103.03963	3.6
105.07027	15.4
107.04945	3.7
107.08594	24.6
109.02905	13.7
109.06487	3.4
109.10147	2.8
111.04446	5.0
111.08121	4.5
117.07056	15.6
119.08621	8.6
121.06464	4.5
121.10153	10.4
123.11724	4.0
126.91106	2.5
127.03926	24.3
129.05508	10.0
129.06999	2.5
131.08565	16.3
133.10135	11.9
135.08044	4.3
135.11711	11.4
145.04958	3.6
145.10149	2.4
147.11684	9.0
149.13275	27.8
151.11221	3.7
157.10120	5.8
159.11734	20.0
165.12784	4.2
177.12794	14.4
177.87683	2.5
183.06534	2.8
195.13838	28.9
213.14931	9.1
269.17429	11.8
303.15753	3.0
321.17145	3.2
339.18066	11.8
395.20728	7.3
400.13315	2.5
413.21762	100.0
414.22031	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	411.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71683	2.1
70.06599	3.6
70.20463	2.2
71.42811	3.6
78.97208	2.2
79.05474	2.2
98.97578	7.7
110.97594	5.6
111.04485	2.3
128.78789	1.9
128.98602	2.7
135.19411	2.3
135.37010	2.3
139.03909	8.0
140.04185	2.8
150.07755	4.7
161.05920	2.2
177.05359	3.1
180.07758	2.5
216.58168	2.2
219.01897	3.2
237.02872	6.1
252.26254	2.2
266.16388	2.2
285.13763	4.5
411.17691	100.0
412.17996	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
54.02226	0.5
62.98744	0.5
69.73741	3.3
70.06604	0.9
71.05620	0.5
74.06074	2.3
102.05555	1.4
117.03397	0.9
119.03542	3.6
120.06598	9.1
136.06198	100.0
137.04604	1.5
137.06548	0.7
145.02864	1.6
146.03200	1.2
162.04128	61.0
177.05441	3.3
178.05823	2.9
181.63313	0.5
206.11697	0.6
251.05414	0.5
268.10416	0.9
281.09958	49.4
354.52255	0.6
413.14435	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	411.1076
Annotation	Epicatechin 3-O-p-hydroxybenzoate
Peak:m/z	Relative Intensity
50.32295	0.9
52.14954	0.7
52.53666	0.9
55.01872	1.5
58.48409	0.9
64.72289	0.8
65.03951	6.3
67.05525	1.4
68.99793	1.3
69.03432	1.1
69.48461	4.2
69.48871	1.8
70.06577	1.7
79.95387	0.8
81.03413	1.0
81.07054	1.8
85.02921	1.8
90.52554	0.8
91.05460	1.1
93.03388	1.0
93.07063	0.7
94.05045	0.9
95.04996	1.8
99.08994	0.9
105.03409	1.2
105.07034	1.0
111.00812	1.2
111.04477	4.9
119.04958	1.2
119.08620	1.0
121.02878	100.0
121.03917	4.7
121.10110	0.9
123.04438	62.6
127.03926	1.0
135.04436	1.0
139.03909	58.8
147.04419	3.9
151.03917	11.7
161.05988	1.0
163.03893	2.7
165.05414	1.2
189.05603	1.4
216.12222	0.9
255.06639	1.1
266.16071	1.1
273.07559	3.8
291.08722	2.0
304.84668	1.0
306.95850	0.8
391.71356	0.8
411.10492	1.0
411.19669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.3
57.07079	32.8
57.31476	1.3
65.68990	1.3
67.05489	5.8
69.07062	1.8
71.08635	26.5
73.06556	4.5
79.05493	3.1
81.07044	5.4
82.43212	1.7
83.08626	2.5
85.10191	21.6
89.06036	100.0
91.05477	2.7
93.07039	4.6
95.04961	5.6
95.08584	4.6
97.06561	1.9
97.10166	2.7
98.21479	3.1
99.11726	2.5
105.07041	10.6
106.07376	3.6
107.08529	2.3
109.06548	1.7
109.10150	1.9
117.06998	1.9
119.08624	7.0
120.08904	3.3
121.10138	2.4
126.91853	1.5
131.08586	2.3
133.07663	3.0
133.08618	44.0
133.10126	2.2
135.11713	1.6
136.12090	1.8
137.56924	1.6
145.10120	3.3
147.08081	1.6
147.11653	3.9
148.12001	1.6
149.09572	1.6
151.07486	2.3
151.09630	5.7
155.17897	3.1
160.12007	1.8
175.11215	1.8
177.11234	12.3
183.91370	1.6
184.12125	1.5
195.12265	4.1
221.15463	3.0
222.15662	3.7
225.16360	1.9
239.14877	26.0
243.23172	5.9
287.25760	2.6
303.96356	2.0
393.32178	26.3
410.27542	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	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03927	1.2
53.24641	1.1
55.05513	7.4
55.92437	0.9
57.07087	8.7
65.03916	1.2
67.05181	1.4
67.05512	20.4
68.51151	1.0
69.07072	17.4
70.81244	1.4
70.81590	2.3
71.08634	1.9
75.97932	0.9
79.05500	7.9
81.07061	71.6
83.08635	7.7
91.05482	5.4
93.07050	17.1
95.08612	100.0
97.10165	3.7
103.99492	1.0
105.07035	11.1
107.08599	22.0
109.10161	30.5
111.11736	1.7
114.29121	1.0
117.07015	1.3
119.08596	11.4
121.10156	20.5
123.11708	19.2
131.08548	3.4
133.10146	10.8
135.11707	17.7
137.13264	54.2
142.41719	1.1
145.10156	5.9
146.10635	1.2
147.11708	7.2
149.13252	14.3
151.14847	3.7
159.11681	4.6
161.13252	5.5
163.14862	8.4
164.28195	1.0
170.22940	1.0
173.13261	4.5
175.14842	3.8
177.16373	4.3
179.18028	1.7
184.37990	0.9
187.14832	4.2
189.16362	6.3
191.17906	3.8
193.19542	1.8
201.16385	2.3
203.17961	5.3
215.17928	6.1
217.19482	4.5
229.19455	5.7
231.21054	2.9
240.68225	1.2
245.22820	1.5
257.22604	3.9
259.24207	7.2
271.24210	5.3
285.25720	1.8
409.38321	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75225	2.4
55.05516	22.4
57.07078	12.3
67.05522	22.3
69.07072	69.5
70.90440	7.8
71.08630	4.8
79.05496	17.0
81.07066	95.3
83.08633	19.4
86.36596	2.5
87.55578	2.3
91.05475	12.3
93.07044	27.7
95.08617	88.4
97.10188	7.7
105.07049	24.9
107.08596	40.3
109.10168	63.8
109.10818	2.2
111.11746	6.2
117.07021	4.8
119.08591	36.3
121.10164	40.3
123.11719	30.1
125.13288	2.6
131.08580	8.8
133.10135	23.2
135.11699	22.9
137.13255	15.0
145.10156	16.1
147.11723	19.9
149.13309	16.4
151.14796	3.2
157.10156	5.2
159.11679	24.8
161.13275	24.2
163.14818	14.6
171.11606	5.4
173.13319	21.8
175.14874	15.0
177.16447	9.3
185.13261	3.0
187.14894	8.8
189.16467	12.4
191.17958	7.1
201.16429	10.3
203.18010	9.5
213.16451	7.1
215.17993	11.2
217.19566	6.4
229.19524	19.9
231.21092	6.4
243.21078	7.5
245.22778	3.9
257.22812	7.8
259.24384	6.4
271.24255	8.9
285.25937	6.3
299.27301	5.0
325.29031	3.8
327.30527	5.1
353.31970	4.9
367.33655	3.3
409.38364	100.0
410.38690	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05514	22.3
57.07057	8.6
67.05508	30.6
67.20139	3.1
69.06728	4.2
69.07067	48.9
69.15281	5.4
69.15683	25.8
71.08597	5.5
79.05513	16.8
81.07056	71.5
83.08617	20.2
91.05476	9.5
93.07050	27.5
93.45586	2.5
95.08613	70.7
97.10158	9.7
105.07033	26.2
107.08593	41.1
109.10151	49.4
117.07063	3.2
119.08586	29.3
121.10142	35.6
123.11707	28.1
131.08554	11.3
133.10152	27.4
135.11707	25.4
137.13243	12.0
138.73483	3.3
138.97807	2.7
143.08609	5.4
145.10120	15.5
147.11687	23.6
149.13280	21.6
151.14873	3.4
157.10146	5.1
159.11699	22.4
161.13286	22.0
163.14819	9.3
171.11696	3.2
173.13293	20.0
175.14873	11.7
177.16373	8.1
185.13196	5.2
186.95851	2.6
187.14795	8.4
189.16371	15.2
191.17953	7.2
201.16351	10.4
202.26797	2.9
203.17960	10.2
205.19525	3.4
213.16405	5.3
215.17986	9.8
217.19550	8.4
227.17859	3.0
229.19594	6.5
231.21098	6.3
243.21017	3.8
245.22577	3.8
257.22638	6.8
259.24246	3.6
269.22684	3.6
271.24295	8.2
285.26004	4.6
299.27234	5.4
327.30554	7.6
339.30316	3.9
353.32126	5.9
409.38290	100.0
410.38495	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01860	2.2
55.05512	21.0
57.03432	1.9
57.07072	8.8
57.40878	2.4
65.03939	3.4
67.05510	26.4
69.03432	8.3
69.07063	7.4
69.33424	16.6
71.04974	3.2
79.05498	21.6
81.03402	2.1
81.07061	30.6
83.04964	7.0
83.08624	3.9
85.06571	2.5
91.05487	34.8
93.06499	2.4
93.07056	35.4
95.04985	46.3
95.08618	29.0
97.06520	6.0
103.05466	3.4
105.07041	100.0
107.08599	23.6
109.06538	10.5
109.10188	13.0
111.08086	3.0
117.07042	15.7
119.04980	3.1
119.08588	55.5
121.06527	14.5
121.10173	14.2
121.30435	1.8
123.08067	13.8
128.06190	5.8
129.07011	6.7
130.07779	5.4
131.08546	20.1
133.06517	5.2
133.10132	14.9
135.08031	14.9
135.11656	4.6
137.09595	7.9
140.84695	2.1
141.06967	2.6
142.07803	11.2
143.08580	15.8
144.09441	2.0
145.06461	2.6
145.10138	31.8
146.10864	2.1
147.08090	14.7
147.11705	40.9
148.08902	2.2
149.09653	11.5
151.07561	14.4
153.09085	2.6
155.08549	6.1
156.09314	4.5
157.10130	14.2
159.08060	6.0
159.11711	11.9
161.09566	3.7
161.13211	5.5
163.11238	3.6
165.09126	29.9
167.08559	3.2
168.09370	3.7
169.10101	9.2
171.11711	7.1
173.09625	3.8
173.11841	2.9
173.13281	7.5
175.11201	24.8
177.09113	3.1
178.09798	2.8
179.08611	3.6
181.10146	5.6
181.12373	3.5
183.11691	7.3
185.13274	6.0
187.11143	2.4
189.12770	5.1
195.11665	1.9
197.13341	5.2
199.11218	2.9
201.12714	6.9
201.16516	3.1
203.14305	12.4
207.13814	7.6
209.13287	3.4
210.13647	2.2
211.14806	4.5
213.12743	3.1
216.15282	2.3
219.13770	2.8
221.15384	53.7
223.14833	2.2
233.15411	3.9
234.16179	15.0
287.19992	5.5
300.20886	5.2
329.21136	5.4
332.35846	2.4
372.10657	2.5
391.26123	3.9
392.30771	2.7
409.27301	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03938	7.0
55.05517	19.2
57.03472	1.7
57.07073	9.3
57.86617	2.0
59.04993	6.1
61.39889	2.1
66.46971	1.7
67.05508	33.9
69.03417	7.7
69.07062	8.4
77.03934	2.6
78.66145	2.0
79.05492	22.7
79.13856	1.8
81.03424	2.5
81.07063	40.4
81.36555	1.9
83.04969	4.8
83.08621	3.2
85.06549	3.6
89.06000	2.1
91.05487	41.2
93.06486	3.8
93.07052	59.9
95.04976	53.0
95.08611	40.9
96.55952	2.0
97.06515	12.2
103.05486	4.3
105.07037	100.0
107.08605	30.2
109.06528	13.8
109.10167	17.0
111.08098	2.5
115.05423	3.9
117.07011	14.8
119.08587	65.9
121.06519	18.3
121.10133	15.4
121.57752	2.1
123.08067	25.4
125.06000	3.2
125.09661	2.1
128.06215	7.1
129.07025	8.8
130.07771	4.4
131.08588	24.4
133.06488	5.4
133.10152	20.7
135.08049	15.3
135.11691	8.5
137.06033	3.1
137.09644	10.5
141.06969	6.5
142.07817	12.4
143.08560	20.8
144.09346	3.0
145.06505	2.8
145.10126	44.4
147.08047	19.3
147.11693	31.3
149.09598	10.7
151.07564	25.3
151.11195	2.1
153.06989	3.1
153.09105	3.3
155.08580	9.3
156.09370	6.0
157.10130	25.6
158.10901	3.1
159.08066	7.5
159.11702	18.1
161.09610	7.5
161.13168	3.0
163.11214	4.8
165.09128	33.0
167.08554	3.5
168.09355	6.7
169.10091	15.0
170.10896	3.0
171.11642	13.2
172.08936	2.0
173.09663	5.7
173.13243	8.4
175.11194	23.4
175.14845	2.4
177.09093	4.3
178.09975	2.1
181.10146	5.1
181.12163	5.0
183.11705	14.3
185.13303	8.2
187.11267	7.2
187.14832	3.5
189.12785	5.2
191.14282	4.5
193.10188	3.9
195.11729	5.2
197.13300	6.0
198.56346	2.0
199.11174	3.7
199.14822	2.6
201.12785	10.7
203.14302	13.0
207.11894	3.1
207.13820	8.0
208.12524	2.3
209.13255	5.7
209.15298	4.7
211.14862	8.5
215.14288	3.2
219.13776	4.7
221.13445	2.7
221.15378	70.9
222.84503	2.3
223.14793	4.9
225.12762	2.1
225.16396	3.1
229.15918	6.2
231.13940	3.5
233.15405	5.6
234.16132	12.6
235.14839	3.3
239.14465	2.6
241.15889	2.6
269.19119	3.4
287.20135	9.2
299.19971	4.0
300.20956	3.2
313.21494	2.7
317.20822	2.7
329.21152	5.8
367.43573	2.0
391.26282	6.6
409.27347	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37093	0.3
56.96555	0.5
68.05013	0.5
70.06595	1.0
70.49351	1.3
71.04991	0.5
71.66447	0.4
79.89128	0.4
82.02945	1.9
86.35019	0.3
95.04966	0.4
99.04475	0.7
100.26875	0.4
110.02409	1.1
111.03173	0.6
112.00331	0.6
114.05538	22.7
119.04995	0.4
122.06038	0.7
123.04454	3.0
123.06731	0.5
124.05083	1.8
126.05503	0.6
135.04375	0.6
137.02368	2.3
138.01854	1.5
140.07039	0.6
142.05028	4.5
146.04478	0.4
147.04344	0.5
149.04607	13.3
150.04224	0.7
152.03432	1.2
155.03438	1.4
156.06598	0.5
163.03922	1.8
165.06619	0.5
166.07257	100.0
167.05623	0.9
167.07588	0.9
168.06544	0.4
169.04985	12.7
170.04503	1.0
174.07657	3.6
175.03940	0.7
177.01834	0.4
180.02933	1.4
182.08269	0.8
184.06078	0.9
192.05196	0.8
193.04921	0.7
198.07719	0.7
203.03502	0.9
206.10362	0.8
209.04517	0.4
212.05536	1.3
216.08867	3.0
220.08344	0.4
228.08839	0.5
229.04750	0.5
234.09738	0.4
244.08186	11.4
245.04514	0.9
255.09924	0.5
257.04456	1.6
259.05991	0.6
266.06833	0.8
271.05994	0.6
283.06155	0.9
287.05521	3.7
298.09335	0.9
299.05359	0.5
299.08926	0.5
331.11838	0.4
341.09634	0.4
373.12653	1.0
377.11984	0.7
391.13760	2.0
409.09125	2.8
409.14676	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.05518	17.1
57.07071	8.6
65.03941	3.6
65.70937	2.6
67.05511	28.2
67.09530	2.4
69.03425	8.4
69.07054	10.5
71.04990	2.9
79.05499	27.3
81.07059	38.5
83.04974	4.6
83.08618	4.3
85.06538	2.8
91.05489	46.9
93.07050	52.7
95.04968	55.5
95.08611	32.0
97.03443	2.4
97.06534	10.9
103.05489	3.1
105.07037	100.0
106.07389	2.4
107.08598	28.4
109.06558	13.3
109.10187	12.8
111.08038	2.8
115.05482	3.2
117.07031	16.7
119.08591	68.2
121.06509	22.9
121.10145	19.6
123.08104	19.0
128.06252	5.3
129.07007	11.1
130.07790	4.4
131.08583	25.3
133.06448	4.0
133.10123	26.3
135.08017	12.8
135.11705	8.3
137.09631	9.6
141.07022	6.0
142.07805	11.4
143.08583	13.6
144.09375	4.0
145.10146	41.9
147.08092	18.8
147.11682	36.2
148.08780	2.7
149.09628	11.4
151.07542	19.3
155.08536	7.9
156.09300	7.6
157.10138	23.1
158.10915	3.0
159.08073	5.8
159.11687	17.7
161.09596	10.6
161.13203	3.3
163.07613	2.8
163.11160	5.6
164.16803	2.4
165.09132	36.4
167.08563	3.6
168.09375	5.5
169.10136	12.8
170.10867	3.8
171.11705	8.5
173.09669	8.2
173.13310	9.8
175.11191	25.1
177.09113	4.7
181.10130	8.6
183.11639	14.6
185.09727	3.5
185.13315	7.3
187.11134	3.6
187.14864	3.2
189.12770	6.6
193.10150	3.0
195.11627	7.7
197.13278	4.3
199.11304	2.7
201.12761	8.9
203.14397	15.7
207.13789	9.9
209.13298	5.2
209.15285	3.1
211.14827	6.3
213.12888	2.7
216.15141	3.2
219.13916	3.3
221.13521	2.2
221.15378	62.1
229.15958	5.5
234.16174	19.4
243.14133	2.8
287.20087	9.4
300.20898	5.6
329.21182	5.2
368.84863	2.7
391.26312	3.4
409.27350	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	409.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
55.01878	2.4
59.58030	0.3
63.02383	0.3
65.03939	0.4
67.01871	0.5
68.99796	2.9
69.03426	0.4
69.66548	2.2
71.01344	1.1
71.17036	0.3
73.55104	0.3
77.03886	0.4
77.34270	0.4
79.01852	0.7
79.05492	0.8
79.91799	0.3
81.07037	0.5
83.01347	0.7
84.04467	0.5
85.02907	0.5
89.03925	0.5
91.05467	1.0
93.46552	0.4
95.04927	0.6
105.07038	0.8
107.04965	1.2
109.02915	0.5
111.04472	0.4
114.19135	0.3
115.05471	2.3
117.07005	1.0
118.52043	0.3
121.02869	4.0
121.06491	0.4
123.04438	6.1
125.02365	0.5
127.03926	0.4
128.06206	0.9
129.07027	2.0
131.04990	0.8
133.06535	0.8
135.04442	2.5
137.02353	1.3
137.06047	0.5
138.05486	1.6
139.03917	7.9
139.05469	0.7
139.34261	0.4
141.06941	0.8
143.04919	2.4
145.02782	0.8
145.06519	2.2
147.04416	1.6
147.08018	0.6
149.02460	0.4
149.05925	0.6
151.03888	0.7
153.05478	2.9
155.06059	0.5
157.06509	3.8
159.04477	1.7
160.05211	0.5
161.05997	5.9
163.03920	100.0
164.04236	1.0
165.06953	0.4
167.03467	0.6
167.04929	1.0
169.06451	1.1
171.04424	2.5
173.05986	1.7
175.03955	1.4
175.07574	0.9
177.05466	1.2
185.06013	5.4
187.03914	1.2
189.05505	4.4
191.06966	0.5
193.04996	0.7
197.05998	1.6
199.03986	0.6
201.05502	3.0
203.03448	0.8
203.07062	1.2
205.05037	1.4
206.04625	0.4
209.05945	0.5
213.05492	10.6
215.07095	0.3
217.05020	1.7
225.05515	1.3
229.04945	3.0
231.06505	4.2
237.05464	1.0
241.04993	12.6
243.06477	3.2
244.03670	0.5
245.04395	0.7
247.06036	26.0
248.06479	0.7
255.06566	1.2
256.07318	0.4
257.04489	6.9
258.05133	0.8
259.06039	54.7
260.06342	1.4
265.05014	0.9
269.04401	0.4
271.05875	1.8
282.05255	1.0
283.06015	3.3
285.08505	0.7
287.05524	1.1
289.08051	0.6
297.07919	0.4
313.08295	1.1
317.07980	0.5
331.09167	0.9
345.07718	0.6
349.10355	1.1
367.08054	0.5
373.06854	0.6
391.08041	3.3
409.09250	17.8
409.18134	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	409.0918
Annotation	3,5,7,4'-Tetrahydroxy-3'-(5''-formyl-2''-hydroxyphenyl)flavanone
Peak:m/z	Relative Intensity
53.03919	1.3
55.01878	3.2
55.05511	5.5
56.04999	2.1
56.05828	1.3
57.03427	1.0
58.99590	3.5
60.99129	2.1
65.03908	0.9
67.05470	1.8
68.99791	7.0
69.07037	0.6
70.06540	0.8
71.28489	0.6
71.51101	0.7
76.02188	2.3
76.03986	1.0
77.03878	1.5
77.04288	0.6
78.01807	3.4
79.05455	1.5
81.03365	0.9
81.07070	3.9
82.07360	2.1
83.01341	0.7
83.06100	0.7
83.08611	4.4
84.04059	0.7
84.04502	10.1
84.08916	2.5
85.01069	0.6
85.04825	2.8
86.99068	3.2
87.00655	0.8
88.98602	1.4
89.02241	1.1
91.05460	1.6
95.04934	2.1
95.08595	1.1
96.08905	0.7
98.09648	2.6
99.10005	1.5
102.05521	1.5
103.05363	0.8
105.03361	2.1
105.06992	1.5
109.02850	1.1
111.00787	3.0
111.04390	0.7
113.04267	0.7
113.88549	0.6
115.03808	0.8
115.05422	1.4
116.01694	9.5
117.02043	3.5
117.05376	0.6
117.07063	0.6
118.01258	3.7
118.01971	0.8
119.01546	2.2
119.04917	1.7
120.02065	0.8
121.02844	1.1
121.06483	0.9
123.04430	74.0
123.10036	0.6
128.06110	0.7
129.06541	0.9
130.04938	2.0
131.05026	0.9
132.06400	0.7
133.06514	0.7
135.04370	1.8
137.02313	1.2
137.06044	0.7
139.03918	3.7
141.01785	0.8
141.06963	1.3
144.01160	3.4
144.02054	0.6
145.01385	1.2
145.02769	0.8
145.06445	1.3
146.00653	1.2
147.04420	6.5
148.04810	0.6
149.02292	2.4
149.05931	2.4
151.03894	8.3
153.01817	1.3
153.06941	1.9
154.05058	0.8
155.04953	1.3
156.08347	0.7
156.10182	1.6
157.06514	1.4
157.10464	0.8
158.07979	2.1
159.04396	2.2
159.06406	1.1
159.08389	6.1
160.06725	0.7
160.08693	2.6
161.02306	0.7
161.05974	3.0
162.02202	14.4
163.02461	5.7
163.03879	8.2
164.01685	3.2
165.02124	1.3
169.06488	0.8
171.04381	1.1
173.05992	3.6
174.09433	0.8
175.03908	20.6
176.08994	1.7
177.01891	1.0
177.05455	7.2
177.09323	2.0
181.04703	1.1
181.06480	1.9
183.04420	1.6
183.39476	0.7
185.05978	2.1
187.03908	6.0
188.04517	0.6
189.05467	9.8
191.03415	5.6
193.04974	22.0
193.06731	1.2
197.05949	2.3
199.03925	0.9
199.07356	1.0
201.05472	6.7
202.06242	1.9
203.03392	27.4
203.07036	1.0
209.04289	0.7
209.06010	1.6
211.04102	0.7
211.11607	0.9
213.05438	4.5
215.03424	8.2
215.06905	0.7
217.04967	6.4
219.06552	1.3
223.07663	1.1
225.05338	1.2
227.06949	1.0
229.04941	16.8
230.05698	2.3
230.07970	0.7
231.06555	2.6
237.05481	2.6
241.04958	4.9
243.06514	1.0
245.04463	31.7
246.04726	0.9
247.06010	2.2
251.06973	0.9
253.05005	1.1
255.06512	4.4
257.04453	35.1
258.05203	6.3
259.06030	10.7
259.11035	1.7
260.11411	3.4
261.10745	6.6
262.11047	18.4
263.11469	7.0
265.04990	2.0
268.08490	0.7
269.04553	1.2
271.06039	19.7
271.10886	2.3
279.06592	1.1
280.13947	2.3
281.04654	0.8
283.06018	28.4
284.06351	0.8
285.04099	0.8
285.08661	0.9
287.05505	100.0
288.05817	1.8
297.07532	5.6
299.05499	14.6
299.08646	0.5
313.11658	0.8
316.12225	0.9
323.10104	1.3
325.06934	1.1
334.15353	3.2
341.10886	1.7
349.49368	0.6
367.08313	2.0
373.13837	1.1
379.08228	1.7
382.21515	0.7
391.08008	3.8
391.15103	2.5
409.09204	95.7
409.15887	8.1
410.09497	3.3
418.56976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30250	0.9
70.15491	4.6
70.15819	1.0
70.99841	1.4
77.00929	1.6
79.96128	1.1
81.03415	1.5
81.99086	1.5
82.99854	3.4
85.02934	2.8
89.00899	2.9
91.05480	2.0
97.01393	3.4
97.02870	2.2
100.00107	2.6
101.00890	24.8
103.02432	1.7
109.01351	1.4
109.02839	3.0
113.00868	9.2
115.02455	7.2
117.14774	1.1
118.01157	3.3
119.01929	22.3
119.04908	2.2
123.04435	2.7
126.01667	1.9
127.02419	8.7
127.03860	1.9
129.04007	1.2
131.01901	11.3
133.03458	6.9
138.01614	2.5
139.02400	5.4
141.03923	3.8
142.01118	6.0
143.01926	9.7
144.02649	2.9
145.03502	20.6
147.04356	3.2
155.01895	6.5
156.02689	9.9
157.03461	19.6
159.01396	4.4
159.05022	8.2
160.02179	4.2
161.02972	10.8
166.01094	2.3
167.01941	4.5
169.03526	6.0
171.01431	2.3
171.04984	5.0
173.02940	6.1
175.04582	6.5
179.01923	1.4
183.05035	4.7
184.02153	7.7
185.03021	12.2
187.00769	1.3
187.04538	6.3
189.02544	1.8
189.05983	1.4
197.02983	4.1
199.04538	9.2
201.02431	1.5
201.06046	1.9
202.03108	1.7
203.02220	1.2
203.04024	6.6
209.02983	1.6
211.04465	2.4
213.02496	2.6
217.02087	1.5
217.05600	8.8
221.02879	3.8
221.04977	2.6
229.05478	1.8
231.03493	3.2
235.06635	47.8
236.02858	1.2
236.06882	1.7
239.03554	1.9
245.05170	6.8
247.04584	2.2
253.07675	16.6
260.94977	1.1
265.05786	1.6
269.05255	1.2
275.02551	1.2
275.09708	8.2
277.07736	9.4
284.13483	1.3
287.05545	2.8
289.03934	1.7
295.08820	2.3
300.88486	1.0
301.04895	1.6
301.07990	2.5
303.09253	100.0
304.09335	3.4
305.07144	8.0
307.05362	3.4
321.10342	7.5
323.08047	1.2
329.07227	22.9
347.08246	19.7
349.07574	2.6
365.09204	4.1
366.09909	2.1
367.08374	1.8
373.06158	16.0
374.27496	1.1
391.07266	18.5
391.11795	2.0
409.08691	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	409.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39192	4.3
69.40019	30.5
70.99852	5.7
74.73071	3.7
82.99873	4.0
84.08746	3.8
100.33226	4.1
101.00899	34.9
113.00874	10.0
115.02439	8.7
119.01184	4.1
119.01908	27.1
127.02444	8.0
131.01906	12.8
133.03432	7.0
139.02406	6.1
141.03926	4.0
142.01120	6.8
143.01941	12.9
144.02696	5.6
145.03436	16.4
147.04419	4.5
155.01912	7.7
156.02658	11.6
157.03502	22.5
159.05043	9.0
161.02962	11.0
167.01964	5.9
169.03625	5.7
173.02943	5.4
175.04614	6.5
184.02191	8.4
185.02971	12.6
187.04538	7.8
199.04646	9.2
203.03979	6.3
217.05637	7.6
221.03079	5.3
235.04478	6.4
235.06657	47.8
253.07713	22.6
275.09689	7.0
277.07767	10.8
287.05640	6.5
303.09262	100.0
304.09665	4.5
305.07022	11.5
315.78943	3.9
321.10315	9.8
329.07117	24.8
347.08203	24.2
358.53757	3.9
365.09601	4.1
373.06116	13.8
391.07352	29.0
409.08722	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	408.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
60.05643	1.1
62.74973	0.5
67.63537	0.5
69.03419	0.7
69.95641	0.5
70.06592	2.0
70.81330	1.5
78.04683	0.8
78.43250	0.5
79.05488	0.6
79.81667	0.5
85.02892	2.9
88.03986	2.7
91.05484	1.9
93.07034	0.9
97.02877	0.7
103.05545	0.5
105.07025	0.8
107.05007	1.3
116.07081	0.8
121.06522	0.9
123.04427	3.4
124.05242	0.5
127.03875	0.5
127.31832	0.6
137.06046	0.5
145.04924	0.8
149.05988	2.6
152.04736	0.8
158.09267	1.4
161.05980	0.6
167.07054	100.0
168.07347	0.8
175.11920	3.2
181.08609	2.3
184.62952	0.6
193.08588	3.5
203.03433	0.6
211.09676	16.2
229.10760	11.0
233.12843	0.6
246.04951	0.9
257.04495	0.6
261.10684	0.9
287.05548	0.7
408.19199	4.5
430.02264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56866	3.0
55.05500	6.0
57.03425	3.1
61.02954	4.1
67.05502	14.8
69.03420	4.4
69.07063	8.8
70.06590	9.9
71.05003	3.2
71.50999	4.6
71.63604	2.3
72.08173	3.3
73.02905	2.8
79.05495	8.7
81.03446	3.4
81.07059	45.9
83.04993	5.4
83.08624	4.8
85.02920	16.2
85.06545	4.6
91.05482	15.1
93.07056	9.9
95.04965	2.5
95.08597	8.9
97.02918	5.7
97.06538	7.3
100.10950	2.5
105.07032	23.4
106.06570	11.2
107.08611	9.4
109.06524	3.0
116.07097	3.3
116.28583	3.3
119.08574	16.0
121.06511	3.5
121.10133	16.9
123.04457	5.3
123.11724	19.8
127.03867	2.8
127.07595	4.2
133.10118	3.3
139.03935	3.4
140.02658	2.6
147.11694	60.6
151.03792	3.4
162.09122	3.4
163.03922	2.5
165.12761	45.0
180.08653	3.4
183.13828	17.0
193.12308	9.3
209.77779	2.7
211.13339	7.3
213.89731	2.5
219.10262	3.4
229.14363	100.0
245.04539	3.5
275.12909	2.9
300.15958	4.0
305.19681	2.6
334.23999	4.5
346.16534	11.5
349.52597	2.6
408.28119	18.5
409.08859	4.8
409.16751	2.9
422.88031	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	1.3
61.62381	0.7
63.64155	0.8
69.03407	1.1
70.03299	2.7
70.06604	5.1
85.02916	4.5
88.03978	3.6
91.05475	3.0
93.07034	1.0
107.04972	1.0
112.08775	1.0
121.06496	1.2
123.04467	4.9
130.06187	0.8
149.05991	2.2
152.04593	0.9
158.09270	1.7
161.06024	0.9
161.61472	0.7
163.03944	0.8
166.06281	1.0
167.07050	100.0
168.07365	1.3
175.00914	0.7
175.11896	2.9
180.43791	0.8
181.08643	2.3
193.07118	0.8
193.08658	3.1
203.03456	1.2
211.09663	13.4
229.10773	9.2
234.07590	0.9
245.04457	1.4
257.04337	1.6
261.10681	1.1
287.05594	1.5
407.52151	0.9
408.18744	7.0
409.09103	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	408.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.93508	0.4
60.39206	0.5
63.15184	0.4
69.03432	1.3
70.06582	0.8
80.05018	0.7
80.55736	0.4
85.02903	1.9
91.05496	0.6
92.05014	6.8
93.28306	0.5
97.02915	0.5
98.21459	1.1
99.04427	0.7
108.04494	2.4
108.87653	0.4
109.02885	0.5
114.05586	0.8
123.04439	1.1
135.24379	0.5
136.03925	5.6
138.79753	0.5
147.04434	1.1
149.04514	0.6
154.05003	100.0
155.05376	0.9
166.07234	3.6
167.07042	1.9
175.03798	0.5
203.03436	0.6
280.08194	21.5
287.05365	1.1
298.09222	4.2
322.06448	0.5
343.61615	0.5
409.09354	0.7
415.81821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55164	0.5
51.02379	0.9
53.03944	1.6
55.01871	1.0
56.43132	0.5
57.03426	1.2
58.06642	0.5
60.50654	0.5
67.05470	0.5
69.03440	5.9
69.07098	0.5
70.06583	1.2
71.04974	0.8
73.02920	0.8
78.03460	15.6
79.65711	0.5
80.05015	3.2
81.03425	14.9
81.07065	1.0
84.04501	0.8
85.02917	7.0
86.09706	0.7
86.11028	0.5
91.05484	1.2
94.06532	0.5
95.04998	0.8
96.04506	6.1
97.02897	4.1
99.04471	1.9
103.05432	0.9
105.07064	0.7
106.02927	52.2
107.04982	0.5
109.02888	35.5
111.04459	1.7
115.05422	0.6
121.06505	1.2
123.04430	2.7
124.03962	100.0
125.04307	0.9
127.03930	6.9
138.05463	1.1
138.09172	0.6
139.03947	1.8
141.05475	12.0
145.04971	0.7
147.04428	0.9
151.03983	0.7
154.05013	1.0
161.06038	1.2
163.03961	0.9
166.05014	1.7
167.07065	1.0
177.05472	0.9
179.07079	0.6
193.04959	0.7
196.06084	0.9
203.03412	1.4
208.05914	0.8
226.07153	1.2
232.06042	2.0
235.16772	0.6
245.04524	2.3
246.04813	2.3
250.07126	23.9
257.04379	0.9
260.37421	0.6
268.08182	30.8
269.08768	0.7
271.06052	0.8
283.06161	1.3
287.05524	3.3
317.07916	0.7
346.22598	0.7
390.13876	0.6
408.08096	1.3
408.12906	8.6
409.09274	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	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.13052	2.5
53.03934	4.6
55.05518	17.0
57.07076	11.8
63.89942	2.0
65.03947	2.6
67.05513	27.8
69.06728	3.6
69.07076	48.4
71.08640	4.2
71.51215	2.1
79.05492	17.8
81.07066	81.3
83.08622	23.2
85.10177	2.6
89.06026	8.0
91.05480	10.2
93.07055	27.4
95.04939	2.6
95.08614	69.7
97.10188	10.0
100.66782	2.6
105.07044	29.1
107.08606	39.8
109.09475	3.3
109.10166	50.0
111.11728	4.9
113.00035	18.3
115.05470	2.4
117.07027	2.6
119.08598	30.9
121.10151	40.1
123.11700	23.4
129.07034	3.0
131.08540	12.0
133.08601	3.0
133.10155	22.1
135.11713	26.0
137.13249	9.9
141.10228	2.7
143.08578	7.8
145.10138	23.1
147.11684	28.7
149.13274	17.4
151.14920	3.5
155.08488	3.0
156.09344	2.4
157.10146	11.9
159.11720	27.1
161.13300	21.2
163.14789	10.1
169.02652	19.7
170.10742	2.2
171.11717	12.7
173.13269	21.2
175.14813	14.4
177.16420	6.5
181.10228	2.3
183.11748	6.4
185.13264	15.1
187.14789	18.0
189.16415	10.2
191.17923	3.0
197.13313	3.0
199.14859	9.0
201.16431	14.8
203.17947	7.5
213.16452	9.7
215.18001	10.9
217.19547	5.8
225.16426	3.2
227.17970	14.2
229.19576	14.8
239.17982	3.0
241.19547	5.6
243.21165	5.6
253.19441	5.2
255.21114	6.6
257.22699	5.9
269.22702	10.0
271.24323	3.9
281.22739	3.3
283.24167	8.1
295.24173	4.3
297.25873	6.5
297.65427	2.3
323.27301	5.0
325.28964	7.1
337.28979	5.4
365.31754	4.6
407.36758	100.0
408.36877	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03959	2.9
55.05519	13.5
57.07077	13.0
57.30064	2.4
63.67709	2.0
64.74603	2.4
67.05502	35.0
69.07076	26.3
71.05005	3.5
71.08642	8.8
71.51679	3.1
79.05492	11.4
81.07053	55.9
83.08632	11.2
85.10152	6.1
89.06039	2.8
89.29584	2.8
91.05497	9.8
93.07047	30.5
95.04993	13.1
95.08611	71.7
97.06533	2.1
97.10196	7.0
99.04474	5.9
105.07046	24.7
107.08600	35.8
109.10157	48.3
110.48073	2.4
111.11726	5.0
113.00017	30.6
113.05990	3.3
114.53366	2.3
117.07037	3.9
119.08591	28.0
121.10146	35.6
123.04433	14.4
123.11706	34.9
125.06025	6.8
125.13295	3.3
131.08600	7.0
133.08603	3.2
133.10139	25.2
135.11708	30.6
135.95509	2.5
137.11673	2.4
137.13284	19.0
141.05470	83.5
143.08548	4.0
145.10121	17.0
147.11687	30.0
149.13275	28.6
154.12392	2.3
157.10222	5.9
159.11662	16.8
160.12502	2.6
161.13287	20.5
163.14876	8.2
169.02655	24.6
171.11763	2.7
173.13310	9.7
175.14883	9.9
177.16360	17.0
185.13324	3.1
187.14885	9.1
189.16341	14.4
190.61841	2.7
191.18044	8.5
199.14842	4.3
201.16412	14.8
203.17984	33.6
205.19655	4.1
213.16478	8.5
215.17969	17.3
217.19603	9.8
227.18074	6.9
229.19531	15.1
231.21259	3.1
241.19574	4.3
243.21124	5.4
245.22577	4.2
254.67473	3.2
255.21144	6.8
257.22632	12.5
269.22681	13.4
271.24411	4.4
283.24173	13.3
285.25729	3.2
323.27310	3.9
347.33032	3.0
351.30453	3.2
389.34286	9.2
407.36578	100.0
408.36707	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	406.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03421	1.9
67.05487	1.2
68.05029	1.2
69.07059	1.3
69.35050	3.0
69.35474	1.7
70.06579	1.6
75.19279	0.6
78.51701	0.6
79.05488	2.0
80.88462	0.5
81.07048	2.4
83.08643	0.5
84.04504	3.0
85.02910	26.2
88.63789	0.5
91.05464	2.1
93.07043	6.0
95.04996	0.6
95.08598	2.5
96.08160	0.6
97.06514	1.4
102.05598	0.9
105.07023	2.3
107.07341	2.2
107.08599	3.6
108.08105	2.1
108.49154	0.6
113.02402	1.1
114.05502	1.5
118.06473	0.6
118.46793	0.6
119.08568	1.5
120.08059	1.8
121.10121	1.2
130.05046	1.1
131.03418	2.6
133.10091	1.2
134.09663	7.9
135.10451	1.0
135.11691	2.7
139.03865	1.5
142.04955	1.1
145.10175	0.5
146.09639	2.4
147.10425	2.0
148.11218	10.3
160.06064	0.7
160.11212	0.7
161.13313	1.3
162.12791	46.7
163.13344	1.1
173.13110	0.7
176.14372	3.7
177.15178	1.4
177.33530	0.7
178.15900	1.3
197.30891	0.6
204.17494	0.9
234.14890	0.7
237.09964	2.3
238.10938	0.7
250.10794	1.5
259.11136	0.9
264.12299	1.7
266.13885	1.3
274.14432	1.2
276.23230	9.7
278.13916	6.7
292.15436	61.5
293.15887	1.1
294.17047	2.2
308.18567	22.5
336.18091	2.3
350.14520	0.6
360.25388	1.4
388.24796	1.0
406.25897	100.0
407.26035	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04039	5.2
69.03416	4.5
70.27636	10.3
70.28027	15.9
85.02892	13.4
86.03233	7.9
87.00829	5.3
91.05486	6.6
97.02917	5.1
109.02894	12.4
110.03262	7.5
117.52953	4.9
119.04889	6.1
123.04436	93.1
127.03906	4.8
130.06577	7.9
135.04395	19.9
139.03940	10.3
142.05904	4.7
147.04442	19.3
149.02353	15.6
163.03908	23.0
165.01840	5.9
165.05444	7.0
166.05028	7.4
167.03415	11.9
167.07106	5.6
175.08600	6.0
177.01854	100.0
179.03383	4.9
189.01811	37.7
195.02911	44.4
207.02945	43.2
207.06520	7.0
238.03502	10.5
245.04425	27.8
255.06163	18.8
260.11514	6.4
311.05441	13.8
329.06644	26.3
347.07785	26.4
354.93558	4.9
361.06738	5.3
407.07520	18.0
407.15085	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	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26452	0.5
53.03943	0.7
55.05507	1.3
57.03442	5.3
57.07078	7.7
62.97606	0.5
67.05502	3.3
69.07066	1.9
69.76305	1.3
69.76694	1.8
71.08637	5.1
72.08159	1.0
78.09177	0.5
79.05499	1.2
79.88844	0.5
81.07053	3.9
83.08621	2.0
85.10194	2.5
89.06022	0.6
91.05448	0.6
93.07083	0.6
95.08620	5.4
97.10152	0.7
105.07014	0.6
107.08593	1.0
108.55404	0.5
109.10175	1.3
111.11706	0.5
113.00021	98.0
119.08635	0.9
123.11706	1.1
133.08696	0.6
137.13234	1.0
139.01590	0.7
147.11632	0.6
151.01558	0.7
154.02603	0.8
158.37059	0.6
169.02620	100.0
239.23708	0.7
390.28329	0.6
407.35855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2589
Annotation	Leuconine
Peak:m/z	Relative Intensity
55.05516	0.9
57.03442	1.3
66.12463	0.6
67.05496	1.7
69.07066	1.4
69.73724	0.5
70.06578	0.7
70.67206	1.9
79.05495	2.8
79.61013	0.5
81.07052	2.4
81.12901	0.5
84.04492	2.4
85.02909	27.2
85.97855	0.6
91.05473	1.7
93.07047	7.7
95.08582	1.2
99.82129	0.6
102.74482	0.5
105.07021	1.9
106.06576	0.5
107.07323	2.5
107.08601	2.9
108.08150	1.4
108.34171	0.6
109.10135	0.6
113.02349	0.7
114.05500	1.9
117.07005	0.7
118.16811	0.6
119.08591	2.1
120.08091	1.6
121.10138	0.7
122.09769	0.7
125.14421	0.6
131.03400	1.7
133.10156	0.9
134.09662	9.3
135.10437	0.7
135.11681	3.2
136.11263	0.8
136.34366	0.5
139.03906	2.0
142.04994	0.7
146.09677	3.2
147.10420	2.2
148.11215	9.0
149.13243	0.6
161.13275	0.9
162.12785	53.6
163.13271	0.8
176.14372	5.4
177.15105	2.4
178.15910	1.7
204.17511	0.7
220.10555	0.8
225.00571	0.6
227.01352	0.5
234.14925	0.7
237.10005	2.1
250.10857	1.4
260.13147	0.5
264.12384	1.4
266.13849	1.1
268.64258	0.5
274.14441	0.7
276.23236	8.6
278.13858	6.2
279.14148	0.6
292.15445	70.2
293.15808	1.9
294.17032	2.5
308.18588	24.1
309.19278	0.6
316.87613	0.6
336.18076	2.7
360.25461	0.7
406.25906	100.0
407.26227	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28112	0.9
55.01866	2.8
55.05505	1.3
56.05046	5.8
57.03447	5.1
58.99589	10.4
60.63105	0.9
65.84562	0.9
68.60320	0.9
70.75377	2.4
73.01138	1.6
74.00647	2.0
76.01839	1.3
76.02234	17.7
76.04010	2.1
79.05482	3.2
81.07067	18.6
83.06117	1.3
84.04513	21.7
85.01129	3.4
86.00648	2.9
86.99053	4.1
87.02713	4.6
88.02198	1.2
93.32837	0.8
95.04970	1.0
95.08597	3.4
97.01109	1.3
98.09700	11.7
99.08097	4.6
102.05531	3.9
110.09676	1.3
112.03971	3.1
113.04227	4.9
115.05802	1.3
116.01688	19.0
122.09618	1.6
123.08109	2.0
129.06558	2.7
130.05046	7.1
130.06857	2.7
130.08627	2.1
139.05766	2.0
142.03203	2.5
144.01146	7.6
145.06001	1.1
156.08444	18.5
156.10217	9.8
157.06851	9.8
162.02213	18.5
174.09506	14.2
179.04909	8.0
185.49181	1.1
187.05377	1.0
189.03391	0.9
210.11276	3.2
216.06895	6.4
233.05963	1.4
245.05922	1.2
259.11145	100.0
260.09286	2.1
277.12170	0.9
285.12772	1.5
291.06790	1.1
308.09128	1.4
313.12256	4.5
331.13269	6.7
388.15347	2.3
403.45071	0.9
406.16382	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.1
67.05492	3.3
69.03436	6.5
71.51437	5.0
79.05515	3.5
81.03435	3.3
81.07058	9.9
83.04988	17.3
83.08617	17.1
85.02891	9.9
88.33965	2.9
90.58504	3.0
93.07040	5.8
95.04985	8.4
95.08574	5.5
95.85658	3.3
97.02923	5.6
97.06530	9.6
105.07053	6.5
107.08604	11.3
109.06509	14.5
109.10170	13.2
119.08617	3.9
121.10163	7.8
123.11720	5.4
125.09627	5.4
126.57393	3.6
131.08563	4.3
133.10150	11.2
135.08060	7.9
145.02885	3.3
147.11697	7.0
149.13286	6.6
151.11198	19.2
153.09190	3.7
163.14890	3.2
167.07040	3.7
167.14349	25.7
168.07387	3.5
173.13266	10.0
181.12251	4.1
191.14290	15.7
209.15373	100.0
227.16438	12.0
259.11115	7.4
371.20419	4.5
380.54456	3.7
399.88208	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
55.05523	31.6
56.94854	5.9
57.03432	10.1
67.05502	10.4
69.03452	14.6
69.07059	8.0
69.50276	39.8
70.06590	22.6
71.05000	7.7
72.08160	6.1
76.02231	6.6
79.05521	7.1
80.04986	5.5
81.03435	14.3
81.07052	19.4
83.04977	21.1
83.08622	22.4
84.04511	15.9
84.08178	8.4
85.02917	10.8
91.05467	14.4
93.07038	16.0
95.04983	7.0
95.06082	16.1
95.08621	17.1
97.02896	8.2
97.06535	9.0
98.21516	12.2
105.07056	19.0
106.02905	6.3
107.08587	44.5
109.10157	15.2
116.01712	8.9
119.08617	9.7
121.10167	40.7
121.74623	5.7
123.04442	10.2
123.08111	7.4
123.11715	15.0
124.03967	21.8
124.04755	7.2
125.09665	9.7
133.10133	17.4
135.08101	7.3
135.11682	35.2
137.09608	9.6
139.96358	5.9
147.11694	17.0
149.09563	5.9
149.13245	15.7
151.11198	30.6
163.07497	8.6
163.14844	14.9
167.07071	19.4
167.14304	25.6
168.07375	6.5
173.13287	24.3
174.09526	7.0
191.06956	7.4
191.14337	39.8
192.07437	11.1
209.15359	100.0
211.14288	7.3
212.09024	13.3
226.10567	7.4
227.16496	49.2
239.08112	12.4
240.08493	19.9
244.44405	5.4
245.12877	7.0
246.13188	21.2
253.10004	7.6
254.10103	17.4
255.10889	6.3
258.09656	6.5
259.11072	31.6
267.07660	7.0
268.08096	17.1
272.11206	9.2
282.09473	12.0
290.12219	6.3
300.10577	30.2
310.09116	27.3
328.10147	60.3
330.11633	5.8
344.26736	8.1
346.11206	81.3
356.09711	13.3
362.27969	19.1
374.10684	80.3
388.12442	10.4
406.13306	12.7
406.26520	11.6
406.30997	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3726
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03927	1.2
55.05521	6.4
57.07084	8.1
67.05507	2.2
67.57108	1.0
69.03442	1.3
69.07066	11.9
71.08633	6.3
71.08952	1.1
71.51738	1.7
78.80538	1.2
79.05476	1.3
79.73071	1.0
81.07046	2.9
83.01345	9.1
83.08620	5.4
84.63934	1.1
85.10159	2.4
89.35355	0.9
93.07042	2.1
95.08610	4.3
97.06548	3.1
97.10167	4.2
99.17788	1.0
104.32926	1.0
107.08575	2.5
109.06508	1.2
109.10162	1.9
109.50099	0.9
111.08097	2.5
111.11713	1.6
113.00005	1.9
113.12746	1.1
121.06535	2.5
121.10139	1.7
123.08057	2.5
125.05996	3.1
125.08839	1.1
125.09619	6.0
127.07538	2.0
132.37340	1.2
135.11765	1.8
137.09619	3.5
139.07541	35.5
139.11195	2.7
140.07935	1.1
144.34972	1.2
151.11154	2.7
153.09062	5.3
153.12746	2.6
153.48178	1.1
167.10669	5.3
169.02597	2.0
177.12718	1.3
181.12193	7.6
186.51546	1.2
192.38011	1.1
195.13823	7.8
209.15369	5.7
223.16930	4.5
237.18440	2.6
251.19972	1.5
265.21582	1.4
349.31198	1.3
395.34753	1.1
405.37292	100.0
406.37653	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.3
53.29564	3.2
55.01862	10.0
55.05532	3.2
56.05033	5.1
57.03430	7.5
58.99582	6.2
60.04483	2.8
61.02913	8.5
69.03435	31.5
70.06587	5.8
71.04996	7.2
71.50164	3.6
72.43057	3.8
73.02901	10.2
76.02223	10.0
81.03427	39.1
81.07055	8.8
84.04493	13.1
85.02912	100.0
86.98988	3.1
87.00842	37.9
95.05027	4.2
97.02905	41.1
98.09661	6.9
99.04457	19.5
103.03947	8.8
104.94848	2.8
105.01868	37.6
108.04469	6.7
109.02894	84.7
113.04224	4.5
116.01679	11.1
123.04429	8.1
126.05524	4.1
127.03929	69.1
129.01839	6.3
130.05037	5.3
130.06952	4.6
130.08649	3.7
131.08578	2.8
133.02853	6.3
141.05470	26.8
145.04987	35.8
147.02921	4.9
151.03871	4.2
152.07115	2.9
153.01825	6.6
153.27829	3.1
156.08420	8.4
156.10197	5.2
159.02924	25.7
162.02180	11.5
165.05484	16.8
174.09520	7.2
177.05475	5.3
179.04771	5.1
189.03865	8.5
203.06998	4.3
207.06522	14.9
209.11664	4.7
231.04800	7.2
231.06778	6.7
245.04465	6.3
248.07567	4.9
249.07584	12.7
259.08578	3.9
259.11133	50.0
300.66165	3.1
347.07272	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	405.1912
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
52.42102	0.4
53.03937	0.6
55.01873	0.6
57.03431	0.9
65.03933	0.6
66.04307	0.4
68.56487	0.3
69.46729	0.9
69.47122	2.5
77.03928	0.5
77.35345	0.3
78.04711	4.7
78.36047	0.4
79.05495	5.5
81.07046	1.1
90.75214	0.4
91.04981	0.5
91.05495	6.7
93.03400	0.4
93.07048	0.7
94.04191	0.9
95.04964	1.9
96.05793	0.6
103.05470	7.1
104.06303	0.4
105.03405	0.5
105.04514	0.6
105.07034	7.5
106.04198	2.7
107.04963	8.7
109.06500	1.3
111.04457	0.4
115.05479	2.8
117.07030	1.8
118.04172	0.5
119.04964	3.4
120.02015	0.4
121.06490	3.6
122.03634	1.2
123.04431	9.6
123.08068	0.5
124.05247	3.9
125.06027	0.7
128.06212	0.9
129.07011	2.5
131.04945	7.7
131.08536	0.8
132.05701	1.0
133.06500	7.0
134.03610	0.9
135.04443	0.7
135.08072	2.1
136.05225	1.1
137.05986	12.9
139.03932	0.8
139.07581	0.4
141.06992	0.9
143.04919	1.1
143.06021	0.6
144.05748	1.3
145.06491	2.6
147.04410	2.5
147.08038	0.6
149.05983	2.8
150.06691	0.5
151.03970	1.8
151.07550	13.5
152.04680	2.6
152.06342	0.4
153.05417	0.6
155.06059	0.5
156.05704	0.4
157.06490	1.6
158.07268	0.9
159.08090	0.6
160.05196	0.7
161.05995	8.0
162.06720	0.6
163.03951	0.5
163.07559	16.7
165.05458	1.0
165.07010	1.3
165.09109	0.9
167.07053	100.0
168.07397	1.5
169.06480	0.6
172.05180	0.5
173.06017	1.1
173.09615	0.4
174.06726	0.8
175.07516	2.4
177.07005	0.5
177.09106	2.1
178.06345	0.5
178.07872	0.6
179.07076	2.1
181.08604	3.9
187.07520	2.4
189.09129	4.7
191.07043	1.5
192.07738	0.4
193.06812	0.8
193.08612	18.2
193.10065	0.8
194.07324	0.7
194.08966	0.4
195.08107	2.0
195.10046	0.7
197.09650	0.6
201.09146	1.3
203.08643	1.0
205.08630	1.4
207.10182	1.3
210.06818	1.0
211.07515	0.6
217.08563	1.0
219.08194	0.6
219.10181	2.1
220.08727	0.6
221.06049	1.6
221.09630	1.8
223.07503	1.3
225.09149	1.5
227.10666	2.7
229.08867	0.4
231.07967	1.0
233.11720	0.9
235.09619	0.8
237.09105	0.6
237.11322	1.1
238.06223	0.5
239.07076	0.6
239.10756	0.5
240.07880	0.6
241.08606	0.6
249.09158	0.7
253.08611	2.0
253.12257	1.3
255.10188	4.0
263.10797	0.8
265.08673	0.4
267.10129	0.7
267.23459	0.5
269.08072	0.6
269.11710	0.5
271.09683	0.6
272.10611	0.7
280.10950	0.5
281.11734	0.9
285.11115	2.6
286.11917	0.7
287.12802	4.3
291.10284	0.8
295.13184	0.5
298.11981	0.5
305.11649	0.3
309.39877	0.4
313.14337	2.6
316.12958	0.8
320.60028	0.4
323.12750	2.7
330.14670	4.1
331.15433	1.2
343.11786	0.5
345.10724	0.6
355.15469	2.8
372.15576	0.6
387.18109	1.0
405.19843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.191
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
51.17402	0.4
53.03939	1.0
53.95003	0.4
55.01849	0.9
57.02120	0.4
65.03918	0.8
66.04735	0.4
67.05495	0.7
69.03438	0.5
69.17451	1.8
69.17880	2.3
70.06577	0.6
77.03947	0.4
78.04711	4.4
79.05497	4.7
81.03397	0.5
81.07050	1.8
82.51261	0.4
91.05480	3.5
93.07030	1.1
94.04205	0.5
95.04964	1.3
95.08598	0.4
97.55882	0.4
103.05481	7.4
105.03395	0.8
105.07036	8.4
106.04171	2.7
107.04958	10.0
107.08602	0.4
109.02889	0.7
109.06493	0.9
111.04449	0.7
115.05450	3.0
117.07006	1.6
117.92657	0.4
119.04938	0.8
119.08566	0.8
121.02926	0.5
121.06507	1.9
122.03648	0.7
123.04431	12.3
123.08107	0.6
124.05242	3.8
124.65611	0.4
125.05970	0.5
129.07005	0.5
131.04945	7.4
131.08582	0.7
132.05769	0.7
133.06496	7.3
134.03690	0.5
135.04437	0.6
135.08070	2.2
137.05974	4.5
139.03906	13.2
139.04918	0.9
141.06969	1.1
143.04900	0.7
143.08603	0.5
144.05711	0.9
145.06522	2.4
147.04439	2.6
147.08018	0.6
149.05992	1.4
151.03905	1.9
151.07535	4.2
152.04684	2.9
153.05463	0.9
154.33894	0.4
157.06543	0.8
158.07317	0.8
159.08044	1.4
160.05205	1.0
161.06001	8.9
163.03935	5.2
163.07542	15.9
165.05518	0.6
165.09113	1.3
166.06149	0.6
167.07047	100.0
168.07387	1.4
169.06433	0.5
172.05174	0.5
173.05989	1.8
174.06729	0.6
175.07532	2.4
177.09096	2.0
179.07076	2.0
181.05025	0.6
181.06462	0.3
181.07004	0.6
181.08600	5.8
187.07608	2.7
189.09116	1.3
191.06990	0.7
192.07780	0.7
193.08621	18.7
194.09048	0.6
195.10281	0.6
201.09131	1.1
203.08548	0.9
205.08621	1.7
207.10181	0.6
213.09950	0.5
217.08665	0.7
219.10155	2.7
223.38541	0.5
231.08076	0.8
233.11713	1.2
237.11249	1.2
263.10632	1.0
291.10114	1.2
295.13275	0.5
323.12817	2.6
327.09497	0.4
343.11520	0.5
344.22092	0.6
350.85434	0.5
355.15384	3.8
373.10730	0.7
373.15463	1.0
387.18121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05567	2.8
55.05510	7.0
60.24903	2.9
67.05523	3.5
69.07106	3.7
69.48555	23.7
81.03391	3.0
81.07059	3.1
83.08617	3.8
84.04490	3.1
85.02935	3.3
91.05457	3.6
95.08658	3.1
97.06503	5.6
100.11271	16.3
102.06966	3.1
109.02871	3.0
111.04444	4.5
117.56567	3.2
121.06546	8.1
122.76132	3.4
123.04446	18.6
124.04778	4.4
133.06502	3.2
137.73088	3.3
139.02823	5.0
139.03911	100.0
149.02330	2.9
149.24068	2.9
161.06035	8.1
163.03955	15.4
167.03368	7.8
167.07063	6.1
182.15433	5.1
189.05484	6.0
210.14844	5.9
219.10271	15.7
233.07997	4.4
234.08405	4.9
234.87065	3.3
275.22089	3.6
351.12280	9.7
369.13092	3.4
371.32111	2.9
386.13245	4.2
404.25055	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	404.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23931	2.2
55.05513	7.7
59.11155	2.4
67.05524	2.4
71.51250	2.7
79.05509	4.2
81.07053	4.6
84.04489	2.5
85.02898	4.0
85.06657	2.0
97.06564	4.4
105.07073	2.9
107.04981	4.9
111.04459	4.3
116.10760	2.7
121.02917	4.2
121.06510	5.2
123.04417	14.4
124.04816	4.1
135.04443	5.2
137.05995	4.5
138.75685	2.9
139.03912	100.0
140.04192	2.3
147.04410	2.6
148.11166	3.3
149.02362	2.4
151.03929	4.6
153.05502	4.8
155.08557	3.7
156.15689	2.9
161.05978	5.5
161.83012	2.4
163.03908	37.1
163.07506	2.5
165.05478	12.4
167.03430	19.1
167.07095	5.0
177.05475	4.9
185.09615	2.8
189.05597	2.5
201.09111	9.7
219.10172	70.6
224.16550	2.9
233.08093	4.3
234.08418	4.1
249.11145	3.9
278.13907	2.5
369.13425	4.6
386.13190	7.1
404.24509	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	404.1705
Annotation	(+)-3-O-(3-Hydroxybutyryl)tazettinol
Peak:m/z	Relative Intensity
53.03938	1.0
56.75518	0.7
57.03450	0.8
67.05517	1.2
67.72359	0.7
68.99815	1.1
69.03448	1.2
69.68848	2.7
69.69258	1.2
70.06597	100.0
71.06945	0.8
79.05491	0.9
81.03438	0.9
81.07072	1.3
82.01410	0.8
85.02929	0.9
86.09699	0.9
91.05460	1.6
93.07073	1.7
96.04525	0.7
97.02982	0.9
98.21526	0.8
105.01889	0.6
107.04985	1.4
114.09212	1.8
114.17449	0.7
119.04972	2.8
121.06543	3.0
121.10113	1.0
123.04436	33.1
125.06007	2.5
135.04428	1.3
137.02370	2.1
137.06079	0.8
138.09167	1.5
139.03882	3.5
147.04425	9.0
149.05984	4.2
151.03934	4.2
151.07593	0.8
156.10214	5.3
161.06004	1.5
163.03976	1.5
165.05495	5.5
167.07114	0.8
175.07599	2.6
177.05481	52.8
178.05923	0.8
179.07071	3.3
189.05498	1.3
193.08685	1.4
207.06517	1.6
221.08086	15.4
221.10104	0.9
234.11259	8.2
251.09291	0.6
252.12245	1.6
256.90460	0.7
271.03775	0.7
329.10214	10.2
373.13052	0.8
386.16025	49.1
387.16531	1.8
404.09766	0.7
404.17111	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	404.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72601	0.6
58.06595	1.1
60.64079	0.7
61.08976	0.7
65.12505	0.7
67.05522	0.9
68.99785	1.0
69.03446	1.7
70.06597	100.0
70.56168	1.7
70.56509	1.0
71.06939	0.9
79.05495	2.0
81.03436	1.1
81.07055	0.7
82.06608	0.7
85.02914	1.0
91.05502	2.1
93.07076	2.7
93.75485	0.7
95.04993	1.4
97.05340	0.7
97.06563	1.1
97.76191	0.7
107.04955	1.2
110.06052	1.1
114.09183	2.3
119.04983	2.5
121.06554	2.3
123.04440	37.8
125.05991	1.8
126.09266	0.9
127.03865	0.8
135.04457	1.4
137.06018	0.9
138.09163	3.6
139.03952	3.1
147.04424	10.0
149.05994	4.6
151.03929	5.0
151.07521	0.8
156.10208	12.2
159.04599	0.9
161.06055	2.0
162.06390	0.7
163.03972	1.2
165.05466	3.5
175.07654	2.4
177.05482	57.8
178.05832	0.9
179.07126	2.8
189.05569	0.9
191.07114	1.1
193.08524	1.3
194.97198	0.8
207.06602	2.6
221.08101	20.2
221.10121	1.4
229.27457	0.8
234.11243	8.5
251.09206	1.1
252.12456	1.5
255.38771	0.7
278.75500	0.8
311.09402	1.2
329.10193	10.6
355.12048	1.0
373.12988	0.8
386.16013	59.4
387.16364	1.9
404.17145	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
56.96552	1.5
57.03436	4.2
58.87735	1.2
59.63123	1.4
61.02925	4.4
65.01122	1.5
65.03950	2.5
65.61835	1.5
69.03432	18.2
71.50457	1.4
72.40657	1.3
73.02903	1.6
79.05480	1.9
81.03423	4.9
84.08133	2.2
85.02912	21.3
87.04459	8.1
92.05023	5.0
96.04495	2.0
97.02916	11.8
106.02924	4.4
106.06575	14.2
109.02882	2.2
109.05268	5.3
110.06049	100.0
115.03946	5.8
120.04494	1.3
122.06011	6.6
124.03955	17.6
127.03918	3.9
133.04971	8.7
134.06033	20.8
138.05443	1.4
145.05013	3.4
147.04527	1.9
152.07079	30.2
159.23773	1.3
163.03946	1.7
163.06056	1.4
176.07050	3.0
177.05489	2.6
206.08122	1.7
236.09244	2.3
242.10240	13.4
250.07211	3.2
254.10349	3.3
268.08310	6.7
272.11328	10.1
363.00165	1.5
404.15564	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	404.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17108	1.1
55.93522	1.4
56.05032	1.4
56.96552	1.6
57.03439	1.3
58.99590	19.2
67.05505	3.4
69.03428	2.9
69.07078	5.3
69.25598	1.1
70.70706	3.7
72.08170	2.4
73.97504	1.1
76.02231	100.0
76.03997	3.3
79.05480	10.6
80.05009	2.2
83.67928	1.3
84.04507	33.4
85.02917	2.1
86.99055	2.6
88.02192	2.5
91.43791	1.5
97.02887	1.6
97.06535	95.0
98.97565	1.3
116.01691	26.1
128.09653	1.2
130.05002	22.5
130.44516	1.3
134.09641	2.0
135.09990	1.9
140.39043	1.3
142.03249	9.7
144.01166	12.3
147.04485	1.4
162.02213	50.4
163.03886	2.9
170.02684	2.8
179.04868	75.9
182.34566	1.1
187.05367	2.8
197.12801	1.5
198.13188	2.6
215.04839	3.8
233.05920	20.9
245.05861	4.1
290.07993	2.2
291.06415	2.9
308.09082	27.0
404.15417	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	403.1391
Annotation	Entonaemin A
Peak:m/z	Relative Intensity
53.03954	0.9
55.01873	1.0
55.05508	1.1
57.03427	0.4
59.05012	0.5
65.03956	2.5
65.04234	0.4
67.05512	7.7
68.99794	1.6
69.03431	0.7
69.07073	0.5
71.04998	5.4
71.33427	0.7
79.05493	1.6
81.07072	1.3
83.04984	0.6
83.08582	0.5
85.02914	0.6
85.06571	0.7
91.05477	0.8
93.03410	1.2
93.07044	0.6
95.04983	11.9
95.08627	0.7
97.02911	0.4
97.06534	1.7
97.10173	0.4
98.26253	0.4
103.05450	0.4
105.07030	0.7
107.04957	1.1
107.08557	0.5
111.04460	4.0
113.06020	15.4
119.04993	0.8
121.06552	0.7
123.04444	25.4
125.09633	0.4
127.03903	1.3
131.04959	0.5
131.08574	0.5
133.06519	0.9
135.04404	1.0
139.03917	100.0
140.04274	1.1
144.05748	0.5
145.06483	0.7
147.04413	2.2
147.08093	0.7
149.02301	0.5
151.03970	0.9
153.05466	1.3
155.03394	0.5
159.08130	0.6
160.05305	0.4
161.06000	4.2
161.09578	0.8
163.03940	5.5
165.05511	0.5
167.07080	1.3
171.08067	0.6
175.03911	1.1
175.07565	5.0
177.05510	1.0
179.03387	0.4
181.04984	1.7
187.07492	0.4
189.05431	0.5
189.09129	2.3
189.10962	0.5
199.07533	0.8
201.09094	0.8
205.08638	1.3
211.75081	0.4
215.07047	0.6
217.05153	0.5
217.08614	9.4
218.09038	0.4
219.10153	0.6
231.10170	0.9
235.09673	26.2
241.08633	0.7
247.09663	0.8
259.09650	4.3
277.10843	1.0
301.06906	0.7
343.11707	2.1
357.12463	0.6
367.22498	0.5
370.94772	0.4
385.12796	5.1
385.23886	0.5
403.13824	1.2
403.25134	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	403.1391
Annotation	Entonaemin A
Peak:m/z	Relative Intensity
53.03917	0.4
55.01867	1.9
55.05509	0.7
57.03426	1.1
57.07062	0.6
65.03940	1.7
67.05508	6.4
68.99783	1.2
69.03432	0.9
70.06599	1.0
70.12279	1.4
71.04990	2.3
79.05484	1.2
81.07048	1.4
83.04977	1.2
84.08144	0.4
85.02922	1.1
85.06538	3.6
87.08099	0.7
91.05482	2.0
93.03418	1.2
93.07029	0.8
95.04970	5.7
95.08608	0.7
97.02889	1.0
97.06559	0.8
99.04472	0.7
103.05490	0.4
105.07043	1.1
107.04948	1.3
107.08575	0.7
111.04434	4.3
113.06002	8.0
119.04947	0.7
121.02904	0.8
121.06543	0.5
122.03603	0.5
123.04431	10.2
125.82074	0.5
127.03931	1.1
131.04875	0.6
133.06490	1.2
135.04443	1.1
137.05951	0.6
139.03905	100.0
140.04219	1.0
142.07762	0.5
147.04442	2.3
148.11200	0.7
149.05988	0.8
149.07353	0.5
151.03920	1.8
153.05489	1.5
161.05991	5.1
163.03912	5.4
165.05449	0.9
167.07024	2.3
171.08046	1.0
175.03865	0.9
175.07535	5.0
177.05502	1.0
181.04987	2.1
189.05460	0.8
189.09109	3.4
191.07224	0.5
192.53366	0.5
203.07033	0.6
205.08604	1.3
213.10355	0.9
217.05203	1.0
217.08569	8.5
231.10214	1.2
235.09657	44.0
236.10045	0.8
241.09755	1.7
249.11250	0.9
251.54073	0.5
255.06638	1.4
255.11411	1.9
259.09671	3.9
269.09045	0.7
270.09830	0.7
273.11420	0.6
274.21646	0.8
277.10748	1.3
283.10843	2.0
301.07053	0.9
301.10754	0.6
301.14465	0.9
311.10168	1.0
325.10736	0.6
343.12698	6.0
367.11707	0.9
371.12433	3.7
385.12695	3.2
403.13269	0.8
403.17770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.139
Annotation	Entonaemin A
Peak:m/z	Relative Intensity
53.03946	1.5
55.01860	2.1
57.03428	2.1
58.04205	1.9
63.29709	0.8
65.03938	1.0
67.05486	2.0
69.03425	1.3
69.85855	4.4
71.04960	1.2
73.02918	4.2
77.03924	1.6
79.05479	2.4
80.05510	2.4
81.03407	1.1
81.07043	1.7
83.04948	1.1
83.48089	0.9
85.02892	1.1
89.06039	6.5
89.26762	0.9
91.05488	6.2
91.50929	0.8
93.07040	1.7
95.04980	6.3
95.08608	2.2
102.06787	0.9
102.24413	0.9
103.05553	0.9
105.03386	1.6
105.07032	2.0
107.04948	3.5
107.08592	1.7
109.02894	1.0
109.06540	8.2
111.04474	1.0
117.06981	1.0
119.04948	10.9
119.08553	1.1
121.06451	1.7
123.04433	100.0
123.08022	1.6
130.05002	1.1
131.04890	1.3
131.08598	1.4
133.08591	3.2
135.04390	4.2
135.08043	3.8
137.02364	1.1
137.06001	6.2
139.03894	5.2
141.07042	1.3
143.04933	1.8
147.04417	31.0
149.05988	2.1
149.09630	1.0
151.03915	5.7
151.07570	1.4
155.07002	1.1
157.06456	1.1
159.04451	1.3
161.06010	6.8
163.03902	3.1
163.07541	8.1
165.05493	21.3
167.07040	1.8
173.05940	1.0
175.03917	1.1
175.07448	1.3
176.04697	4.2
177.05447	3.5
177.09105	2.5
177.11256	1.1
178.20392	1.0
179.07043	4.0
179.22250	0.8
187.07593	2.6
189.05498	6.9
190.06096	1.2
191.07016	4.8
201.05591	1.0
202.15933	2.0
203.07031	2.1
205.08595	13.3
207.06519	2.7
215.07007	4.7
217.08611	6.6
219.06635	1.4
221.08118	1.5
227.06990	1.7
233.08098	55.5
234.08333	0.9
235.09686	1.4
245.08173	6.0
254.44289	0.9
255.06563	2.9
263.09183	2.8
274.21686	5.0
281.08188	1.1
309.07492	1.2
325.10690	1.6
339.12131	1.3
341.10165	2.3
353.10217	1.2
367.11740	9.6
385.12848	33.2
403.13754	1.8
403.25946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.043
Annotation	Roflumilast
Peak:m/z	Relative Intensity
52.77396	13.0
58.52733	13.0
61.77410	11.9
67.14842	14.6
93.16801	13.5
97.75328	13.1
130.14754	13.4
133.76367	12.3
134.97127	11.8
139.05107	14.0
146.80701	13.7
241.11884	22.6
257.00589	38.2
327.62729	13.5
355.72537	15.3
403.04361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.139
Annotation	Rubiginosin B
Peak:m/z	Relative Intensity
51.02363	0.7
53.03948	1.1
55.01874	2.6
55.05516	0.8
57.03426	1.6
63.44485	0.4
65.03934	0.6
67.05496	2.2
68.99797	1.1
69.03436	1.1
70.06595	1.3
71.51369	0.6
76.84452	0.5
77.03938	1.3
79.05502	3.1
81.03419	1.8
81.07066	3.0
83.05000	2.4
85.02898	1.4
87.08096	0.6
91.05468	5.6
93.07052	2.3
95.04981	6.1
95.08595	1.7
97.02915	0.6
97.06535	1.1
103.05519	0.9
105.03384	1.3
105.04522	0.6
105.07046	3.0
107.04958	4.2
107.08596	1.2
109.02895	0.7
109.06522	6.9
109.10143	0.8
111.04480	1.5
115.05474	1.6
117.07018	1.7
119.04951	8.4
119.08581	1.2
121.06508	1.7
123.04439	100.0
124.04752	1.2
125.06039	0.8
128.06190	0.6
129.01875	0.5
131.04951	1.4
131.08600	1.4
133.06482	2.2
135.04427	4.1
135.08089	4.1
137.02370	0.9
137.05984	5.9
139.03914	8.3
141.07039	0.9
143.04959	1.1
145.06494	1.0
147.04419	28.4
147.08092	0.6
149.06033	2.6
149.09610	1.0
151.03929	5.1
151.07593	1.8
155.07080	1.3
159.08096	1.0
161.06017	5.6
163.03931	4.7
163.07539	7.4
165.05490	20.5
165.09149	1.0
167.07042	1.3
173.05957	0.8
175.03911	1.2
175.07545	1.0
176.04698	3.5
177.05457	3.8
177.09111	2.5
179.07060	4.8
181.04979	1.3
185.05855	0.5
187.04030	0.7
187.07576	1.9
189.05505	7.4
189.09189	1.2
190.06310	0.6
191.07005	4.0
193.08647	2.0
197.05992	0.9
201.05421	1.0
201.09085	0.6
203.03534	0.6
203.07057	1.9
205.04922	0.6
205.08604	9.1
205.10318	0.6
207.06580	3.5
215.07063	4.3
217.08636	6.2
219.06497	1.1
221.08151	1.5
227.06989	0.7
229.08601	0.7
231.06618	0.6
233.04437	1.4
233.08105	51.2
234.08467	1.0
235.09633	0.8
243.06435	0.6
245.08090	7.5
251.09175	0.8
262.35150	0.5
263.09048	3.7
278.10056	0.6
291.08551	0.8
327.08862	0.8
330.03223	0.5
333.73425	0.5
339.12381	0.9
341.10278	2.5
349.10843	0.6
357.13037	0.7
359.14804	0.6
367.11725	10.0
371.15067	2.5
385.12863	20.7
403.14169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.64946	0.8
55.05504	2.3
57.07076	2.7
57.76410	0.6
69.03433	2.4
69.07076	6.6
71.08624	1.7
71.15634	1.4
79.05509	4.2
80.06289	1.1
81.07053	6.5
83.08630	4.1
91.05493	1.5
95.04948	2.2
97.10188	2.3
105.07037	0.9
107.04967	4.1
108.05733	9.7
109.06530	9.5
110.07298	1.7
111.11728	1.1
121.06503	11.7
123.04443	4.2
124.05217	1.9
129.63705	0.7
131.08548	1.7
135.08093	1.6
136.05206	23.7
137.05984	79.5
138.06775	28.6
148.05270	0.7
149.06001	3.2
149.09639	5.8
150.06784	11.3
151.07539	1.2
159.08081	2.4
162.06804	0.9
163.07594	6.0
166.18457	0.8
177.09120	54.0
178.09705	0.8
191.10696	2.5
192.11526	1.1
201.12938	0.7
277.52057	0.6
402.34943	100.0
403.35312	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.8
55.05511	45.1
56.05031	11.7
57.03453	13.4
67.05513	73.4
69.07085	62.2
69.21171	100.0
70.06577	10.6
71.04996	12.5
79.05499	65.7
81.07055	66.9
82.02817	10.4
83.08609	25.0
84.70541	10.1
85.02905	13.7
91.05486	49.7
93.07049	60.3
95.08605	29.8
97.02898	14.4
97.06535	13.0
97.09184	11.8
97.10183	33.3
98.21545	20.8
100.54968	12.2
105.07041	48.4
107.04992	12.1
107.08593	48.5
109.10149	15.2
119.08588	25.5
121.06490	12.3
121.10120	21.6
125.09648	15.8
131.08572	18.1
133.10139	17.0
135.11742	16.9
138.12791	11.4
145.10150	25.3
159.11650	13.9
171.10204	12.3
189.11191	22.3
227.12794	20.1
247.20418	13.8
255.15820	18.3
269.17471	44.6
275.20053	36.7
286.20215	42.6
349.23724	27.2
384.27298	15.3
411.55042	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01267	8.8
52.51386	8.5
55.01860	18.0
55.05512	84.3
56.05031	10.2
56.48000	9.3
57.03442	11.7
57.07079	11.6
60.23459	9.8
62.41214	10.4
67.05506	91.5
67.13074	11.2
67.90690	9.3
69.07064	100.0
69.17405	8.9
70.06594	13.8
79.05502	56.8
81.07067	87.0
83.08602	40.9
86.89603	8.8
91.05482	60.8
93.07050	75.5
95.08585	41.8
97.06497	13.1
97.10168	77.9
105.07030	39.2
107.08622	50.0
109.06516	12.8
109.10195	22.8
117.07022	18.9
117.22191	9.3
119.08590	27.7
121.06464	21.0
121.10147	25.9
125.09623	31.5
125.53982	9.7
131.08546	23.2
133.10158	19.0
138.12804	13.9
145.10136	31.0
147.11681	33.3
159.11678	15.6
161.13249	11.2
171.11626	12.6
175.96274	11.9
189.11223	29.0
194.15381	12.6
227.12822	29.4
245.13954	22.7
264.92731	9.4
268.19000	29.4
269.17419	15.7
275.20026	39.5
285.63293	11.6
286.20221	63.8
349.23639	36.6
366.26410	33.5
384.27341	19.9
403.24716	14.8
419.71960	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01867	7.8
55.05507	9.8
56.14571	3.6
57.03434	3.9
59.14440	3.0
61.02923	4.6
67.05500	13.4
68.99799	9.5
69.03443	29.4
69.07079	28.0
70.06595	13.2
71.04980	15.4
71.50364	2.9
71.50733	4.0
72.08166	4.5
79.05493	12.4
80.38493	3.0
81.03424	19.9
81.07060	34.8
83.04986	6.6
83.08633	7.3
85.02913	31.4
86.09725	7.9
87.00844	21.6
91.05481	15.2
92.24538	3.7
93.07052	16.4
95.04959	9.8
95.08597	13.2
97.02888	20.6
97.06537	8.8
99.04451	5.6
99.08092	6.0
105.01856	6.1
105.07048	20.4
107.04947	10.0
107.08604	18.3
109.02897	16.9
109.06540	36.3
109.10176	16.8
111.04440	8.2
115.03941	7.6
117.07047	11.3
119.08582	20.1
121.04130	3.2
121.06525	18.7
121.10172	9.3
123.04443	15.6
123.08055	8.2
123.11704	10.3
127.03914	21.3
128.06223	5.1
129.01892	6.1
129.07051	4.8
131.05020	3.7
131.08572	15.0
133.06459	6.0
133.10158	5.9
135.11723	7.1
137.05956	4.4
137.09595	8.2
137.13232	5.3
139.03914	100.0
143.08601	5.0
145.10143	14.6
147.02818	4.0
147.07980	10.1
147.11703	7.7
149.09642	7.1
151.03911	8.1
151.11163	10.4
153.12701	10.0
157.10130	4.1
159.02896	4.5
159.08026	6.4
159.11687	4.2
161.05945	3.7
163.03961	8.1
163.07668	4.0
163.11250	7.2
165.12738	11.0
167.07047	7.6
173.09607	16.7
173.13379	4.3
175.07553	4.2
175.11092	4.2
177.05510	4.9
177.12791	10.0
179.14333	4.4
181.04977	7.9
185.09550	3.8
187.07472	4.5
187.11159	3.3
189.03983	6.7
189.09195	4.0
189.12831	4.0
191.10712	4.8
193.12241	3.7
195.13843	10.8
201.03928	4.6
201.47507	3.6
203.10683	8.4
205.08652	4.4
207.13826	3.8
215.14381	5.4
217.08615	6.2
219.08154	4.4
219.10173	4.5
219.13800	7.2
220.04544	3.6
221.08110	4.4
225.09242	3.7
225.12837	3.4
237.15013	3.8
243.13815	15.6
261.14822	13.3
279.15887	4.3
299.16971	3.7
330.10919	7.8
337.10669	5.1
347.14801	4.4
383.15118	14.7
383.30560	4.7
401.17993	7.9
401.23428	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	401.1598
Annotation	Kenusanone E
Peak:m/z	Relative Intensity
53.00301	1.2
53.03941	2.5
55.01860	4.4
55.05500	2.0
56.81972	0.9
57.03441	2.8
59.87710	0.9
65.03928	2.6
65.59573	1.0
67.05511	7.7
68.99789	3.9
69.03417	1.9
69.07079	6.8
70.06586	1.2
71.04974	2.1
71.08631	2.8
79.05070	1.5
79.05495	18.7
81.07046	7.2
83.04986	3.2
83.08600	1.2
85.02904	2.0
91.05476	4.0
93.03428	2.1
93.07064	3.1
95.04977	9.4
95.08605	5.1
97.02897	5.1
97.05927	1.8
97.06533	26.9
99.04507	1.3
102.92807	0.9
105.03387	1.3
105.07047	4.6
107.04980	3.3
107.08608	2.5
109.02871	1.1
109.06503	1.9
109.10142	1.9
111.04441	6.6
111.08104	1.4
115.05457	1.3
117.07031	1.8
119.04904	1.3
119.08604	2.5
121.02867	2.0
121.10097	2.0
123.04439	33.9
125.05972	2.1
125.09672	1.0
127.03918	1.5
128.06241	1.5
129.06996	1.3
131.04971	1.5
131.08543	1.5
133.06470	2.1
133.10138	2.4
135.04381	2.3
135.11691	1.5
137.06009	1.4
139.03911	100.0
141.05463	4.7
141.06987	1.7
143.08586	1.5
145.10136	1.7
147.04378	3.3
147.08032	3.1
147.11708	1.3
149.02364	5.8
149.06039	1.3
151.03902	2.3
153.01851	16.7
153.05475	92.2
155.03351	2.2
156.05705	1.3
157.06493	1.4
159.07996	2.4
159.11693	1.3
161.05977	7.0
163.03920	9.1
163.07516	2.0
165.05467	2.1
165.12801	1.3
167.03333	2.2
167.07053	12.9
171.08055	1.5
173.05971	1.3
173.09663	5.3
175.03897	2.5
175.07539	18.5
177.05440	2.5
181.04932	2.6
181.06400	1.5
186.06694	1.1
187.07536	2.2
188.32921	1.1
189.05478	1.6
189.09084	2.8
191.07036	1.5
193.04976	1.3
195.02849	2.4
195.07973	1.3
199.07668	1.0
201.09149	12.2
203.06952	1.3
203.10667	4.0
203.17972	2.2
205.08675	2.2
213.05476	1.3
215.10643	1.6
217.08562	11.7
219.10173	48.1
220.10590	1.2
221.19040	2.0
223.07587	1.3
225.09142	1.3
229.04971	1.9
231.06584	2.9
231.10216	2.1
233.08044	1.2
233.11710	7.5
237.09108	1.2
247.09731	1.5
251.06900	1.3
252.07860	1.3
265.08582	1.8
279.06659	1.2
281.07874	1.1
283.09583	1.2
295.09634	2.1
301.07153	1.8
304.20984	1.1
309.07373	1.3
311.09137	1.3
323.09061	2.9
323.12677	1.1
327.12363	2.3
329.13693	1.4
339.08636	1.9
343.11646	3.2
344.12173	1.2
351.12494	1.9
355.11710	12.6
368.48740	1.3
369.13290	3.4
383.10864	2.3
383.14948	3.5
401.15976	15.0
401.24072	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01869	5.5
55.05501	4.2
57.03450	9.5
65.03929	2.4
67.05519	7.9
68.99787	5.1
69.03425	3.6
69.07076	8.4
70.06595	1.6
70.95856	2.7
70.96203	1.4
71.04983	3.2
76.71613	1.2
79.05492	17.0
81.03415	3.2
81.07082	6.0
83.01302	1.7
83.04965	1.8
85.02880	1.5
89.19778	1.3
91.05470	5.6
93.03393	1.7
93.07073	6.0
94.04176	1.4
95.04977	10.4
95.08607	3.2
96.28210	1.1
97.02902	2.9
97.06538	97.0
101.31715	1.3
103.05485	1.7
105.03372	1.5
105.04520	1.4
105.07018	4.0
107.04964	11.7
107.08604	2.8
109.02907	1.8
109.10131	2.6
111.04444	4.5
111.08083	3.0
115.05468	1.8
117.07010	2.2
119.04925	2.8
119.08617	2.4
121.02862	5.1
121.06517	6.5
123.04433	76.2
125.06005	4.9
127.03899	1.4
129.06976	3.8
131.04935	2.8
131.08604	2.5
133.02895	1.5
133.06493	3.8
133.10089	1.7
135.04425	7.4
137.02354	3.6
139.03909	63.5
141.05493	1.4
141.06958	2.1
144.05731	2.4
145.06444	3.1
145.10129	1.7
147.04427	4.7
147.08038	4.6
147.11696	1.4
149.02353	11.4
149.05986	2.3
151.03903	5.7
153.01866	27.0
153.05479	100.0
155.03391	1.5
156.05650	2.0
157.06493	2.3
159.04364	1.5
159.08038	5.0
161.02336	3.0
161.05997	12.3
161.09680	1.9
163.03922	17.1
163.07596	3.0
165.01860	7.3
165.05450	2.2
167.03398	2.9
167.07062	19.7
169.06354	1.3
171.08041	2.1
173.09572	2.0
175.03914	3.5
175.07553	22.7
177.01814	2.3
177.05478	3.1
177.09059	1.8
179.03378	3.0
179.07095	2.1
181.04974	2.2
181.06464	2.4
184.05179	1.4
184.37987	1.2
185.05948	1.6
187.04010	1.6
187.07542	5.1
189.01845	4.7
189.05466	4.9
189.09126	4.0
191.03410	3.5
193.05011	10.6
193.08656	1.4
195.02911	3.1
197.05952	2.2
199.07542	3.4
201.05341	1.4
201.09152	4.8
203.03484	2.0
203.06950	2.8
203.10641	3.7
205.08551	11.0
206.08141	2.6
207.06396	2.7
207.08168	1.5
208.05109	2.1
213.05426	3.2
215.03339	1.5
215.10597	1.6
217.05051	1.5
217.08597	17.1
219.08125	2.3
219.10136	19.4
229.04977	2.1
231.06445	12.6
231.10194	2.8
233.11703	5.2
245.08023	2.8
247.07523	1.9
247.09766	3.1
248.08180	1.8
249.07567	21.6
253.05057	1.3
255.06369	6.5
258.05298	4.9
259.06104	2.9
261.11285	2.6
263.10663	2.3
265.08435	2.1
267.06689	1.7
268.55518	1.3
269.08023	1.9
271.06015	1.5
271.09686	5.0
273.07608	2.5
279.06451	1.5
283.05978	2.9
283.09717	1.4
290.09097	1.5
291.08749	4.9
295.05984	4.2
297.03961	1.6
299.09183	4.9
301.06958	4.0
307.09717	1.6
308.10455	2.2
309.08014	1.4
309.11176	5.8
311.09195	2.4
315.08667	5.2
323.12939	1.7
325.07175	1.9
325.10782	2.1
327.08548	8.7
327.12238	6.3
330.10941	5.9
337.10733	10.3
339.08609	2.3
343.11765	12.2
351.12241	5.0
352.13086	1.4
355.11783	33.1
364.48361	1.3
365.10233	3.0
368.12421	3.0
369.09006	1.6
369.13278	5.8
383.10809	15.4
383.15628	9.9
386.08868	1.4
401.11649	8.4
401.16571	2.8
401.23712	2.2
416.67935	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70792	1.0
53.03954	1.8
55.01876	2.1
55.05517	1.8
57.03436	3.9
65.03940	1.6
67.05519	6.8
68.99794	5.5
69.03416	1.9
69.07053	4.0
69.78844	1.0
70.76179	3.4
71.04994	2.4
72.29311	1.2
79.05496	12.3
81.07060	2.8
83.05015	1.3
91.05489	3.4
93.03413	1.7
93.07040	2.4
95.04973	5.6
97.06537	53.4
99.04398	1.2
107.04958	3.5
111.04445	4.8
111.08085	2.0
121.02864	3.0
121.06541	2.6
123.04437	35.3
125.06014	3.3
127.03919	1.1
128.06184	1.2
129.06985	2.2
133.06496	2.2
135.04417	2.8
137.02364	1.9
139.03911	100.0
141.05428	1.3
141.07056	1.7
143.08582	1.3
144.05643	1.1
145.06522	3.9
147.04433	4.5
147.08086	2.8
149.02350	9.0
149.05995	2.2
151.03969	2.3
153.01849	20.8
153.05467	51.4
155.03326	1.1
155.08635	1.1
159.08092	1.7
161.05989	5.7
163.03918	10.7
163.07518	1.5
165.01837	2.5
167.03452	2.1
167.07028	3.9
171.08058	2.6
173.09705	2.1
175.03886	2.3
175.07552	22.0
177.05522	2.3
181.04996	1.6
185.09616	1.5
187.03938	1.3
187.07597	1.5
189.01874	2.0
189.05446	2.0
189.09090	4.5
193.04987	3.6
195.02942	3.0
195.06480	1.3
201.09045	6.5
203.10541	2.4
205.08638	3.5
213.05475	1.3
215.10696	1.9
217.08580	10.7
217.10013	1.1
219.10173	9.2
225.09254	1.1
229.05013	2.0
231.06544	4.7
231.10120	1.8
233.11769	15.4
243.06540	1.8
243.10196	1.9
249.07556	7.3
255.06531	2.6
258.05316	2.1
261.11279	2.2
269.04541	1.5
271.09604	1.6
283.06055	3.0
287.05487	1.3
291.08618	1.5
295.05762	1.3
299.09082	1.2
301.07120	2.0
309.07495	1.2
309.11255	1.6
311.08990	2.4
325.10690	3.0
327.08725	3.9
327.12427	4.1
337.10812	4.7
339.08624	2.5
343.11841	5.2
351.12329	5.1
355.11749	17.1
365.10114	1.9
369.13330	9.0
377.36542	1.2
383.11212	7.5
383.15457	2.2
401.12262	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	400.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20484	0.7
55.05514	1.0
55.55691	0.8
57.03426	1.0
65.03914	0.8
69.03410	1.3
70.06576	3.2
70.79703	0.8
81.07068	0.8
85.02909	1.0
91.05488	15.1
92.04975	0.7
100.61115	0.7
103.05481	0.8
108.90020	0.9
117.26423	0.7
119.04954	29.5
123.04435	2.0
131.04912	1.2
133.10135	0.8
139.03918	3.2
147.04419	100.0
148.04753	1.6
154.05013	6.2
163.03944	1.0
163.31987	0.7
165.05518	1.5
166.50493	0.7
177.05510	1.6
178.79967	0.7
181.04951	1.8
220.09599	1.1
247.78679	0.7
248.09195	2.2
280.07928	1.4
293.35080	0.8
400.14172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
64.60855	0.7
65.03934	2.0
69.03444	1.5
70.06599	0.8
84.04510	25.2
84.08211	0.7
85.02916	5.9
92.05010	4.4
97.02895	1.8
103.61490	0.7
110.06050	100.0
110.67744	0.7
111.04453	0.8
123.04501	0.7
126.05515	1.1
127.03925	1.1
130.05003	11.7
139.03914	2.2
147.04376	1.5
148.04819	0.9
158.06015	1.4
161.31773	0.7
167.07022	0.9
175.08740	1.1
176.07097	3.9
180.56993	0.6
181.05032	2.1
183.86613	0.6
188.10580	0.7
191.88533	0.7
221.09193	1.2
222.07674	2.9
239.10289	20.0
239.13963	0.9
367.06738	0.8
383.14899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01869	1.5
57.03439	7.8
61.02923	2.6
67.05466	1.0
69.03436	9.1
69.47568	1.8
69.47967	3.6
70.06579	2.3
71.04991	2.2
71.29671	0.9
72.09588	0.7
73.02913	1.8
81.03420	7.0
84.08156	1.1
85.02911	25.0
86.09717	1.5
86.86308	0.7
87.04478	1.9
95.04959	1.1
97.02890	8.2
98.21552	1.4
99.04452	1.7
102.04619	1.1
103.03983	1.8
103.05476	50.7
103.92719	0.7
105.07027	1.4
107.04959	1.0
109.02888	4.0
117.05501	1.1
119.08659	0.8
122.39425	0.8
123.04445	0.8
123.09399	0.7
127.03944	8.6
130.04175	2.2
131.04939	100.0
133.06496	1.4
145.04993	2.6
145.06479	1.5
148.05200	12.4
151.03961	0.7
160.05180	1.4
161.06047	4.7
162.06728	1.4
163.07552	45.8
164.04396	1.2
175.07573	1.4
178.44893	0.8
201.09174	3.1
219.10344	0.9
237.11177	1.3
257.28275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.238
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03939	1.3
55.01867	0.7
55.05496	2.1
57.07069	1.3
61.02915	1.1
65.03929	0.6
67.05505	8.3
69.03429	17.5
69.07074	3.7
69.32324	4.6
70.06568	1.6
71.05008	0.7
73.02888	0.7
78.21930	0.6
79.05512	3.1
80.12627	0.5
81.03416	1.4
81.07062	7.4
83.04961	1.4
83.08607	1.7
83.46532	0.5
84.04477	0.4
85.02905	7.9
85.06156	0.5
85.06549	5.4
91.03963	0.6
91.05481	4.2
93.07045	23.9
94.31892	0.6
95.04955	1.4
95.08607	6.7
97.02897	3.6
97.06546	2.3
97.10141	0.7
99.04504	0.8
105.07043	4.7
107.04954	1.7
107.08595	13.9
109.02881	1.2
109.06516	4.8
109.10160	24.4
109.10938	1.1
111.08086	8.0
114.10258	0.8
115.05416	0.5
117.06989	0.9
119.08574	6.4
119.14779	0.6
121.06513	3.6
121.10142	8.2
122.07272	1.0
123.04478	1.1
123.08070	3.9
123.11707	7.0
125.09602	1.9
127.03914	1.8
131.08578	2.4
133.09206	0.5
133.10191	2.4
135.08058	11.2
135.11691	28.7
136.12059	0.8
137.09619	14.4
143.08542	0.7
145.04929	1.2
145.10121	4.5
147.11681	1.1
149.09616	2.3
149.13254	1.8
151.03909	1.5
151.11104	0.7
153.01836	0.7
153.05501	0.7
158.24352	0.5
159.11722	5.2
161.09599	2.2
161.13260	4.7
163.06039	0.6
163.11183	7.4
173.13310	0.7
175.14806	1.2
176.11974	1.8
177.12747	1.5
177.16371	3.9
191.17931	0.9
201.16389	8.4
208.38713	0.6
219.17439	100.0
220.17783	2.1
237.18513	2.8
265.39828	0.5
399.15091	0.7
399.23618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72597	1.3
51.92667	1.2
69.03425	2.2
70.03711	5.8
77.17002	1.5
78.94131	1.4
79.05498	2.6
85.02909	2.8
85.29984	1.3
86.73590	1.4
89.03925	6.3
97.02927	1.5
106.06546	3.1
107.04980	2.7
116.07113	1.7
117.03368	6.9
129.06027	1.4
134.06035	7.8
135.04440	12.4
145.02892	9.7
147.04416	2.0
161.70564	1.6
162.05521	13.9
163.03923	90.6
169.82912	1.4
190.05017	9.4
208.06068	68.0
225.43018	1.4
236.05554	100.0
236.16438	3.4
236.41733	1.5
237.05972	2.0
334.92337	1.5
381.71204	1.5
398.11346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	38.5
70.71579	31.3
71.50328	44.0
85.02889	44.0
97.02899	100.0
101.00864	29.0
136.06177	98.2
162.92859	25.1
250.09367	65.9
307.02988	27.6
339.09628	38.5
399.06955	50.0
399.12036	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
58.99860	1.9
61.02911	2.5
69.03427	9.8
69.81051	6.3
69.81421	3.0
70.06564	1.5
71.04982	1.7
77.00897	1.5
81.03403	5.0
85.02914	24.9
85.22533	1.2
87.04455	1.6
97.02893	10.4
98.97621	1.7
99.04405	1.6
100.02047	1.3
101.00890	14.0
105.03345	1.6
109.02864	2.3
112.07624	2.0
113.00871	6.9
115.02462	1.4
119.01913	22.1
127.02377	2.4
127.03934	4.9
131.01907	12.5
133.03506	2.3
136.06192	9.5
137.00900	1.6
139.02364	1.7
143.01913	4.6
145.03474	8.3
147.04382	2.7
155.01875	9.9
157.03470	5.0
158.06604	3.3
159.40204	1.4
161.02960	10.8
165.00488	1.6
165.04053	2.0
167.01924	2.8
169.03520	1.8
173.02974	4.8
179.01958	2.2
181.03456	6.3
183.01437	2.6
183.05020	5.3
184.41814	1.5
185.03000	6.3
187.04576	4.0
193.03433	3.1
195.01384	3.5
195.04970	2.2
197.02956	24.3
198.03091	1.6
199.04517	4.2
201.04144	1.9
203.04071	3.3
205.03564	2.6
207.04988	2.4
209.02962	6.7
211.04579	5.1
212.07603	1.9
213.02438	24.2
215.04031	2.9
217.03551	1.9
219.01414	3.2
219.05109	3.0
221.02974	5.5
221.05013	2.8
223.00902	5.2
223.04561	5.1
225.02570	1.4
227.04074	2.5
231.01414	3.0
231.03423	3.5
235.04626	7.4
237.02441	33.7
237.06082	3.1
238.02589	1.8
239.04024	7.1
245.05141	4.8
247.04588	3.6
249.02420	16.0
250.09410	2.1
251.04048	6.3
253.05641	3.0
255.03534	40.4
261.02390	8.1
263.04019	13.1
265.02127	2.2
265.05542	2.3
267.03522	16.6
269.05161	1.9
270.08344	1.8
273.02432	3.9
277.05753	1.8
279.03500	16.2
281.05087	13.6
281.13416	2.5
285.04678	1.9
291.03467	6.5
297.04538	16.9
302.05273	1.5
303.03635	1.7
309.04675	3.3
321.04474	7.2
339.05618	100.0
340.05902	4.1
357.06656	76.8
358.06821	2.9
375.07535	6.4
380.08487	1.9
393.08801	8.8
399.07733	20.1
399.12735	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	398.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54362	0.4
53.66788	0.3
65.29949	0.3
70.06588	1.8
70.12045	1.3
74.47292	0.3
79.05483	0.6
84.08150	0.4
85.02892	0.4
89.03922	7.0
91.05478	0.4
95.04979	0.7
107.04952	1.9
110.04386	0.3
110.07168	0.6
117.03391	8.7
122.83875	0.3
123.04515	0.7
124.07589	0.5
135.04430	16.9
145.02859	12.3
145.03999	0.7
147.04469	0.5
148.08727	0.3
163.03918	100.0
164.04286	1.9
164.97046	0.4
171.38542	0.3
177.05481	0.5
179.07066	0.8
192.07721	1.3
193.07974	1.1
218.05614	0.9
218.50417	0.3
219.05933	1.4
222.15451	0.3
235.08275	1.1
236.08582	2.2
281.71420	0.4
286.81833	0.4
356.70978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62569	0.7
56.53680	0.6
57.03397	0.8
58.50075	0.7
63.91813	0.6
66.04110	0.6
67.05451	1.4
69.03375	0.9
69.07012	2.0
69.87602	1.5
69.88011	2.6
70.06562	0.9
71.04932	1.0
78.03396	1.8
79.05433	2.0
80.04959	2.2
81.07018	0.9
84.82378	0.7
85.02860	0.7
88.10777	0.8
91.05421	1.9
96.04420	2.3
96.08074	1.0
97.06535	9.1
104.75276	0.6
105.03407	0.6
105.06998	1.2
106.02842	2.2
107.04905	1.1
111.00771	1.6
111.18125	0.6
119.04893	1.5
119.08512	0.8
123.04440	31.8
124.03963	75.6
125.04204	1.7
128.06155	0.8
129.06944	0.7
131.08516	1.5
135.04353	2.3
137.05884	1.1
139.03886	4.2
143.08531	1.5
145.06392	1.1
146.06013	0.8
147.04431	5.1
147.05464	0.8
147.05743	0.7
147.06819	8.9
147.07922	1.5
148.07375	0.6
151.03824	1.0
157.10088	1.2
159.07982	1.9
161.09581	0.8
163.03909	1.0
163.07457	1.2
164.07088	0.9
167.08549	0.8
171.08000	0.9
173.09616	1.3
174.12646	0.9
176.07018	2.7
176.10712	7.3
177.07855	9.4
177.09282	1.1
185.09604	1.0
187.07471	0.9
188.10680	1.4
189.05446	0.9
189.09021	1.3
199.07455	1.0
201.09056	1.2
202.12274	9.1
204.10251	5.2
205.10933	1.3
206.11790	3.2
213.12663	1.9
214.08543	0.8
216.10188	1.8
229.10831	4.9
230.15421	4.2
231.13812	3.3
257.15369	1.0
258.14908	19.3
260.12830	1.9
266.17444	0.9
273.07608	8.6
273.13589	19.6
284.16556	1.3
302.17520	85.4
303.17816	2.9
305.16296	8.0
316.19043	7.9
320.17810	0.7
328.19043	2.5
334.20145	100.0
335.20425	3.1
346.20074	2.5
360.21677	12.6
378.22787	24.4
379.22955	0.8
396.10843	4.0
396.23880	50.5
397.24185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97059	1.0
55.01862	1.6
65.03941	1.2
69.03425	1.9
69.07066	2.0
69.84081	3.8
69.84495	2.6
70.06557	1.1
77.36456	0.9
84.04472	1.1
85.02893	4.4
92.04980	1.5
93.03385	1.5
106.06545	1.4
109.02869	1.0
118.02884	1.1
119.03674	1.4
120.04490	2.3
123.04451	1.3
131.05006	1.2
134.06033	2.2
135.11713	1.0
139.03885	3.3
141.01845	2.2
145.05376	1.1
146.06012	3.0
148.03935	5.0
148.99040	1.0
150.05519	2.1
153.05522	1.5
154.05031	2.9
154.06256	11.0
162.05504	4.7
164.03430	2.9
166.05008	1.9
167.07094	1.3
168.06557	2.7
169.07346	20.6
174.05501	2.2
175.00938	1.0
175.02615	1.3
176.03413	1.2
176.07037	1.9
178.04994	1.9
179.05769	24.9
179.07205	1.9
180.06551	30.0
180.08047	2.5
181.04947	7.4
182.08095	1.9
186.05421	1.3
190.04999	1.5
192.06482	2.5
194.04556	5.9
194.08173	2.1
197.85425	1.0
201.50336	1.0
202.05034	3.2
204.06557	1.8
206.08113	3.4
206.11714	1.3
208.06104	1.7
209.06856	5.8
210.07529	2.4
218.11765	1.6
219.05376	1.5
220.06044	3.6
221.03239	7.0
222.04048	2.6
222.07643	6.8
222.12494	1.2
225.06310	1.5
230.04453	5.8
234.07570	2.1
235.04773	8.0
236.05414	2.3
236.09229	1.6
237.13594	4.1
238.07076	1.9
244.09755	1.3
248.05453	1.4
248.09196	2.5
250.07144	4.6
253.05836	22.7
260.05792	2.1
260.09006	1.5
262.07178	6.7
264.08447	1.3
266.06528	1.8
279.07394	3.9
280.08160	5.4
281.08890	3.7
286.10510	1.1
290.10126	2.1
291.07510	1.5
292.08173	2.6
296.07819	2.0
309.08450	2.7
310.09195	18.1
326.08575	1.7
327.09500	100.0
328.10217	38.0
330.51486	1.2
334.16360	3.6
340.10223	4.6
346.12714	1.3
360.14474	1.2
364.13800	6.2
378.15561	1.4
396.16400	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	396.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03945	0.4
67.05502	0.4
68.99799	0.9
69.07078	0.3
70.06579	0.2
71.51276	0.2
71.51669	0.2
77.03936	0.4
78.03448	1.6
80.05021	3.7
89.03930	0.4
95.04969	0.4
96.04501	2.0
97.06542	0.9
101.30933	0.2
105.03391	0.7
106.02915	2.8
107.04951	0.2
111.00813	1.7
117.03401	0.3
119.04959	0.3
120.08137	0.2
123.04434	39.7
124.03957	100.0
125.04280	1.1
129.03368	0.2
135.04427	2.9
139.03905	5.5
145.06509	0.4
147.04402	4.5
147.06790	0.5
151.03914	1.2
153.07085	0.2
161.05952	0.3
163.03896	1.2
163.07558	0.9
173.09573	0.2
176.07076	0.2
176.10701	0.2
177.07817	0.6
189.05510	1.1
193.68976	0.2
199.07579	0.4
202.12305	0.7
204.10156	0.4
206.11806	0.2
216.10307	0.3
217.95630	0.1
227.06984	0.3
229.10957	0.5
230.15352	0.4
231.13840	0.4
255.06491	0.4
258.07596	0.7
258.14954	1.2
260.13062	0.2
273.07578	10.4
273.13553	0.9
274.07901	0.4
284.16473	0.2
302.17508	6.0
305.16260	0.5
316.19083	0.4
328.19046	0.3
334.20120	7.1
360.21802	0.7
378.22849	1.9
396.10806	5.6
396.18649	0.2
396.23779	3.7
396.28662	0.3
414.59909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
58.28010	1.1
65.03940	1.9
65.25064	1.4
68.02599	1.1
69.03433	2.7
69.07067	3.3
70.06587	1.3
70.86076	3.4
84.02117	1.9
85.02915	5.1
85.39864	1.1
92.05013	2.2
95.04980	1.4
97.06572	1.7
105.07082	1.4
120.04473	2.5
122.06046	1.2
126.05459	1.4
131.04974	1.5
132.04486	2.2
133.06537	1.8
134.06053	2.1
139.03912	3.4
141.01796	1.9
146.06018	3.0
147.04413	1.3
148.03954	5.7
148.07578	1.3
150.05476	2.4
153.05446	2.4
154.05025	4.4
154.06264	11.1
161.05951	2.0
162.05479	3.8
164.03473	4.6
166.05006	1.9
168.06557	4.2
169.07352	22.2
171.06552	1.7
175.02623	1.8
176.03424	1.4
176.07109	2.4
178.05029	3.0
179.05777	23.5
179.07201	2.1
180.06548	28.2
180.08020	1.4
181.04955	8.4
181.07277	1.3
182.08151	3.3
189.09117	1.4
191.05733	1.7
192.06543	3.0
193.07304	1.5
194.04559	4.9
194.08165	2.7
195.05212	1.3
202.04985	2.8
204.06636	1.6
206.04375	1.5
206.08195	3.5
206.11769	4.4
208.09709	1.7
209.06900	7.7
209.10512	1.9
220.06088	4.1
221.03218	7.2
222.04062	3.8
222.07654	7.5
225.06224	1.4
229.10985	2.5
230.04512	7.9
234.04018	1.4
234.07668	1.3
235.04782	6.1
236.09181	3.4
237.13684	7.7
238.07097	3.4
248.09258	2.6
250.07138	4.8
253.05827	23.2
258.14859	8.8
260.05554	2.1
262.07098	5.6
263.74939	1.5
264.08780	2.1
278.06625	1.5
279.07367	3.6
280.08237	4.9
281.08850	3.0
290.10141	3.0
292.08234	2.6
292.11771	1.6
296.07690	3.3
302.17548	4.6
309.08545	1.9
310.09241	18.8
326.08417	1.6
327.09500	100.0
328.10248	38.3
330.91803	1.3
334.16574	3.2
340.10248	5.5
364.09991	1.4
364.13846	6.1
378.15720	1.4
396.16357	13.5
396.20233	1.2
396.24036	3.0
397.16644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
53.23276	0.3
55.05511	0.8
64.87672	0.3
67.05495	1.0
68.04994	0.4
69.03427	0.8
69.07036	0.6
69.78051	1.5
70.06583	0.5
71.08636	3.9
79.05485	0.7
81.03418	0.5
81.07053	1.1
82.62743	0.3
84.04503	6.4
85.02908	10.1
86.06070	7.2
86.06597	0.4
88.11280	1.3
91.05482	0.6
93.07039	1.3
95.01346	0.7
95.04946	0.3
95.08613	0.5
96.08150	0.3
97.06528	0.3
102.05550	6.7
105.07050	1.0
107.08614	0.7
108.08121	4.1
109.10145	0.4
110.09689	0.4
112.03983	1.1
114.05589	0.3
119.08602	0.4
121.10172	0.5
124.11238	0.5
130.05011	49.7
131.08539	0.4
133.10149	0.4
134.09639	0.8
135.11685	0.9
136.11206	0.3
145.10126	0.3
146.04184	0.3
147.11699	0.4
150.12769	1.4
152.14346	4.3
154.15919	0.4
156.13846	10.2
163.11345	0.3
172.13368	0.5
178.15952	1.0
194.05002	0.3
196.17000	4.5
196.78758	0.4
200.12827	100.0
201.13141	1.0
202.16110	0.3
218.19179	0.3
220.17130	0.3
236.16408	0.4
237.19582	0.3
242.06731	0.3
264.15936	3.3
266.17557	1.1
276.81543	0.3
305.25702	0.6
307.27383	1.0
308.18515	2.1
331.27542	0.8
333.28983	1.1
349.28531	0.3
351.26425	18.3
351.29745	0.9
353.27982	0.7
395.29059	16.7
412.62091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05519	15.1
57.07077	18.8
57.69111	2.6
62.77973	2.9
67.05508	22.6
69.06736	3.3
69.07077	34.7
69.16330	17.0
69.16756	12.2
71.08637	20.9
77.85599	2.6
79.05487	12.1
81.07061	55.5
83.08621	15.9
85.10198	14.4
89.06052	3.0
91.05475	24.4
93.07047	19.7
93.21587	3.4
95.08617	42.2
97.10158	9.5
105.07040	31.7
107.08619	20.1
109.10167	16.9
111.11742	7.4
117.07022	17.5
119.08587	17.1
121.10147	8.3
123.11717	9.4
125.13195	3.6
129.07040	3.9
130.07782	3.8
131.08583	20.2
133.10147	31.6
135.11668	7.3
137.13292	4.6
143.08563	8.3
145.10127	60.1
147.11707	23.1
149.13297	5.4
157.10146	12.4
159.11708	43.6
161.13274	10.3
171.11772	4.1
173.13297	15.1
175.14883	4.9
185.13297	4.5
187.14868	6.8
199.14897	9.6
201.16417	5.2
207.27367	2.8
213.16417	8.4
241.19531	6.8
247.24220	4.2
255.21172	7.5
262.96423	2.7
279.83182	2.7
301.28799	5.2
315.30984	2.9
339.30844	2.8
395.36752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80132	4.7
69.94371	9.4
69.94785	12.9
98.21426	6.6
193.02853	4.7
195.01154	5.0
223.83992	4.1
273.60873	5.4
319.33682	4.7
394.36703	4.7
395.09512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
63.02372	1.3
69.46504	3.9
72.08158	0.7
78.04726	1.1
79.99628	0.5
81.07060	0.6
89.03914	14.3
91.05495	0.8
91.97115	0.5
93.06985	0.6
95.05035	0.6
96.51792	0.6
103.05473	0.7
106.04195	0.6
117.03384	35.0
118.03695	1.0
119.04940	0.8
119.24158	0.6
121.06522	0.6
122.06041	1.0
134.03618	3.3
135.04398	1.4
140.07088	1.0
145.02850	63.1
146.03127	0.9
147.04414	1.4
149.05986	10.3
163.03891	0.8
177.05476	100.0
178.05849	1.2
206.38754	0.6
256.08139	0.8
378.79114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2039
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
57.03426	0.4
62.49397	0.4
65.62380	0.4
71.02554	1.0
81.35433	0.4
84.57236	0.4
88.72182	0.3
91.05498	0.4
93.07052	0.5
100.11234	0.4
105.07005	0.7
109.45019	0.4
119.48814	0.5
126.46705	0.4
136.67496	0.4
222.07425	0.4
272.61136	0.4
302.17520	1.6
334.20181	1.1
364.71695	0.8
365.21997	1.0
395.20419	100.0
396.20496	1.9
399.03082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.8
55.05502	1.8
57.03423	0.6
57.07078	1.2
62.36688	0.6
63.30829	0.5
67.05505	2.9
69.03440	1.0
69.07067	3.4
69.20488	5.8
70.06594	5.3
71.62646	0.5
72.75827	0.6
79.05492	3.1
81.07053	5.3
83.08616	0.9
86.06078	1.0
87.04472	6.0
88.07658	1.6
90.07864	0.6
91.05479	2.2
93.07044	6.2
95.04997	1.3
95.08605	4.0
98.06061	8.3
102.09189	1.4
103.05484	1.4
105.07055	2.7
107.08598	4.1
109.06491	1.1
109.10194	1.3
116.07124	1.4
119.08584	4.0
121.06498	6.5
121.10160	1.5
133.10158	2.5
135.11719	1.4
147.11746	1.6
149.02335	7.0
149.03372	0.8
149.13290	1.1
161.13260	3.5
162.12802	3.2
163.14848	0.9
164.14406	1.2
175.14903	1.8
178.15971	0.8
193.04967	7.3
202.15994	0.8
205.19589	0.6
217.19568	0.9
228.23235	3.9
240.96915	0.7
248.16463	5.4
250.18147	2.5
264.19623	4.1
266.21320	0.8
274.21628	3.7
316.26450	0.6
324.21991	1.6
394.29694	100.0
395.30246	2.9
404.04782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93499	2.4
56.05023	4.4
57.23829	2.3
69.03423	4.0
69.54263	9.3
69.54688	7.3
70.06576	4.5
84.04512	13.0
84.08150	100.0
84.31359	2.2
85.02904	9.1
86.09704	5.7
89.03925	3.3
91.05482	10.9
98.97599	4.3
102.09203	5.2
107.04953	4.4
109.02853	2.6
117.03387	10.8
119.04964	21.8
119.38044	2.1
121.06541	4.1
121.23840	2.3
122.03681	2.8
122.06058	2.6
128.09612	2.3
134.03589	3.3
135.04411	7.8
137.05978	23.2
145.02834	19.6
146.80731	2.3
147.04422	45.3
148.04849	2.4
149.05980	8.2
150.06799	3.6
151.07547	4.2
162.03075	3.0
167.07092	8.5
169.13393	6.6
177.05492	24.9
179.07048	40.2
185.03064	2.5
187.04689	2.6
199.70581	2.3
261.16190	3.5
275.99512	2.9
302.17258	6.8
307.34222	2.3
330.20187	24.3
336.29404	2.4
394.20013	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	393.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	5.2
55.01878	4.1
55.05504	13.7
55.14480	3.9
60.98438	3.4
63.06137	3.8
65.54615	3.6
66.19666	3.3
67.05505	28.0
67.59373	3.6
67.86813	3.6
69.07053	18.2
70.07780	11.6
70.08205	7.6
71.04982	5.1
73.02908	3.4
79.05499	17.9
81.03362	5.2
81.07067	100.0
83.04977	13.8
83.08614	8.6
85.06540	18.8
89.06042	5.2
91.05512	22.9
93.07057	48.4
95.08617	60.4
97.02911	3.8
97.06534	7.6
99.08085	5.6
101.06024	31.7
105.07048	18.7
107.08601	42.4
109.10161	39.4
111.04480	5.7
111.08057	11.2
113.05993	4.4
113.09650	8.4
115.07613	5.5
119.04918	13.9
119.08588	23.7
121.10172	27.1
123.11715	42.9
127.11281	4.3
129.05478	13.7
129.09128	6.4
133.08627	4.4
133.10136	10.8
135.11687	28.1
137.09633	9.3
137.13252	10.8
137.72939	4.5
139.11189	8.6
145.10129	4.5
147.04431	63.1
147.11662	11.3
149.13284	37.1
150.07776	18.4
157.08595	4.5
161.09627	3.8
161.13261	5.8
163.14851	8.8
165.09079	11.4
175.14838	16.7
185.11731	8.6
193.15807	11.0
211.16940	22.1
215.90904	3.8
239.16505	26.8
248.15059	12.7
253.17923	5.7
257.17456	39.1
275.23663	5.4
292.56415	3.4
293.25040	5.2
309.24280	6.8
311.04028	12.9
321.24323	18.2
327.25214	12.6
329.05087	22.8
331.97458	4.6
339.25278	27.4
347.06128	6.5
352.06680	3.7
357.26248	8.9
370.07816	19.5
382.85864	4.1
393.18845	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53390	3.8
53.03939	7.3
55.05522	19.0
57.07078	9.5
65.03944	5.6
67.05510	38.2
69.07079	24.9
72.05741	4.7
79.05502	40.3
81.07066	66.1
83.04974	5.6
83.08623	11.2
91.05492	68.1
93.07056	86.0
95.04977	62.0
95.08612	58.4
97.06531	14.6
105.07048	92.6
107.08611	59.2
109.06518	18.0
109.10176	23.3
115.05464	7.0
116.06224	4.1
117.07018	23.1
119.08598	100.0
121.06517	24.4
121.10158	33.3
123.08113	4.2
123.11698	9.1
128.06232	13.1
129.07065	18.8
130.07825	6.1
131.08582	41.9
133.10146	59.8
135.08063	7.7
135.11696	26.0
141.07037	4.8
142.07761	20.2
143.08591	34.4
144.09294	8.8
145.10133	74.9
147.11690	25.4
153.06929	4.9
153.86324	4.1
155.00951	5.2
155.08572	15.1
156.09373	14.4
157.10147	55.6
158.10878	6.9
159.08133	7.8
159.11726	43.4
161.09660	18.8
161.13284	9.2
167.08600	8.3
169.10106	24.0
170.10867	4.4
171.11705	21.0
172.12386	4.1
173.13293	25.3
175.11198	13.3
175.14813	17.6
179.08571	6.7
180.09372	5.0
181.10156	12.2
183.11717	19.5
185.13286	14.0
187.11214	11.4
187.14807	10.1
193.10222	10.5
195.11790	11.8
197.13205	16.5
199.14867	10.7
201.16412	5.2
209.13271	14.3
211.14880	8.3
221.13292	5.7
223.14819	10.5
225.16518	5.5
233.13251	5.5
235.14825	5.2
251.18050	5.6
253.19624	5.8
255.17242	4.2
304.26370	8.8
313.57849	4.9
375.26788	4.8
393.27713	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	393.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90267	0.5
57.75094	0.5
68.05004	1.8
68.99792	0.6
69.47577	3.1
69.47996	1.1
70.06552	0.5
71.26629	0.4
71.41814	0.4
91.05437	0.6
95.20698	0.5
103.53534	0.6
107.04925	1.0
119.04929	0.8
124.05058	0.7
130.05013	1.1
140.03369	0.6
147.04410	3.7
149.04611	0.6
161.05963	0.7
166.07205	1.1
172.06023	0.6
189.06653	0.9
201.06488	0.8
202.07234	2.0
203.07986	2.1
204.08792	7.1
215.07965	2.0
216.08818	100.0
217.09416	3.1
218.10378	5.2
225.06468	11.3
226.07213	3.6
227.07985	1.5
228.08821	1.5
229.09566	1.4
230.10396	8.9
240.08812	57.1
241.09561	2.3
243.06619	1.0
246.09875	7.3
255.10008	0.8
258.09921	2.3
268.08307	4.7
272.11533	3.6
273.07568	0.8
283.09491	0.7
297.07748	0.7
300.10928	53.7
301.11148	1.5
311.08914	0.6
315.12164	0.8
333.12991	2.7
343.11505	2.6
361.12534	5.9
375.14139	4.1
393.15234	23.8
394.15283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68893	0.3
55.01868	0.5
57.03429	1.1
61.02938	0.4
61.87828	0.3
67.05495	0.7
69.03433	2.5
69.07054	1.1
70.06561	0.3
71.04990	0.6
71.21514	0.5
73.02898	0.5
79.05479	1.2
81.03422	1.7
81.07051	0.6
82.06568	1.3
83.04983	0.4
85.02905	4.2
85.06558	0.4
91.05473	0.9
93.07040	1.1
94.06580	3.2
95.04950	1.4
96.04512	0.5
96.08139	0.9
97.02889	1.8
98.06070	0.5
99.04365	0.4
100.77287	0.3
105.07021	0.7
106.06538	0.8
107.08575	0.9
108.08097	1.3
109.02896	0.6
109.06514	1.3
110.06030	3.2
111.06852	0.4
111.08060	0.8
112.07648	1.0
113.06004	1.4
118.06533	0.3
118.36253	0.3
120.08103	1.0
121.06551	0.6
122.06032	8.1
122.06899	0.5
122.09644	1.4
123.04452	0.8
123.06763	0.4
124.07585	3.8
126.09151	0.6
127.03910	0.7
131.08543	0.9
133.08873	0.6
133.10117	0.5
134.09663	1.7
135.08083	0.8
136.07597	2.9
136.11223	1.3
137.06021	0.6
138.09137	4.1
139.07545	1.1
140.07068	12.0
142.08636	1.1
142.26987	0.3
145.04924	0.4
146.09682	0.6
148.07581	0.7
148.11214	2.9
149.02377	0.3
149.09593	2.3
150.09143	1.3
152.07060	1.0
154.08632	21.6
156.10210	0.8
164.10715	0.6
166.08675	0.3
166.12276	4.4
167.10641	1.6
168.10170	1.7
168.81046	0.3
176.10721	3.8
177.09074	0.8
182.08241	0.6
185.69284	0.3
194.11768	11.0
195.10202	0.4
199.40674	0.3
212.12820	5.1
230.13879	100.0
231.14258	1.8
247.04402	0.4
254.13895	0.5
267.44089	0.3
308.14752	0.3
353.34851	0.3
392.19144	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	392.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67345	2.0
55.01875	3.0
57.03437	9.8
58.85825	2.3
58.99581	9.2
60.81461	2.0
61.02898	3.1
67.05494	4.4
69.03407	5.1
70.06616	2.4
71.50430	3.3
76.01833	3.3
76.02229	35.1
79.05479	2.5
80.42329	1.9
81.07071	2.3
82.06555	2.1
84.04519	23.5
84.08134	7.9
85.02895	8.8
85.06551	17.0
86.99038	3.4
91.05460	2.2
94.06553	4.0
95.04946	2.3
96.08137	2.6
97.02896	2.5
99.02686	4.3
100.96674	2.3
106.23668	1.8
107.04919	2.1
107.08612	2.5
108.08146	4.0
110.06042	6.0
116.01683	13.1
117.03732	60.7
122.06047	9.8
123.07983	2.3
124.07592	5.0
125.04250	3.8
127.03935	2.3
129.06558	4.7
130.05014	11.1
138.09116	5.8
139.07558	4.0
140.07082	15.2
142.03253	2.9
142.06863	8.8
142.08629	4.5
143.05312	3.5
144.01212	6.1
148.11238	3.3
149.02342	8.0
149.05927	2.7
149.09624	2.7
150.09149	2.1
154.08638	20.5
156.10214	2.3
160.07938	16.6
162.02206	24.5
166.12242	5.7
167.07024	11.0
167.10747	3.5
176.10805	4.7
177.05476	3.3
179.04907	11.9
194.11786	12.1
212.12823	11.1
230.13893	100.0
245.09575	77.6
246.07964	4.1
276.15952	2.6
292.98651	1.9
306.77023	2.7
317.11697	8.1
333.27798	2.1
387.21564	2.0
392.09433	3.1
392.14484	3.4
392.19394	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	391.2693
Annotation	bhos#24
Peak:m/z	Relative Intensity
54.28189	6.7
55.05510	16.0
57.07058	12.2
63.49066	7.3
67.05492	26.1
68.99749	6.6
69.03428	11.8
69.07046	8.1
70.10098	16.5
70.10503	12.2
70.15159	7.3
70.19789	7.0
71.08607	12.4
72.08167	8.6
79.05489	20.8
79.06391	6.7
81.03413	10.6
81.07050	30.8
85.02887	16.6
85.06558	21.6
91.05481	25.8
93.07029	25.3
95.04964	9.3
95.08599	17.9
97.06506	14.7
97.90123	8.6
99.08058	8.8
105.03400	7.8
105.07018	24.3
107.04951	12.5
107.08598	18.6
109.10165	11.9
119.05005	10.5
119.08578	12.7
121.02863	13.1
121.10134	18.0
123.04375	9.4
137.05980	41.8
139.03835	11.0
149.02359	100.0
149.06021	12.0
149.88452	7.8
161.05965	11.1
161.09639	7.2
189.09097	8.0
253.08560	11.9
337.23798	10.5
390.81427	8.3
397.81232	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	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89589	3.1
53.03928	6.7
55.01867	4.5
55.05504	11.6
57.07062	9.1
65.03931	6.7
67.05515	17.8
69.03427	4.6
69.07075	13.8
69.67564	20.0
70.51345	2.8
70.73573	3.8
71.08611	3.6
71.56322	3.2
79.05506	25.9
81.07070	35.0
83.04998	6.6
83.08646	6.6
84.04381	3.1
85.06559	4.0
91.05496	39.6
93.07054	42.5
95.04974	37.8
95.08643	24.0
97.06528	5.0
98.20795	3.6
105.07037	79.5
107.08610	29.4
109.06496	6.2
109.10138	9.4
115.05423	4.7
117.07026	16.3
119.08587	52.7
121.06498	10.3
121.10136	22.0
123.08061	4.8
123.11697	3.8
128.06239	13.2
129.06981	12.7
130.07788	8.0
131.08597	23.4
133.10153	16.8
135.08102	5.8
135.11691	4.7
141.07047	7.5
142.07745	16.9
143.08563	30.0
144.09337	4.0
145.06520	4.2
145.10130	44.8
147.08089	8.1
147.11702	11.4
149.02359	20.9
149.09645	5.0
149.13240	3.5
153.06950	7.9
154.07776	5.6
154.37639	3.3
155.08522	11.9
156.09398	9.1
157.10150	34.4
158.11002	5.2
159.08054	6.2
159.11693	14.1
161.09610	7.5
165.06967	5.4
166.07854	3.9
167.03455	5.0
167.08542	8.0
168.09271	5.1
169.10115	26.7
170.10861	11.0
171.11687	21.2
173.13261	14.4
175.11166	4.2
179.08548	10.7
180.09377	9.1
181.10162	19.7
182.10892	7.0
183.11740	18.1
185.13266	8.0
187.11218	5.6
191.14432	6.6
192.09296	7.0
193.10211	18.6
194.10893	8.8
195.11728	16.5
196.12357	3.3
197.13232	15.0
199.14810	8.0
205.10237	5.7
206.10887	7.6
207.11736	19.8
208.12433	6.1
209.13206	17.2
211.11232	3.6
211.14856	9.0
217.10217	3.7
217.15848	3.8
219.11754	8.4
220.12469	8.9
221.13246	16.2
222.14180	3.7
223.11165	4.1
223.14839	10.0
225.12715	4.3
227.14232	5.9
231.11679	3.8
232.12436	6.5
233.13275	12.4
233.15434	4.8
234.14030	5.5
235.14885	12.6
237.16502	7.4
245.13206	6.8
247.14824	10.4
248.15445	5.5
249.16342	12.1
259.14969	3.8
260.15530	4.0
263.17932	9.1
264.18643	4.6
267.17355	6.0
273.16455	3.7
275.18015	4.5
277.19360	4.8
280.41089	3.3
281.18805	4.6
282.19711	9.0
289.19397	4.0
291.17358	5.3
293.19067	6.7
295.20700	3.8
297.18579	7.0
307.20563	4.0
317.19128	4.3
329.32520	7.3
335.19989	4.9
363.26797	4.6
373.25189	19.9
387.79657	3.9
391.26331	100.0
391.36169	11.8
392.26855	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00056	4.5
55.05510	5.5
68.05044	5.7
69.03434	8.6
71.51241	7.7
76.40862	5.1
76.59998	5.0
79.05486	6.2
81.03419	5.7
81.07047	7.6
84.04500	20.0
85.02907	19.4
91.05504	13.0
95.04966	4.8
105.07039	35.9
107.04920	6.6
107.08611	7.3
109.06528	4.9
114.05528	22.1
115.05477	9.4
121.06454	6.4
123.04517	6.1
124.07621	12.4
129.47798	5.6
130.05009	8.2
133.06519	37.5
142.04985	22.9
142.05948	5.1
143.06100	7.1
147.04451	6.0
147.08006	6.9
148.77754	5.7
161.05995	79.7
165.09164	8.3
175.07559	6.2
192.10176	7.5
193.08620	53.3
210.11333	7.4
210.74341	4.9
211.09720	15.1
212.12796	33.2
228.12386	13.5
232.15039	4.7
358.55832	5.4
390.18115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Debiloside B
Peak:m/z	Relative Intensity
52.23111	5.9
53.03946	9.9
53.88926	6.1
55.01872	12.2
55.05512	12.3
56.26212	5.8
57.03455	9.2
57.86343	6.5
58.08265	5.9
61.02922	11.1
67.05502	13.6
68.87177	6.9
69.03433	37.5
69.07073	10.9
69.51987	47.7
70.06608	12.8
71.04990	29.8
79.05490	12.9
81.03440	10.9
81.07063	29.2
83.04996	13.3
85.02917	51.2
85.06538	10.6
91.05492	33.1
93.07071	34.5
95.04977	55.2
95.08599	25.7
97.02902	11.9
97.06525	21.9
98.20679	7.5
99.04450	40.0
103.05487	13.2
105.07014	25.1
107.08603	25.7
109.02947	8.6
109.06528	18.2
109.10189	12.4
111.08073	8.6
114.90542	6.3
119.04955	21.0
119.08607	15.2
121.06528	11.0
121.10188	30.6
123.04443	18.7
123.08086	24.6
123.11713	15.9
125.09692	10.2
127.04016	7.3
131.04889	16.1
132.05658	14.2
133.06540	9.3
133.10153	43.9
135.11765	8.9
139.03915	12.7
139.11223	15.4
145.05022	7.4
145.10178	10.5
147.04405	8.8
147.11713	12.8
149.05994	6.1
149.09618	10.0
149.13332	14.8
151.07573	23.6
151.11121	11.2
153.05525	8.9
153.09152	21.6
161.06032	27.9
163.03935	7.4
163.07527	7.5
163.11150	8.2
165.05540	13.4
167.07109	18.4
171.10155	14.6
173.13242	14.0
175.07620	8.1
177.05571	7.8
178.09459	12.4
179.07059	32.8
183.13803	9.8
189.12854	12.8
191.07086	9.0
191.14304	14.7
192.07954	10.6
205.08478	7.1
207.13890	17.8
209.15381	100.0
227.16394	56.1
232.23767	6.7
236.12798	8.1
308.06326	6.9
357.13281	46.3
389.16800	18.7
389.21783	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	389.1596
Annotation	Renealtin B
Peak:m/z	Relative Intensity
55.01863	3.9
55.05490	1.3
57.03432	1.7
67.05489	2.1
70.70356	1.9
81.03395	2.3
81.07027	1.2
91.05467	2.7
95.04948	3.2
95.08570	1.2
97.02866	1.2
97.06520	3.6
103.05463	1.1
105.03371	1.4
105.06997	1.2
107.04950	2.8
107.40178	0.8
109.02882	5.1
111.04453	1.0
113.60601	1.0
115.05470	2.0
119.04935	6.7
121.06516	1.4
123.04432	100.0
124.04808	1.0
131.04926	1.0
133.06474	1.0
135.04390	3.7
137.05942	3.4
139.02809	1.4
139.03900	29.1
143.04903	2.4
145.06519	1.5
146.98312	1.0
147.04413	30.0
149.05978	2.1
151.03906	45.4
152.04243	0.9
153.05502	1.3
159.04303	0.9
161.05989	12.8
163.03902	5.7
163.07678	1.1
165.05479	20.8
166.40701	0.9
169.04929	1.5
173.05975	13.3
175.07480	1.6
176.04681	2.9
177.05473	16.0
177.09059	1.3
179.07042	4.0
181.04938	4.9
181.08577	3.6
189.05476	4.2
191.07042	4.4
193.04945	1.6
193.08611	44.1
194.08653	0.9
203.10625	1.2
205.08560	3.0
207.06546	11.2
207.10251	1.1
209.08086	1.6
217.08562	1.3
219.10176	16.2
223.09673	2.3
231.10159	1.7
237.11212	7.9
249.07729	1.2
249.11125	2.4
273.07251	1.2
285.07483	3.1
291.08710	4.7
303.08591	8.8
311.09003	2.5
327.12283	4.0
329.10229	14.6
345.13324	22.4
346.13538	1.4
353.13730	4.4
371.14835	12.2
389.15967	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	389.1596
Annotation	Renealtin B
Peak:m/z	Relative Intensity
55.01867	3.9
55.05533	0.9
57.03440	2.6
67.05515	1.6
67.88156	1.0
68.99786	1.4
69.07066	2.0
71.05642	2.3
79.05524	1.6
80.01558	1.0
81.03413	2.1
81.07076	1.3
83.04999	1.0
91.05471	3.4
93.07052	1.1
95.04966	3.1
95.08624	1.5
97.06528	4.2
109.02882	5.6
115.05466	1.4
119.04951	10.5
119.08562	1.0
121.06490	1.5
123.04437	100.0
127.03976	1.8
133.06493	2.0
135.04434	2.3
137.02383	1.0
137.05988	2.0
139.03912	34.1
141.09001	1.8
143.04919	2.9
147.04411	36.6
149.06010	2.7
151.03909	49.1
151.07501	1.2
152.04239	1.4
161.05984	11.1
163.03922	6.9
165.05502	24.0
169.04924	1.8
169.37714	0.9
173.05991	17.8
175.07619	1.5
176.04726	2.9
177.05484	14.4
179.06995	4.0
181.04964	2.3
181.08604	2.8
184.83876	1.0
189.05443	3.9
191.07033	5.8
193.08615	49.6
194.08804	1.4
205.08589	4.6
207.06538	12.9
207.10236	1.9
219.10172	20.2
223.09645	1.9
231.10274	1.5
237.11229	6.8
249.11217	2.9
273.07578	1.4
285.07504	2.9
291.08597	4.5
303.08658	10.4
311.09201	2.6
327.12335	5.1
329.10245	12.9
345.13336	32.4
346.13693	1.2
353.13818	6.4
371.14859	14.7
389.15985	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	389.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	4.5
70.06616	0.4
70.89159	0.4
76.86301	0.3
91.05486	100.0
92.05820	1.2
93.03394	1.0
98.21519	0.8
103.05487	0.3
107.04935	0.4
119.04922	0.5
123.04451	0.6
131.05028	0.5
131.43364	0.3
139.03903	0.6
147.04439	0.7
149.02345	3.5
161.02370	0.9
163.03888	0.7
165.04361	0.5
167.03415	2.7
173.91669	0.3
175.03952	0.6
175.07529	1.1
176.30594	0.3
177.05428	0.3
177.09221	0.3
179.03378	1.2
181.01445	0.4
181.05009	0.4
189.05469	0.4
191.03366	0.9
203.03442	1.1
215.03380	0.5
219.10129	0.7
227.07114	0.9
233.04489	1.8
239.07048	2.6
244.03726	0.6
245.04591	1.8
251.07095	0.8
257.08038	2.7
263.05533	1.0
265.08661	0.4
269.08124	0.5
281.06668	0.9
289.08685	0.5
293.08066	4.6
305.08115	0.6
311.09274	1.9
315.17178	0.4
317.08069	0.7
323.09146	9.7
335.09137	6.4
341.10025	0.4
353.10208	5.1
371.11185	2.4
389.12497	0.9
394.20032	0.4
394.74731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93238	0.9
60.81442	1.0
61.04047	4.3
66.74766	0.9
68.99815	0.9
70.02949	1.2
70.06602	1.3
71.51353	1.0
85.02905	1.6
86.09706	1.3
91.05496	1.4
94.33928	0.8
95.04984	2.0
107.04957	3.3
108.28313	0.9
119.04943	2.3
123.04440	100.0
125.65547	0.9
133.09230	0.9
135.04407	2.2
137.05917	1.0
139.03903	11.1
141.01683	1.0
147.04434	7.0
149.02367	2.8
151.03905	3.8
154.04980	3.7
161.06020	1.8
163.03897	3.2
165.05470	2.5
166.05006	11.7
166.54128	0.9
167.06891	0.9
177.01842	5.9
178.05023	1.4
179.03416	2.9
189.01701	5.3
191.03342	1.8
191.17709	0.9
192.02904	3.5
194.04626	1.1
207.02783	1.3
209.05498	1.5
215.07224	1.0
224.70018	1.0
237.05066	8.7
249.05121	2.6
257.14941	1.0
267.67514	1.1
273.07394	1.3
283.05933	1.6
311.05530	6.0
318.09720	4.2
326.06293	1.0
326.40656	0.9
329.06631	5.9
344.07468	1.7
389.17825	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	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95070	1.2
53.03942	5.2
55.01879	9.2
57.03437	5.8
60.84734	1.4
61.02926	7.5
62.08605	1.2
64.44389	1.3
68.99792	3.9
69.03086	2.8
69.03435	36.0
69.29288	11.5
71.04984	4.8
73.02929	7.2
74.25459	1.3
74.72970	1.3
76.78652	1.3
77.28964	1.2
81.03429	23.0
85.02910	100.0
87.00836	45.2
91.03943	2.7
97.02894	30.8
99.04449	9.4
103.36923	1.5
105.01873	62.4
105.07027	8.6
108.04477	2.8
109.02892	26.3
109.33270	1.3
117.01880	2.2
123.04449	1.4
127.03921	72.8
129.01868	5.0
139.03931	12.0
140.04196	7.7
145.04968	37.4
147.02840	1.8
159.02913	14.6
161.05972	2.1
163.03937	10.3
164.04265	5.5
165.05486	1.7
175.07562	1.8
177.03973	1.5
189.03925	3.6
189.09081	1.8
190.09483	2.9
213.03967	1.6
231.05002	24.2
249.06110	7.4
307.76440	1.5
307.80707	1.3
388.16052	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32058	1.4
55.58162	1.4
56.81242	1.5
58.99580	1.7
68.05032	3.1
70.06588	2.6
71.51066	2.5
79.05476	4.4
80.05013	2.3
81.03416	1.5
81.07063	12.7
82.06580	2.1
83.04974	3.6
84.04514	13.4
85.02924	1.6
89.06024	3.3
89.84492	1.3
90.58044	1.4
91.05479	16.0
94.06550	3.5
96.04495	2.7
96.20603	1.4
96.21225	1.3
98.97584	2.1
103.05399	1.6
105.07043	2.0
107.08619	1.9
114.05556	7.4
116.01669	5.9
119.04945	25.9
123.04421	4.6
130.04990	6.1
136.03903	2.2
138.05539	1.7
139.03926	14.4
142.03212	4.7
142.04993	9.3
147.04424	100.0
150.05539	2.6
160.06104	2.9
161.05943	1.7
162.02220	3.1
164.10701	1.9
167.07114	3.0
168.06461	2.1
184.07516	2.1
193.08589	1.7
200.07098	2.4
202.08597	4.8
204.10190	1.7
208.09651	2.3
210.11288	19.2
215.04842	3.3
232.09679	4.0
234.14960	2.2
243.07027	3.3
262.14423	1.8
313.12149	3.5
319.01132	2.7
344.17026	4.5
370.12741	12.8
388.13742	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	387.2016
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
52.61974	0.7
53.03938	2.2
55.01867	2.3
55.05512	9.8
57.03451	3.7
61.02930	4.0
65.05841	0.7
67.05495	2.8
69.03428	11.4
69.07053	1.6
70.06583	1.3
71.04975	3.0
71.50619	1.2
73.02908	1.8
78.04733	1.9
79.05488	3.9
81.03437	4.7
81.07053	3.0
83.04985	19.7
83.08626	0.9
84.08145	1.0
85.02907	25.2
85.91058	0.7
86.09692	1.5
87.04465	3.0
91.05493	4.1
93.07049	3.2
95.01318	1.4
95.04979	5.7
95.08596	2.4
97.02901	9.1
97.06535	0.9
99.04463	5.7
100.11258	0.9
103.05461	0.8
105.07057	2.8
106.04171	1.2
107.04971	1.0
107.08607	6.4
109.02888	4.9
109.06507	3.8
109.10144	3.6
110.58377	0.8
111.04430	0.9
111.08089	2.3
115.03951	1.0
119.08566	1.6
121.06519	2.3
121.10148	3.3
123.04449	5.7
123.08054	8.9
123.11704	2.5
124.05223	1.7
125.05965	0.8
125.09621	5.8
127.03925	5.2
127.11208	0.8
131.08620	1.2
133.06531	0.9
133.10129	1.1
135.04382	1.1
135.08061	0.9
137.05994	1.4
137.09674	0.8
139.03897	1.5
139.11227	0.9
140.14566	0.8
141.01807	0.8
145.04964	3.3
145.10049	0.8
147.04390	2.4
147.08095	1.2
147.11681	1.8
149.05972	1.5
149.09645	6.3
150.54124	0.7
151.03900	1.9
151.07506	2.6
152.04608	1.0
152.08217	0.8
153.05469	1.1
153.09129	2.1
161.09698	1.0
161.13252	1.1
163.03853	1.1
163.11177	1.8
165.09135	1.0
165.12758	4.0
167.07051	100.0
167.10709	2.4
168.07361	2.0
169.08469	0.8
178.74110	0.8
181.08600	1.8
189.12756	2.6
191.07086	1.1
193.08638	2.7
197.11801	2.2
207.13824	4.6
211.09663	3.1
225.11064	3.0
225.14861	30.2
226.15131	1.0
241.03227	1.5
258.03192	0.7
387.16171	15.5
387.20346	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	387.144
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
53.69838	0.9
57.07600	0.9
65.03944	1.9
66.71503	0.9
67.12305	0.9
69.07055	1.1
69.67946	1.0
70.95494	2.1
83.04993	1.3
91.05487	1.3
95.04956	1.0
97.06525	2.7
111.04452	4.2
123.04438	8.0
128.06242	1.4
131.04907	3.5
133.30989	1.0
137.06001	2.0
139.03909	100.0
143.08553	1.3
145.06435	1.4
147.04507	1.2
149.06013	7.4
150.88991	0.9
157.06522	1.8
160.05232	2.2
161.05946	7.2
163.03917	29.0
163.07623	1.2
165.05496	1.5
165.09111	2.6
167.54918	1.0
173.09645	1.6
175.07574	7.9
179.03432	1.6
186.06784	1.2
187.07455	1.5
189.09097	8.3
191.07004	1.7
191.10661	5.0
193.05081	1.3
193.08609	2.7
197.09624	1.2
201.09070	5.4
203.10669	1.7
213.09082	1.3
215.10742	3.1
217.08601	3.0
219.10181	23.0
225.09125	1.5
231.10228	2.8
243.10167	4.5
261.11285	2.8
269.31177	1.1
296.64212	1.1
325.10703	2.3
351.12204	2.4
357.09888	1.0
369.13376	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85323	0.5
55.01868	1.5
65.03915	0.7
67.05499	1.8
67.69293	0.6
68.99783	1.7
69.07069	3.3
69.34663	3.0
69.35087	2.0
79.05495	4.8
83.05006	0.7
93.03406	0.8
95.04961	1.9
96.78750	0.5
97.02870	1.1
97.06538	31.3
105.54237	0.5
111.04456	3.1
117.07035	0.6
118.90526	0.6
119.04951	0.8
123.04438	22.1
123.05343	1.1
123.16739	0.6
127.03955	0.8
131.04933	1.2
133.06519	1.0
134.03610	0.6
135.04478	0.9
137.05965	1.1
139.03912	100.0
143.08545	0.8
145.06470	1.0
147.04424	2.5
149.21097	0.6
153.05469	0.7
161.06018	4.3
163.03897	6.5
175.03943	0.9
175.07553	1.5
181.05042	1.1
187.03937	0.6
189.05600	0.6
189.09067	1.0
201.09117	10.6
217.08588	3.2
219.10173	38.5
220.10576	0.9
221.94618	0.6
231.10184	2.4
234.28964	0.6
243.10197	2.3
249.11195	0.7
259.09732	0.8
261.11310	0.6
285.11230	0.6
301.07291	0.6
369.13409	4.7
405.51785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01858	1.1
55.05521	1.1
56.96558	0.7
57.03425	1.3
61.02909	0.8
65.03938	0.7
69.03429	4.0
70.02953	0.7
70.06577	1.7
71.04989	0.7
71.49744	0.9
72.08139	0.6
74.02448	3.9
74.06991	0.6
74.55808	0.6
79.05492	2.9
81.03428	1.4
81.04543	31.8
81.07060	9.0
83.04975	0.7
85.02899	5.7
88.03972	1.4
89.85640	0.7
91.05471	1.6
92.04988	1.1
95.01311	0.9
97.02874	2.2
105.07045	0.8
107.04970	0.8
109.02863	1.0
110.06044	28.2
116.03471	0.7
119.04974	1.5
123.04391	2.0
125.29066	0.6
127.04001	1.2
127.05043	14.7
127.27690	0.7
134.06015	2.1
137.10745	13.2
139.03880	2.3
143.08189	0.9
145.05049	0.6
147.04391	5.7
149.05980	1.2
161.07118	1.8
163.12302	1.2
167.03384	1.0
167.07048	26.6
169.03435	1.6
177.69635	0.5
179.08374	3.0
179.11804	39.7
180.71327	0.6
185.01291	0.7
191.07031	0.8
193.08583	1.8
195.01057	0.6
207.07619	4.3
207.11098	0.6
211.09546	0.6
223.04378	2.1
225.09030	13.3
225.12344	100.0
226.12636	1.3
241.03110	3.8
241.98640	0.6
258.85211	0.7
267.09940	0.9
297.05905	1.3
387.07025	1.0
387.17294	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	386.16
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
51.84343	0.5
67.36574	0.5
68.99807	1.5
70.06595	100.0
70.86197	1.4
79.05503	0.7
81.07026	0.9
81.24409	0.6
91.05490	1.3
93.07109	0.8
107.04955	0.8
119.04938	2.2
121.06517	2.6
123.04437	12.2
134.79634	0.6
135.04446	1.5
137.06000	0.7
139.04091	0.6
147.04398	7.9
149.06023	3.7
161.06026	0.9
162.54504	0.6
165.05522	3.7
175.07584	0.6
177.05479	52.6
189.05418	0.8
207.06548	1.3
222.00508	0.5
234.11250	4.9
249.65491	0.5
329.10211	10.5
386.16000	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03925	0.3
67.05482	0.2
69.03410	0.8
69.48831	1.6
70.06573	0.5
72.08138	0.4
78.04707	2.1
79.05486	1.5
81.03380	0.3
81.07055	0.7
84.04456	0.2
85.02921	1.5
85.06520	0.2
86.09686	0.5
88.37101	0.2
91.05473	1.3
91.55135	0.2
93.07051	1.0
95.01325	1.4
95.04974	1.6
96.05774	0.2
97.02891	0.4
103.05460	0.6
105.03362	0.3
105.07043	1.4
106.04166	1.8
107.04964	1.8
107.08613	0.4
109.02883	0.3
115.05461	0.2
119.04935	0.3
119.08560	0.3
121.02886	0.2
121.06518	1.7
121.10117	0.3
122.03645	0.3
123.04430	5.1
124.05229	1.9
125.05997	0.3
127.03853	0.3
133.06505	1.1
134.03659	0.3
135.04420	0.3
137.05971	0.4
139.03889	0.3
141.01840	0.4
145.10110	0.4
147.04376	0.5
149.06004	1.6
149.09535	0.2
151.03914	1.4
151.07553	0.8
152.04684	1.4
153.09109	0.3
155.07048	0.3
161.05963	1.3
163.11208	1.4
166.06219	0.3
167.07042	100.0
168.07414	1.2
177.04068	0.3
179.06978	0.3
181.08612	1.4
181.12190	0.3
189.12828	0.2
193.08620	4.1
207.13826	0.7
211.09668	2.7
216.57773	0.2
225.10939	0.5
225.14906	0.3
241.03278	1.3
323.11270	0.3
327.02570	0.2
367.14764	0.2
369.20047	0.2
387.08197	0.4
387.16275	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	386.1599
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
50.18965	0.4
54.03480	0.8
55.04268	0.5
68.99795	0.6
69.48418	3.4
70.06598	100.0
71.06910	0.5
79.05501	0.7
91.05494	1.3
103.05493	0.6
107.04971	0.7
107.08610	0.5
119.04967	2.6
121.06504	1.6
123.04434	16.3
123.05330	0.8
131.04933	0.6
135.04413	1.1
137.05975	1.8
139.03920	3.5
147.03236	0.7
147.04425	12.9
149.06017	3.3
161.06001	1.3
163.03951	2.3
165.05493	5.4
175.07613	0.5
177.05482	36.6
189.05435	0.8
189.09151	1.1
191.07089	0.9
207.06520	2.0
234.11374	1.1
275.37619	0.5
324.51907	0.6
329.10214	13.9
386.16022	31.3
387.16272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.01873	24.7
55.05515	100.0
57.03437	23.2
57.07080	4.4
59.05009	3.1
62.18461	2.4
65.03938	3.9
67.05508	78.9
69.03428	10.6
69.07070	31.4
70.06586	4.8
70.75201	4.1
70.75551	5.1
71.04984	11.3
71.08638	22.5
77.74543	2.8
79.05496	66.5
81.03431	19.9
81.07062	70.7
83.04976	26.1
83.08623	48.3
85.02902	4.3
85.06528	4.5
85.10175	3.1
91.05482	42.8
93.07050	48.7
95.04974	39.6
95.08605	33.7
97.06546	16.8
97.10175	49.5
98.21133	3.7
99.04448	4.5
99.08080	20.7
105.07035	27.1
107.04967	15.0
107.08610	45.3
109.06530	8.8
109.10157	22.8
111.04438	22.6
111.08078	12.5
115.05449	4.6
117.07027	13.3
119.08617	18.7
121.06529	13.4
121.10146	23.9
123.04478	14.8
123.08051	6.7
123.11685	3.5
125.09641	59.8
127.11230	2.6
129.07018	10.1
131.08562	14.8
133.06480	4.8
133.10138	8.6
135.04445	3.8
135.08055	13.6
135.11687	16.5
137.05965	4.2
138.09042	2.6
139.03909	7.4
139.11206	4.4
143.08588	7.7
145.06483	9.1
145.10150	21.0
147.04417	4.2
147.08049	6.9
147.11740	13.2
149.02354	4.7
149.09604	19.7
149.13277	5.5
151.11186	6.1
153.09137	12.7
153.12793	7.6
155.08540	5.0
157.06522	3.0
157.10110	9.1
159.11694	6.2
161.05923	2.9
161.09647	5.2
163.03864	4.4
163.11185	35.1
165.01906	4.4
165.12779	5.8
167.10678	2.9
169.10112	5.5
171.10156	6.4
173.09654	5.7
175.11166	3.8
177.12744	9.4
181.12312	8.4
187.11226	3.6
189.11223	64.8
189.12775	2.4
191.10667	7.6
191.14320	4.4
193.04988	5.2
193.12250	13.8
195.13792	9.7
205.12347	3.1
211.13275	4.8
215.14320	4.0
217.08833	3.9
223.13245	13.1
227.12776	16.8
229.19493	3.2
231.13809	3.4
247.20587	7.3
257.18976	10.5
273.14813	3.2
275.20071	35.9
276.20264	3.2
293.21124	76.2
339.12393	3.8
367.11615	5.0
367.23047	14.0
385.08502	5.3
385.12836	12.2
385.23514	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.0
53.03951	2.4
54.13494	1.0
55.01853	2.8
55.05508	1.6
56.16018	0.9
65.03942	1.9
67.05497	4.8
68.99796	4.4
69.03439	2.1
69.07064	1.2
71.51538	1.6
72.57259	1.0
73.35511	1.0
74.90797	1.0
77.03956	1.1
79.05500	6.4
81.03423	1.8
81.07067	12.3
83.56741	0.9
84.71148	1.0
91.05481	3.4
93.07082	2.3
95.04967	6.1
95.08609	3.4
103.05480	2.3
103.99257	1.1
105.03407	2.1
105.07025	2.0
107.04979	1.8
115.05508	1.3
117.03407	1.3
117.06995	1.8
119.08580	1.5
121.02898	1.4
121.06538	1.9
121.10208	1.1
123.04440	100.0
123.08096	3.9
129.07034	1.6
131.04945	1.8
131.08591	1.7
133.02847	5.4
133.06531	2.5
135.04413	9.3
137.02365	11.3
137.03346	2.2
139.03899	4.7
141.01834	1.0
141.07083	1.6
147.04434	4.1
149.02356	51.8
149.03398	2.9
149.05989	3.5
151.03940	3.5
153.01811	1.4
153.06992	1.5
159.08112	2.3
161.02356	9.9
161.06009	2.0
163.03899	5.1
163.07536	1.4
165.01851	62.8
169.06506	4.0
173.06010	2.1
175.03952	4.0
177.01877	2.2
177.05513	1.5
177.09200	1.7
179.03418	18.6
179.08662	1.3
181.06592	2.3
183.02925	15.4
187.03922	10.9
187.07576	1.9
189.05481	4.0
191.03424	6.4
191.07088	1.8
193.04970	41.3
197.06050	8.2
199.07469	1.7
201.05431	2.4
201.09154	3.8
203.03371	1.3
205.04968	6.6
207.02902	6.0
207.10216	3.9
209.05997	2.4
211.07684	1.3
213.05579	1.4
215.07088	2.2
219.02913	1.6
223.07613	1.7
225.05508	7.3
227.06947	2.2
229.05022	2.1
229.08629	7.3
233.04362	3.9
233.08105	85.4
234.08604	1.2
243.06537	15.8
247.09755	3.8
249.07571	2.1
251.06981	1.2
255.06558	4.0
257.04532	7.8
257.08023	1.2
258.05328	2.5
269.05130	1.1
269.08060	5.3
271.03134	1.7
271.06030	21.9
274.50284	1.1
275.09171	27.9
284.17166	1.4
293.11755	1.9
295.06021	11.2
297.04135	2.2
297.07288	2.1
299.05472	5.1
311.12762	27.8
312.13232	1.3
313.06989	2.6
321.11032	1.3
325.07056	1.5
338.11588	2.2
339.12296	85.2
340.12872	1.8
341.06766	5.2
359.07690	3.7
367.11798	28.4
368.12070	1.2
385.09131	43.5
385.13025	24.4
385.23935	1.7
386.09482	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
51.02367	0.6
53.03937	0.7
55.01872	1.3
55.05503	2.0
65.03946	1.1
65.50477	0.5
67.05508	2.7
68.99791	3.0
69.03429	0.7
69.07076	0.7
69.48543	3.2
71.01347	0.5
77.03929	0.8
79.05499	3.0
81.03407	0.7
81.07056	5.8
83.08617	0.5
85.02908	0.7
91.05476	1.9
93.07040	1.3
95.04982	2.5
95.08604	4.7
96.12918	0.5
97.06544	0.6
105.03394	2.2
105.04452	0.4
105.07044	1.0
107.08624	0.6
109.06487	0.6
109.10160	0.8
115.05489	0.7
117.07001	1.4
119.04943	0.6
119.08578	0.8
119.72913	0.4
121.02836	0.8
121.06498	1.1
121.10163	0.9
121.55062	0.4
123.04432	100.0
124.04772	1.2
129.07036	0.8
131.08559	0.9
133.02856	0.9
133.06441	0.5
135.04407	1.2
135.08031	0.5
137.02377	2.2
137.06003	1.0
139.03908	7.2
141.01796	1.1
141.07021	0.7
145.02832	0.6
147.04411	0.5
147.08023	0.7
149.02362	1.3
149.05991	0.5
151.03909	1.0
153.01729	0.6
155.08554	0.5
157.06532	0.7
159.07988	0.5
161.05977	0.7
163.03934	4.7
163.07579	2.1
165.01843	19.8
165.05478	1.9
165.09149	0.8
167.03374	0.5
169.06479	1.1
173.05991	0.8
175.03929	0.8
175.07547	0.5
177.01836	3.0
177.05402	0.5
179.03493	2.4
179.06953	0.5
183.02902	6.9
187.03947	1.1
187.07570	0.8
189.05499	1.8
191.03365	2.3
193.05006	0.8
193.11922	0.5
195.02992	0.5
197.06010	1.3
201.05537	0.5
201.09254	0.6
203.03409	1.1
203.07045	0.6
205.08644	1.2
207.02928	0.9
207.10164	7.4
215.07094	1.4
225.05615	0.8
229.04909	0.5
229.08760	0.5
231.06528	1.9
231.86517	0.5
233.08084	16.1
241.08714	0.5
241.12506	0.4
243.06488	2.4
249.07574	9.2
251.09302	0.9
256.93900	0.4
257.04468	0.7
257.08252	0.5
268.07208	0.6
269.08069	1.1
271.06027	3.2
299.05478	3.1
311.12808	3.9
317.06564	2.6
325.07089	0.7
339.12256	19.8
339.16385	1.0
367.11765	11.1
367.16138	0.7
367.22498	0.6
385.12909	3.8
385.23639	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61729	1.7
55.01872	3.6
56.96574	2.0
58.08576	1.8
70.06602	4.8
71.50069	2.6
79.05499	8.1
79.60201	1.8
81.03413	2.0
85.02911	4.9
91.05482	5.3
95.01396	2.0
95.04996	3.2
97.02911	3.7
98.97592	1.9
103.05462	8.9
105.07037	65.0
107.04998	2.3
115.05476	14.9
117.07018	2.5
117.75298	1.8
118.04144	4.8
119.04981	3.2
123.04464	8.1
131.04947	6.3
133.06499	61.8
134.02711	4.3
136.06206	7.3
140.04695	2.0
143.04942	2.7
143.06076	4.1
145.06505	5.8
147.04425	7.5
151.03908	2.6
155.07069	3.8
157.06490	2.0
159.04526	2.1
160.05257	1.9
161.05998	100.0
162.06412	2.8
162.07797	2.2
167.07040	28.9
171.04379	2.0
173.06017	5.1
175.03946	4.8
175.07500	1.9
177.05446	3.6
179.03444	4.4
179.07101	2.0
181.04991	3.4
183.06505	3.5
189.05579	3.9
190.06258	3.3
193.08626	64.4
201.05467	4.1
203.07137	2.9
205.08711	3.4
207.06575	7.8
211.53621	2.0
216.04086	1.9
219.06511	4.3
221.08188	2.7
229.05000	2.0
230.05669	2.5
231.06480	5.7
233.04463	6.2
233.08153	4.3
235.06192	2.0
245.08118	3.4
251.09145	23.5
252.07242	5.3
253.07623	10.7
259.05829	2.4
261.07599	10.3
263.09207	4.3
275.08881	2.2
287.08960	1.9
289.07144	3.2
293.10248	4.5
307.08051	3.9
385.11725	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	385.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35617	1.6
57.03448	3.2
68.25307	1.9
69.03425	10.7
70.06598	5.7
71.40089	1.9
71.50020	3.3
81.03422	5.8
82.99880	6.1
85.02904	14.3
86.99369	2.2
87.04478	4.8
88.02242	5.1
89.03880	2.3
91.05479	3.9
97.02909	16.2
98.97601	2.4
101.00887	38.1
105.07008	2.7
109.02882	6.0
109.07597	2.3
111.21934	2.0
113.00883	7.7
115.02457	2.4
119.01937	61.4
121.06426	1.8
127.02447	3.9
127.03910	3.2
131.01913	21.5
133.03552	2.8
133.04950	2.6
133.06499	2.3
134.02719	3.4
136.06197	8.8
137.00850	3.1
137.02968	7.9
139.02417	2.3
143.01907	30.8
145.03471	22.7
147.04396	4.2
155.01924	28.5
157.03461	11.9
159.01457	2.7
161.02980	75.3
161.05971	7.6
162.02927	2.0
166.01151	2.4
167.01895	6.3
167.07071	3.2
173.02962	21.4
175.04507	5.1
175.08727	2.9
177.05524	2.8
179.01945	10.9
183.01445	2.6
184.02193	38.4
185.02963	29.9
187.04536	6.4
191.04036	3.9
193.08684	3.8
197.02979	38.6
202.03191	10.4
203.04077	15.8
208.02235	9.0
209.02867	3.3
211.04584	2.6
215.04063	7.2
220.02332	3.6
221.03157	2.8
221.05013	11.1
222.09464	2.4
223.04529	6.9
226.03265	15.8
227.03996	5.9
231.06879	2.2
232.02209	5.4
235.04492	2.8
238.03255	3.9
239.03963	2.6
240.04744	2.7
241.05618	14.5
244.02135	4.9
244.04399	5.3
245.05099	100.0
246.05478	2.6
247.04506	2.0
250.03358	13.5
252.04935	2.4
253.05617	8.1
262.03253	13.1
263.06189	19.3
265.05591	11.3
272.46640	2.3
277.05576	5.7
283.06625	8.3
294.32361	2.3
295.06906	2.8
310.05368	69.2
325.07675	34.8
343.08780	10.7
385.09860	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.6
61.02916	0.6
68.05099	0.4
69.03420	1.7
70.06601	0.5
71.04974	0.4
71.50554	0.6
74.50156	0.4
81.03432	1.0
82.98589	0.4
85.02906	3.6
97.02892	1.7
107.23450	0.5
119.04951	0.9
120.04465	3.6
122.30514	0.4
127.03922	0.6
145.04968	0.5
147.04416	1.9
148.03928	21.9
149.05070	0.6
176.03482	1.4
194.04504	58.7
195.04861	0.5
222.03984	100.0
223.04367	1.2
238.05305	0.8
384.09293	2.7
407.10577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93555	0.5
59.61823	0.5
61.83102	0.5
68.23065	0.4
71.49757	0.8
81.21124	0.5
82.73057	0.4
82.99831	0.6
98.97580	5.4
101.00891	3.4
116.98631	3.2
119.01920	5.3
135.75586	0.5
137.02972	0.7
158.99838	2.0
166.81198	0.6
177.00964	12.2
178.00928	0.6
182.99948	0.7
201.00948	3.6
217.04059	3.2
219.02016	23.2
220.02194	1.2
225.00792	3.0
240.98642	0.6
242.99521	0.6
243.02022	11.7
244.02161	0.8
258.99887	4.4
259.99921	0.6
261.00143	4.0
261.03079	100.0
262.03159	4.2
263.03134	0.8
276.98196	0.5
277.00790	2.3
278.00934	1.1
279.00726	2.9
283.00049	5.1
283.99997	0.9
284.04709	1.2
284.99792	4.2
301.01062	6.3
302.01093	0.5
303.00830	3.6
325.01065	0.6
343.02081	2.6
344.02573	0.5
361.00711	1.1
367.02078	2.3
385.03329	18.0
386.03394	1.4
403.00162	0.8
403.04813	14.6
404.04581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.05521	22.1
57.07080	20.7
57.07308	3.9
67.05506	50.3
69.07066	29.5
69.17009	4.7
69.17408	36.3
71.08624	20.7
76.94166	4.2
79.05482	19.7
81.07055	66.8
83.08636	24.0
85.10185	11.3
91.05470	20.6
93.07038	37.4
95.08606	67.4
97.10155	16.7
98.21561	5.9
105.07033	37.3
107.08599	24.4
109.10164	53.3
111.11734	9.1
119.08585	35.1
121.10117	22.6
123.11726	17.6
131.08595	4.9
133.10118	31.3
135.11707	47.9
137.13246	8.1
145.10080	9.8
147.11682	69.6
149.13283	17.9
151.14799	4.3
159.11723	4.8
161.13258	44.4
163.14798	7.5
173.13255	4.7
175.14824	13.4
189.16426	8.5
203.17949	12.6
215.17938	10.1
229.19460	9.4
247.24133	4.8
257.22726	5.5
273.25482	4.5
301.28937	8.4
383.36743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	9.0
55.05515	19.6
55.74669	2.9
57.03441	3.3
57.07074	12.8
59.04992	7.1
65.03931	5.3
67.05508	44.5
69.03438	18.8
69.07059	7.2
69.27481	27.6
71.04981	8.6
79.05501	38.9
81.03416	3.4
81.07066	43.4
83.04987	8.4
83.08631	3.2
85.06539	3.2
85.72006	2.7
91.05478	60.9
93.07050	100.0
93.07639	5.0
95.04965	27.1
95.08042	4.6
95.08613	38.8
97.06518	13.9
105.07036	76.7
105.07612	2.7
107.04971	3.7
107.08595	46.3
107.55181	2.7
109.06512	24.2
109.10149	27.4
111.08074	8.6
115.05431	3.8
117.07014	15.7
119.08583	65.9
120.09436	3.9
121.06507	15.2
121.10157	52.8
123.08077	30.3
125.09658	3.1
128.06227	14.4
129.06999	12.9
130.07791	4.6
131.08580	36.0
133.06497	11.7
133.10146	30.5
135.08069	30.1
135.11667	3.1
137.05981	4.7
137.09634	11.2
141.06981	5.9
142.07782	21.2
143.08568	30.0
144.09314	3.1
145.06462	4.6
145.10132	39.4
146.07365	4.1
147.08069	31.6
147.11700	12.2
148.08853	3.7
149.09607	31.8
151.07542	44.5
155.08594	8.2
156.09340	12.1
157.10162	50.4
158.07402	2.8
159.08041	12.2
159.11717	18.5
161.09668	19.4
161.13300	7.7
163.11224	6.7
164.80644	2.9
165.09129	57.1
168.09335	4.1
169.10130	9.2
170.10916	4.7
171.11734	9.3
173.09671	9.9
173.11838	6.0
173.13286	11.2
175.11206	19.9
175.14755	7.2
177.09148	15.5
178.09856	3.6
179.10652	4.1
181.10104	3.6
183.11717	7.3
185.09583	4.8
185.13292	18.8
187.11241	6.4
189.12744	13.5
193.10072	4.6
194.11026	4.0
195.11629	6.2
197.09692	3.3
197.13216	7.9
199.11235	4.3
200.11958	3.2
201.12781	11.5
203.14337	36.1
207.11897	4.8
207.13861	10.5
209.15372	5.7
213.12709	5.6
215.14388	3.9
219.13841	11.4
221.13428	5.2
221.15372	92.7
223.11337	4.4
225.12730	3.8
228.45726	3.2
231.13768	5.0
233.15373	8.7
234.16159	18.8
237.16859	3.6
282.99753	3.7
286.19214	10.0
287.20013	8.1
299.20056	9.4
303.19586	10.2
328.41422	3.6
365.24942	14.8
383.25833	71.6
384.25986	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03946	6.0
55.01868	5.0
55.05523	15.9
57.03433	2.9
57.07071	11.4
59.05001	6.6
65.03966	4.2
67.05511	52.0
69.03423	12.0
69.07053	7.8
71.04984	5.5
79.05500	37.9
81.07064	41.3
83.04983	11.2
83.08608	7.7
85.06545	4.5
91.05480	36.2
93.07051	100.0
93.56316	3.2
95.04977	25.4
95.08614	41.1
97.06522	15.0
105.07047	78.7
107.08607	44.9
109.02518	3.2
109.06544	24.2
109.10176	41.8
111.08083	11.0
115.22213	3.6
117.07020	12.1
119.08588	64.6
120.09373	3.1
121.06519	11.6
121.10156	37.1
123.08076	29.3
123.11744	4.9
128.06192	4.8
129.07011	9.5
130.07784	6.9
131.08582	31.8
133.06493	8.2
133.10123	25.9
135.08051	19.7
135.11636	4.7
137.09615	9.2
141.07048	4.6
142.07823	19.4
143.08559	25.7
144.09372	7.5
145.10117	36.5
147.08069	24.1
147.11708	18.3
149.09639	30.2
151.07552	38.8
153.09109	3.2
155.08566	8.2
155.10655	3.1
156.09328	7.2
157.10158	42.2
159.08080	8.0
159.11732	20.7
161.09634	22.1
161.13277	3.7
163.11206	12.2
165.09143	45.6
169.10147	7.7
170.10942	6.3
171.11702	12.8
173.09662	11.1
173.11694	10.0
173.13271	11.9
175.11194	17.5
175.14882	8.0
177.09117	14.8
181.10152	5.6
181.12231	6.3
182.10966	4.1
185.09666	4.2
185.13266	19.8
187.11194	6.1
187.14845	4.6
189.12749	12.1
191.14337	4.1
195.11742	4.7
197.13168	7.7
201.12703	9.2
203.14325	28.7
207.13850	10.2
209.13351	5.9
209.15257	5.2
213.12770	4.0
215.14334	8.1
219.13834	4.5
221.13281	2.6
221.15381	62.1
223.14943	5.1
227.14348	9.3
233.15396	9.1
234.16115	15.1
243.14006	4.4
268.08871	3.9
286.19391	6.0
287.20044	6.6
299.20007	4.0
303.19736	6.8
347.23804	4.4
365.24817	11.4
383.25900	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.05518	17.0
55.97826	3.1
57.03440	5.5
57.07084	17.9
59.05007	4.7
59.73285	3.5
65.03960	4.3
66.04726	3.8
67.05509	73.5
69.03439	17.1
69.07069	14.8
69.42080	3.3
71.04996	11.5
71.50911	5.8
79.05486	35.9
81.07056	44.8
83.04997	8.3
83.08638	5.4
85.06542	9.9
89.06015	3.9
91.05486	56.6
93.07043	100.0
95.04982	30.6
95.08601	44.6
97.06542	13.4
105.04502	4.3
105.07031	89.3
107.08585	51.2
109.06521	34.3
109.10150	48.3
111.08057	8.0
115.68262	3.5
117.07027	12.5
119.08584	61.1
120.09370	6.5
121.06512	23.1
121.10153	40.4
122.07296	4.4
123.08075	27.9
123.11707	3.7
125.09647	5.5
128.06248	7.9
129.07008	15.1
130.07788	3.6
131.08574	33.4
132.49149	3.4
133.06502	8.0
133.10139	32.3
134.07352	3.6
135.08049	29.3
135.11708	7.0
137.06046	3.6
137.09627	13.1
141.91974	3.5
142.07805	18.5
143.08557	26.4
144.09399	5.1
145.10129	41.0
146.07280	3.4
147.08044	31.0
147.11711	18.1
147.46587	3.5
148.08875	4.9
149.09624	29.2
151.07547	42.9
153.09181	4.2
155.08542	7.3
156.09348	8.9
157.10143	43.0
159.08086	10.0
159.11722	18.6
161.09651	25.3
161.13254	9.6
163.11165	6.9
165.09138	54.1
167.08539	7.0
169.10112	9.2
170.10909	4.2
171.08047	5.3
171.11694	14.3
173.09648	9.9
173.11746	10.6
173.13251	13.7
175.11212	22.9
175.14819	9.9
177.09125	16.0
181.10085	4.4
183.11624	6.1
185.13301	18.4
187.11182	11.4
187.14838	3.8
189.12752	12.3
195.11673	10.2
197.13332	8.4
199.11078	4.0
199.14812	3.9
200.31522	3.6
201.12755	10.5
203.14273	31.2
207.11842	4.2
207.13818	13.6
209.13419	8.2
213.12788	5.5
215.14362	6.9
217.12164	4.2
219.13737	8.9
221.13582	3.2
221.15375	84.1
227.14244	4.7
231.13953	4.7
233.15401	9.8
234.16180	12.5
243.13812	4.7
281.19263	4.7
286.19327	4.9
287.20123	6.9
299.19904	7.5
303.19559	8.8
365.24622	18.3
383.25827	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.7
55.01873	14.1
55.05513	19.1
56.96546	5.1
57.01426	3.3
57.03428	15.0
57.51060	3.5
61.02925	14.0
62.93563	3.7
67.05504	46.2
68.99778	4.4
69.03432	42.9
69.07070	21.0
70.06583	9.9
70.79268	8.4
70.79638	6.8
71.04995	16.4
73.02915	6.9
76.67226	3.5
77.61863	3.4
77.89300	3.6
79.05492	41.9
80.95565	4.1
81.03428	27.6
81.07066	69.7
83.04986	15.1
83.08620	10.5
85.02915	71.2
91.05473	32.2
93.07047	59.8
95.04967	13.6
95.08604	69.2
97.02907	33.0
97.06539	64.7
97.10184	5.5
99.04471	5.0
99.08076	5.0
103.73164	3.5
105.07034	56.4
107.04949	8.8
107.08596	45.8
109.02892	12.4
109.06543	8.0
109.10168	40.2
109.89358	4.0
111.04438	6.5
111.08092	10.8
115.05449	7.1
117.07033	12.2
117.11488	4.5
119.08588	65.6
121.02901	7.2
121.06517	8.1
121.10139	24.4
123.04434	13.6
123.08064	13.3
123.11726	13.4
125.09623	10.4
127.03931	19.0
128.06268	4.4
129.07025	8.4
131.08554	19.5
133.06479	4.1
133.10124	26.3
135.08101	6.3
135.11707	10.4
137.05983	7.4
137.09605	11.7
139.03905	11.1
141.06944	4.5
142.07784	7.8
143.08632	15.3
145.04932	4.5
145.06555	10.4
145.10184	21.9
147.04411	9.4
147.08008	6.5
147.11678	34.3
149.02347	26.5
149.13307	12.8
153.01839	16.0
155.08514	5.5
157.06453	7.9
157.10097	20.5
159.07996	6.4
159.11758	20.9
161.13269	16.3
163.03949	4.9
163.11249	7.6
163.14812	38.9
165.12781	8.4
169.10066	5.0
171.08110	4.3
171.11658	7.7
173.06021	6.0
173.13251	6.0
175.03862	5.4
175.07640	5.5
175.11186	6.1
175.14845	11.1
181.06551	5.0
183.11739	4.8
185.06042	5.4
185.13243	7.3
187.03937	6.8
187.14830	6.1
189.09167	8.6
201.09154	6.7
201.16476	6.9
202.06235	8.0
203.14362	4.6
203.17947	39.7
207.11646	4.2
213.05530	7.5
215.07089	11.5
217.08578	48.9
219.08118	8.4
219.10176	9.7
219.17540	7.3
221.15396	6.3
221.19008	48.7
229.04906	4.7
229.08713	8.4
231.06552	13.0
231.17589	4.4
233.19164	5.7
237.09064	4.5
245.08084	62.2
245.19028	7.5
247.07722	7.1
248.08331	9.1
269.04401	7.0
276.07861	4.7
277.08508	7.7
283.05887	5.7
291.10028	9.5
291.19577	4.8
292.07208	4.4
293.08035	7.5
295.06354	4.7
297.03903	11.2
299.09067	9.8
307.09549	5.6
307.41739	4.7
309.11127	5.1
311.09308	6.5
319.09717	6.9
321.07428	4.6
323.12463	5.7
327.12292	16.5
336.10193	4.9
337.10693	13.0
339.08652	11.9
347.22137	6.9
351.08542	4.4
351.12366	22.5
353.10315	6.6
355.11789	57.0
365.23395	8.3
368.12579	11.7
383.11218	100.0
383.15085	36.4
383.20419	5.1
383.21594	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01865	3.0
55.05299	1.3
55.05517	12.0
56.18699	1.1
57.03438	7.9
58.56899	1.3
59.04994	3.3
65.03938	3.7
67.05511	100.0
67.72541	1.2
68.05850	1.3
69.07065	5.0
69.51870	5.4
69.52301	3.9
70.06620	1.7
71.04997	4.3
73.77234	1.3
79.05501	11.7
81.03455	1.2
81.07061	23.0
83.04951	2.0
83.08612	8.7
85.02924	1.2
85.06545	8.2
91.05486	13.0
93.07040	11.3
95.04971	9.5
95.08615	12.5
97.06554	2.1
97.10166	2.3
105.07041	5.0
107.04968	2.8
107.08607	6.9
109.06537	9.4
109.10164	72.7
111.08104	4.0
113.06017	12.9
116.14326	1.5
117.07036	2.9
119.08585	9.0
121.06511	2.8
121.10167	2.1
123.08060	2.4
123.11733	1.6
125.09633	3.4
127.11206	1.2
129.07007	2.0
131.08572	4.9
133.06511	1.4
133.10143	4.6
135.08067	7.7
135.11707	2.0
137.09625	4.6
139.34593	1.5
142.41570	1.3
143.08553	2.0
145.10172	3.3
147.04466	1.5
147.08034	1.9
149.09607	1.6
155.10652	2.8
157.10083	1.8
159.08157	1.2
159.11713	1.9
161.09608	2.4
163.11197	1.2
173.11755	20.7
173.13219	2.2
173.51741	1.2
175.11166	1.5
189.11197	2.0
217.16068	2.8
231.10194	2.1
247.07623	2.0
248.08301	1.7
254.61089	1.3
273.18436	5.9
283.52628	1.5
291.10233	3.0
291.19580	12.4
293.08109	1.4
305.08112	1.8
307.09293	1.4
322.08170	1.3
323.12625	1.4
347.22040	1.4
351.12494	5.7
353.09875	2.3
365.23239	2.2
368.12354	3.3
383.14838	14.5
383.24387	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.8
55.01855	16.0
55.05519	23.3
55.05745	5.8
56.96550	7.9
57.03446	23.3
59.04997	6.4
61.02919	15.4
63.68274	3.5
67.05511	55.5
68.99779	5.6
69.03436	39.5
69.07085	28.2
70.06578	11.3
71.04976	12.6
71.51131	4.4
73.02906	13.2
79.05080	3.7
79.05501	47.4
81.03417	30.4
81.07059	78.1
83.04972	10.5
83.08601	11.6
85.02911	100.0
85.06531	5.2
87.04482	6.2
91.03947	6.4
91.05498	27.3
93.07046	50.5
95.04961	13.8
95.08624	59.4
97.02906	33.7
97.06541	96.6
97.10149	8.0
99.04474	6.3
99.08071	7.8
100.11228	3.7
101.02365	6.6
103.05531	4.6
105.07047	46.1
107.04960	8.6
107.08615	53.6
109.02885	12.0
109.06531	6.0
109.10157	42.2
111.00868	4.2
111.04427	9.5
111.08085	7.9
111.37715	3.4
114.10271	3.9
117.06993	8.0
119.08581	48.7
121.02873	9.9
121.06495	11.1
121.10149	25.4
123.04453	12.2
123.08067	10.8
123.11703	10.0
125.09615	7.9
127.03922	23.9
128.06207	5.0
129.07016	9.4
131.08545	21.2
133.10153	26.2
135.08038	6.9
135.11714	16.9
137.05974	6.2
137.09631	5.8
139.03877	14.8
143.08583	5.5
145.04935	14.4
145.06538	3.4
145.10156	17.6
146.06000	14.9
147.04428	4.6
147.08049	4.6
147.11705	34.2
149.02350	49.4
149.09618	8.1
149.13245	11.8
150.02705	8.9
151.11206	6.1
152.14328	11.1
153.01808	16.2
153.06914	5.6
157.06465	4.1
157.10095	9.6
159.11737	12.5
161.09579	4.9
161.13237	17.5
163.07567	6.2
163.11058	4.0
163.14832	42.6
165.12779	8.9
169.10107	4.4
171.08061	5.3
171.11664	7.5
173.09622	4.5
173.11795	5.3
173.13301	4.2
175.03931	8.5
175.11139	6.6
175.14839	11.9
185.13255	3.6
187.14877	4.7
188.07066	6.1
189.11191	7.5
193.04999	19.0
193.12234	11.1
194.05307	23.8
201.16312	7.8
203.03404	5.7
203.14339	9.3
203.17947	48.2
213.05400	7.8
215.07024	6.7
219.08034	3.6
219.17526	5.7
221.15475	4.4
221.18994	55.1
229.04898	9.5
231.06461	19.4
233.18890	3.9
241.05005	6.2
241.07399	7.8
255.06462	5.2
257.04556	7.2
259.06046	5.2
259.08505	9.8
260.08948	6.1
267.09143	10.1
268.09302	6.4
269.04578	5.9
273.18512	10.5
283.05896	4.9
285.03918	5.2
285.10141	14.1
287.05484	4.2
291.19510	15.2
297.03983	12.3
299.09015	8.7
311.09109	8.1
319.09265	4.0
327.12387	17.0
329.20963	4.4
335.64594	4.7
339.08606	14.4
347.22186	7.3
351.12091	6.1
353.10608	5.7
355.11700	64.8
383.09003	19.1
383.15060	8.9
383.22351	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78082	5.4
53.03947	10.5
53.62269	5.5
55.01876	28.4
55.05514	38.7
57.03433	24.0
57.07072	10.2
59.04995	6.0
60.70528	5.7
67.05507	53.0
68.99804	13.6
69.03435	49.1
69.07079	37.4
70.06590	13.0
71.01357	7.7
71.05007	35.8
71.17805	11.8
72.09038	6.7
73.02930	11.2
79.05489	55.3
81.03444	32.9
81.07063	100.0
83.04992	18.3
83.08626	24.6
85.02907	42.6
87.04443	11.1
90.09245	5.6
91.05480	54.6
93.07043	69.2
95.04961	30.4
95.08616	87.1
96.90011	6.7
97.02885	34.3
97.06532	48.0
99.04465	6.3
99.08099	13.5
100.11257	6.2
103.03954	11.1
103.05449	7.8
105.07035	79.4
105.12218	6.1
107.04956	19.9
107.08611	71.6
109.02856	13.7
109.06548	16.6
109.10158	57.5
111.04439	15.3
111.08085	13.0
115.03913	7.9
115.05435	9.1
117.07026	27.3
119.04920	6.7
119.08588	83.7
121.02865	9.1
121.06535	17.0
121.10162	50.5
123.04442	78.9
123.08070	21.6
123.11687	32.6
125.09622	12.8
127.03912	9.3
127.07605	6.7
127.11199	18.9
128.06229	6.1
129.06999	14.4
130.07729	7.5
131.04997	9.4
131.08575	30.2
133.04991	8.7
133.10150	64.7
135.08092	14.2
135.11725	42.0
137.05917	15.2
137.09650	21.2
137.13361	6.0
139.07547	6.7
141.06976	10.8
141.12794	6.0
143.08574	25.5
145.06491	14.9
145.10117	48.3
147.04413	20.3
147.08070	13.7
147.11726	55.2
149.02365	42.7
149.09618	18.4
149.13290	8.0
151.11188	20.7
153.01842	60.9
153.05536	5.7
155.08559	12.8
157.06525	8.3
157.10153	50.9
159.08061	12.5
159.11722	48.0
161.09644	8.6
161.13293	18.2
163.03935	10.9
163.11195	19.8
169.10135	12.8
171.08008	10.4
171.11734	24.0
173.09639	13.0
173.13280	18.8
175.11154	15.3
175.14868	23.1
177.12772	12.9
181.10202	9.6
182.15298	7.3
183.11734	14.1
185.05969	8.1
185.09586	7.8
185.13234	15.8
187.03926	17.5
187.14839	11.0
188.04669	14.1
189.05434	10.4
189.09181	11.5
189.16415	15.9
191.14301	8.8
193.15913	10.1
195.11662	8.7
197.09650	6.8
197.13298	10.4
201.09102	26.1
201.12828	9.3
201.16403	11.3
203.14383	11.6
203.18011	21.7
221.15428	10.7
221.19081	15.2
229.08612	13.8
231.06506	21.1
231.10229	21.4
231.17390	7.9
233.11711	12.6
233.19151	21.0
245.18967	8.9
253.08768	6.8
255.06541	8.0
261.14963	9.9
269.04318	8.0
297.04004	13.1
299.20154	7.4
311.19867	9.6
324.15225	6.8
327.12189	16.9
329.21170	12.6
337.10623	13.4
339.08701	16.5
347.22125	18.7
355.11774	50.7
365.10037	12.6
365.23178	14.4
383.10889	36.6
383.15305	60.7
383.24274	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01878	18.5
55.05276	3.8
55.05517	58.7
55.78110	1.9
57.03448	22.4
59.04982	3.0
61.78897	1.8
65.03937	3.9
67.05511	84.7
68.99792	3.3
69.03413	6.4
69.07072	35.8
70.06611	2.4
71.04996	7.7
71.13030	4.0
71.13358	2.4
72.93782	4.1
79.05500	73.3
81.03417	17.3
81.07066	100.0
83.04990	20.1
83.08628	23.7
83.39165	2.0
85.02907	9.0
85.06546	4.7
91.05487	35.6
93.07051	48.6
95.04987	19.2
95.08616	36.2
97.02916	3.6
97.06537	52.6
97.10178	37.9
99.04465	4.2
99.08098	2.6
101.82165	2.3
101.84798	2.0
102.59404	1.9
105.07034	31.3
107.04958	9.9
107.08597	34.5
109.06561	11.9
109.10168	42.8
111.04449	22.2
111.08103	12.0
113.06036	3.3
115.05476	3.3
117.07024	17.5
119.08595	25.0
121.02845	4.0
121.06536	11.5
121.10148	20.3
123.04402	5.4
123.08086	39.6
123.11742	2.6
125.05993	2.4
125.09642	46.9
129.06998	6.3
131.08586	14.4
133.06528	4.0
133.10147	11.5
135.08058	10.8
135.11673	13.0
137.09653	11.0
139.03896	3.4
142.07796	3.5
143.08563	4.7
143.10658	4.2
145.06490	3.3
145.10165	15.9
147.08054	9.0
147.11703	8.7
149.02354	22.3
149.09659	9.9
149.13263	3.6
153.01828	6.3
153.09109	5.8
153.12740	9.2
155.08566	4.0
155.10590	3.0
157.06531	3.2
157.10098	7.8
159.08066	2.7
159.11687	5.2
161.09621	6.2
163.03926	4.0
163.11198	27.8
165.09126	7.5
171.10165	3.0
171.11678	3.1
173.05971	2.8
173.09616	4.3
173.11736	7.9
175.11163	3.7
177.12766	2.3
179.10785	2.2
181.12221	12.9
185.06020	3.2
189.01857	5.3
189.11240	49.6
189.12904	3.4
191.10658	8.9
193.12312	11.5
203.03461	2.4
213.05443	5.6
223.13318	5.7
227.12767	17.1
227.17871	4.2
229.05093	6.9
231.06453	14.4
234.39465	2.3
241.05031	2.7
245.19000	2.5
255.06587	4.4
255.17409	3.1
257.04501	4.5
259.06088	5.0
267.06741	11.5
269.04501	4.8
273.18515	25.0
276.07639	2.1
283.05878	3.3
285.07852	6.9
287.05408	2.6
291.19537	47.2
297.04013	10.3
299.09122	8.7
311.09070	4.8
318.97632	2.4
323.12479	2.1
327.12439	9.7
339.08670	6.3
347.13116	3.1
347.22263	3.0
355.11823	38.7
365.14142	3.4
365.22980	6.6
383.11111	8.7
383.14926	6.6
383.24490	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.5
55.01867	20.7
55.05505	30.4
57.03450	24.2
57.07070	6.2
61.02922	7.9
64.37512	4.3
65.03944	4.8
67.05511	57.6
69.03434	44.1
69.07070	26.9
70.06586	10.3
71.01350	5.2
71.04998	36.6
71.18347	10.0
73.02906	15.6
79.05495	46.9
81.03422	29.1
81.06599	6.0
81.07061	100.0
83.04979	9.5
83.08610	14.4
85.02901	42.2
85.06547	6.4
87.04456	7.7
91.05474	49.2
93.07051	65.5
95.04977	29.0
95.08609	80.1
97.02901	28.7
97.06543	28.3
97.10152	8.8
98.16902	5.3
99.04442	8.0
99.08102	5.9
103.03947	12.8
103.05473	5.8
103.33807	4.9
105.07039	96.4
107.04926	10.1
107.08609	73.9
109.02869	12.4
109.06513	25.4
109.10165	57.2
111.04440	13.8
111.08088	12.1
115.03928	9.2
115.05448	8.0
117.07022	19.0
119.04957	6.6
119.08592	89.4
121.06512	17.5
121.10138	48.5
123.04435	75.3
123.08080	17.1
123.11693	34.2
125.06010	5.0
125.09632	7.7
127.03909	10.7
127.11220	14.5
128.06226	6.6
129.05502	8.4
129.07019	10.8
131.08556	37.1
133.04999	13.9
133.10120	49.7
135.08051	13.2
135.11679	37.7
137.05977	14.1
137.09613	20.9
137.13271	6.1
139.03905	6.3
139.07497	5.4
139.11185	7.9
141.06981	7.0
142.07817	14.4
143.08556	21.7
145.06519	9.4
145.10121	52.2
147.04405	18.3
147.08084	14.1
147.11688	48.1
149.02367	19.2
149.09650	13.8
149.13272	18.2
151.03958	5.2
151.11201	9.1
153.01842	29.0
153.12758	7.1
155.08578	11.0
156.09325	8.1
157.09000	5.7
157.10120	34.5
159.08090	6.1
159.11702	56.0
160.05176	8.1
161.06010	6.2
161.09618	9.8
161.13231	22.8
163.07565	7.8
163.11171	20.3
163.14893	9.0
165.05458	5.8
165.06927	4.7
165.12723	9.2
169.10152	12.8
171.11732	27.9
173.05940	6.7
173.09662	10.5
173.13292	20.1
175.11183	11.1
175.14832	12.5
177.09123	11.2
177.12679	10.3
177.16389	10.0
181.10156	6.8
183.11632	11.2
185.13225	10.3
187.03897	14.7
187.11194	7.4
187.14883	8.9
188.04626	12.9
189.05434	15.2
189.12706	11.8
189.16440	10.3
191.14339	9.5
193.08607	5.5
195.11690	8.0
197.09557	6.4
197.13228	9.1
201.09163	9.7
201.12752	12.0
201.16455	10.5
203.06987	5.5
203.14372	9.9
203.17953	21.8
205.15845	6.1
211.14888	6.7
213.05473	5.3
213.12727	8.8
215.17940	8.5
217.08638	7.1
219.10095	7.9
219.17422	10.5
221.19025	9.4
225.12840	8.9
229.08633	7.6
231.06522	12.9
231.10025	24.9
231.13863	5.9
231.17430	5.7
233.11646	10.8
233.19006	21.0
241.15808	6.6
243.14018	6.2
243.17444	8.6
245.19064	15.2
247.07765	5.5
248.08218	6.8
263.20102	6.4
276.07959	4.9
281.08127	5.7
291.10199	7.4
311.05627	7.1
327.12314	11.8
329.21057	12.7
337.10550	10.6
339.08615	11.6
347.22037	8.8
355.11847	22.4
365.10126	11.5
365.23141	13.8
383.10226	23.7
383.15347	59.6
383.24634	32.8
397.27759	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01869	5.2
55.05517	20.8
57.03427	6.0
59.04992	3.1
65.03927	2.6
67.05508	100.0
67.61541	2.1
69.07076	12.8
69.15143	6.2
69.15572	16.6
71.04996	4.7
79.05485	20.4
81.03431	3.1
81.07062	39.0
83.04967	5.7
83.08616	9.4
85.02922	3.2
85.06551	5.0
89.70777	1.9
91.05487	26.0
93.07037	20.9
95.04971	7.6
95.08607	18.1
97.02962	2.3
97.06541	4.4
97.10188	6.1
105.07036	19.1
107.04970	7.0
107.08608	16.6
109.06544	4.6
109.10162	74.1
111.08080	4.3
115.05472	2.1
117.07047	6.5
118.03642	1.9
119.08588	17.1
121.06506	3.1
121.10126	4.9
123.08046	5.8
123.11723	2.8
125.09649	4.0
129.06969	2.5
131.08589	10.5
132.33672	2.1
133.06461	5.2
133.10150	14.7
135.08055	5.9
135.11703	2.6
137.09621	4.3
143.08533	2.5
145.10146	6.7
147.08061	5.6
147.11699	5.7
149.09673	6.6
151.11188	6.8
155.10733	3.6
157.10074	3.1
159.11720	2.0
161.09639	5.7
171.11684	2.5
173.11754	19.0
175.11241	4.1
177.09122	3.4
178.77074	1.9
189.11223	3.4
198.26190	2.5
211.13364	2.4
223.13248	4.4
229.36372	2.0
245.18993	3.2
253.14334	3.0
255.17491	2.0
263.19980	4.4
271.15277	2.3
273.18512	17.0
291.16528	3.8
291.19553	35.1
330.04340	2.2
365.23291	28.2
383.24304	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98072	2.5
53.03942	4.7
55.01876	7.1
55.05515	11.3
56.05035	10.7
57.03442	6.2
57.07084	3.1
60.04515	6.4
61.02929	2.7
64.68559	2.6
67.05504	16.0
68.99805	5.3
69.03433	33.1
69.07067	6.3
70.06598	52.8
71.04995	17.3
71.51073	4.9
72.04508	2.3
72.08144	6.6
73.02892	2.9
79.05508	11.7
81.03437	21.5
81.07046	17.4
82.06584	9.3
83.04984	6.4
84.08153	14.7
85.02910	16.5
85.06553	17.1
87.00836	8.4
88.03947	2.5
91.05482	18.7
91.54932	2.3
93.07043	19.8
94.06591	2.6
95.04958	7.5
95.08592	6.8
97.02906	11.3
97.06528	3.3
97.07681	3.4
98.09695	2.9
99.08112	5.3
100.07617	20.6
102.09190	32.0
103.05474	2.4
105.01863	5.2
105.07043	24.3
107.04992	3.9
107.08598	18.2
108.08124	34.3
109.02838	2.3
109.06517	10.1
109.10168	8.7
110.06057	2.3
110.07164	2.6
110.09710	4.1
113.03465	2.7
114.10286	7.5
115.03864	3.9
117.07020	9.5
119.04930	6.8
119.08603	15.2
120.08084	2.4
121.05746	2.3
121.06516	9.7
121.10152	10.2
122.09656	2.8
123.04448	13.8
123.08058	4.4
123.11721	4.9
126.09151	6.3
127.03950	6.5
127.07598	3.4
129.01810	3.0
129.05482	2.6
129.06970	5.6
130.07837	2.6
131.08571	9.6
133.06493	3.5
133.10118	9.2
135.04526	3.9
135.08051	6.9
135.11685	12.0
135.59775	2.2
136.07654	2.3
136.11220	4.2
137.05946	2.7
137.09584	3.1
137.13284	3.8
139.03922	6.2
142.08652	15.3
143.08546	9.6
144.10202	11.8
145.06528	3.5
145.10109	17.2
146.08170	11.6
146.09172	2.1
147.04433	3.2
147.08055	9.3
147.11691	7.6
149.05992	3.6
149.09573	4.3
150.12782	11.6
151.03931	3.2
151.11203	6.0
152.14349	30.9
154.15881	3.7
155.08542	6.8
159.08124	5.0
159.11682	4.1
161.09650	3.1
161.13271	3.4
163.03937	3.5
163.07585	2.7
163.11192	6.4
165.12778	9.8
171.08038	5.5
173.09583	20.0
175.07526	7.6
175.11208	3.6
177.05516	17.7
177.08997	2.8
177.12737	8.5
181.05035	4.1
187.11227	3.7
188.09239	3.6
189.09146	4.7
191.10690	9.9
196.17015	5.5
201.03970	7.5
201.09076	2.5
201.12752	3.6
205.12312	3.3
207.13853	4.9
209.11705	2.3
215.14294	3.9
233.15425	2.6
243.13857	10.6
261.14905	13.3
277.22760	6.1
279.15973	5.9
295.23843	18.9
321.25476	2.7
327.08615	8.0
339.22815	100.0
341.24548	3.2
347.14890	6.7
365.15808	8.1
383.11459	2.4
383.16174	9.7
383.25806	68.1
384.14487	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	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86507	1.1
51.99339	1.1
55.01873	1.5
57.03438	3.4
61.02924	4.7
69.03440	7.9
70.03293	2.2
70.03677	2.6
81.03434	3.1
81.07051	1.8
83.06177	1.7
85.02903	16.6
87.04492	1.4
91.03950	1.2
91.05498	4.6
92.05856	1.6
93.95660	1.1
97.02911	7.2
102.18011	1.2
103.04002	1.1
109.02905	2.6
110.07152	3.6
115.05437	6.6
119.04941	8.6
120.05318	4.8
120.08054	1.2
127.03934	4.4
130.06557	10.9
132.08099	2.9
134.06062	6.7
134.06946	1.6
139.03925	1.8
145.02875	3.7
145.05042	1.6
146.06013	4.3
147.04431	32.9
148.04750	30.2
148.07571	14.6
158.06035	25.3
160.07593	27.8
160.08861	1.9
162.05519	59.9
163.08690	1.6
172.07599	3.6
175.08681	29.6
177.05490	4.8
185.01224	1.7
186.05518	44.6
200.07103	1.6
203.08289	1.6
204.06573	100.0
205.06978	1.6
221.09219	99.0
222.09537	1.6
228.06580	2.3
245.09299	4.4
263.10480	5.4
270.07639	2.2
274.10767	1.7
287.10168	2.3
297.14542	2.7
299.10486	1.7
365.13977	1.9
365.18369	4.8
383.13867	5.3
383.19400	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55058	0.2
65.03938	1.0
70.84633	0.6
75.07236	0.2
83.29751	0.2
91.04914	0.6
91.05481	10.0
119.04943	23.1
147.04410	100.0
148.04739	1.5
212.62190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
57.03445	4.1
58.81411	1.7
69.03424	10.7
70.52404	3.5
70.52798	4.4
81.03418	7.3
82.02950	2.4
85.02435	3.0
85.02911	34.3
91.03969	1.8
94.06556	3.6
97.02894	6.7
109.02907	3.0
118.06544	6.5
127.03912	4.3
130.06531	63.3
132.04442	16.9
132.08096	5.5
136.06235	2.7
144.06943	1.7
144.08083	32.8
145.07625	20.8
146.06012	11.3
147.04439	3.8
148.07515	4.2
154.06509	6.0
156.08084	5.9
157.07628	65.4
158.06006	47.0
158.08261	2.3
159.09167	6.7
160.07608	3.8
169.07603	7.9
170.06175	2.4
171.06808	2.5
171.09174	8.0
172.07605	12.5
174.05499	5.8
175.08678	55.0
176.07077	3.5
181.07635	5.5
182.08371	4.8
183.09175	14.6
184.07555	3.0
185.07103	12.3
186.05382	3.9
186.07794	2.3
195.09164	2.6
199.08638	11.2
200.07071	16.3
203.08174	100.0
204.06677	4.1
204.08472	2.5
209.07164	8.4
216.08876	5.5
217.09760	32.3
221.09200	48.5
223.08777	2.3
226.08635	2.0
227.08121	10.5
231.07674	5.7
235.06604	3.0
245.09189	20.8
251.08853	4.0
263.10300	40.0
269.09302	2.6
299.10205	6.6
311.10312	2.6
323.06259	3.0
323.60928	2.4
329.11261	4.2
347.12476	9.5
348.10794	7.0
353.90829	2.0
355.44141	2.2
365.13458	28.8
383.14560	18.3
398.45920	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01875	7.3
55.05514	13.8
57.03440	5.8
61.02920	8.0
66.31079	5.7
67.05493	26.4
69.03436	32.8
69.07065	10.7
70.06593	33.9
71.04970	8.5
71.51479	8.5
71.72299	5.9
72.08159	12.1
73.02905	9.1
79.05467	14.5
81.03410	15.9
81.07063	56.7
85.02912	100.0
91.03977	5.7
91.05477	25.0
93.07058	31.6
94.30795	5.5
95.04976	9.0
95.08607	31.0
97.02877	34.7
97.06540	7.7
105.07025	59.7
107.08623	33.4
108.30323	6.0
109.02892	7.2
109.10170	18.7
114.10261	8.3
117.07056	9.7
119.04965	6.8
119.08588	59.6
121.06504	6.9
121.10154	24.0
123.11742	12.2
127.03928	15.1
129.07024	12.2
131.08586	24.3
133.10136	26.1
135.11684	9.3
143.08562	13.3
145.04944	10.5
145.10115	56.9
147.04381	15.1
147.11653	22.3
154.05023	10.4
157.10104	17.2
159.11705	70.4
161.13301	57.9
162.09113	11.0
171.11662	7.6
173.13324	13.3
178.05026	8.5
189.16330	7.3
201.16380	70.3
203.07104	8.5
203.17981	40.5
204.13733	6.2
217.15826	9.3
219.17467	76.8
231.17345	8.1
242.08209	7.1
260.16446	9.3
301.14005	7.5
302.24554	7.0
328.48407	6.5
332.84177	6.7
349.13684	7.9
363.20868	20.8
364.21262	9.0
381.09378	8.7
381.21802	20.1
383.50507	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	381.1336
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
55.01866	0.8
55.05516	1.1
57.03433	0.9
58.27328	0.4
63.75275	0.5
67.05497	1.9
69.03448	0.4
69.07061	0.9
70.66983	0.6
70.67346	1.2
79.05504	2.2
81.03400	0.8
81.07052	1.9
83.04989	0.6
83.08622	0.5
91.05478	1.7
93.07040	1.3
95.04977	1.6
95.08614	1.0
97.06551	0.6
97.10142	0.5
105.07044	1.4
105.61024	0.4
107.04944	1.6
107.08607	0.6
107.47881	0.4
109.06509	1.0
109.10226	0.7
111.40196	0.4
117.07043	0.4
119.04930	0.4
119.08598	1.0
121.06509	0.8
121.10133	0.6
125.09599	0.5
131.08594	0.6
133.06496	0.5
135.08023	0.8
145.10062	0.4
147.08058	0.5
154.13295	0.4
161.09647	0.5
165.07100	0.5
172.71948	0.5
174.83121	0.5
178.07774	0.6
179.08545	0.6
189.07040	1.4
191.34943	0.4
192.05626	0.4
202.07805	0.7
203.08585	1.5
205.06514	0.9
206.07323	1.0
207.08052	2.5
215.08624	0.9
217.06494	1.8
218.07193	2.3
219.08116	1.6
220.05249	0.8
220.09055	0.8
221.06015	0.5
221.38043	0.4
224.08316	0.6
231.08080	4.0
232.08821	3.4
233.09625	1.2
233.15434	0.7
234.06763	3.5
235.07532	4.6
237.05478	0.7
238.06140	0.5
243.08047	0.6
244.08885	0.5
245.05951	2.6
246.06859	2.0
247.07590	3.6
248.04681	0.5
248.08394	1.2
249.05426	0.5
249.09161	2.6
250.06306	0.5
250.09778	0.6
251.07140	0.7
252.07823	1.3
259.07489	2.8
260.08304	7.9
261.09116	2.9
262.06274	3.5
262.09015	0.5
263.07031	9.7
264.07797	2.2
265.04794	0.6
265.08752	0.6
267.06558	0.6
267.10156	1.0
271.07516	0.5
273.05374	1.1
274.06317	2.6
274.09265	0.5
275.07132	3.5
275.10068	0.6
276.04300	0.7
276.07809	1.1
277.05386	0.8
277.08572	6.1
278.06326	0.6
278.09311	3.8
279.06586	1.5
279.10034	0.8
280.07224	2.8
284.06915	0.9
287.07162	1.0
288.07776	3.3
289.08582	2.7
290.05740	2.2
290.09030	0.8
291.06549	10.8
291.10062	1.3
292.07272	2.8
292.10425	0.5
293.08118	0.9
293.11682	1.1
295.09604	1.6
302.09229	0.6
303.06610	1.0
303.09937	0.6
304.07187	0.5
305.08102	8.6
306.08868	14.0
307.06183	0.9
307.09576	3.5
308.06796	6.7
309.07553	0.5
316.07346	0.8
317.08261	0.7
319.06064	2.6
319.09686	1.1
320.06735	2.1
320.10492	2.3
321.07443	1.3
321.11133	9.5
322.08328	1.0
322.11636	0.6
323.09177	6.9
333.07669	2.2
334.08405	3.9
335.09161	11.1
335.18546	0.6
336.06348	0.7
336.09888	0.5
338.11517	1.9
348.09872	0.9
349.10754	9.3
350.11349	3.7
351.08649	18.6
365.10406	0.5
366.11014	13.6
374.88184	0.5
381.13361	100.0
382.13828	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79191	0.4
58.94815	0.3
70.41782	1.2
89.15292	0.3
93.50061	0.3
94.93020	0.5
201.01622	4.5
202.89096	1.0
219.02692	4.2
248.89909	0.4
284.83762	0.7
344.85486	0.5
348.15176	0.4
381.07959	100.0
382.08350	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	381.1335
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
67.05493	0.6
69.27930	0.5
70.06554	0.5
71.24625	1.0
79.05495	0.8
91.05456	0.6
93.07045	0.8
105.07018	0.5
107.08569	0.5
124.77747	0.4
131.08560	0.5
143.62694	0.5
163.03937	1.8
164.04237	1.1
176.06203	0.5
178.07849	0.5
179.08531	0.6
189.07039	1.6
190.07761	0.8
192.05785	0.5
201.20424	1.5
202.07803	0.6
203.08615	1.1
205.06544	1.5
206.07307	1.4
207.06493	1.9
207.08153	2.1
208.06889	2.0
213.06863	0.5
215.08633	0.7
217.06512	1.5
218.07343	2.8
219.08110	1.6
220.05234	1.1
231.08020	3.3
232.08861	2.9
233.09575	1.1
234.06764	3.0
235.07521	4.9
237.05492	0.9
243.08026	0.7
245.06006	1.8
246.06827	2.5
247.07564	3.8
248.04541	0.5
248.08318	1.5
249.05438	0.9
249.09148	3.1
251.07159	0.6
252.07834	0.9
259.07565	3.7
260.08353	7.5
261.09164	2.4
262.06335	3.1
262.09750	0.6
263.07071	9.1
263.09692	0.8
264.07748	2.5
265.04935	0.5
265.08609	0.6
267.10175	0.7
273.05588	0.9
274.06363	3.1
275.07028	3.4
275.09845	0.4
275.10733	0.4
276.04294	0.7
276.07910	1.0
277.05536	0.9
277.08615	6.5
278.06296	0.6
278.09296	3.8
279.06601	1.5
279.09726	0.5
280.07355	3.2
283.06131	0.5
287.07077	1.5
288.07782	3.1
289.08597	3.4
290.05734	1.5
290.09152	0.8
291.06555	9.8
291.09875	0.9
292.07346	2.8
292.10568	0.7
293.08023	0.9
293.11493	0.7
295.09689	1.7
301.08652	0.6
303.06561	1.2
303.10052	0.8
305.08105	8.6
306.08865	13.2
307.09763	2.5
308.06818	6.9
309.07339	0.6
316.07352	0.8
317.08167	1.3
319.06116	1.6
319.09546	0.7
320.06738	1.3
320.10522	2.4
321.07611	1.1
321.11191	8.2
322.08444	1.0
323.09143	6.7
331.09750	0.5
332.10400	0.5
333.07523	1.7
334.08353	3.6
335.09146	10.3
336.06131	1.2
336.09888	1.2
337.10873	0.9
338.11395	1.3
348.09995	0.9
349.10736	7.8
350.11536	3.3
351.08649	16.3
351.12778	1.1
365.10315	0.5
366.11005	15.3
367.11288	0.9
381.13358	100.0
382.13678	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	379.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.1
56.05025	14.7
67.05500	29.6
69.03449	14.3
69.07053	13.3
69.35446	13.3
70.06590	44.3
70.83977	43.9
74.06064	26.8
75.04432	16.4
79.05452	13.6
79.70902	13.6
81.07059	44.0
83.52691	16.8
84.54553	13.8
85.02892	14.7
92.87964	14.4
93.07018	17.1
95.04957	17.5
95.08543	25.0
97.02918	16.8
97.06515	21.4
105.07027	28.4
107.08553	26.2
108.04438	16.2
109.10139	22.5
115.46204	13.7
123.04449	14.9
134.04544	23.2
137.05971	19.0
158.08150	33.8
162.09119	18.6
176.14366	35.1
180.06485	50.4
182.08160	32.2
189.16516	15.3
204.08723	100.0
206.11725	46.0
217.66423	18.4
226.07108	22.0
260.11591	13.5
289.25159	18.6
310.11581	32.1
336.32132	16.7
341.53970	17.6
379.11868	19.8
379.19351	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.0
56.96554	5.6
61.02934	5.2
69.03432	9.4
69.28334	4.5
71.04990	4.2
71.50287	4.5
71.50718	5.1
81.03415	6.2
84.08150	7.0
85.02919	13.3
88.04005	6.1
97.02888	11.1
101.00884	13.9
105.03430	6.0
106.38673	4.0
112.07635	21.8
113.00848	5.0
115.02475	6.9
119.01932	28.2
121.06538	4.5
123.04482	4.2
127.02428	6.9
127.03960	5.6
129.03984	5.0
131.01912	15.3
133.03503	9.6
142.01140	4.2
143.01915	13.0
145.03575	19.4
147.03340	5.7
147.04282	4.0
147.05084	12.2
155.01913	17.5
157.03465	12.6
158.06615	6.2
161.02960	15.4
171.01355	4.8
171.05028	20.0
173.02919	22.8
173.06644	7.4
175.04453	7.1
179.03448	5.2
183.04991	15.3
185.02922	6.8
185.06668	16.2
187.04587	4.4
188.07715	5.4
189.02530	4.9
189.06219	11.7
190.01060	5.4
191.04053	7.5
191.07835	4.5
199.04585	9.1
200.98097	3.9
201.06136	17.7
203.04008	11.6
203.07666	6.7
207.05022	5.8
213.06134	9.9
221.03133	6.1
221.05121	16.8
223.04848	4.4
225.06166	11.2
229.05602	8.1
231.03531	6.2
232.02222	7.2
232.91628	3.7
235.06696	6.9
237.02724	4.9
250.03297	52.3
250.56532	4.2
251.12607	4.4
255.07471	5.9
268.04327	55.2
269.04828	4.3
273.08264	100.0
274.08630	6.3
275.09793	7.1
277.03979	6.1
277.07376	4.8
285.04706	4.4
289.07617	6.9
291.06134	8.6
291.09262	74.6
292.09186	5.4
293.10849	8.0
317.10916	4.7
317.67053	4.2
319.05179	7.7
319.08792	34.3
319.12302	8.1
337.09589	21.0
351.74124	4.5
361.06107	8.6
363.80075	4.8
379.10733	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	378.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	16.3
70.23103	31.9
70.23450	52.1
73.32164	14.1
85.02926	25.3
90.47549	17.3
95.04990	38.2
119.04973	17.2
123.04420	40.5
125.53144	15.3
140.04735	99.1
145.02863	24.0
155.07034	59.2
177.05440	20.5
179.03423	52.5
199.06056	100.0
233.02736	15.1
293.46854	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	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49051	1.5
59.46882	1.4
67.05509	1.9
69.03440	2.7
69.07074	2.2
70.06596	5.4
78.46199	1.4
81.03443	2.5
82.93736	1.5
84.04513	2.6
84.08109	1.9
85.02914	10.1
91.05455	3.0
97.02919	2.6
105.31742	1.7
112.07590	3.6
122.03690	2.6
127.03915	1.5
133.02814	2.3
134.09596	1.9
136.07628	2.0
137.05989	100.0
145.04947	2.0
147.04425	2.3
151.07544	2.6
163.07574	2.4
177.05473	1.9
179.03386	3.0
181.08606	14.6
181.71632	1.6
204.80713	1.8
208.09709	2.4
361.07434	1.8
379.09491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38904	0.9
52.39886	1.0
60.04526	1.5
61.22265	0.9
69.03432	2.4
70.06584	2.8
71.05019	1.1
71.31156	2.1
73.45354	1.0
81.03410	1.9
82.86058	0.9
85.02891	9.0
91.05501	2.5
92.83769	1.0
97.02906	1.4
119.04890	1.2
122.03677	1.7
127.04010	1.0
129.51161	0.9
137.05981	100.0
138.06329	1.4
145.45076	1.0
151.07581	1.5
159.50267	1.1
163.07570	2.9
175.07506	1.2
181.08629	12.1
208.09775	1.2
217.08615	5.0
245.08177	1.4
379.09906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01903	2.4
55.05510	11.2
57.07078	11.9
61.83789	2.4
67.05514	27.3
69.07066	17.4
69.50397	16.4
77.03899	2.5
79.05502	33.4
79.05924	3.9
81.07059	87.6
83.04976	2.3
83.08638	3.3
87.22558	2.3
89.06052	12.4
91.05488	38.8
93.07053	57.6
95.04979	25.4
95.08607	66.0
97.06545	5.8
98.21556	3.3
105.07040	87.1
107.08607	26.7
109.06537	10.5
109.10170	23.5
112.39076	2.4
115.05499	2.5
117.07014	12.0
119.06069	2.4
119.08590	62.7
121.06519	15.9
121.10171	32.6
123.08118	4.6
123.11716	100.0
126.53300	2.5
128.06259	6.0
129.07045	12.2
130.07782	8.1
131.08583	28.0
133.08618	4.4
133.10136	44.1
135.08105	4.3
135.11737	10.9
141.07002	3.1
142.07785	9.7
143.08586	22.7
144.09335	6.3
145.06447	3.3
145.10141	40.7
147.08061	5.1
147.11705	21.1
149.13284	6.1
153.06932	2.5
155.08618	5.4
155.28705	2.9
156.09393	5.5
157.10138	29.8
158.10924	3.1
159.11711	28.1
161.09628	14.6
161.13268	3.2
169.10098	9.3
170.10947	4.5
171.11703	9.7
173.13348	7.4
175.11195	8.3
175.14897	8.4
179.08574	3.8
181.10115	5.5
183.11780	6.9
185.13319	2.7
187.11203	8.9
187.14885	5.9
189.16377	4.1
193.10150	2.9
195.11943	10.8
197.13312	3.3
199.14868	3.8
203.18018	5.6
208.12279	3.3
209.13161	2.9
211.14709	3.5
255.17555	3.3
347.49454	2.8
377.28281	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	377.1458
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03937	1.8
55.01863	1.0
57.03203	0.5
57.03442	7.9
59.04988	1.2
61.02930	3.4
69.03439	15.6
70.90406	0.7
70.90733	0.9
71.01355	2.4
71.05002	3.5
73.02917	2.3
75.04485	2.8
81.03423	4.0
87.04482	0.7
91.05485	0.7
99.04465	5.6
103.05445	0.7
117.05527	0.9
120.38892	0.5
145.07608	3.7
147.09122	0.5
157.06386	0.9
159.09195	0.7
169.40891	0.5
170.07115	1.9
172.08707	35.5
173.09082	0.6
190.09766	1.6
198.06660	8.9
200.08247	5.8
214.09761	0.9
215.14755	0.7
216.07713	19.8
218.40540	0.5
243.08798	79.4
244.07063	1.1
244.09311	1.1
276.49393	0.5
335.06815	0.5
359.13449	3.8
377.14572	100.0
378.14926	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.05504	15.8
57.07071	7.5
63.14415	4.4
65.03957	6.3
67.05504	35.4
69.07070	57.4
69.85263	16.8
69.85677	7.7
71.08646	5.4
77.38439	4.6
79.05495	39.8
81.07063	65.3
83.08611	8.0
87.82356	4.4
89.06018	27.0
91.05498	53.6
93.07052	70.6
95.04972	47.7
95.08614	91.0
97.06519	6.4
105.07040	100.0
106.07298	4.4
107.08614	41.0
109.06527	16.3
109.10155	35.4
115.05456	6.3
117.07018	19.4
119.04945	4.7
119.08584	92.0
121.06511	14.9
121.10138	43.5
123.11706	13.0
127.62836	5.1
128.06235	9.6
129.07036	15.5
130.07822	6.2
131.08586	32.0
133.08588	6.5
133.10147	43.2
135.08029	4.5
135.11719	11.5
137.13303	10.2
139.19695	4.6
142.07799	24.9
143.08597	26.8
144.09254	5.1
145.10130	50.9
147.11697	29.4
155.08521	8.6
157.10149	47.5
159.11736	32.5
161.09654	8.5
161.13272	18.2
169.10150	17.1
170.10719	4.9
171.11693	20.1
173.13278	17.8
175.11221	7.6
175.14844	15.6
177.16408	11.6
183.11739	14.1
185.13225	12.6
187.11206	9.8
187.14958	6.5
189.16383	11.6
195.12050	7.0
197.13278	14.1
199.14799	6.8
201.16470	4.8
203.18005	16.3
209.13263	8.4
213.16423	7.1
225.16374	5.4
282.76541	5.7
359.27643	6.5
377.28461	29.8
377.35947	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.05516	18.4
57.95398	3.4
58.23198	3.6
65.03933	5.0
67.05510	31.7
68.85437	3.1
69.03410	5.0
69.07076	13.2
71.51100	3.1
79.05494	29.7
79.51663	3.4
81.07061	55.5
83.04993	5.0
83.08625	7.2
91.05479	58.6
93.07050	71.7
95.04963	40.6
95.08610	40.1
97.06550	7.8
103.05462	7.3
103.88911	3.8
105.07034	100.0
107.04965	4.6
107.08595	44.6
109.06523	10.0
109.10140	22.1
115.05473	5.0
117.07047	24.6
119.08588	82.5
121.06509	21.4
121.10159	66.3
122.28460	3.7
123.08038	8.7
123.11689	6.0
128.06256	11.2
129.07013	18.8
130.07855	4.8
131.08553	40.5
133.10135	32.0
135.11737	13.5
141.07002	8.7
142.07808	15.5
143.08582	30.0
144.09283	5.0
145.10118	53.5
147.11703	17.0
153.77121	3.8
155.08606	10.6
156.09361	9.3
157.10143	44.2
159.11650	25.7
161.09656	11.6
166.07747	3.6
167.08612	7.7
169.10184	15.7
170.10764	3.7
171.11688	13.7
173.13208	20.6
175.11189	4.8
175.14749	6.3
179.08582	5.0
181.10129	8.7
183.11719	13.9
185.13274	8.1
187.11136	4.3
187.14854	10.1
193.10155	6.4
195.11708	11.4
197.13287	8.6
201.16451	3.8
207.11703	6.7
209.13322	14.5
211.14825	6.3
216.33601	3.8
221.13089	5.9
223.14792	6.4
225.16380	7.5
235.14862	6.9
253.15919	4.2
253.19362	4.3
320.04449	4.5
375.26923	40.2
396.52832	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	376.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61552	0.3
53.03937	0.6
55.05503	0.9
57.03422	1.4
59.92947	0.3
61.02915	0.8
67.05495	1.2
68.05013	0.5
69.03424	2.9
69.07068	2.0
70.06573	0.6
71.04977	1.2
73.02927	0.4
75.04469	0.3
79.05485	1.2
80.05002	0.4
81.03411	1.8
81.07049	1.5
82.06563	1.0
84.04496	0.8
84.08123	0.6
85.02907	5.2
86.09694	0.6
91.05471	1.2
92.72755	0.3
93.07027	1.1
94.06557	1.4
95.08587	1.4
96.04481	0.5
96.08118	1.0
97.02888	2.0
97.06538	3.5
99.04375	0.3
103.05479	0.4
105.07018	0.6
106.84724	0.3
107.04968	0.6
107.08570	0.5
108.08104	1.4
109.02866	0.7
109.06505	0.6
109.10140	0.7
110.09692	0.6
119.04911	0.9
120.08141	0.6
122.09673	1.4
122.10509	0.3
123.04461	0.6
123.06779	0.6
123.08058	1.7
124.07595	29.8
126.09180	2.2
127.03931	0.9
130.06549	0.4
133.10155	0.6
135.08017	0.4
135.10487	0.5
135.11606	0.3
136.07523	0.5
136.11215	3.3
137.05974	0.6
137.09608	0.9
138.09145	25.5
139.09459	0.5
140.10698	3.0
142.27913	0.3
147.04410	0.4
150.09109	0.5
150.12787	12.3
151.07520	0.7
151.11153	0.6
152.10719	2.7
160.11176	0.9
161.09656	1.0
162.09052	0.4
163.03908	0.5
163.43631	0.3
166.08774	0.5
166.20949	0.4
171.75598	0.4
177.05464	0.5
178.12277	11.8
179.07088	1.2
179.10661	1.5
180.07913	0.4
196.13341	7.9
197.08144	0.4
204.10193	0.4
205.08580	0.4
214.14384	100.0
215.14745	1.6
226.14450	0.6
256.15472	0.5
280.15582	0.8
292.15570	0.5
324.92255	0.3
376.19583	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.8
53.04178	2.6
55.05519	14.3
56.55250	2.5
57.07082	2.9
63.08330	2.3
65.03941	5.3
67.05511	29.9
69.02641	2.1
69.07089	12.4
69.07375	2.6
70.87804	2.2
71.51672	3.3
79.05497	34.7
81.06601	2.8
81.07067	44.0
83.04980	6.2
83.08610	5.8
91.04919	2.9
91.05486	50.0
93.06488	4.1
93.07056	73.8
95.04980	32.5
95.08619	39.6
95.28024	2.6
97.06518	6.9
105.07046	100.0
107.08602	41.4
109.06524	11.1
109.10162	22.9
115.05458	5.8
117.07048	17.8
119.08598	71.7
121.06532	16.4
121.10151	67.3
123.08067	6.9
123.11744	5.4
128.06221	9.2
129.07010	10.6
130.07790	7.1
131.08591	39.0
133.07581	3.0
133.10146	40.3
135.08041	4.1
135.11740	14.9
141.06987	7.8
142.07817	18.5
143.08574	26.5
144.09319	7.4
145.10123	49.7
145.79855	2.6
147.08015	4.5
147.11697	15.3
153.07005	2.4
155.08553	9.3
156.09343	9.2
157.10141	43.7
157.11354	4.8
158.10979	3.5
159.08067	5.1
159.11699	29.6
161.09645	11.1
161.13150	6.0
164.86349	2.9
165.07079	3.7
167.08568	5.2
168.09282	4.7
169.10172	15.7
170.10977	3.7
171.11678	16.2
173.13300	14.2
175.11200	6.7
175.14873	6.7
179.08568	6.9
181.10129	8.1
182.10916	5.6
183.11742	15.3
185.13251	7.3
187.11191	3.9
187.14851	9.9
192.09303	4.0
193.10101	5.1
194.10883	5.5
195.11700	10.9
196.12523	3.6
197.13271	7.0
199.14812	9.0
207.11725	7.7
209.13301	12.2
210.54102	2.3
211.14827	6.9
213.16298	2.9
221.13354	3.0
223.14799	4.2
225.16412	4.4
227.14459	3.1
235.14870	5.0
251.17799	3.5
265.19330	2.9
266.20099	3.8
375.18942	4.7
375.26880	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.238
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03930	5.0
55.01870	5.9
55.05519	16.4
57.03437	8.3
57.07055	3.9
59.04989	4.7
61.02928	11.3
65.90343	1.0
67.05505	9.6
69.03430	35.0
69.07071	40.5
69.60030	7.2
71.04997	9.5
71.08640	1.8
73.02930	6.0
79.05487	6.4
81.03415	13.7
81.07057	30.8
83.01315	1.1
83.04974	8.2
83.08612	10.0
84.08147	1.2
85.02905	72.9
85.06076	1.9
85.06539	20.0
85.30724	1.2
87.04459	6.4
91.03953	5.1
91.05470	4.4
93.07040	16.1
95.05004	1.3
95.08607	47.4
97.02897	26.9
97.06522	5.5
97.10165	11.8
97.33961	1.3
98.20726	1.2
99.04438	5.0
99.08098	24.9
99.90956	1.3
101.02486	1.2
103.05491	1.4
105.07013	4.0
107.08601	29.6
107.23387	1.2
109.02880	8.7
109.09470	1.7
109.10158	17.1
111.08074	3.4
111.11702	6.6
113.09657	7.4
115.03918	1.9
119.08572	2.4
121.10144	33.7
123.04448	6.7
123.11697	9.2
125.09634	7.7
125.13289	2.2
127.03904	16.0
127.11150	1.8
129.12799	1.3
133.10095	1.3
135.11690	18.9
137.05986	2.7
137.13252	22.2
139.03891	1.9
139.11183	9.6
145.03929	1.5
145.04959	17.5
147.04358	2.8
149.13266	6.7
150.90611	1.2
151.03906	2.4
151.14874	6.2
153.12749	11.0
163.07564	1.6
177.05490	5.8
177.16388	100.0
178.16684	2.8
179.07045	5.4
185.69046	1.1
195.17450	39.2
205.08563	2.2
213.18492	42.1
227.70605	1.1
274.04922	1.2
315.12573	1.2
331.11728	2.0
345.07596	1.2
375.23703	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	375.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65710	0.3
53.31501	0.3
54.41715	0.3
56.05042	0.5
57.03438	0.5
67.05513	0.4
69.31980	2.4
71.08635	3.4
75.29507	0.3
75.49729	0.3
79.05453	0.3
83.04951	0.4
84.04504	6.3
85.02908	13.7
86.06065	2.0
87.04434	0.5
88.11292	0.8
93.07066	0.3
95.01298	0.7
95.89251	0.3
98.21527	0.8
102.05546	7.5
112.03113	0.3
112.03970	1.3
112.78235	0.3
113.02399	0.5
118.06519	0.8
130.05005	53.9
154.45480	0.3
156.13893	1.6
172.13339	0.7
176.14354	14.9
178.54637	0.3
182.47418	0.3
200.12820	100.0
201.13144	1.1
202.15915	1.0
288.15961	4.3
375.26428	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	375.1803
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03942	1.6
55.01861	1.0
58.88556	0.7
63.05710	0.7
63.69498	0.7
65.03950	0.9
66.04713	1.1
67.05481	0.8
69.03435	3.6
69.07032	0.9
69.35990	0.7
71.04984	0.9
71.07121	1.3
78.04712	2.7
79.05489	5.9
79.84244	0.7
81.07062	2.2
84.04510	1.4
85.02903	1.9
91.05486	7.1
93.07049	2.5
94.04191	3.8
95.04965	1.8
95.08612	1.1
97.06537	0.8
103.05470	11.8
103.82099	0.6
105.07050	7.5
106.04194	1.0
107.04959	9.6
107.08585	0.9
108.05688	0.7
109.02887	1.2
109.06543	1.7
109.10162	1.0
115.05475	2.2
117.07005	1.1
119.04971	2.6
121.06506	5.8
121.10162	0.9
122.03650	10.4
123.04436	5.0
123.08073	2.3
124.05208	1.5
129.07007	1.5
130.05048	1.5
131.04025	1.3
131.04942	14.8
131.08551	0.9
133.06505	7.6
133.52423	0.8
135.04384	1.1
135.08055	5.4
136.05219	1.3
137.05984	100.0
138.06406	0.8
143.04935	1.2
143.08534	1.2
144.05650	0.9
145.06445	1.9
147.04404	1.3
147.08012	1.6
149.06029	1.6
151.03908	2.4
151.07545	12.3
152.04617	1.0
153.05418	1.1
157.06522	1.1
160.05264	1.1
161.05940	5.1
162.06779	1.0
163.07552	32.7
165.09094	1.7
167.07047	51.2
167.11792	2.6
175.07521	6.2
177.05490	1.3
177.09117	19.6
177.10672	1.1
179.07030	2.2
181.08604	7.2
187.07523	2.2
188.08409	0.8
189.09058	1.8
193.08614	13.9
195.10204	6.0
201.09126	1.2
201.12352	0.9
202.10754	1.1
203.10732	1.9
207.10229	1.1
219.10153	2.0
221.11845	1.5
233.09758	1.2
239.07062	1.2
239.45490	0.8
241.08617	2.1
251.10606	1.2
253.08679	1.3
261.09180	1.0
265.08383	0.8
265.12360	1.5
267.10098	0.8
271.09641	1.5
283.09708	1.0
283.13297	1.0
293.08679	0.9
293.11539	3.7
295.09689	2.7
302.78595	0.9
311.12918	1.6
314.11642	0.9
315.12320	1.5
325.14417	4.0
329.13760	1.2
332.59341	0.7
338.62738	0.8
339.12360	1.8
343.15262	1.0
357.10135	1.0
357.16959	3.1
375.10663	0.9
375.18073	2.6
378.04712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
50.89527	0.7
53.03946	0.9
55.01871	1.3
57.03459	1.2
60.98854	0.8
65.03937	1.3
65.57394	0.7
67.05497	1.3
69.03426	3.2
69.07054	0.8
70.06582	1.2
70.89457	0.7
71.04994	1.0
71.50611	1.1
73.89127	0.8
78.04704	2.1
78.85293	0.7
79.05502	5.5
79.99459	0.7
81.07062	2.4
84.04492	1.2
85.02915	1.8
90.26891	0.8
91.05478	6.5
93.07037	1.2
94.04184	4.2
95.04967	1.4
95.08672	1.1
103.05470	12.4
105.07035	8.4
106.04155	1.2
107.04961	8.0
107.08623	1.3
109.06554	1.4
111.04436	0.8
115.05453	4.7
117.07040	2.2
119.04949	2.1
119.08571	0.9
121.06503	4.3
122.03660	10.9
123.04419	5.3
123.08089	1.7
124.05224	2.2
129.07074	0.9
131.04933	14.5
133.06505	8.1
135.04431	1.5
135.08052	5.2
136.05206	1.2
137.05986	100.0
138.06322	1.6
139.03922	1.4
143.04950	1.7
145.06448	2.3
147.04448	1.5
147.08038	1.4
149.05997	1.1
151.03915	1.8
151.07542	10.1
152.04590	1.2
157.06540	1.0
161.06012	4.0
162.06712	1.2
163.07553	32.3
165.05472	1.7
165.06923	1.1
165.09180	1.0
167.07051	49.0
167.11795	3.9
173.05994	0.9
175.07584	5.2
177.05565	0.8
177.09122	17.6
177.10667	1.1
179.07063	2.2
181.08611	7.0
184.09648	1.0
187.07570	2.5
189.09125	2.1
193.08620	13.4
195.10254	4.9
201.08984	1.1
201.12318	1.1
203.10724	0.9
205.10199	0.9
211.07498	0.8
219.10255	0.9
221.11841	0.9
233.11659	1.2
241.08519	1.6
253.08650	1.9
261.79095	0.8
265.12286	1.8
271.09552	1.6
293.11725	2.3
295.09668	1.2
325.14294	4.5
329.13919	1.4
339.12546	1.1
343.15103	1.5
357.13049	1.2
357.17026	2.7
375.18021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01867	0.9
57.03439	0.5
61.02937	0.4
68.99767	0.3
69.03439	2.4
70.01368	1.7
70.06583	0.7
71.05000	0.6
72.39640	0.3
73.02905	0.7
73.42717	0.3
80.34383	0.3
81.03041	0.4
81.03426	3.2
84.08145	0.7
85.02907	4.3
86.09695	0.6
87.00826	2.2
97.02910	1.8
97.85712	0.4
98.20747	0.4
99.04443	0.9
105.01848	0.9
105.07082	0.3
109.02891	3.0
117.01872	0.6
117.07084	0.4
119.08589	0.5
123.04449	0.9
123.81831	0.3
124.03927	0.5
127.03926	100.0
128.04286	0.9
130.04974	0.3
137.05923	0.3
145.02855	0.6
145.04959	1.1
147.04515	0.5
151.07591	0.4
159.02937	1.1
163.03951	0.3
167.07083	0.5
177.05531	1.7
178.05814	1.5
196.06870	0.8
231.04935	0.4
312.00644	0.4
331.13718	0.6
339.19257	0.5
343.10098	0.5
375.12512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20523	0.7
53.03924	0.6
53.59973	0.8
57.03437	0.9
59.62295	0.8
61.02909	2.0
69.03440	3.6
70.06667	3.1
71.73452	0.7
73.02897	1.3
77.40912	0.7
81.03410	2.9
84.08147	1.2
85.02909	16.7
88.03996	6.7
89.03931	5.9
91.03976	0.9
91.05477	0.9
97.02901	4.3
109.02832	1.2
117.03393	17.4
121.06436	0.9
127.03901	1.8
145.02856	42.0
145.04762	4.2
149.05981	9.0
152.19598	0.8
156.20193	0.9
163.03885	2.6
177.05486	100.0
178.05875	1.4
195.06554	46.0
210.56145	0.8
374.12991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07470	0.8
52.81898	0.7
55.01871	2.1
55.05500	1.1
56.11665	0.8
65.09248	0.9
67.05492	1.9
68.99800	2.0
69.03429	1.2
69.07072	0.9
70.06584	1.9
71.04983	0.9
71.51225	1.3
78.00820	0.8
79.05499	2.0
81.03442	1.6
81.07059	2.6
84.04491	2.3
84.08147	2.3
85.02902	1.8
86.09700	4.6
91.05473	6.6
93.07038	1.9
94.06602	1.1
95.04984	1.5
95.08622	2.1
103.05460	1.7
105.07012	2.2
107.04967	4.8
109.02894	2.7
109.06515	1.4
116.06992	1.0
117.07050	0.8
119.04964	3.2
121.06516	5.9
123.04431	49.1
124.07617	1.1
129.22194	0.9
131.04953	2.4
131.08551	1.5
133.06493	1.1
135.04437	6.1
137.05989	5.3
138.09186	0.9
147.04399	5.5
149.05992	9.3
149.09744	0.9
150.09140	16.0
151.03874	3.5
151.07538	1.5
159.04381	1.4
161.05991	4.5
163.03894	7.9
163.07608	1.8
165.05521	1.2
167.07059	2.3
171.04419	1.6
175.03937	7.6
175.07567	5.0
176.10725	1.5
177.05475	100.0
177.08884	5.5
178.05727	1.6
179.06987	1.7
181.06395	0.9
187.07570	1.0
189.05551	6.9
193.08603	1.0
194.11597	1.7
199.07616	0.8
201.05499	5.1
204.10217	6.3
205.04968	57.2
206.05289	1.9
212.12798	3.5
217.04927	9.4
222.07642	54.9
222.11137	20.4
223.07751	1.7
229.04997	3.7
234.07634	9.9
234.11168	1.7
243.13284	0.9
246.07701	4.2
273.08017	0.9
285.07361	1.2
311.09213	5.7
339.08572	5.5
339.12183	1.9
342.14117	2.8
356.11237	3.7
356.15329	4.7
374.16037	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	374.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67628	1.7
50.93547	1.7
55.01862	2.6
58.99580	4.7
65.03964	2.0
67.05494	2.1
69.03429	3.9
70.06586	4.4
71.50452	2.2
74.00674	4.6
76.02224	10.9
76.02585	1.8
79.05480	2.4
80.47539	2.0
81.03419	3.5
85.02906	12.2
88.04021	2.1
89.03910	3.1
91.05471	5.9
97.02888	2.6
100.02167	2.4
103.05463	4.3
105.07021	5.3
107.04955	3.0
115.05417	2.2
117.03374	7.0
117.07024	4.4
119.04950	4.2
121.06559	2.3
122.02734	51.1
123.04408	3.7
124.03967	3.4
127.03912	4.2
128.06235	7.6
129.07018	16.0
131.04922	7.4
131.08551	3.3
133.06506	2.9
135.08044	8.9
137.05989	4.2
145.02849	24.8
145.06491	3.3
146.07265	2.3
147.02705	2.3
147.04422	4.7
147.08104	11.7
148.05222	4.3
149.05992	6.0
157.06511	9.9
158.07317	2.8
159.08054	2.4
161.04248	11.9
161.05986	50.4
161.09639	13.7
162.49756	2.0
163.02145	2.2
163.03961	4.0
163.07552	64.3
164.08255	2.3
165.03741	4.4
165.05495	2.4
165.09146	7.8
173.56348	2.0
174.06822	5.4
175.07549	4.8
177.05482	54.6
177.09099	2.5
179.07042	7.0
189.03702	21.6
189.05486	33.0
189.09123	57.3
191.06993	3.7
193.03207	40.9
193.08556	2.3
195.04813	3.7
195.06538	25.7
202.31845	2.2
203.06955	3.4
207.04723	6.6
207.10179	100.0
212.12830	4.5
217.08603	23.8
221.06313	13.3
235.07259	4.1
235.09671	82.7
239.07257	12.8
249.05891	5.5
253.10735	23.8
257.08405	9.8
267.07010	2.4
285.07925	12.5
310.11002	4.0
311.09439	5.4
328.12103	15.1
339.09134	2.5
356.11713	17.9
357.10007	4.7
366.45047	2.0
374.12463	18.3
375.12463	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	4.9
55.79012	5.3
56.22419	4.6
67.05505	17.1
69.03425	12.2
69.07069	12.1
69.91193	4.8
79.05534	5.6
81.07062	18.6
83.04989	9.8
83.08632	9.2
85.02916	9.2
91.05445	5.4
92.09502	4.5
95.08589	20.6
105.07014	7.7
107.08588	23.0
109.06567	5.9
109.10165	88.8
111.71818	6.0
119.08600	29.2
121.10122	16.9
122.34098	4.8
123.04434	14.2
123.08070	11.4
123.11720	10.5
133.10129	25.8
135.11703	100.0
137.09592	11.6
147.04414	11.8
148.04947	5.3
151.03926	14.7
151.11237	7.5
151.14804	6.7
152.04315	9.6
175.14838	44.6
193.15904	61.1
211.16956	48.1
228.90651	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	373.2221
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
69.03428	14.8
71.31247	18.3
91.12482	11.6
95.08611	31.4
107.08564	18.1
109.10172	94.7
113.09647	12.0
119.08566	23.3
121.10186	14.2
123.11728	15.9
132.10312	16.8
135.11700	100.0
137.09612	16.6
151.03885	16.8
175.14877	51.4
191.27185	10.6
193.15898	59.5
195.56438	11.7
211.16971	51.5
226.62535	12.6
229.04747	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	373.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56663	2.7
53.03939	5.3
55.01876	5.6
55.05519	15.9
56.96560	8.1
57.03445	4.6
61.02921	5.7
65.03937	5.9
67.05511	33.5
69.03423	9.7
69.07073	13.3
70.06578	4.0
71.04993	3.6
71.08618	3.1
71.51662	3.9
73.02927	5.4
74.82490	2.9
79.05499	35.8
81.03440	14.3
81.07062	54.1
82.63657	2.9
83.04975	17.1
83.08617	8.0
85.02903	9.3
85.06573	2.8
91.05482	38.4
93.07047	52.6
95.04964	12.2
95.08611	30.2
97.02884	8.9
97.06526	7.5
97.10202	3.5
100.77682	2.7
103.05490	5.9
105.04549	2.7
105.07040	62.0
107.04949	12.3
107.08603	45.1
109.02863	6.2
109.06516	17.1
109.10165	17.5
111.04456	10.9
111.08097	8.1
113.05970	3.2
113.15446	2.8
115.05473	4.2
117.07037	14.4
118.04133	3.8
119.04970	4.2
119.08598	33.8
121.02824	3.0
121.06518	6.1
121.10143	31.9
123.04443	13.8
123.08076	5.9
123.11719	5.1
125.05993	58.5
125.09633	4.9
127.03904	9.0
128.06213	6.7
129.07016	11.3
130.07784	3.6
131.04938	4.8
131.08572	33.5
133.06506	5.9
133.10133	29.0
135.04449	6.9
135.08051	7.1
135.11700	14.9
137.06000	9.4
137.09627	3.5
139.03911	37.2
139.68437	2.7
141.07014	5.5
143.08540	18.2
145.06474	4.7
145.10130	35.3
147.04405	9.7
147.11691	29.2
149.05997	3.8
149.09625	5.2
149.13229	6.6
151.03944	11.3
151.07541	3.9
153.01846	63.8
153.05464	52.7
155.07036	21.3
155.08549	10.1
157.10127	20.7
159.08005	5.9
159.11702	41.5
161.05956	5.2
161.09676	5.9
161.13289	16.1
163.07558	6.1
163.11159	5.4
165.05580	3.0
165.12788	4.8
167.07042	10.5
167.08421	3.5
168.09515	2.9
169.10150	9.9
171.08087	4.7
171.11703	11.8
173.09517	3.6
173.13283	11.0
174.06712	2.8
175.07565	3.5
175.14865	17.3
177.05573	4.3
177.09103	6.0
179.07051	3.9
179.08606	2.9
181.08614	5.1
181.10120	7.0
183.02917	4.0
183.11688	12.0
185.13249	16.2
187.07596	9.6
187.14830	6.4
189.09114	14.2
189.16396	10.4
191.07048	3.7
191.10703	7.8
193.08636	7.3
193.10248	3.3
193.12303	4.9
194.10973	3.0
195.11714	8.5
197.13281	11.7
199.11145	5.4
199.14822	16.4
201.16406	30.1
203.10722	4.3
209.13309	7.7
211.14908	4.5
213.16382	5.5
215.17944	10.0
217.12283	6.2
220.09233	2.8
221.13319	3.2
223.14891	5.9
225.16270	3.7
227.17897	3.1
229.12285	5.6
235.14908	6.7
241.12199	3.8
243.08926	4.0
243.13846	6.5
249.16411	4.1
251.18158	4.8
253.19594	5.2
259.08493	3.8
267.08978	10.1
273.14853	3.8
277.19507	12.0
281.15436	7.6
285.10159	16.0
291.21002	12.3
293.22687	4.2
295.16983	4.6
295.20404	5.4
299.08606	3.2
301.09174	2.8
309.22083	12.6
311.09174	4.4
313.11484	3.6
319.20578	12.1
327.12357	3.3
337.10748	3.2
337.21500	71.3
349.30142	2.7
355.11786	7.6
355.22656	100.0
356.23019	3.7
373.13058	9.5
373.19513	6.1
373.23874	45.8
373.28232	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	373.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01861	1.7
55.05519	13.2
55.36022	1.9
57.03201	1.6
57.03443	22.7
59.04987	5.7
65.03930	2.0
67.05508	83.9
69.03435	55.5
69.07060	3.8
71.01355	1.8
71.05000	11.4
71.51685	1.8
72.82948	1.8
73.02908	3.8
74.12540	2.2
79.05465	4.1
81.03419	49.5
81.07043	17.2
83.04985	18.1
83.08619	7.5
85.02912	17.9
85.06509	3.1
87.04460	6.2
91.05480	9.7
93.07063	4.3
95.04957	3.1
95.08590	6.2
97.02898	30.7
97.10178	5.5
99.04467	12.2
101.02398	2.3
107.08585	3.8
109.02873	13.4
109.10159	78.1
111.04407	11.4
111.08099	4.7
117.07009	2.3
119.08620	8.5
125.09631	7.9
127.03930	24.0
129.05479	7.7
133.10118	2.9
137.09633	4.8
139.71405	1.6
145.04936	2.6
145.10172	2.0
155.10661	14.0
156.47504	1.8
173.04509	5.3
173.11751	55.7
183.06564	2.4
186.38788	1.7
189.11235	7.5
209.11737	3.4
228.82867	1.8
229.14320	11.3
286.58804	1.7
299.14951	9.6
321.05685	2.2
355.17514	6.0
373.18564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.3
55.01871	2.4
55.05515	12.1
57.03445	24.4
57.96715	1.9
59.04995	6.7
65.03938	2.0
67.05511	86.2
69.03433	58.5
69.07066	3.6
70.69724	1.9
71.05006	8.9
71.16389	3.4
73.02919	5.9
79.05498	4.0
81.03425	44.8
81.07060	13.8
83.05001	19.3
83.08624	5.7
85.02911	21.5
85.06544	5.1
87.04464	6.2
91.05486	7.4
93.07032	6.3
95.04990	3.5
95.08616	5.6
97.02908	29.0
97.10181	3.9
99.04459	8.7
101.02418	3.6
106.56237	1.9
107.08579	4.8
109.02893	13.0
109.10167	74.2
111.04466	11.2
111.08092	3.7
113.66452	1.7
117.06937	2.0
119.08582	7.1
125.09647	4.4
127.03941	27.2
129.05525	9.9
131.08656	3.0
137.09625	5.1
149.58717	2.3
155.10686	15.0
173.04517	4.1
173.11755	58.0
189.11224	5.7
209.11702	3.3
229.14409	9.4
299.15018	13.6
350.46091	2.2
355.17615	5.0
373.18585	100.0
374.18744	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	373.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67926	1.4
53.03951	10.4
55.05519	16.4
55.59807	1.7
57.03191	2.0
57.03441	26.6
59.04996	5.7
61.02936	2.0
65.03940	2.4
65.56435	1.5
67.05511	81.1
69.03437	50.9
69.07062	3.3
69.86156	9.0
71.01344	2.1
71.05003	8.7
73.02918	3.7
79.05491	4.4
81.03424	53.2
81.07064	12.2
83.04978	18.6
83.08624	6.9
85.02907	17.7
87.04441	4.0
91.05486	7.3
93.07057	5.2
95.08623	8.4
97.02906	26.6
97.06538	1.5
97.10161	6.2
98.20675	1.8
99.04469	11.6
101.02385	3.2
105.07028	1.9
107.08586	4.9
109.02885	15.6
109.10167	75.8
111.04432	10.8
111.08057	2.6
118.77910	1.6
119.08608	8.5
121.10142	2.1
125.09650	5.4
127.03922	25.3
129.05522	7.9
133.10086	1.6
137.09604	5.6
139.11316	1.7
145.05089	2.3
155.10666	17.0
173.04442	3.9
173.11755	50.3
173.57574	1.6
175.76057	1.5
189.11244	6.6
191.03645	1.7
193.98175	1.9
198.69064	1.6
209.11760	4.8
229.14404	9.3
281.13934	2.5
299.14914	9.7
355.17444	2.0
373.18610	100.0
373.25360	3.4
374.18781	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	373.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01875	2.2
55.05499	0.9
57.03419	0.5
65.03931	0.8
67.05509	2.2
68.99795	1.2
69.03425	0.9
70.39609	1.7
71.04981	0.4
77.03925	0.6
79.05492	0.7
81.03411	2.0
81.07066	0.8
83.04987	0.5
85.02881	0.7
87.51000	0.5
87.90076	0.5
90.77836	0.5
91.05486	2.2
93.07066	0.5
95.04980	2.3
95.08617	1.0
97.02888	0.7
98.20870	0.5
105.03396	1.7
105.07037	0.5
107.04981	0.9
109.02879	4.3
109.10140	0.6
111.04432	1.0
115.05463	0.5
119.04947	6.3
123.04434	36.8
124.04777	0.9
127.03956	2.2
133.02814	0.5
135.04431	2.7
137.05998	0.7
139.03902	9.4
139.04903	0.7
147.04416	18.8
151.03911	100.0
152.04230	1.3
153.05498	3.9
161.05963	2.5
163.03902	3.0
165.05481	12.5
167.07127	0.8
170.07329	0.5
173.06029	2.4
175.03918	1.1
177.05484	0.7
179.07039	1.5
181.04977	3.4
189.05446	0.9
193.04985	3.2
207.06502	1.9
209.11765	0.5
211.07530	0.7
215.07010	0.7
217.08588	0.9
219.10301	0.6
221.11745	52.7
222.12096	1.3
233.11896	0.6
243.06450	0.7
251.12801	1.5
285.07608	2.8
303.08649	35.2
346.01990	0.5
355.15634	0.5
373.16745	2.3
373.20810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.7
53.03948	1.1
55.01886	3.4
55.05510	1.2
65.03959	1.4
67.05499	2.8
68.99792	0.8
69.03420	1.9
70.85700	1.5
77.03966	0.6
79.05486	1.3
81.03416	3.8
81.07051	2.1
83.04976	1.8
85.02915	1.8
91.05502	4.5
95.04971	3.7
95.08609	1.2
97.06537	0.7
105.03391	1.7
105.07040	1.3
105.78054	0.6
107.04942	1.2
109.02881	5.3
109.06552	0.6
111.04480	0.9
112.11739	0.7
119.04952	9.4
121.10172	0.7
123.04437	52.0
123.11678	0.9
125.05939	0.7
127.03915	2.7
131.04918	0.9
135.04431	3.3
137.02292	0.7
137.05965	1.9
139.03909	14.2
139.04926	1.3
139.91367	0.6
143.04929	0.8
145.06529	1.1
147.04419	28.8
147.11681	1.4
149.05994	1.1
149.87769	0.7
151.03914	100.0
152.04303	1.2
153.05452	5.1
161.06015	3.2
163.03885	4.6
165.05499	16.9
165.12767	1.0
167.07057	1.2
169.04984	0.6
169.06471	0.9
173.06004	2.2
175.04015	1.1
175.07503	0.8
179.03433	1.0
179.07011	2.0
181.04973	6.0
189.05502	1.2
193.04955	3.8
205.08641	1.5
207.06551	2.4
209.11711	1.0
211.07533	0.6
211.17114	0.5
215.07014	1.2
217.08696	1.4
221.11745	46.9
251.12724	2.4
285.07581	3.8
294.27460	0.6
303.08649	55.3
304.09064	1.8
307.12405	0.7
341.13800	1.7
355.15637	1.0
373.16745	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	373.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05714	0.5
53.03952	0.9
55.01885	3.4
55.05502	2.1
63.36937	0.6
65.03939	1.2
67.05509	3.2
68.99786	1.1
69.03429	1.3
69.07101	0.5
71.17515	0.9
71.17834	0.6
73.81679	0.6
77.03942	0.7
79.01870	0.5
79.05501	2.3
79.41371	0.5
79.62433	0.5
80.64666	0.5
81.03423	2.4
81.07070	2.7
83.04976	2.2
83.08599	0.8
84.16223	0.6
85.02901	1.6
91.05479	4.8
93.03396	0.9
93.07053	1.4
95.04964	3.8
95.08608	1.9
97.02902	1.2
97.06554	0.9
98.18668	0.6
105.03405	1.3
105.07035	1.6
107.04951	1.9
109.02872	4.7
109.10159	1.5
111.04440	1.6
119.04939	9.7
120.05280	0.6
121.02843	0.6
121.06502	0.7
123.04440	50.5
124.04783	1.0
125.05983	0.6
127.03902	2.5
129.06999	0.8
133.06477	0.8
133.10046	0.7
135.04414	2.1
137.05977	2.4
137.09618	0.8
139.03917	15.1
145.06584	0.9
147.04424	26.1
147.11646	1.1
148.04712	0.8
151.03915	100.0
152.04266	2.3
153.04427	0.9
153.05484	5.3
156.08395	0.7
161.06009	3.4
163.03951	4.9
163.07552	0.7
165.05492	14.6
167.07065	1.8
169.06616	0.7
173.05986	2.3
175.07533	1.4
177.05426	1.8
179.07079	1.9
181.04959	4.5
187.07530	0.6
189.05438	0.8
189.09109	0.7
191.07094	0.6
193.04967	3.8
193.15935	0.6
195.08086	0.7
197.05989	0.6
199.07645	0.7
201.05484	0.8
205.08670	1.6
207.06509	3.1
209.11636	0.9
210.09073	0.8
211.07571	1.1
211.09398	1.2
217.08601	1.0
220.10591	0.9
221.11754	49.8
222.12151	1.2
233.11749	1.0
235.07545	0.9
239.07021	0.9
249.09221	0.7
251.12816	2.0
259.11258	1.1
264.31973	0.5
266.08902	0.6
266.99261	0.6
285.07544	4.3
303.08661	47.1
304.08945	1.1
313.11206	0.7
337.23605	0.6
373.12415	1.0
373.16425	2.7
373.21088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.4
55.01865	6.8
55.05513	28.2
57.03428	5.8
57.07083	15.6
67.05495	17.7
69.03439	22.8
69.07078	32.8
69.22180	31.6
71.04992	4.1
79.05495	29.6
81.03410	11.0
81.04524	3.6
81.07059	100.0
83.04993	22.4
83.08618	59.9
83.09087	1.9
85.02904	25.2
85.06537	8.6
91.05447	9.6
93.07055	31.1
95.04955	8.6
95.08602	14.7
97.02896	12.1
97.06525	14.0
99.04437	6.8
99.08101	5.4
100.11260	4.4
105.07009	14.0
107.08595	37.5
109.02882	9.7
109.06521	57.1
109.10165	36.2
111.04467	8.3
111.08075	19.7
117.07073	5.1
119.08574	9.2
121.06494	4.0
121.10161	38.7
123.04421	17.7
123.08073	9.1
123.11700	24.3
125.07078	5.0
125.13240	12.4
127.03955	17.6
129.05490	6.1
129.07010	3.4
131.08554	10.3
133.06506	4.2
133.10129	13.3
135.08122	7.6
135.11713	8.3
139.03902	57.6
139.11198	5.7
145.10091	6.4
147.04417	9.5
147.11696	5.4
149.09659	22.1
149.13263	53.2
151.03885	13.5
153.09142	4.9
157.10121	3.8
161.06087	4.0
163.14833	8.8
165.12749	4.4
167.14311	68.9
169.12230	6.6
171.10135	4.5
173.09605	3.0
173.13237	7.8
182.15404	9.1
191.14348	20.2
203.10629	16.5
209.15378	27.8
210.14861	7.0
219.10144	11.4
228.15918	3.4
285.01065	5.0
344.64316	3.4
353.19815	3.9
371.16501	11.3
371.21652	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01868	2.7
55.05499	3.8
56.85429	1.3
56.96557	2.2
57.03424	3.5
57.07052	1.6
58.77310	1.2
60.29748	1.1
61.02929	3.4
62.67685	1.3
67.05518	12.4
67.26831	1.3
67.85026	1.4
69.03429	13.4
69.07066	6.4
69.78413	7.3
70.06590	1.7
71.04994	3.4
73.04768	7.0
79.05083	1.6
79.05480	8.6
80.54642	1.2
81.03412	5.3
81.07055	14.6
83.04969	3.7
83.08627	9.2
84.04511	1.5
85.02908	31.1
85.06534	2.5
85.87659	1.1
87.04505	1.7
91.03925	1.6
91.05376	3.2
91.05791	10.7
93.07051	8.1
95.04964	5.8
95.08586	5.7
97.02908	10.0
97.06541	37.9
99.04465	2.1
99.99666	1.1
101.06038	2.5
105.07021	8.8
107.04942	1.9
107.08596	17.1
107.53902	1.2
109.02900	3.3
109.06526	100.0
109.10165	51.8
109.10781	1.0
109.10924	1.9
111.08060	2.5
117.06987	2.3
119.04916	2.5
119.08574	3.8
121.02876	4.5
121.10158	14.8
121.10986	2.0
122.06026	1.9
123.04443	11.7
123.08070	6.5
124.11257	1.9
127.03905	5.9
129.05441	2.0
131.08594	7.4
133.10146	28.7
135.08073	24.2
135.11678	1.8
137.06017	2.0
139.03906	3.4
145.04915	3.4
145.10147	3.2
147.04379	5.0
147.06593	1.4
147.42458	1.3
149.09615	3.1
149.13254	5.1
149.95605	1.2
153.01854	1.5
153.09097	8.2
158.10999	2.5
163.14813	3.9
167.14290	1.6
173.13307	10.6
173.29382	1.5
187.24081	1.3
191.14319	61.1
192.14674	1.6
205.08632	1.9
209.04446	4.2
209.15402	10.3
251.16391	1.5
268.97751	2.8
271.06009	1.7
285.00949	6.1
329.05313	1.5
355.06967	4.8
371.03967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05500	2.8
58.04190	3.1
65.03961	2.5
67.05495	4.2
68.99807	3.1
70.05879	7.4
73.02918	8.1
79.05486	8.4
81.07044	14.1
89.06033	24.9
91.05468	7.9
93.07031	8.4
93.12173	2.6
95.04964	8.0
95.08594	7.2
97.06493	2.8
98.20885	3.2
102.06808	3.8
103.05444	2.6
105.03448	2.7
105.07003	5.5
107.04945	3.7
107.08601	7.6
107.27735	2.1
109.02895	2.5
109.06555	2.6
109.10141	4.4
111.04358	2.2
111.08049	3.9
119.04938	9.7
121.10144	7.0
123.04441	100.0
123.08072	3.2
124.08112	4.4
133.08585	10.1
133.10124	42.6
135.04425	8.4
135.08012	4.6
136.02759	2.6
137.05949	3.0
137.09639	23.9
139.03905	7.0
147.04417	27.9
149.05952	4.3
149.13185	2.5
151.03922	47.1
161.05981	3.7
163.03856	8.2
165.05495	14.0
177.05469	8.4
187.03975	3.7
191.03394	8.2
191.14261	14.4
193.05020	3.9
209.15273	3.9
213.09109	3.3
215.03377	4.5
219.02942	20.8
219.10170	33.7
249.11330	3.6
269.08057	5.4
297.07629	10.8
303.08710	7.1
325.07068	19.0
325.10342	3.8
353.06516	4.8
371.07571	4.2
371.14713	10.1
394.79794	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03948	7.5
55.01871	12.5
55.05516	32.2
57.03440	10.0
57.03706	1.5
57.07061	2.1
59.05005	3.1
61.02932	13.6
67.05508	6.0
69.03083	3.0
69.03436	40.7
69.07066	3.5
70.54858	4.7
71.04985	5.8
72.91524	1.7
73.02921	5.8
79.05491	6.3
81.03420	17.4
81.07058	14.2
83.04980	56.2
83.05470	3.3
83.08620	37.1
85.02908	57.9
85.06535	4.9
87.04469	7.7
91.03962	3.7
91.05482	7.5
93.07048	11.7
95.04965	9.1
95.08614	16.3
97.02896	28.6
97.06538	11.4
97.10179	4.9
99.04471	6.7
101.06049	1.6
103.03967	7.9
105.07019	7.5
107.04940	2.2
107.08599	20.3
107.22382	1.7
109.02876	9.0
109.06528	7.9
109.10162	10.6
110.63416	1.8
110.64648	1.7
111.04456	4.2
111.08089	8.3
113.09615	2.8
115.03915	2.9
119.04935	3.2
119.08587	4.7
121.06524	5.8
121.10148	12.6
123.04421	12.8
123.08070	15.4
123.11722	6.4
125.06007	7.1
125.09647	10.6
127.03926	14.5
131.08612	4.0
133.06525	2.2
133.10152	3.6
135.11729	2.6
137.05978	4.4
139.07562	2.6
139.11174	28.6
143.08621	2.0
145.04915	10.4
145.10110	2.4
147.04396	4.3
147.08069	3.8
147.11610	2.8
149.06001	3.3
149.09573	4.3
149.13272	2.3
151.03935	6.9
151.07617	1.7
151.11185	40.8
153.09122	5.7
155.10713	3.9
159.11613	1.9
161.13249	2.3
163.11192	2.0
165.05457	2.9
167.07080	6.5
167.14319	40.3
169.12270	6.4
173.13301	2.9
179.14336	2.6
181.12236	45.7
185.08096	6.3
191.14307	5.4
193.08617	2.1
195.10220	2.9
209.15369	100.0
219.10144	8.8
233.15346	9.1
237.14793	2.0
275.16422	2.8
295.15405	3.1
309.66315	2.1
313.16187	1.8
313.75140	1.7
335.18539	4.4
353.19571	3.9
371.14926	7.6
371.20691	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	371.149
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
53.03953	2.3
55.01872	2.3
55.05524	4.9
65.03936	3.0
67.05508	6.6
68.67841	1.0
68.99791	1.4
69.03428	1.3
69.07072	4.4
73.04756	1.0
77.03912	1.9
79.05508	5.6
81.03411	4.7
81.07056	10.4
83.04970	1.4
83.08643	1.7
85.02911	2.0
91.05444	10.3
93.03437	1.7
93.07040	3.5
95.04974	4.9
95.08614	5.1
97.06557	1.1
97.10113	1.1
101.06063	1.3
103.05495	1.5
105.03410	1.9
105.07022	3.0
107.04977	3.4
107.08558	1.9
109.02908	8.6
109.06503	1.4
109.10161	4.2
117.07043	1.4
119.04950	25.7
119.08562	1.4
121.06516	2.9
121.10157	1.3
123.04435	91.4
123.08102	3.7
124.04768	1.8
126.08665	1.1
129.05515	1.3
131.04930	1.7
131.08620	2.1
133.06509	1.4
133.10091	1.1
134.97821	1.0
135.04416	4.0
137.05956	1.9
139.03903	3.9
143.04924	2.4
145.10138	2.1
147.04419	78.4
149.05980	18.8
149.09628	2.7
150.85608	1.3
151.03906	70.9
155.08556	1.3
159.04396	1.5
159.08020	2.0
161.05980	10.5
163.03886	7.2
165.05476	36.0
169.04956	9.0
173.05977	1.4
173.09657	1.7
177.05472	16.3
177.09071	2.1
179.07051	3.8
181.04921	6.6
189.05479	1.7
201.09148	2.5
207.06531	6.9
207.10204	1.8
219.10165	100.0
220.10666	1.8
231.10112	2.5
249.11317	5.1
303.08627	8.4
303.85257	1.2
312.83694	1.4
329.10025	1.1
338.77975	1.2
339.12503	1.4
353.13828	3.9
371.11176	3.1
371.14929	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
52.24469	1.1
53.03933	2.4
55.01870	3.4
55.05500	4.4
59.89072	1.1
65.03925	1.8
67.05495	8.3
69.03387	1.8
69.07054	5.3
71.51187	1.8
73.04736	1.1
77.03932	1.4
78.77268	1.1
79.05502	7.0
81.03403	4.4
81.07053	10.4
83.04983	2.0
85.02922	2.9
91.05463	10.5
93.07045	5.1
95.04974	5.8
95.08615	4.6
97.02883	1.8
97.10145	1.7
103.05470	2.3
105.03390	1.5
105.07022	5.5
107.04965	5.1
107.08610	2.7
109.02905	8.3
109.06527	1.7
109.10143	6.4
110.42589	1.2
111.04430	2.4
115.05445	3.9
117.07059	1.4
119.04948	24.8
119.08556	1.8
121.06499	3.4
121.10220	1.7
123.04433	100.0
123.08083	5.0
125.09577	1.7
127.03968	2.0
129.07013	1.8
131.08534	1.3
133.06485	1.8
133.10228	1.5
135.04439	4.0
137.02318	2.1
137.05998	2.4
139.03886	6.4
143.04916	5.4
145.06407	1.3
145.10190	1.5
147.04411	60.9
149.05980	38.7
149.09642	4.1
151.03903	55.3
151.05141	2.2
151.07637	1.2
159.08078	1.8
161.05975	17.7
163.03955	7.0
165.05472	39.9
167.07028	2.2
169.05011	5.5
172.19234	1.2
173.05991	1.5
177.05453	10.9
177.09100	1.6
179.07034	4.5
181.04947	8.3
189.05486	2.6
191.07047	1.8
193.04900	1.6
201.09134	3.4
203.10751	1.1
207.06511	11.7
207.10175	3.8
217.08745	1.6
219.10168	88.6
231.10149	3.2
249.11264	4.7
267.06354	1.5
285.07629	1.3
303.08640	15.0
303.11926	2.0
310.12521	1.4
311.12671	1.3
335.92453	1.2
339.12326	2.3
353.13770	3.8
371.11285	2.3
371.14926	41.8
371.25043	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	371.1491
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
50.74633	0.9
51.02387	0.8
51.06603	0.8
51.28024	0.8
53.03944	2.7
54.60452	0.8
55.01870	4.2
55.05498	3.8
56.50784	0.7
57.03416	1.2
58.83423	0.8
65.03941	1.1
66.95510	0.8
67.05498	6.4
68.21036	0.9
68.99782	1.6
69.07064	1.2
76.03777	0.7
77.03889	1.1
79.05491	6.7
81.03429	4.7
81.07057	8.9
83.04993	0.9
85.02901	1.0
91.05479	12.3
93.07040	4.5
95.04958	3.9
95.08643	4.3
97.02870	1.2
97.10145	1.5
99.04507	0.9
103.05449	2.4
105.03375	1.4
105.04503	1.0
105.07028	3.2
107.04974	1.8
107.08627	1.5
107.27179	0.9
109.02882	3.9
109.10155	3.2
111.04467	1.1
115.05457	2.7
119.04951	23.4
121.02850	1.5
121.06481	1.7
123.04433	100.0
123.08041	4.5
124.04790	1.1
125.02316	1.4
125.09620	1.4
127.03875	1.3
129.05553	1.1
129.07018	1.0
131.04921	2.2
133.06465	2.2
133.37662	1.0
135.04431	2.7
137.02341	2.0
137.05980	3.7
139.03914	6.8
143.04933	4.7
147.04417	73.3
149.05978	34.9
149.09587	1.3
151.03912	65.8
159.04382	1.2
161.05995	15.4
163.03941	5.4
163.07471	1.0
165.05481	42.3
167.07037	1.6
168.28781	0.8
169.05049	1.0
173.11674	1.1
177.05507	9.3
177.09109	1.5
179.07043	6.7
181.04956	6.0
187.07657	1.0
189.05457	2.8
191.07054	2.1
193.05022	1.9
201.09203	1.9
203.10687	0.9
205.08528	1.3
207.06512	13.1
207.10162	6.3
217.08575	1.2
219.10172	68.1
220.10515	1.6
220.37772	0.8
231.10161	2.4
232.17398	1.0
247.09676	1.1
249.11205	7.1
265.08411	1.6
285.07712	1.8
303.08679	11.9
307.09613	1.3
311.12793	1.5
321.11032	1.0
325.10605	1.0
339.12302	6.0
353.13931	4.2
371.11322	2.1
371.14923	48.4
371.24649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
53.03938	1.6
55.01868	2.3
55.05516	1.0
55.66479	0.7
65.03925	1.1
67.05493	3.1
67.05913	0.6
67.53632	0.6
68.99776	2.8
69.03432	1.1
69.07043	0.8
71.02802	1.3
73.35682	0.6
74.47581	0.7
79.05494	5.3
81.02970	0.7
81.03409	2.8
81.07059	13.5
85.02878	0.8
87.48592	0.7
91.05492	7.0
93.07069	1.7
95.04973	4.0
95.08608	2.9
97.06522	0.7
103.05450	1.1
105.03406	2.6
105.07020	1.8
107.04952	2.3
107.08563	1.3
109.02891	3.2
109.10149	1.4
111.04420	0.8
115.05450	1.5
119.04948	19.9
119.08598	0.8
121.06503	1.2
123.04434	85.7
123.08047	4.0
124.04768	0.9
125.02368	1.6
127.03916	0.7
131.04814	0.9
131.08607	0.9
133.02841	0.7
133.06485	1.5
135.04396	3.1
135.08043	0.8
137.02296	1.0
137.05992	2.5
139.03891	8.1
143.04904	1.2
143.08484	0.8
147.04419	54.5
148.04807	0.8
149.05995	7.8
149.09662	0.9
151.03911	100.0
152.04254	1.1
153.05544	0.9
161.05995	4.4
163.03931	6.3
163.07610	0.9
165.05489	32.0
165.06897	1.5
165.09120	0.9
166.05884	0.9
173.06036	3.6
175.03766	1.0
175.07610	0.8
177.05495	11.2
177.09105	1.0
179.07100	1.1
181.05006	3.4
189.05498	2.1
191.07039	2.0
191.10622	0.9
193.04997	1.4
193.08598	2.1
201.09189	2.5
203.10739	1.1
207.06560	3.8
207.10168	1.7
219.10168	77.1
220.10544	1.8
231.10202	2.8
249.11133	4.1
303.08655	13.9
339.12344	1.4
353.13846	3.4
371.14893	19.3
372.15335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
50.01603	0.5
51.02383	0.9
53.03941	1.3
55.01858	3.0
55.05510	2.1
57.03432	0.8
57.07084	0.6
65.03609	0.4
65.03946	1.3
67.05501	3.6
68.99792	2.0
69.03424	1.7
69.07069	1.1
70.85958	1.2
70.86317	0.5
71.01357	0.9
71.04993	1.4
73.04742	0.6
75.31348	0.5
77.03936	1.3
79.05494	7.6
81.03417	2.2
81.07057	15.9
82.06581	0.8
83.04993	1.4
83.08586	1.0
85.02916	2.6
87.02677	1.6
91.05481	10.5
93.03378	0.8
93.07060	3.1
95.04372	0.8
95.04974	15.1
95.08609	4.0
97.02895	1.0
97.06505	0.8
99.04457	2.3
100.11258	2.4
103.05463	0.9
105.03400	1.9
105.07016	2.3
107.04939	2.8
107.08600	1.7
107.69708	0.5
108.08152	0.7
109.02861	4.1
109.03418	0.4
109.06524	0.6
109.10164	3.1
111.04445	1.5
111.08121	0.8
115.05467	1.1
117.07017	1.0
119.04946	21.4
119.08583	1.1
121.02869	0.8
121.06506	1.9
121.10140	0.8
122.09719	0.7
122.54729	0.6
123.04430	92.9
123.08005	3.3
124.04742	1.1
125.02303	1.1
127.03942	1.0
129.07005	0.7
131.04936	1.2
131.08577	1.2
133.06485	1.6
133.10127	2.0
135.04387	3.5
135.08026	0.9
137.02347	0.9
137.05974	3.0
137.09537	0.7
139.03899	7.7
143.04929	1.4
143.11757	0.6
145.06502	0.6
145.10120	1.1
147.04410	60.2
148.04697	0.8
149.05995	7.4
149.09654	1.6
151.03905	100.0
152.04245	1.9
153.05458	1.3
153.09076	2.5
155.08548	0.7
156.08437	2.1
157.06352	0.5
159.04465	0.8
159.08078	0.7
161.05983	5.2
163.03896	5.7
163.07553	1.0
165.05482	34.0
167.07025	0.9
169.65077	0.6
173.05989	1.6
173.13380	0.5
175.03809	0.5
177.05464	10.8
177.09090	1.5
179.07031	1.6
181.04988	2.6
181.06409	0.7
182.15414	0.8
187.07571	0.9
189.05486	2.1
189.09073	0.9
191.07079	1.3
191.10658	0.7
191.14375	1.6
193.04994	1.1
193.08611	0.8
195.10275	0.7
197.05772	0.6
199.07610	0.5
201.09039	2.4
203.10690	1.4
205.08549	0.7
207.06503	3.7
207.08330	0.7
207.10219	2.0
209.15404	3.1
210.14809	0.9
217.08553	1.3
219.10164	77.7
219.25858	0.5
220.10522	1.5
225.15924	0.7
226.12529	3.0
231.10159	3.1
234.06599	0.5
235.07744	0.5
249.09061	1.1
249.11234	4.0
253.08632	0.8
253.11838	2.6
261.08981	0.6
261.11417	0.6
263.07187	0.5
265.08789	0.7
277.08597	1.3
285.07553	1.8
289.71817	1.4
293.08044	0.6
293.11395	0.7
303.05103	0.7
303.08618	15.8
307.09726	0.8
309.11111	0.6
317.10242	0.7
321.11191	0.7
329.10196	0.7
339.12280	2.6
353.13837	4.0
371.14871	22.5
372.15164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
51.02369	1.5
53.03945	2.8
55.01866	3.2
55.05506	2.9
57.07071	1.4
65.03925	3.5
67.05506	6.3
67.99944	1.2
68.99789	1.4
69.03439	2.4
69.07060	1.9
69.37743	1.0
70.75629	2.9
79.05498	9.0
81.03398	3.7
81.07057	17.6
85.02883	1.7
91.05473	13.5
93.03380	1.9
93.07039	4.3
95.04948	3.3
95.08601	4.5
105.03416	2.5
105.07011	2.6
107.04956	2.3
107.08552	1.9
109.02870	6.3
109.10140	4.3
111.04429	1.9
115.05445	1.6
119.04945	32.8
121.06499	2.9
123.04431	100.0
123.08037	4.1
125.02341	1.5
127.03968	2.2
131.08607	1.5
133.06444	1.7
135.04411	4.1
136.88837	1.3
137.02260	1.2
137.05957	2.5
139.03935	7.2
141.02126	1.2
143.04895	1.9
147.04414	79.2
148.04761	1.8
149.05988	19.5
149.09631	2.4
151.03906	82.9
153.05492	1.7
161.06010	10.2
163.03886	6.7
165.05476	37.1
167.07016	1.3
169.04979	1.9
175.04045	1.9
177.05499	10.6
177.09099	2.2
179.07022	2.7
181.04964	7.8
189.05469	3.1
193.05089	1.7
201.09045	2.9
203.10611	2.2
207.06520	6.7
207.10156	1.7
215.19107	1.3
219.10158	67.7
220.10435	1.6
231.10155	2.4
249.11313	3.1
261.11362	1.4
285.07565	2.1
303.08630	19.0
339.11945	1.9
353.13828	4.0
371.11179	2.2
371.14917	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	371.1493
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
50.91479	0.9
51.02380	0.9
53.03947	3.1
55.01871	2.6
59.36317	0.8
65.03938	2.9
67.05505	3.5
67.40244	0.9
68.99802	1.8
69.03436	1.5
69.26384	4.5
69.26812	4.0
77.03936	1.6
79.05499	6.8
81.03421	2.4
81.06589	1.2
81.07071	17.4
89.53063	0.9
91.05492	44.3
93.07043	3.2
95.04985	3.0
95.08595	3.0
105.03403	3.4
105.07028	2.6
107.04956	2.1
107.08588	1.2
109.02883	4.4
109.10162	1.4
115.05503	1.7
116.24174	1.0
119.04961	24.8
121.06545	1.4
123.04449	97.5
123.08067	4.3
127.03971	1.5
131.04965	1.1
133.06543	1.7
135.04436	3.7
137.02368	1.7
137.06013	2.8
139.03934	9.6
143.04945	1.2
145.06523	1.0
147.04433	66.0
149.06009	7.9
149.09615	1.0
151.03922	100.0
161.06009	6.1
163.03952	5.2
163.07530	1.6
163.11165	0.9
163.18736	0.8
165.05499	37.8
165.06897	1.9
173.05971	1.3
177.05524	9.8
179.07031	2.5
181.04991	3.2
189.05461	1.7
191.07056	1.9
193.05110	1.6
201.09187	2.0
203.10677	1.6
207.06557	3.7
207.10228	2.9
219.10184	75.9
220.10577	1.5
231.10182	1.9
239.07036	3.1
249.11349	4.7
257.07983	1.2
261.11429	1.2
285.07556	2.2
303.08658	17.7
314.80188	1.1
323.09329	1.7
335.09137	1.7
353.13852	3.3
371.14969	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14870	15.0
69.02995	16.8
69.03413	19.0
70.02362	37.4
70.02757	29.9
78.43575	14.3
107.14684	17.1
131.14095	15.5
153.17039	16.2
261.04556	46.2
262.04807	17.9
301.69946	15.5
353.15363	15.2
369.78549	16.3
371.06744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
53.16508	3.9
55.01870	9.3
57.03438	13.6
58.81016	4.5
59.82764	4.6
60.05642	6.0
61.02924	12.8
62.72606	4.0
65.68741	3.6
67.05490	3.9
69.03436	51.8
69.07056	5.0
69.41112	24.7
69.41525	7.0
70.03755	5.6
70.06594	8.7
70.13445	4.3
70.14766	3.9
71.04995	4.3
73.02918	14.6
73.04768	23.4
81.03419	20.3
84.04476	4.2
84.08138	15.2
85.02914	100.0
86.03262	5.4
87.04457	7.9
91.03950	5.0
91.05853	37.5
93.07007	5.5
97.02895	47.3
98.97564	5.0
99.04454	11.8
101.00879	12.7
105.03366	5.7
107.04934	4.5
109.02895	10.4
113.00869	7.2
119.01933	18.7
119.04942	18.7
127.02465	5.9
127.03926	47.5
131.01904	15.0
133.03535	6.3
137.06004	53.6
139.02493	5.7
139.03937	6.8
143.01898	14.3
145.03421	14.6
145.04970	18.1
147.04385	51.0
150.05513	56.5
155.01917	17.2
157.03496	12.0
161.02982	17.9
167.07042	4.7
169.03474	11.6
173.02898	9.7
174.04622	7.6
177.01019	20.9
177.05518	6.4
179.07043	16.1
181.03424	10.7
185.02945	27.1
187.04517	8.9
189.04379	5.4
191.02489	10.6
191.05527	5.5
195.05048	13.5
196.02170	5.2
197.02983	6.0
200.06027	12.5
203.02348	7.7
203.04042	15.8
209.09171	13.1
211.04640	5.1
213.06099	22.1
215.04034	8.1
219.02017	27.1
219.05142	22.0
220.02116	14.6
223.04498	4.9
229.00388	8.3
230.00528	5.0
231.07149	11.8
233.03596	12.1
233.06522	6.4
235.04503	16.6
236.07372	5.3
237.02803	4.9
237.06021	21.3
238.03188	6.3
239.04005	7.9
244.04318	24.7
245.05119	20.8
246.05403	6.2
247.01431	7.4
257.08725	11.0
261.04562	12.6
264.04767	5.3
265.02704	4.7
268.97690	6.3
269.14523	11.8
272.08148	24.7
272.58231	7.7
277.07507	6.2
279.07190	10.3
281.08646	10.7
285.00931	19.9
291.07117	6.6
297.08243	10.8
299.06110	7.8
307.06677	6.0
309.05820	7.5
311.06161	25.2
321.08267	10.2
323.09955	5.6
329.01926	13.0
329.07083	12.7
347.03076	15.9
348.03058	5.9
348.06955	14.3
355.06931	15.5
363.09290	8.7
365.03809	4.8
371.12106	10.3
381.10382	16.3
382.10614	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.5
55.01860	9.2
55.05515	54.7
56.96530	3.7
57.03223	2.3
57.03442	24.4
57.07073	8.0
58.92720	2.8
65.03935	5.0
67.05510	100.0
69.03433	3.4
69.07072	40.1
69.99170	13.3
71.04984	7.5
71.08643	29.3
79.05074	4.4
79.05498	64.0
81.03413	13.9
81.06596	4.9
81.07062	92.2
83.04977	15.0
83.08624	30.9
85.02887	5.7
85.06530	9.1
88.63064	2.9
91.05494	40.6
93.07051	78.9
95.04979	28.9
95.08620	53.8
97.06542	17.8
97.10150	9.7
99.08095	28.4
105.07046	41.7
107.04958	6.0
107.08616	47.4
109.06483	9.8
109.10156	25.7
111.08065	10.5
117.07034	14.6
119.08587	22.0
121.06548	7.7
121.10152	27.7
123.08047	5.3
123.11700	8.8
125.09648	13.5
128.06241	3.8
129.07011	8.4
131.08575	15.6
133.10144	26.1
135.08064	6.4
135.11705	22.6
137.05989	12.6
137.09608	5.7
137.13234	3.9
139.11172	5.0
143.08556	5.6
145.10069	9.3
147.11697	13.8
149.09615	4.7
149.13306	23.5
151.11185	41.8
157.10139	4.5
159.11687	11.0
159.72842	2.8
161.09615	4.1
161.13266	16.0
163.03905	4.2
163.11195	10.3
165.12746	5.8
171.11694	9.1
173.11711	10.0
173.13159	5.3
175.14757	6.2
177.12672	8.6
179.14314	13.8
183.11736	4.6
185.13307	5.8
189.11197	14.2
189.12701	4.1
193.10088	3.5
195.11615	2.9
195.13849	11.5
197.13249	3.3
199.14934	5.3
203.05782	2.9
227.12746	5.4
229.07388	4.3
231.21056	5.2
241.19495	8.5
245.13934	4.9
259.20486	15.0
269.17554	43.0
277.21646	67.8
337.10306	4.1
347.15152	5.8
351.25589	24.5
369.13318	9.9
369.26114	16.5
370.23489	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01876	16.1
55.05281	4.5
55.05517	72.2
57.03447	21.0
57.07061	5.1
65.03933	4.6
67.05184	5.4
67.05512	72.8
69.03451	4.0
69.07069	33.0
69.35066	6.1
69.35474	19.8
71.04990	7.4
71.08632	42.0
79.05499	46.6
81.03415	4.8
81.06594	5.6
81.07065	100.0
83.04965	10.6
83.08630	51.7
85.06533	8.4
85.10178	4.2
91.05486	39.9
93.07057	43.9
94.98511	3.3
95.04962	12.6
95.08611	63.6
97.06540	19.7
97.10163	8.6
99.08102	42.7
105.07045	42.6
107.04919	5.7
107.08610	24.9
109.06512	11.1
109.10160	20.2
111.08096	23.8
113.09663	10.8
117.07027	6.4
119.08598	28.7
121.06496	3.2
121.10145	26.0
123.08057	7.4
123.11705	19.0
128.79509	2.8
129.06985	9.9
131.08553	12.6
133.10132	20.4
135.11693	10.5
137.05922	2.9
137.09531	4.0
137.13252	3.4
139.11209	8.4
143.08575	4.9
145.10089	10.2
147.08055	3.1
147.11723	37.7
149.09644	10.8
149.13246	17.7
151.11195	10.7
151.88234	3.0
153.12669	3.1
157.10127	8.5
159.11710	8.7
161.13300	12.1
163.11171	10.5
165.12775	27.1
167.14337	5.0
171.11707	6.9
173.11752	4.5
173.13202	4.3
175.11198	8.7
175.14810	5.6
179.14290	12.2
183.67877	3.1
185.13341	5.5
189.12769	3.1
193.12263	3.6
195.13759	4.1
201.08900	3.4
207.13756	4.5
231.21019	5.3
243.65935	2.7
249.21992	6.1
259.20578	9.6
277.21652	64.2
295.22839	13.9
306.27814	3.5
351.25516	6.9
369.13013	4.8
369.26706	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01868	9.3
55.05273	4.9
55.05516	49.5
57.03448	18.2
57.07074	7.5
65.03932	6.4
67.05511	100.0
69.03425	6.8
69.07076	32.2
69.75270	19.1
71.04994	10.9
71.08643	44.2
79.05496	65.2
81.03419	19.2
81.07061	94.0
83.04972	14.9
83.08625	29.5
85.02894	5.8
85.06538	7.3
91.05483	50.8
93.07053	60.5
95.04971	26.1
95.08620	50.6
97.06526	18.3
97.10193	25.3
99.08093	45.5
105.07032	44.7
107.04947	4.6
107.08604	44.6
109.06521	9.6
109.10157	28.7
111.08063	8.0
113.09684	4.7
117.07066	9.0
119.04965	3.2
119.08604	22.4
121.10157	20.5
123.08070	4.6
123.11682	7.4
125.09637	25.6
125.10416	3.8
129.07007	4.8
131.08560	12.7
131.11110	4.0
133.10104	17.9
135.08070	5.9
135.11667	24.5
137.05963	4.2
137.09692	3.6
137.13257	3.4
139.71185	3.6
143.08603	8.4
145.10107	11.2
147.11710	16.9
149.09692	4.2
149.13306	21.3
151.11195	57.1
157.10123	5.7
159.11717	10.6
161.13278	17.3
163.03931	5.0
163.11185	16.9
163.14935	4.5
165.12726	18.3
169.12303	4.2
171.11707	5.1
173.11836	17.9
173.13188	5.6
175.14859	7.0
177.12805	5.5
179.14308	13.5
185.13281	6.7
189.11211	32.6
189.12724	7.3
195.13841	6.8
217.19646	4.7
227.12785	18.2
231.20953	3.8
241.19435	9.3
245.13855	15.4
249.22069	3.5
253.18024	6.4
259.20630	13.0
269.17514	29.7
277.21652	79.0
295.22650	20.0
337.10678	8.1
340.06808	3.4
351.25348	31.0
369.13144	12.8
369.26718	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	369.1336
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
52.07990	0.7
55.01868	2.5
55.05500	2.1
55.93071	0.8
57.07079	5.6
65.03949	1.2
67.05500	1.4
68.99796	4.1
69.07064	1.6
69.88610	2.9
76.16425	0.8
77.03941	1.0
83.05002	2.2
85.06537	2.9
91.05493	6.0
91.08696	0.8
93.03431	1.2
95.05009	1.0
97.02888	0.9
97.06533	2.4
98.20826	0.9
103.05465	2.5
103.78565	0.8
105.07009	0.8
107.04994	0.9
111.00823	3.3
111.04431	5.3
115.05453	3.2
117.07042	1.3
118.64169	0.7
119.04950	5.1
119.08591	0.9
121.02889	1.5
123.04439	12.6
129.07028	2.1
131.04932	7.1
133.06567	0.8
135.04449	1.6
137.06007	1.9
139.03911	100.0
141.06985	1.5
143.04921	5.8
143.08609	1.2
145.06497	2.5
145.10106	1.7
147.04446	6.1
149.02374	1.3
149.05997	9.3
151.03918	2.9
152.06230	1.2
153.01843	1.5
153.05489	0.9
153.06972	0.9
153.88284	0.8
155.08530	1.9
157.06541	0.8
159.04385	1.2
159.08049	1.2
160.05200	2.6
161.05997	12.7
162.06775	1.3
163.03917	31.6
163.07518	1.1
165.05540	1.3
165.06970	1.5
167.03410	9.8
167.07204	1.0
167.08589	3.1
169.06650	0.8
169.10153	1.8
171.08052	1.2
173.06007	9.5
173.09642	3.1
174.06758	1.3
175.03922	9.0
175.07576	3.2
176.04694	2.2
177.05498	4.4
177.09152	1.3
179.03421	1.1
179.08607	1.4
181.06544	1.6
183.08087	1.1
185.09679	2.3
187.07545	2.4
189.05492	14.7
189.09135	2.3
191.07014	1.7
191.10704	6.9
195.08095	4.9
197.05977	1.6
197.09631	1.4
198.06775	0.9
199.07536	1.7
200.08405	1.2
201.05441	2.6
201.07433	0.9
201.09138	4.5
203.10648	4.3
205.08665	1.8
207.06544	10.8
207.08202	1.4
210.06900	1.1
211.07431	1.1
213.05545	1.5
213.09135	5.3
215.07112	0.8
215.10669	6.4
219.10162	16.2
221.05940	0.8
225.09125	3.2
226.71599	0.8
229.05005	1.4
231.10170	9.3
237.05492	2.3
239.07074	1.0
239.10716	1.0
243.10161	5.4
253.05032	0.9
255.06497	1.2
263.07086	2.5
265.05054	1.6
266.05774	1.9
267.06546	2.2
271.06046	1.0
279.06534	2.9
280.07361	1.2
281.08047	1.1
282.05075	1.6
283.06018	8.8
284.06604	1.1
285.07611	4.2
285.11038	1.2
291.06476	1.4
294.05170	1.1
295.05966	12.0
297.07614	1.9
303.06750	1.1
308.06790	7.1
309.07565	12.8
311.05731	0.9
313.07071	1.2
321.07562	0.9
321.11142	1.2
322.08307	2.6
325.10797	2.2
327.12274	1.0
339.12213	5.9
341.13766	4.0
351.12308	26.0
369.13367	48.1
370.13895	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03941	0.9
55.01871	1.8
65.03936	1.9
67.01857	1.0
67.05469	1.1
68.99789	4.1
69.03424	1.0
69.07069	1.2
69.62476	4.0
70.06590	0.9
72.97256	0.7
78.41478	0.6
79.05477	1.5
79.45603	0.6
79.76179	0.7
83.04985	1.0
87.92438	0.6
90.47530	0.7
91.05475	1.9
93.03377	1.5
95.05005	1.2
97.02922	0.8
97.06524	1.9
103.05459	1.6
105.07025	1.4
107.04947	1.3
111.00790	2.2
111.04440	4.9
115.05513	1.0
117.07011	1.2
119.04932	0.6
121.02885	0.8
123.04427	12.9
127.03918	1.0
128.06252	1.3
129.06987	2.4
131.04907	3.0
131.08572	1.3
133.06523	1.4
135.04463	1.4
137.05986	2.1
139.03911	100.0
139.12123	0.6
140.04256	1.4
141.06987	1.9
143.04845	1.0
143.08582	1.2
145.06482	1.3
145.10138	1.4
147.04375	1.8
149.06012	5.9
151.03946	2.7
153.01813	0.8
153.05464	1.7
153.06938	1.2
155.08591	2.1
157.06502	1.1
159.07979	1.2
160.05205	3.0
161.06000	7.1
163.03912	33.0
163.07545	1.3
165.05547	1.1
165.06976	1.5
167.07025	1.8
167.08495	0.9
169.06483	0.9
169.10161	0.8
173.05972	3.8
173.09628	2.2
174.06758	0.8
175.07562	5.1
176.05020	0.6
177.05481	2.0
179.03406	7.5
179.08646	0.8
181.04936	1.1
183.08101	0.8
185.06001	1.0
185.09671	0.9
186.06725	0.7
187.07549	3.6
189.05505	1.1
189.09084	6.9
191.07109	1.3
191.10692	7.3
195.08102	1.6
197.09621	1.9
199.07526	1.3
200.08324	1.1
201.05469	2.8
201.09119	10.4
203.10699	2.1
205.08772	0.7
210.06773	1.1
211.07562	1.4
213.09103	2.1
214.06294	1.5
215.06970	1.2
215.10648	6.2
217.08607	2.1
219.10170	15.9
221.05936	1.1
225.05536	0.7
225.09123	3.8
229.04970	2.0
229.08653	0.9
231.10167	6.2
239.07095	1.5
239.10805	0.9
243.10185	8.4
267.06622	1.7
279.06488	1.7
282.05331	1.2
283.05975	1.3
285.07632	1.3
295.06049	11.2
308.06836	1.1
309.07620	3.0
311.05731	1.0
313.07068	19.1
313.10510	0.9
321.07825	0.9
322.08463	2.5
323.09058	1.7
325.10812	3.4
333.11200	0.9
351.12299	12.1
369.13397	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	369.1335
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
50.04725	1.5
55.01881	1.9
62.45046	1.4
66.12051	1.4
67.01828	1.6
67.05494	2.8
67.50121	1.4
68.99792	4.2
69.89185	2.4
69.89597	5.5
79.05511	2.5
91.05507	2.1
92.83454	1.5
95.04970	2.2
97.06548	3.4
103.05482	1.8
105.07018	3.0
107.04958	3.0
111.00821	1.8
111.04433	3.4
115.05446	4.0
117.07046	1.9
121.02847	2.2
123.04456	16.9
128.06256	1.8
128.32359	1.6
129.07011	2.9
131.04930	4.7
135.04398	1.8
137.06009	5.7
139.03914	100.0
143.04938	2.2
143.08604	2.1
145.10172	2.0
147.04454	1.9
149.05972	8.7
151.03954	3.4
153.05544	3.1
157.06541	4.0
160.05211	5.3
161.05972	13.3
163.03925	48.4
165.05455	2.3
167.03404	2.2
167.07025	1.9
169.10042	1.8
173.06015	2.8
173.09642	3.3
175.07521	7.2
177.05408	2.2
177.09137	2.1
179.03433	8.6
187.07602	4.0
189.09151	7.8
191.10757	9.0
197.06018	2.9
197.09613	3.3
201.05312	1.9
201.09117	13.0
213.09123	3.3
215.10721	5.9
219.10175	33.5
225.09071	4.7
231.10233	4.6
241.08704	2.0
243.10222	6.4
256.92300	1.6
276.56433	2.0
283.05984	2.3
295.05994	4.4
296.06332	1.9
309.07635	3.9
313.07114	6.1
322.08463	3.5
323.09055	2.2
325.10580	4.5
328.11316	1.7
351.12302	15.4
355.07443	1.6
369.13495	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64768	0.9
56.05041	9.7
56.36117	1.0
58.06610	1.9
67.05512	2.2
69.07062	1.2
70.06596	17.2
71.05002	2.2
71.51466	1.4
72.08157	13.4
81.03423	1.1
81.07049	1.2
84.04507	5.4
84.08151	5.7
91.05474	3.1
96.02408	1.1
96.04520	1.6
96.36018	0.9
100.07635	2.5
102.09176	2.9
105.07069	1.1
106.06569	4.6
107.08621	1.1
110.07202	2.2
113.07133	35.7
113.07935	1.7
119.04942	1.8
125.66102	1.1
127.08694	4.9
128.03453	1.4
139.03893	1.8
143.08168	100.0
147.04459	4.1
148.04773	1.2
157.06073	2.6
161.09235	1.5
169.13412	2.5
171.11354	2.5
174.03986	2.5
185.12860	55.3
215.43620	1.2
250.13927	1.4
262.11877	39.9
299.09885	2.6
304.16562	86.3
305.16803	2.1
322.21170	1.2
368.16837	1.7
368.21777	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	368.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.05513	7.1
55.93518	1.4
56.05037	48.8
57.07059	1.4
58.06599	1.2
67.05506	3.3
68.43208	0.8
69.03419	1.3
70.06603	1.8
70.67978	0.9
71.51701	1.4
79.05497	1.1
82.06586	1.5
83.04986	2.4
84.04522	5.3
84.08147	37.5
85.02899	1.3
86.09723	6.5
86.10184	1.1
93.29954	0.9
95.08602	1.4
97.02889	1.2
110.07140	2.5
112.11287	1.2
121.02888	1.3
122.06021	2.0
127.08683	100.0
136.27721	0.9
139.03896	3.9
140.04262	1.1
141.06567	3.4
144.95830	1.1
147.04486	1.1
151.11212	1.0
155.11813	2.0
165.97139	3.8
169.13373	60.9
183.98108	1.3
189.12807	1.4
194.97363	2.0
212.98451	1.6
220.06488	1.2
224.98308	1.6
233.96239	1.6
234.75323	0.9
241.98752	3.0
262.11871	40.3
263.12274	1.2
265.98724	2.1
280.00073	0.9
304.16559	84.1
305.16861	2.2
354.00427	1.3
368.02036	1.3
368.11966	2.3
368.16602	1.2
368.21698	3.9
369.02582	1.6
378.63165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82787	0.2
52.84587	0.2
53.03955	0.2
55.05514	5.4
56.05040	6.6
57.03433	0.7
59.02514	0.2
62.82610	0.2
67.05502	0.5
69.00922	0.4
69.07082	0.4
69.99316	2.9
70.06593	0.6
70.76106	0.4
71.04994	0.6
72.08170	0.4
73.06550	0.7
78.24903	0.2
79.05495	0.6
81.07063	0.2
84.04524	0.5
84.08154	4.3
86.09694	0.8
87.01963	5.8
91.05482	0.3
92.67110	0.2
95.04930	0.3
97.06538	2.9
98.06062	6.9
98.20826	0.2
99.01968	0.5
99.04459	1.3
100.11282	0.4
104.04990	0.6
105.05785	2.2
105.06953	0.2
106.05855	0.3
106.06564	5.8
112.11214	0.2
115.08706	0.4
121.06519	0.4
123.04446	1.4
127.08689	14.9
128.09006	0.2
131.06129	0.5
139.03917	1.1
141.06599	100.0
142.06976	1.4
148.11227	0.4
150.77364	0.2
155.08546	0.2
157.13373	1.8
163.03893	2.2
169.13379	8.1
182.15411	0.3
201.09102	1.9
219.10187	2.5
246.12411	7.6
247.12834	0.3
283.06226	0.4
288.17081	12.9
289.17294	0.5
298.22006	0.2
325.10510	0.3
368.16403	15.3
368.28928	0.3
369.12912	0.4
369.17099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.62192	0.4
57.03435	0.7
61.02916	0.9
68.82251	0.4
69.03439	1.8
70.56069	1.1
71.04975	0.5
77.02631	0.3
81.03413	0.7
85.02914	5.7
91.03999	0.4
97.02870	1.9
99.04441	0.5
106.44790	0.3
109.02850	0.5
127.03903	1.2
132.04457	7.5
145.04948	1.3
160.03946	1.7
178.05002	62.5
179.05321	1.1
206.04494	100.0
207.04854	1.7
238.03117	0.3
290.04608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
55.01865	9.4
55.05510	35.1
55.32283	3.3
57.03431	12.1
57.07076	11.7
58.86925	3.6
60.79655	3.7
65.03944	7.7
67.05507	93.4
69.03418	9.3
69.07064	49.3
71.04995	8.7
71.08661	5.2
79.05502	49.4
81.07061	100.0
82.77931	3.9
83.04988	10.8
83.08636	21.0
85.06538	11.2
91.05486	69.7
93.07050	91.1
93.07628	5.7
95.04967	31.8
95.08609	75.4
95.09183	6.9
97.06538	16.1
97.10191	9.6
98.21519	12.5
99.42753	4.1
103.05460	7.4
105.06327	4.6
105.07040	97.2
107.04950	6.7
107.08601	69.0
109.06540	17.1
109.10158	50.9
111.08107	4.4
115.05499	5.5
117.07024	26.0
119.08600	96.0
121.06524	10.6
121.10149	56.0
123.08061	9.6
123.11724	25.7
125.09613	5.7
128.06238	9.1
129.07024	16.4
130.07825	8.3
131.08583	62.1
133.10127	73.0
135.08028	21.4
135.11705	21.3
137.09618	6.6
141.07022	8.2
142.07803	19.8
143.08568	44.6
144.09335	7.4
145.10132	62.7
146.07295	4.6
147.08061	7.9
147.11702	31.2
149.09615	12.8
149.13240	8.9
155.08565	16.9
156.09389	9.1
156.33760	4.1
157.10153	58.9
158.10954	7.0
159.11703	39.1
161.09630	41.1
161.13292	11.9
163.11214	5.1
165.07028	6.5
166.07736	4.4
167.08675	7.4
168.09329	5.7
169.10159	10.7
170.11005	7.1
171.11702	28.5
173.09676	7.2
173.11986	4.9
173.13252	25.2
175.11200	5.6
175.14850	15.2
179.08629	8.7
181.10159	10.9
182.10922	5.5
183.11694	11.9
185.13280	18.3
187.14838	16.9
194.10922	9.0
195.11722	11.5
197.13283	18.2
199.14830	14.4
201.12807	5.1
201.16377	5.0
209.13284	18.5
211.14713	6.2
213.16391	4.9
215.14362	4.8
217.15968	4.4
223.14821	6.7
225.16405	6.1
227.14201	20.5
239.17979	10.2
255.17487	7.2
257.18954	4.5
265.19296	4.9
269.19189	5.2
270.57004	4.2
275.20074	23.1
288.62885	4.3
293.21140	6.1
315.93427	4.2
349.25128	5.6
367.25824	25.8
367.33685	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65957	2.4
53.03946	5.8
53.14783	2.2
55.05516	26.5
57.03424	7.6
57.07072	8.8
59.05003	3.3
64.27675	2.5
65.03944	5.4
67.05507	47.5
69.03428	6.0
69.07068	30.6
71.05000	3.8
71.51937	5.1
77.03976	3.3
79.05496	43.2
81.03381	3.6
81.07063	56.9
83.04962	5.6
83.08638	12.5
85.06541	4.0
91.05485	59.0
93.07047	74.1
95.04972	32.9
95.08611	60.1
95.09177	5.0
97.06546	14.5
103.05462	2.8
105.04517	2.9
105.07037	100.0
107.04986	3.5
107.08596	67.0
109.06520	16.5
109.10162	38.8
111.08076	6.5
115.05453	5.9
116.06252	3.7
117.07007	18.5
119.08592	88.6
120.55649	2.5
121.06530	14.1
121.10157	45.0
123.08096	6.8
123.11732	14.8
128.06224	12.5
129.07014	18.7
130.07845	6.7
131.08566	54.1
133.10132	56.7
135.08069	13.8
135.11720	23.0
137.09660	7.0
141.07036	6.3
142.07805	17.4
143.08568	32.6
144.09390	12.6
145.10129	63.7
146.07294	5.4
146.10869	3.0
147.08031	7.1
147.11697	21.2
149.09669	12.6
149.13295	4.0
151.11273	3.6
155.08537	14.7
156.09395	13.9
157.10144	49.7
158.10916	7.5
159.08060	7.1
159.11703	35.3
161.09613	42.9
161.13300	9.1
163.11172	6.9
165.06989	4.8
167.08595	7.8
168.09386	4.1
169.10146	22.0
170.10945	7.3
171.08052	2.9
171.11697	30.6
173.09639	6.4
173.13277	26.9
175.11230	8.2
175.14798	15.7
177.12784	3.1
179.08598	9.9
180.09361	3.0
181.10143	9.8
182.10925	4.7
183.11723	20.7
184.12534	5.3
185.13272	15.5
187.11246	3.1
187.14824	11.7
189.12794	3.9
193.10152	3.4
194.10956	8.6
195.11674	6.8
197.13252	11.3
199.11168	5.6
199.14851	10.6
201.12640	4.3
201.16412	6.2
207.11700	5.5
209.13318	21.2
211.14850	5.8
213.12750	7.2
213.16402	5.9
221.13306	3.6
223.14926	6.0
225.16389	7.1
227.14319	15.6
229.16075	3.0
235.14731	3.7
239.17981	8.1
244.15858	2.6
247.14825	3.7
249.16595	3.4
251.17993	3.2
255.17444	4.2
257.18945	5.9
265.19525	4.2
269.19171	4.8
275.20251	7.1
283.20377	2.9
293.19189	3.6
334.45325	2.8
349.25211	9.7
367.26489	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
54.03539	1.8
55.01875	19.0
55.05268	2.8
55.05512	35.1
56.14687	2.2
57.03444	20.4
57.07063	4.6
60.59504	1.9
61.02324	1.9
65.03934	4.2
67.05508	100.0
69.03423	4.1
69.07071	29.2
70.57232	5.8
71.04979	6.3
71.08625	8.6
79.05497	52.8
81.03442	13.0
81.07058	98.7
83.04989	15.2
83.08620	17.6
85.06527	8.8
91.04903	3.1
91.05486	61.4
93.06488	3.1
93.07049	53.9
95.04984	17.9
95.08613	43.5
97.06519	10.6
97.10156	8.0
99.08076	5.8
105.04479	2.7
105.07033	46.8
107.04957	11.9
107.08604	37.2
109.06537	13.4
109.10159	38.0
111.04400	2.3
111.08054	7.0
117.07027	10.4
119.08582	23.6
121.06491	5.2
121.10150	14.5
123.08047	5.6
123.11700	13.1
125.09633	11.4
127.07528	2.7
129.07011	5.2
131.08597	15.9
133.10139	53.3
135.08034	4.7
135.11668	9.3
137.09621	8.1
141.06941	2.8
143.08534	5.8
145.06471	2.5
145.10115	12.7
147.11688	14.7
149.09619	9.2
149.13251	5.9
151.11177	32.0
153.12717	2.2
155.08563	2.7
157.10071	3.3
159.11665	8.6
161.13213	2.6
163.11197	9.0
164.21161	2.0
164.79669	2.0
165.09088	3.8
165.12730	6.9
169.12180	3.2
171.11572	2.8
173.09552	1.9
173.13199	5.3
175.11154	3.5
177.12709	5.9
183.11674	2.3
191.10773	2.4
195.11699	1.9
195.13850	3.2
224.19572	2.0
229.19525	3.4
239.18004	4.0
247.20544	5.3
253.14366	2.9
257.19040	6.0
275.20081	36.9
293.21173	9.8
349.23947	2.6
367.18167	2.4
367.25165	31.8
368.25351	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.4
55.01867	11.9
55.05268	2.9
55.05512	32.9
57.03439	20.8
64.72238	2.7
65.03944	4.2
67.05508	61.2
69.03433	5.8
69.07072	41.9
71.04984	5.1
71.08639	23.7
79.05502	45.4
80.68021	1.9
81.03433	7.3
81.07061	70.7
83.04987	11.2
83.08634	16.1
85.06535	3.4
91.05488	37.0
93.07046	38.6
95.04971	17.0
95.08611	32.8
97.06529	17.5
97.10168	9.4
99.08103	19.1
103.05495	2.8
105.07040	39.6
107.04969	11.3
107.08608	30.2
109.06526	12.0
109.10146	26.7
111.04421	4.2
111.08093	6.7
117.07033	11.2
119.08572	23.6
121.06529	11.4
121.10163	16.4
123.08079	5.5
123.11724	9.1
125.09620	10.2
129.07039	4.0
131.08598	12.1
133.06480	2.3
133.10143	26.8
134.12817	2.1
135.08054	6.5
135.11710	8.4
137.09610	8.2
139.11194	4.0
141.07098	2.1
143.08606	3.4
145.10126	10.4
147.08066	3.2
147.11679	14.2
149.09622	11.5
149.13277	6.1
151.11211	8.9
155.08585	2.6
157.10204	3.5
159.11746	9.4
161.09691	2.9
161.13295	4.1
163.11275	9.5
165.09206	2.1
165.12729	2.9
167.10663	3.7
169.12202	2.2
171.10225	2.7
171.11670	3.3
173.13269	6.0
177.12830	4.3
183.11674	2.3
185.13339	2.6
187.14902	2.1
189.11194	4.0
195.13815	2.6
197.13290	3.4
206.08229	1.9
223.13361	3.3
229.19525	2.9
247.20593	8.8
257.19000	6.2
275.20081	51.4
293.21112	100.0
349.24060	11.4
367.12006	3.3
367.24985	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06645	1.1
53.03937	4.6
55.01873	6.7
55.05519	18.2
57.03197	1.4
57.03445	17.4
57.07082	2.6
59.04995	1.4
63.45078	1.2
65.03941	2.6
67.05512	47.8
69.03417	2.5
69.07077	35.1
69.66490	1.1
71.04988	4.6
71.51203	1.4
79.05076	2.2
79.05502	36.8
81.03423	4.1
81.07066	100.0
82.07369	1.8
83.04998	6.9
83.08634	13.4
85.06542	4.4
86.24019	1.2
87.12921	1.1
91.05490	29.9
93.07053	26.0
95.04987	8.6
95.08617	29.9
97.06558	12.0
97.10183	2.8
99.08124	3.1
101.70528	1.2
105.07040	25.1
107.04961	7.7
107.08603	20.4
109.06525	15.8
109.10170	12.7
111.08086	4.6
117.07001	7.2
119.08593	18.4
121.06516	3.0
121.10157	16.2
123.08070	5.9
123.11748	9.2
125.09634	3.4
127.39713	1.3
129.07010	3.6
130.35585	1.2
131.08568	10.3
133.10155	14.0
135.08081	3.6
135.11716	6.8
137.09613	5.0
137.13232	1.3
139.11182	2.6
143.08566	2.4
145.10124	10.5
147.11710	21.2
149.09616	8.7
149.13257	8.7
151.11201	3.4
155.08507	1.3
157.10146	3.7
159.11700	8.8
161.09697	1.6
161.13257	4.0
163.11168	6.1
164.79279	1.1
165.12747	7.5
169.10172	1.4
171.11662	2.1
173.13264	3.9
175.11195	3.4
177.12764	4.6
179.14319	1.3
183.11739	1.9
183.18576	4.1
187.11226	2.5
193.12199	2.1
195.13817	3.4
209.36057	1.3
219.13922	1.4
229.19569	2.0
239.17957	2.4
247.20512	2.8
257.19049	4.3
271.15567	1.2
275.20093	33.3
293.21234	7.2
349.23587	5.3
349.32114	1.9
358.05640	1.1
367.11649	3.9
367.24915	25.3
367.33179	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33466	1.2
53.03956	3.0
54.94949	1.5
55.01872	7.4
55.05521	24.3
57.03439	10.7
57.07069	1.3
58.20275	1.6
59.04998	2.4
67.05176	2.3
67.05511	28.5
69.03438	3.7
69.06728	2.0
69.07076	26.5
69.52180	3.0
69.52589	6.1
70.67601	1.2
71.05001	1.5
71.08640	27.9
72.08983	1.4
79.05504	21.3
81.03435	5.0
81.07066	25.4
83.04993	5.2
83.08624	7.9
85.06547	1.7
91.05485	12.4
93.07043	17.0
95.04968	6.3
95.08633	12.8
97.06540	4.0
97.10175	8.6
99.08102	23.3
105.07050	11.1
107.04971	4.8
107.08581	12.5
109.02868	1.5
109.06527	2.8
109.10152	8.7
111.08127	2.7
117.07021	3.3
119.08598	7.1
121.06532	4.1
121.10136	6.3
123.08068	2.5
123.11706	2.6
125.09615	7.7
130.82121	1.2
131.08588	4.7
133.06564	1.5
133.10135	6.5
135.08086	3.6
135.11699	3.1
137.09657	2.3
139.11252	2.1
145.10135	5.1
147.11679	4.2
149.09669	2.2
149.13319	2.2
151.11182	2.2
159.11716	3.9
163.11273	2.4
165.12727	1.5
165.94189	1.2
167.10693	4.6
177.12767	1.9
189.11259	3.8
241.60304	1.4
275.20059	12.8
293.21136	100.0
294.21347	2.5
367.25000	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01870	4.7
55.05515	28.2
56.73390	1.5
57.03441	13.9
57.07070	1.8
59.04992	2.1
62.69968	1.2
65.03928	5.0
67.05505	100.0
69.03431	4.7
69.06725	2.5
69.07069	30.2
69.37475	11.3
71.04977	3.7
73.06537	1.8
73.46380	1.4
74.98256	1.3
79.05494	37.5
81.03419	3.6
81.07055	80.9
83.04987	7.0
83.08629	13.7
85.06535	3.7
91.05482	31.0
93.07043	33.1
95.04976	10.2
95.08604	46.7
97.06544	5.1
97.10172	13.9
98.20797	3.1
99.08101	3.2
105.07046	28.2
107.04959	4.4
107.08592	21.5
109.06521	7.7
109.10151	29.1
111.08085	4.9
115.05456	1.5
117.07053	7.3
119.08589	19.1
121.06507	2.2
121.10139	15.3
123.08060	7.2
123.11696	5.2
125.09627	12.1
129.07016	4.7
131.08585	12.6
133.10135	16.3
135.08052	2.8
135.11705	7.8
137.01083	1.5
137.09628	6.0
137.13231	1.5
139.11174	3.5
143.08525	4.0
145.10132	12.8
147.08055	2.5
147.11700	15.8
149.09615	6.4
149.13280	6.0
151.11162	2.0
155.10678	2.9
157.10150	3.4
159.11694	7.9
161.13281	2.9
163.11174	4.6
165.09189	1.3
165.12740	5.0
169.10060	1.9
171.11671	3.0
173.11771	6.6
173.13295	4.7
175.11188	2.2
177.12810	3.2
183.11813	2.4
189.11234	4.9
197.13254	3.3
207.13885	2.4
215.14449	2.2
223.13693	1.4
229.19531	3.3
239.17926	3.1
247.20502	1.9
257.19019	6.3
257.21597	1.4
275.20047	27.1
279.62833	1.4
293.21127	7.3
332.43185	1.3
349.23749	3.0
367.24811	34.9
381.49939	1.4
385.86884	1.4
388.33292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01877	14.9
55.05269	2.0
55.05517	27.2
57.03445	14.7
57.07082	2.4
65.03938	4.5
66.27740	1.3
66.60099	1.3
67.05509	64.4
69.03431	9.1
69.06722	2.6
69.07073	27.3
69.38222	11.6
71.05000	5.7
71.08639	1.8
79.05498	54.9
81.03416	5.5
81.07062	100.0
83.04990	11.6
83.08639	12.5
85.06544	4.5
91.05487	45.9
93.07052	42.1
93.07638	2.7
95.04976	12.1
95.08614	39.8
97.06539	18.6
97.10184	6.2
99.08079	3.3
105.07040	45.1
106.18217	1.7
107.04977	10.7
107.05593	1.8
107.08604	36.2
109.06524	11.0
109.10163	17.6
111.08073	3.8
117.07040	13.6
119.08587	34.6
121.06522	4.7
121.10163	16.2
123.08073	7.9
123.11727	9.2
125.09611	8.0
129.07010	5.2
131.08569	17.7
133.10143	27.9
135.08069	5.9
135.11713	13.7
137.09595	5.7
140.20699	1.6
141.07013	2.1
143.08566	2.9
145.10130	19.2
147.11710	19.1
149.09622	18.1
149.13283	6.8
151.11194	6.4
151.40581	1.4
155.08578	3.6
157.10159	4.4
159.08105	1.4
159.11707	9.9
161.09644	3.2
161.13261	4.6
163.11174	10.0
165.09187	2.1
165.12715	4.0
169.10243	2.1
171.10284	1.7
171.11720	4.7
173.09595	1.4
173.11919	1.6
173.13248	6.6
175.11188	2.6
175.14755	2.4
177.12805	4.2
179.10704	1.9
181.12160	1.3
182.88533	1.4
183.11771	2.7
187.11197	2.0
187.14786	1.9
189.11243	4.6
189.12724	2.1
189.16507	1.4
193.12187	1.9
197.13351	2.1
219.13811	1.7
227.12849	2.1
229.19499	4.8
233.18936	1.6
235.07405	1.6
239.17969	5.0
245.14006	2.4
247.20558	5.8
257.18979	9.6
265.21591	1.9
267.15729	1.7
269.17542	5.3
275.20081	70.1
293.21152	5.8
349.23694	18.1
367.11795	3.4
367.24838	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
53.55201	3.0
55.01875	16.7
55.05514	36.8
57.03429	17.1
57.07051	3.8
58.36434	3.1
58.40983	2.6
59.05010	2.7
63.62400	2.6
65.03934	3.0
67.05510	75.6
69.07072	40.8
71.04991	4.9
72.51984	2.8
77.03939	4.1
79.05054	5.4
79.05493	49.3
81.03423	6.8
81.07062	100.0
83.04987	10.0
83.08635	16.2
85.06535	5.6
91.05484	51.3
93.07047	45.9
95.04964	15.9
95.08611	47.9
97.06537	20.0
97.10177	13.5
105.07043	40.4
107.04967	14.6
107.08608	36.0
109.06512	13.4
109.10162	24.0
111.08108	6.8
117.06999	13.6
119.08585	34.2
121.06498	5.4
121.10148	22.6
123.08105	7.9
123.11723	8.6
125.09629	9.5
129.06941	3.8
131.08609	19.3
133.10139	25.3
135.08081	7.0
135.11725	14.5
137.09612	9.4
141.07014	3.5
143.08592	3.7
145.10136	16.6
147.11684	19.8
149.09624	18.0
149.13312	6.4
151.11224	4.2
157.10133	5.2
159.11731	12.1
161.13301	4.5
163.11215	12.1
165.12770	6.2
171.10226	5.8
171.11639	4.8
173.13254	5.0
175.11111	2.7
177.12773	9.8
182.18700	2.6
185.13237	2.7
189.11237	5.2
201.16412	2.8
218.07320	3.6
227.12749	4.4
229.19501	7.1
239.58835	3.0
247.20627	5.7
251.20004	3.6
255.64821	3.2
257.19016	8.9
265.21664	4.4
275.20078	57.5
290.19135	3.4
293.21161	5.6
335.09122	14.5
349.23767	15.5
367.11801	5.3
367.25085	27.8
381.01758	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.2
53.03942	5.0
55.01883	21.4
55.05518	33.3
57.03451	18.6
57.07069	3.7
65.03941	4.1
67.05514	76.2
69.03439	6.1
69.07076	35.5
69.85288	5.1
69.85702	7.6
71.04992	6.6
71.08628	2.7
71.23293	2.4
77.79458	2.0
79.05499	62.2
81.03413	7.8
81.07071	100.0
83.04972	13.2
83.08628	18.5
83.89368	2.1
85.02904	3.4
85.06546	5.6
89.17446	1.9
91.05493	51.4
93.06481	4.6
93.07057	54.4
95.04984	17.4
95.08627	50.4
95.09202	1.4
96.03535	2.0
97.06541	30.2
97.10175	11.2
97.51672	2.1
98.21281	4.5
99.08142	3.6
99.76782	2.3
103.05486	3.4
105.07047	47.2
106.06541	3.3
107.04971	18.9
107.08607	51.4
109.06516	11.5
109.10171	28.2
111.04448	4.3
111.08061	5.5
114.10320	2.5
117.07061	15.5
119.08596	36.7
121.06506	9.1
121.10152	24.6
123.04433	2.7
123.08081	7.2
123.11697	9.5
125.09668	14.4
127.07588	2.0
129.07039	6.3
131.08591	23.3
133.10149	30.5
135.08040	8.5
135.11719	17.4
137.09624	5.2
143.08632	3.7
145.06496	2.6
145.10127	26.6
147.11693	26.4
149.09648	28.1
149.13304	7.8
151.11130	4.8
157.10139	7.3
159.11696	18.2
161.09683	3.8
161.13277	8.4
163.11215	15.8
165.12750	6.4
169.10147	4.0
171.10219	4.3
171.11737	5.9
173.09718	2.3
173.13353	7.8
175.11243	4.0
177.12758	6.9
187.11221	2.6
189.11244	9.8
191.14319	2.6
193.12375	2.4
197.13326	6.4
207.13858	4.2
223.13203	5.2
227.12787	2.6
229.19539	4.9
233.51714	2.2
239.17976	8.8
245.13873	3.5
247.20535	7.3
251.20139	3.0
257.19046	13.7
269.17679	4.3
275.20105	97.2
276.20154	3.6
292.07635	2.6
293.21100	13.7
337.07257	2.9
349.23920	26.9
367.11856	22.5
367.25223	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18943	2.3
53.03937	6.8
55.01665	2.2
55.01873	22.5
55.05513	33.7
56.80711	2.2
57.03441	17.9
57.07069	4.4
65.03941	3.6
67.05510	68.8
69.03426	4.5
69.07067	37.2
70.06590	4.4
70.75816	5.7
71.04987	5.3
73.02974	2.2
74.11771	2.5
79.05494	64.2
81.03413	6.0
81.06593	4.6
81.07058	82.4
81.73168	2.3
83.04956	8.0
83.08621	20.3
84.82697	2.2
85.02901	3.7
85.06541	4.4
86.03545	2.5
91.05486	45.4
92.63689	2.3
93.07050	54.6
95.04949	16.3
95.08607	42.7
97.06522	28.9
97.10160	10.8
99.08065	3.2
105.07036	48.0
107.04957	13.9
107.08607	42.1
109.06528	13.8
109.10177	22.1
111.08076	8.5
115.05424	3.2
116.06262	2.8
117.07034	20.8
119.08585	32.2
121.06496	9.9
121.10156	18.8
123.04398	3.6
123.08063	7.7
123.11675	7.8
125.09608	10.2
129.06992	8.6
131.04880	2.5
131.08580	29.0
133.06433	6.8
133.10132	30.3
135.08006	7.4
135.11670	12.0
137.09596	5.0
141.07010	4.1
143.08542	9.0
145.06493	5.0
145.10155	19.6
147.08072	4.7
147.11674	18.4
149.09625	24.8
149.13205	7.7
151.11201	5.7
155.08603	5.9
157.06511	3.0
157.10123	6.4
159.08127	2.6
159.11711	19.4
161.09593	5.5
161.13258	5.4
163.11197	11.8
165.07018	3.0
165.12740	3.1
169.06436	2.5
169.10091	4.4
171.10178	4.0
171.11652	5.2
173.09616	4.3
173.13248	8.6
175.11215	4.6
177.12756	3.3
183.11613	3.8
185.13278	6.0
187.14798	3.1
189.11180	6.2
189.16490	2.8
191.14284	5.1
193.12276	4.6
195.11519	2.5
195.13762	4.2
197.13237	4.2
201.12653	2.6
203.14297	3.0
219.17409	6.7
227.12627	3.3
229.19530	4.0
231.08220	2.7
234.06979	3.5
237.12720	3.6
239.01263	2.4
239.17931	7.5
247.20581	3.8
253.18187	2.8
257.18927	17.6
261.09415	2.5
275.20071	100.0
293.21121	10.0
335.09122	18.1
339.12482	3.8
347.49274	2.8
349.23892	43.0
367.11642	18.6
367.24734	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03951	4.9
55.01878	17.7
55.05515	26.8
57.03442	14.4
57.07072	3.1
59.04997	1.8
64.78960	1.2
65.03932	4.6
66.25914	1.1
67.05508	57.6
69.03432	3.4
69.07073	37.9
70.06596	2.3
70.18336	1.2
70.62178	1.9
70.62486	1.6
71.04999	4.7
71.08635	1.5
79.05499	53.5
81.03418	4.8
81.07063	100.0
83.04992	9.1
83.08627	14.1
85.02905	1.5
85.06556	4.5
89.79800	1.2
91.05486	38.1
93.07050	37.1
95.04974	12.4
95.08613	35.9
97.06546	24.0
97.10176	8.5
99.08118	2.9
103.03975	1.2
105.04530	1.6
105.07038	38.2
107.04257	1.5
107.04964	12.5
107.08600	30.3
109.06531	11.9
109.10152	13.4
111.08111	4.1
112.91524	1.3
117.07014	9.7
119.08583	27.3
121.06495	6.4
121.10155	16.7
123.04455	2.0
123.08104	8.5
123.11730	7.9
125.09646	9.2
129.07004	5.0
130.09908	1.5
131.08586	17.3
133.10147	19.5
135.08040	6.7
135.11691	8.5
137.09665	4.1
139.11188	2.0
141.06992	1.5
143.08499	1.9
145.06584	1.9
145.10127	16.5
147.11699	23.4
149.09631	23.0
149.13274	8.4
151.11209	4.9
155.08585	2.7
157.10161	5.7
159.07986	1.4
159.11691	11.8
161.09662	3.1
161.13278	5.0
163.11165	9.7
163.14804	1.4
165.09024	1.7
165.12773	5.4
169.10159	1.9
171.10274	2.1
171.11697	3.4
173.11803	1.7
173.13272	4.7
175.11200	1.6
175.14815	1.3
177.12830	3.6
179.14351	1.8
181.06487	1.7
183.11731	3.8
185.13284	1.5
187.11217	1.4
189.11273	5.3
197.13330	2.6
201.12805	1.8
205.12112	1.4
205.15907	1.9
217.08583	1.6
227.12784	2.3
229.19606	4.0
239.18027	4.5
245.13857	2.5
247.07622	1.7
247.20650	4.4
257.19009	10.6
258.90839	1.4
275.20093	60.4
279.10468	1.5
289.08514	1.3
293.08160	1.8
293.21146	3.8
307.09750	1.8
335.09186	3.0
349.23880	14.1
351.97443	1.3
367.11768	16.6
367.15714	1.2
367.25070	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
53.12389	1.1
55.01862	5.5
55.05512	26.4
57.03439	10.3
57.07079	2.2
67.05191	1.6
67.05511	28.3
69.03416	4.2
69.06734	1.7
69.07073	26.5
71.04977	2.4
71.08241	1.9
71.08635	39.0
71.51297	2.1
79.05495	27.8
81.03429	8.6
81.07060	32.5
83.05005	7.3
83.08628	12.4
85.02959	1.4
85.06495	1.4
91.05482	13.6
93.07043	18.9
95.04981	10.1
95.08608	14.1
97.06531	3.6
97.10178	14.1
99.08101	26.5
105.07014	10.8
107.04922	4.0
107.08604	13.6
109.06514	3.7
109.10175	9.0
111.04411	4.0
111.08099	3.0
117.07007	5.3
119.05936	1.3
119.08571	8.3
121.06482	3.8
121.10165	8.0
123.08068	2.4
123.11668	1.6
125.09641	10.1
129.06979	2.3
131.08572	5.3
133.06485	1.2
133.10127	4.8
135.08052	3.9
135.11696	4.6
137.13271	1.5
139.11198	1.4
144.85701	1.2
145.10158	3.5
147.11673	3.6
149.02232	1.5
149.09628	3.2
149.13228	3.1
151.11157	1.9
159.11682	3.6
163.11176	2.2
165.12759	3.0
167.10692	3.1
175.11107	2.0
177.12766	4.7
189.11238	6.0
193.12332	2.1
223.13173	1.8
224.93265	1.2
247.20630	1.7
257.19037	2.2
275.20047	15.9
293.21130	100.0
294.21417	3.9
322.27417	1.5
349.23843	1.7
367.11877	2.2
367.24957	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	367.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04257	8.9
55.05505	11.8
56.59903	8.0
57.03441	15.3
61.25586	8.2
67.05498	9.1
67.14960	8.0
69.03424	29.4
70.06599	58.7
71.51157	16.7
72.08144	18.6
77.02353	9.7
79.05495	24.6
80.04977	8.6
81.07074	44.5
83.04964	19.2
84.04541	9.5
84.57583	10.6
85.02905	13.4
86.09695	11.2
86.99677	9.9
91.05479	25.8
93.07056	10.7
94.06621	9.7
97.07644	12.2
109.06554	12.2
109.10168	15.5
111.04430	11.6
112.08679	12.5
114.10291	32.4
117.07028	11.0
122.06038	13.1
123.04431	16.3
123.11729	14.7
134.07971	14.8
139.03885	40.3
139.30310	9.0
147.04373	11.3
147.09186	19.8
151.11183	26.7
157.12294	11.5
164.08986	12.3
169.12247	25.6
182.08200	14.6
187.13353	57.9
207.07724	65.0
208.07985	100.0
215.11803	17.5
226.08565	12.8
243.00880	10.2
271.10654	24.7
281.14960	19.9
299.10239	15.1
324.12784	87.6
335.12183	20.4
349.10336	12.3
367.13065	71.0
367.18777	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01867	3.5
57.03446	6.4
61.02918	1.2
62.02443	3.1
65.98280	0.8
67.05512	1.6
69.03090	1.0
69.03440	16.1
70.76767	1.9
70.77112	0.9
71.01347	3.2
71.04991	6.0
72.00723	0.8
73.02904	1.5
79.05489	1.3
81.03436	5.1
81.07049	1.3
82.74477	0.8
91.05500	1.7
93.07047	1.2
95.04952	0.9
95.08607	1.2
97.02894	1.9
97.06522	1.3
99.04469	6.7
105.07024	1.3
107.08632	1.1
117.05578	4.1
118.06515	2.2
123.03576	1.6
123.04445	25.6
123.08054	0.9
128.06204	0.7
132.08101	1.0
135.06583	5.3
135.11726	0.8
137.02429	0.8
137.05867	0.9
139.03905	3.6
141.07047	0.8
145.07631	11.8
147.04405	1.3
147.08096	1.5
147.09177	10.2
153.06973	0.9
157.07550	1.6
158.09697	1.2
159.09175	11.7
160.09996	1.6
161.05997	1.0
163.03928	2.8
169.30450	1.0
173.07130	4.0
173.10770	1.1
175.08748	4.1
178.07129	2.4
183.09250	1.2
184.09959	1.9
185.10820	7.2
187.03899	1.4
187.08679	2.8
190.09770	58.9
191.08174	100.0
192.08440	0.9
197.10783	2.9
199.08716	1.7
199.12335	3.9
200.04698	3.4
200.09401	2.3
201.10342	2.1
203.07028	1.0
211.08780	1.6
213.10248	3.7
215.07156	1.2
215.11879	2.6
217.08589	1.6
225.10284	4.2
227.11835	1.7
228.04132	1.1
229.08656	2.5
243.11285	3.2
245.08224	1.1
245.12939	2.0
253.09807	1.5
257.08032	4.1
258.12579	1.1
263.13950	1.9
271.10718	7.0
288.13406	1.3
289.11850	13.1
295.06027	3.0
306.14499	40.1
307.12698	4.9
309.07434	1.7
310.08359	1.9
321.11270	1.0
323.09192	1.4
324.15570	19.2
325.10803	1.1
339.12424	1.1
349.10721	1.6
367.11737	15.4
367.16125	47.5
368.16809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1178
Annotation	3'-Hydroxyalpinumisoflavone 4'-methyl ether
Peak:m/z	Relative Intensity
51.02378	1.2
53.03933	1.2
55.01859	1.5
55.05501	1.8
57.03426	1.7
59.04993	1.7
65.03944	0.7
66.77361	0.4
67.05502	5.3
68.99770	0.5
69.03436	0.6
69.07053	1.6
70.04091	0.5
70.06606	1.8
71.04994	0.8
71.24754	0.8
72.08134	0.9
77.03935	1.6
79.05505	2.7
81.03421	0.6
81.07052	4.6
83.04990	0.9
83.08601	0.8
84.04556	0.4
84.08157	0.7
85.06496	0.4
91.05485	2.9
93.07030	2.0
95.04958	1.6
95.08618	2.3
97.06532	1.9
97.07678	0.5
97.10175	0.5
100.11217	0.5
105.03394	2.0
105.07018	2.4
107.04933	1.4
107.08594	1.4
109.06512	0.5
109.10155	0.9
111.04416	1.1
114.10278	1.2
115.05405	0.4
116.20000	0.4
117.07003	0.6
119.04919	1.0
119.08647	1.9
121.06497	1.3
121.10157	1.1
123.04430	100.0
124.04786	1.2
129.07010	0.9
131.04922	1.0
131.08557	1.2
133.06499	0.5
133.10150	1.1
135.04425	5.0
137.05981	0.9
137.09612	0.5
139.03914	2.0
141.06944	0.6
143.08583	0.5
145.06464	0.6
145.10085	0.6
147.04413	4.6
147.11658	0.5
149.09619	0.6
154.12299	0.5
155.08582	0.6
157.06380	0.5
159.08055	1.1
161.06020	1.4
163.03925	6.4
163.07608	0.8
171.04402	0.9
171.08122	0.4
172.05226	0.5
173.06044	0.6
175.03885	1.9
175.07570	1.5
176.14453	0.6
177.05505	0.9
185.06044	0.5
187.03947	1.2
187.07558	1.4
189.05461	1.0
189.09155	0.8
191.06995	0.6
195.08217	0.5
197.05988	1.1
199.03804	0.4
199.07643	0.5
200.04721	3.1
201.05466	1.6
201.09264	0.6
201.53526	0.4
203.06993	1.1
211.07576	0.9
213.05486	1.1
214.06235	1.6
215.07018	5.6
217.08493	2.4
225.05414	0.4
228.07831	0.8
229.08614	7.3
239.07016	0.5
241.08734	0.5
243.06613	0.6
245.08150	2.7
257.08090	13.7
265.08414	0.5
267.06818	0.4
269.08173	1.3
271.05981	0.4
275.07080	0.4
275.20163	1.4
292.07327	0.6
293.08191	0.5
295.05975	1.7
295.09317	0.9
297.11389	1.2
306.08798	0.7
309.07648	0.7
311.09116	0.5
321.11230	1.4
323.09183	5.9
323.24347	0.7
324.09814	0.6
325.10727	3.4
339.08636	1.3
339.12390	1.5
349.10614	2.1
367.11780	21.5
367.23593	2.9
368.12112	0.7
368.18591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.118
Annotation	Piscisoflavone B
Peak:m/z	Relative Intensity
51.02778	1.2
53.03934	2.7
55.01877	4.7
55.05516	19.2
57.03445	3.6
65.03937	3.5
67.05511	5.2
68.99789	5.9
69.03429	2.6
69.07067	1.4
70.06596	2.6
71.50977	2.7
79.05489	4.1
79.29783	1.4
81.07065	1.8
81.30148	1.3
83.04990	100.0
84.08135	1.5
85.06575	1.9
86.09711	1.4
91.05490	2.5
93.03383	2.0
93.07040	2.5
94.06528	1.5
95.04974	3.2
95.08602	1.3
97.06548	1.8
98.20924	1.4
105.07055	1.6
107.04995	1.6
107.08603	1.3
110.09628	2.1
111.04453	5.3
114.10269	1.3
121.02906	1.7
123.04425	6.3
124.07617	2.4
128.06229	2.7
129.07024	3.1
130.04948	2.0
138.09143	1.5
139.03911	96.0
140.04242	1.5
140.07019	2.0
143.08594	3.1
147.04411	3.2
147.09172	2.1
152.06123	2.2
153.05487	1.4
153.06970	2.0
154.04994	2.1
155.08586	3.9
157.06479	1.7
159.07976	1.4
160.03914	1.3
160.05199	5.4
161.06012	7.3
163.03920	47.8
165.05630	1.7
165.07011	2.5
167.03355	1.7
167.07204	2.3
167.08607	5.1
168.05756	1.4
171.08080	2.1
173.05984	10.0
175.03888	1.9
175.07570	2.9
177.05516	3.1
178.05017	1.8
181.06500	3.5
183.08081	6.6
185.05939	2.1
187.07555	2.1
189.05478	2.4
189.09048	7.7
191.07080	3.4
195.08109	7.4
197.06085	1.9
199.07590	4.0
201.09227	6.6
208.09818	1.7
209.06029	1.4
211.07570	7.3
213.05560	3.0
213.09119	8.6
217.08646	9.5
219.08156	1.8
223.07614	2.4
224.08321	1.9
227.07039	2.6
229.08636	23.7
237.05576	4.4
241.08575	10.1
251.06903	2.4
255.10234	2.3
265.04990	1.8
266.05838	1.6
279.06604	2.9
281.15073	1.8
282.05380	2.9
283.06024	15.5
283.09305	2.4
285.07516	3.0
293.11612	1.9
295.06052	15.1
296.06979	2.2
303.09958	1.6
309.07629	2.1
311.05521	10.2
319.06271	2.1
320.06897	3.1
321.11234	1.7
323.09137	2.6
331.09622	2.7
333.07431	1.7
335.12454	2.0
339.12219	10.5
349.10809	13.0
367.11755	34.8
367.28619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91114	0.3
66.78182	0.2
70.10191	0.8
82.99858	0.4
101.00888	3.7
102.87962	0.2
113.08655	0.2
116.98904	0.3
119.01926	5.9
134.99905	0.5
137.02959	0.8
140.98840	1.0
158.99896	3.4
175.03055	0.3
177.00974	16.1
178.01093	0.5
180.96638	0.2
182.99901	0.8
183.04385	0.2
199.03006	0.4
201.00952	3.2
202.00829	0.2
216.98885	0.4
217.04126	2.9
219.02025	21.7
220.02148	0.7
225.00842	2.8
234.00653	0.3
235.00000	0.5
236.00172	0.5
236.99538	0.3
240.98961	0.3
241.99078	0.6
243.02013	10.2
244.02249	0.3
258.99982	1.2
260.00171	1.1
261.03082	100.0
262.03204	3.5
263.03268	0.7
277.01086	0.8
278.01132	0.6
279.00708	0.3
283.00070	2.4
284.00146	2.9
284.04584	1.4
284.99847	1.2
301.01047	2.7
302.01215	3.6
303.00763	1.0
325.01111	0.3
326.01160	0.4
344.02325	2.3
363.51276	0.4
364.00964	0.5
367.02066	0.5
372.58429	0.2
385.03271	5.8
386.03326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11777	0.3
53.03944	1.3
54.13683	0.4
55.01862	1.2
57.03442	3.9
59.04987	0.5
60.04263	0.5
60.04528	6.6
61.02933	2.5
67.05489	1.2
69.03086	0.6
69.03434	9.3
69.07059	0.5
69.63737	0.8
69.64151	1.9
70.06582	1.0
71.01341	1.4
71.04996	2.7
73.02911	1.4
75.04487	0.4
76.12067	0.4
79.05482	1.5
81.03418	1.2
81.07056	1.3
86.09686	0.5
87.04437	0.5
91.05473	0.7
93.07043	0.9
95.08625	0.9
97.02895	0.4
98.21516	0.5
99.04469	2.2
104.04974	0.4
106.06548	3.0
107.08578	0.4
116.04974	4.1
117.05504	0.9
118.05296	3.0
118.06530	0.5
119.04977	0.4
119.06038	0.4
121.10194	0.4
124.07626	0.7
131.06050	1.8
132.06879	0.4
133.07619	10.9
134.05972	0.4
143.06082	2.3
144.06775	0.9
145.07610	15.0
146.08398	1.1
147.09186	1.4
148.06332	0.6
157.07622	1.5
158.04744	0.8
158.08464	0.5
159.09183	1.2
161.07103	3.1
163.08669	16.4
170.08369	0.5
171.05527	1.3
171.09163	1.3
173.07120	1.8
173.10779	0.8
175.08673	3.8
176.09425	0.7
177.06592	3.0
183.09267	0.7
185.10718	1.0
189.06590	8.6
189.10324	0.5
191.08206	1.1
200.09460	1.3
201.10251	3.1
202.11038	0.6
203.08252	0.4
203.11966	0.6
203.34167	0.4
205.09758	0.9
207.07658	100.0
208.08046	1.2
213.10265	1.0
214.06129	1.5
215.08122	0.9
215.11821	0.9
217.09676	0.9
229.09756	0.9
231.11253	1.3
232.07178	12.6
235.10799	0.5
241.09644	0.9
249.08572	0.4
249.12424	0.6
261.12415	1.2
279.13400	6.4
280.13785	0.4
286.60568	0.5
287.10281	1.3
305.11383	2.9
323.12384	46.3
324.12698	1.2
330.26382	1.4
348.11884	4.8
348.27490	1.9
366.12961	52.5
366.28275	3.6
367.13336	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.8
56.96562	1.7
57.03417	3.4
68.27621	2.0
69.03423	5.8
70.06591	3.2
70.72043	3.0
70.72361	2.2
81.03405	2.2
84.04489	2.4
85.02892	6.0
91.05493	3.8
97.02888	6.2
98.97591	3.4
101.00874	4.3
102.00962	1.8
109.02859	2.1
110.07147	3.5
119.01961	8.5
119.04953	3.7
120.02027	4.0
121.01620	1.7
121.06455	2.5
127.03941	2.4
131.01927	5.1
131.51924	1.9
132.01917	4.5
133.71323	1.8
134.99971	2.8
137.05933	2.1
138.05528	3.2
143.01880	3.9
143.51830	2.3
144.01857	2.3
145.03496	2.8
146.03615	2.0
147.04355	9.4
153.01852	3.1
155.01939	2.4
158.99875	6.6
162.03030	2.3
164.17227	1.7
167.04262	2.5
173.02979	4.2
173.53113	3.9
174.03026	3.6
175.04497	1.9
176.99399	3.0
177.00951	54.9
177.05449	2.6
178.01070	2.8
181.03542	2.4
182.99944	1.9
192.03658	5.7
193.01572	1.9
195.05006	2.0
201.00990	7.5
203.02473	6.7
204.02641	3.5
205.03999	1.9
210.04753	26.5
211.02946	7.2
219.02014	100.0
220.02145	2.8
227.02390	2.5
228.05791	3.4
229.04100	11.0
234.04715	30.2
242.06206	2.1
245.03499	20.5
246.05284	7.8
247.05185	26.2
252.05803	37.5
253.04115	5.2
255.01999	2.9
257.03357	3.0
269.03568	6.7
270.06854	2.8
271.05084	21.4
273.03036	11.7
275.04654	5.3
287.04596	5.8
291.04120	3.9
296.08398	1.8
297.02948	8.7
299.04510	9.6
301.02640	18.9
306.07471	1.9
306.10974	4.4
315.04123	19.7
316.04398	2.1
317.05750	6.3
319.03540	5.6
325.02597	17.0
343.03635	95.8
344.03778	5.1
361.04813	4.1
366.05197	3.6
366.10126	6.3
384.02588	2.6
384.08865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09344	2.6
53.03936	7.5
55.01870	10.1
55.05515	23.2
57.03447	25.3
57.07071	6.7
59.04988	4.6
65.03941	4.7
65.82108	3.1
67.05186	4.0
67.05513	52.5
68.63370	3.0
69.03413	12.3
69.06782	2.7
69.07082	29.2
70.42348	5.7
70.42726	5.8
71.04995	6.4
78.95470	2.6
79.05502	41.0
81.03403	4.2
81.07062	38.6
83.04987	9.8
83.08620	11.3
85.06567	24.9
91.05484	56.4
93.07050	53.4
95.04975	58.5
95.08615	28.3
97.06528	12.5
97.10161	7.6
98.21535	3.5
99.04480	2.9
99.08042	3.9
105.04520	2.9
105.07036	62.4
107.04967	7.4
107.08601	36.9
109.06520	32.5
109.10162	28.4
111.04436	4.4
111.08080	6.1
113.06017	52.5
115.05512	4.6
116.06232	3.4
117.07029	19.3
119.04926	4.1
119.08595	65.0
121.06510	11.0
121.10174	35.3
123.08074	9.4
123.11712	5.0
125.09625	7.9
128.06238	12.5
129.07002	18.2
130.07794	5.7
131.08582	46.6
133.06497	3.2
133.10136	28.9
134.29050	3.1
135.08072	23.3
135.11674	10.7
137.09634	5.8
141.07018	7.8
141.44936	3.2
142.07819	16.9
143.08557	25.0
144.09311	5.7
145.10129	42.5
147.08043	16.0
147.11682	17.0
149.09627	12.3
153.07051	3.8
154.07761	3.4
155.08560	15.0
156.09335	11.9
157.10135	35.8
158.10905	6.0
159.08144	7.4
159.11745	24.2
161.09647	16.7
161.13246	3.8
163.11214	7.3
163.92303	2.8
165.07051	6.7
167.08513	9.6
168.09386	7.8
169.10120	18.9
170.10851	6.8
171.08083	3.1
171.11676	25.3
173.09644	7.5
173.13277	44.1
175.11211	9.2
177.12703	4.8
179.08586	8.5
180.09328	9.2
181.10147	12.2
182.10889	8.1
183.11726	22.8
185.13237	11.4
187.11237	5.5
189.12704	5.0
191.14337	23.6
192.09296	3.7
193.10147	15.6
194.10925	7.4
195.11736	19.7
196.12392	4.8
197.13278	18.3
198.14012	3.9
199.11145	3.6
199.14801	10.2
201.12727	9.0
203.14313	3.8
205.09926	3.7
206.10927	6.0
207.11674	22.1
208.12415	6.1
209.13353	16.5
211.11247	4.1
211.14816	11.5
213.12770	8.0
216.15125	5.1
217.15933	12.4
219.11763	7.6
220.12595	5.9
221.13284	14.9
222.14128	4.6
223.13095	7.0
223.14839	10.7
224.15485	4.1
225.12766	10.6
225.16365	4.0
227.14301	5.5
231.11580	3.4
232.12505	3.8
233.13205	9.5
234.14005	6.3
235.14883	6.3
237.16367	9.3
239.14331	7.2
239.18048	3.5
247.14793	6.3
248.15524	5.0
249.16379	12.0
251.18004	6.7
253.15875	6.5
255.17371	6.0
258.13876	3.9
259.14697	3.3
261.16467	3.1
263.17975	10.9
264.18744	3.8
265.16043	7.2
267.17505	5.9
269.19003	5.5
273.18542	13.7
274.17224	4.1
277.15842	3.3
281.18994	7.4
282.19678	5.4
291.19672	56.0
297.18536	4.8
319.24002	4.0
329.22571	3.8
347.23755	29.2
365.24786	100.0
375.04410	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	16.4
55.01881	16.8
55.05511	44.7
56.96553	25.9
57.03429	39.4
61.02927	15.0
66.29167	9.5
67.05514	95.7
69.03427	24.0
69.07078	30.7
71.04971	11.1
71.24712	18.0
79.05499	93.3
81.03415	20.8
81.07068	100.0
83.04982	27.2
83.08607	20.7
85.02917	20.8
91.05487	83.2
93.07051	81.1
95.04965	37.3
95.08606	48.8
97.02883	20.9
97.06562	11.2
97.10186	14.7
99.53926	8.4
105.07055	60.1
107.04968	15.0
107.08601	50.0
109.06550	21.3
109.10155	43.4
113.06049	13.7
114.27367	8.9
117.07015	18.7
117.45831	8.8
119.01534	9.5
119.08596	31.1
121.06509	12.8
121.10141	23.0
123.08089	18.7
125.09595	11.9
129.07022	20.7
131.08591	22.9
131.48180	10.9
133.06459	14.9
133.10143	48.4
134.58836	10.1
135.08063	33.9
135.11734	20.0
143.08553	19.6
145.10182	23.4
147.08032	11.2
147.11771	14.3
149.09607	27.0
151.11220	29.6
157.10089	19.1
161.09659	16.4
171.11780	14.2
181.07259	8.9
211.13356	9.1
253.14401	19.7
267.09076	34.6
269.10699	16.4
273.18466	45.2
285.10150	46.9
287.07739	9.7
291.19516	46.1
365.23203	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01880	5.8
55.05512	6.2
57.03440	43.3
57.07075	2.7
65.03943	3.6
67.05508	45.0
67.50803	1.0
69.03428	2.1
69.07064	4.9
69.85923	5.5
71.04993	6.6
72.93797	1.0
73.02913	1.1
79.05495	21.2
81.03438	5.8
81.06587	1.7
81.07057	23.6
83.04968	3.2
83.08620	4.0
85.02906	1.6
85.06549	36.4
85.61783	1.2
91.04920	1.2
91.05484	21.8
93.07054	21.6
95.04971	57.0
95.08609	12.5
97.02865	1.3
97.06544	6.6
97.10211	1.8
103.05441	1.1
105.07031	15.4
107.04967	9.1
107.08617	13.8
109.06525	50.2
109.10149	2.6
113.06010	100.0
115.05478	2.2
117.07029	9.7
119.04961	1.3
119.08568	10.9
121.06503	4.1
121.10139	6.5
123.08089	3.1
128.06255	2.1
129.07005	4.6
131.08566	13.7
133.06544	2.4
133.10130	9.6
135.08055	34.4
135.11694	5.8
137.05959	1.5
137.09601	2.0
141.07008	1.1
143.08569	8.4
145.06503	1.7
145.10124	9.7
147.08058	6.4
147.11702	3.0
149.09608	4.5
149.13295	2.1
155.08591	1.4
157.10159	5.4
159.08112	2.9
159.11714	6.3
161.09642	6.8
161.13301	1.2
163.11192	3.6
165.09210	1.7
171.11678	4.1
173.13235	2.5
175.11172	3.7
177.12758	3.6
183.11697	2.0
185.09561	1.5
185.13310	2.3
187.11124	1.9
187.14745	1.5
189.12743	1.7
199.11227	1.2
199.14815	3.7
201.12700	2.5
211.13261	1.1
217.15901	13.5
219.13799	2.2
227.17995	1.2
233.15218	1.5
245.18962	2.7
255.17421	2.3
267.09201	1.3
273.18494	23.0
283.06070	2.4
285.10168	2.3
291.19553	26.3
299.26941	1.2
347.22104	2.3
365.10425	1.3
365.23267	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01875	7.3
55.05516	14.0
57.03439	53.2
57.07076	2.9
60.35479	1.1
65.03921	3.7
67.05508	51.6
69.03419	5.3
69.06736	1.2
69.07076	19.0
69.68099	6.7
71.04976	3.8
79.05067	1.9
79.05499	28.8
79.63303	1.4
81.03414	3.8
81.07056	23.0
83.04971	2.6
83.08621	5.0
85.02882	1.5
85.06548	38.6
86.38301	1.2
91.05488	21.7
93.07049	24.6
95.04974	58.3
95.08603	16.3
97.02881	2.0
97.06526	5.2
97.10170	4.7
105.07038	17.1
107.04966	9.2
107.08606	13.2
109.06525	51.9
109.10149	6.7
111.04476	1.4
111.08076	3.2
113.06011	100.0
115.05456	1.4
117.07008	11.2
119.04923	1.8
119.08595	12.0
121.06503	3.9
121.10123	5.3
123.08049	4.8
125.09656	2.9
126.93206	1.1
128.06194	1.9
129.07036	5.6
131.08571	12.6
133.06511	1.6
133.10130	8.2
135.08060	33.5
135.11700	6.6
137.09589	2.3
140.40935	1.3
140.81390	1.2
143.08528	5.1
145.10135	9.9
147.08026	5.7
147.11681	3.6
149.09644	4.9
149.13257	3.0
157.10129	4.4
159.08067	2.8
159.11688	6.5
161.09680	7.4
163.11191	4.2
165.09103	2.4
171.11656	3.1
173.13274	3.3
175.11174	3.4
177.12776	2.4
183.10191	1.2
183.11800	1.5
185.13235	3.4
195.11800	1.7
195.13640	1.5
199.11121	1.4
199.14803	2.9
201.12740	2.8
217.15887	15.4
223.13235	3.7
227.18040	2.0
233.15370	3.1
237.16455	2.4
245.18970	1.7
255.17358	2.3
273.15842	2.1
273.18515	22.8
291.19556	48.8
347.22079	2.3
348.98264	1.4
365.23221	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	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01875	10.6
55.05515	35.8
56.13656	1.1
56.96559	2.6
57.03444	12.7
57.07077	2.1
59.04983	1.4
61.02905	2.3
62.33127	1.1
65.03954	2.2
67.05510	50.5
69.03432	16.6
69.07076	45.3
70.06576	1.7
70.07358	1.4
70.75931	3.3
71.04982	2.7
73.02897	2.1
79.05500	40.4
81.03427	8.1
81.06588	2.3
81.07059	40.4
83.05005	8.1
83.08624	12.8
85.02898	3.6
85.06537	2.6
86.03236	1.2
91.05484	31.2
93.07051	30.8
95.01318	1.5
95.04975	17.1
95.08617	21.4
97.02900	19.5
97.06536	7.4
97.10172	15.9
103.05466	1.9
105.04561	1.7
105.07043	24.6
107.04962	13.3
107.08604	22.1
109.06542	10.9
109.10159	14.8
111.04432	1.8
111.08078	4.8
115.05440	3.1
117.07040	12.8
118.59492	1.1
119.04964	2.6
119.08586	19.8
121.06538	7.4
121.10165	9.5
123.04417	2.0
123.08097	6.1
123.11655	2.3
125.09649	13.7
127.03878	1.2
128.06218	4.4
129.07019	8.1
130.07808	2.5
131.08572	19.2
133.06500	5.4
133.10146	10.3
135.08055	9.2
135.11690	6.2
137.05923	1.2
137.09621	6.5
141.07018	1.6
143.08554	14.2
145.06500	2.2
145.10147	16.7
147.08038	8.2
147.11699	5.6
149.09579	4.5
149.13237	3.4
151.11130	2.8
153.07001	1.2
155.08549	2.5
156.83597	1.2
157.10107	6.2
158.59746	1.4
159.07974	1.3
159.11722	7.7
161.09654	8.4
161.13318	2.6
163.07597	1.3
163.11203	3.0
165.09149	2.7
169.10144	3.2
171.11684	5.0
171.43365	1.2
173.13290	2.1
175.11208	4.3
177.12726	2.6
181.10167	1.8
185.09663	1.7
185.13310	2.2
189.11215	5.6
189.12735	2.3
193.12263	3.3
195.11694	2.9
205.12325	2.9
221.15419	1.3
223.13303	27.1
227.17976	1.7
237.16389	2.3
245.19055	2.9
255.17566	3.1
263.19873	1.4
267.08948	2.6
273.18558	21.1
283.06094	1.6
285.10068	4.3
291.19568	100.0
292.19989	2.6
347.22202	4.7
365.10333	3.4
365.23355	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.01858	8.3
55.05517	51.9
56.96566	4.5
57.03445	21.8
59.97158	2.7
61.02932	4.3
62.48315	3.3
67.05512	61.3
68.20910	3.5
69.03452	7.1
69.07066	24.2
69.75320	17.9
71.05002	6.8
79.05068	6.0
79.05501	81.5
81.03419	9.1
81.07064	77.6
83.04983	9.7
83.08637	18.9
85.02899	4.5
85.06533	4.1
91.05495	100.0
93.07050	68.9
95.04964	12.3
95.08619	45.0
97.02905	5.2
97.06532	18.6
97.07678	3.8
97.10156	19.3
98.20758	5.2
103.05452	5.5
104.36160	3.2
105.07037	87.5
107.04945	12.1
107.08602	36.5
109.06530	15.5
109.10162	9.4
111.08080	9.7
115.05466	13.0
117.07021	42.5
119.04873	5.1
119.08595	53.1
121.06513	11.5
121.10155	17.9
123.08069	13.4
125.09609	10.5
128.06218	17.3
129.07002	34.3
130.07785	12.1
131.08580	87.7
133.06512	4.4
133.10138	24.9
135.08078	7.6
135.11699	11.5
137.09660	4.9
139.11183	7.2
141.07002	10.8
141.08920	3.3
142.07787	10.6
143.08568	80.8
145.06445	5.1
145.10143	93.9
147.08087	17.3
147.11714	11.8
149.09618	10.5
155.08521	11.1
157.10149	34.9
159.08076	6.6
159.11679	20.5
161.09636	14.7
163.11195	7.8
165.06944	4.0
169.10207	21.7
171.11696	18.8
173.09554	4.7
173.13303	5.8
175.11226	6.7
177.12766	4.7
181.10110	10.0
183.11702	7.9
185.13289	7.6
187.11130	4.6
189.12808	5.0
193.12311	4.6
195.11729	21.9
199.14890	4.5
209.13376	4.8
237.16403	15.4
245.19025	7.7
255.17581	17.7
269.12415	6.5
273.18533	41.7
285.10095	5.9
285.17062	4.1
291.19550	10.4
340.07840	3.5
347.22314	20.6
365.23352	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58775	1.0
53.03940	1.5
55.01876	8.7
55.05517	29.2
57.03445	10.4
57.07063	1.7
59.04991	1.9
65.03961	1.5
67.05512	34.0
69.03437	15.0
69.07077	60.9
71.04993	1.4
75.77070	1.3
79.05066	2.0
79.05499	24.7
81.03416	5.2
81.07058	25.0
83.04969	4.5
83.08624	9.6
85.06561	2.5
91.05490	17.2
91.62840	1.1
93.07059	15.5
95.04967	8.5
95.08621	12.5
97.02899	15.1
97.06523	2.7
97.10181	16.3
105.07043	11.5
106.08132	1.1
107.04978	6.0
107.08617	12.2
109.06528	5.1
109.10158	10.3
111.04460	1.6
111.08091	3.5
114.33646	1.2
115.05479	1.7
117.07040	5.5
119.08604	9.7
121.06560	1.4
121.10160	4.5
123.04452	1.2
123.08054	2.8
125.09639	12.0
129.07030	2.3
131.08582	6.2
133.06493	1.9
133.10127	3.4
135.08038	4.8
135.11688	4.4
137.09616	2.3
143.08585	3.7
145.10117	4.3
147.08049	5.6
147.11719	2.7
149.13252	3.1
151.11084	1.5
157.10088	1.8
159.11711	2.6
161.09682	2.4
165.09140	2.3
171.10275	1.4
173.12007	1.4
175.11153	2.9
177.12814	1.8
179.10631	1.8
189.11292	5.9
195.13823	2.6
205.12215	1.9
223.13313	25.9
227.12823	2.0
249.14900	2.1
255.17415	1.3
263.10031	1.2
263.20142	1.7
265.57047	1.1
273.18481	14.4
273.74985	1.4
291.19565	100.0
365.23251	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
54.12048	1.2
55.01877	7.9
55.05515	11.2
56.96560	1.9
57.03445	42.0
57.07067	2.7
61.02930	1.9
65.03939	3.5
67.05511	46.4
69.03417	4.9
69.07080	9.4
69.89375	5.0
70.06602	2.2
71.04998	4.3
73.02907	1.3
79.05499	25.1
81.03439	7.3
81.07066	28.3
83.04974	4.2
83.08624	4.0
83.37529	1.4
85.02914	4.2
85.06551	37.0
88.78593	1.3
91.05483	21.9
93.07047	23.4
95.04980	61.0
95.08620	15.7
97.02880	2.6
97.06538	7.1
97.10182	1.5
99.04469	2.8
105.07041	19.6
107.04965	12.6
107.08611	17.0
109.02827	2.0
109.06529	45.7
109.10138	4.0
111.08102	2.5
113.06018	100.0
115.05489	2.0
116.06296	1.6
117.06992	9.4
119.08596	14.6
121.06531	6.4
121.10141	6.5
123.04362	1.8
123.08080	4.9
123.11680	1.8
125.09637	2.2
128.06265	2.2
129.07022	5.9
131.08572	13.2
133.06467	2.9
133.10141	12.0
135.08075	33.3
135.11696	5.9
136.06186	3.4
137.09669	2.8
143.08578	7.5
145.10115	10.8
146.08102	1.7
147.08057	5.5
147.11703	4.8
149.02361	7.0
149.09627	6.2
149.13260	2.0
151.11217	1.7
155.08604	2.1
157.10165	7.9
159.08098	2.1
159.11708	5.8
161.09648	8.0
161.13370	2.1
163.11156	4.9
171.11722	5.8
173.09705	2.0
173.13283	3.1
175.11211	3.2
175.14839	2.1
177.12794	3.2
181.10080	1.8
183.11742	3.0
185.13312	2.5
189.16447	1.5
193.04987	7.2
194.08260	1.5
197.23734	1.4
199.14847	3.5
200.20091	2.9
203.14360	1.4
217.15881	14.4
219.13901	2.5
220.17743	2.8
233.15367	1.9
245.19025	4.7
250.42075	1.7
255.17528	3.1
265.07883	1.3
267.09048	2.7
273.18515	28.8
285.10028	4.9
291.19562	34.6
291.22849	1.9
345.22885	1.4
347.22110	3.2
365.10352	4.5
365.23355	9.3
366.22852	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56296	3.0
52.98727	2.4
53.03947	11.4
53.56982	3.5
54.19080	2.7
55.01876	17.3
55.05514	30.0
56.56866	2.5
57.03440	22.0
57.07085	3.0
59.04986	6.4
61.40666	2.9
65.03961	4.9
66.11757	2.7
67.05509	89.0
69.03423	12.4
69.07070	30.6
71.04984	8.2
79.05067	5.2
79.05499	68.4
81.03419	16.6
81.07064	100.0
83.04973	21.2
83.08622	11.6
85.06546	3.9
91.05486	94.8
92.66608	2.6
93.07051	60.8
95.04978	21.2
95.08611	35.6
97.02905	3.6
97.06519	9.8
97.10181	8.9
105.07038	69.5
107.04967	18.9
107.08599	51.6
109.06512	11.8
109.09444	5.7
109.10152	40.3
109.10845	4.0
111.04446	3.9
111.08060	7.7
113.05994	3.7
117.06982	14.6
119.08601	22.6
121.06517	11.5
121.10155	19.0
123.04419	2.8
123.08091	10.2
123.11727	10.5
125.06037	3.7
125.09631	5.4
129.07024	9.3
131.08580	26.9
133.06493	15.0
133.10133	72.8
133.11101	5.1
135.08075	19.0
135.11699	9.3
137.09578	4.1
139.07504	5.6
143.08545	7.4
145.10118	15.0
147.08011	8.2
147.11688	12.4
149.09599	21.9
151.11176	44.2
157.10165	3.5
159.08067	10.0
159.11687	9.0
161.09612	14.7
163.11183	4.7
169.12224	3.5
171.11708	7.9
175.11209	8.1
177.09161	13.6
189.12770	4.0
195.10063	3.9
197.13177	2.8
215.12863	3.3
217.12247	2.9
223.13382	3.2
224.41144	2.8
229.51544	3.4
237.16519	3.4
245.18961	11.5
251.12892	3.4
253.14365	29.5
255.17532	3.1
263.20084	11.3
269.13742	4.0
273.18512	43.2
291.19550	38.8
315.77692	3.1
347.22321	5.2
365.23334	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29660	1.0
53.03936	2.7
55.01868	6.9
55.05518	29.0
55.48388	1.1
57.03444	11.2
57.62855	1.0
61.02946	1.2
67.05511	34.5
69.03440	12.8
69.07074	47.6
69.15119	6.5
69.15550	4.3
70.44350	1.2
71.04976	3.3
79.05497	30.6
81.03440	6.1
81.07063	24.4
83.04983	4.8
83.08623	10.1
85.02897	2.2
85.06577	1.4
87.54572	1.1
91.05488	17.9
93.07054	20.6
95.04973	8.4
95.08624	11.1
97.02898	19.1
97.06514	4.2
97.10181	16.6
98.97556	1.3
105.07038	13.1
107.04951	6.2
107.08612	15.2
109.06518	3.7
109.09555	1.3
109.10175	10.9
111.08101	3.2
115.05435	1.3
117.07032	8.1
118.23311	1.0
119.04930	1.1
119.07770	1.8
119.08571	12.1
121.06518	4.5
121.10140	6.2
123.08071	3.6
125.09645	15.0
128.06253	1.3
129.07045	2.8
130.07780	1.4
131.08572	7.6
133.06488	2.9
133.10141	6.3
135.08070	5.7
135.11681	4.4
137.09607	3.7
143.08588	2.9
145.10106	5.6
147.08072	5.1
147.11699	3.5
149.09637	1.8
149.13254	2.5
151.11211	1.8
153.09109	1.9
157.10136	3.8
159.08015	1.9
159.11710	3.1
159.95044	1.1
161.09636	3.1
165.09134	2.9
165.12775	1.1
169.10184	1.1
171.10242	1.7
171.11667	1.9
173.11900	1.2
175.11230	1.7
177.12761	2.0
185.04863	1.2
185.13356	1.4
189.11279	7.3
189.12798	1.5
193.12303	1.4
195.13863	2.8
205.12262	2.7
223.13307	34.0
227.12744	1.8
227.17961	1.7
245.19069	2.9
249.14934	1.5
255.17587	1.3
263.20200	2.1
267.09103	4.4
269.10663	2.2
273.18530	15.3
284.12924	1.3
285.10104	8.1
291.19562	100.0
292.19913	2.5
301.13211	1.7
347.22006	2.0
365.23270	40.3
366.23511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01873	12.6
55.05275	2.4
55.05518	34.5
57.03445	18.5
67.05511	51.8
69.03432	14.4
69.07073	39.1
70.90830	5.2
71.04997	5.0
77.82539	1.8
79.05072	3.5
79.05502	51.2
81.03445	11.1
81.06591	2.8
81.07063	48.2
83.04987	11.5
83.08631	13.9
85.06519	4.9
91.05488	38.0
93.06480	3.1
93.07042	38.2
95.04969	12.6
95.08622	21.0
97.02902	15.5
97.06529	6.7
97.10180	19.2
103.03919	2.2
105.07042	32.8
107.04974	13.0
107.08609	31.7
109.06530	9.4
109.10172	21.7
111.04433	2.6
111.08067	7.3
113.05981	4.3
117.07043	12.9
119.08591	15.3
121.06522	5.4
121.10145	11.8
123.08108	9.6
123.11706	5.4
125.09630	11.4
129.07019	4.1
131.08588	19.7
133.06497	9.4
133.10144	36.0
135.08052	16.5
135.11710	6.2
137.09610	5.3
137.68095	2.0
139.07549	2.1
141.07034	1.9
143.08545	4.3
145.06543	2.5
145.10135	9.6
147.08092	7.8
147.11699	6.0
149.09662	10.6
149.13232	2.1
151.11192	14.8
157.10123	4.3
159.08154	3.3
159.11711	4.1
161.09659	8.3
161.13297	2.2
163.11166	2.0
165.09097	2.4
171.10307	2.1
171.11694	4.5
175.11211	6.7
177.09094	5.3
177.12845	2.6
189.11226	4.8
189.12758	2.9
189.16447	1.8
195.13721	2.1
222.38309	1.9
223.13287	26.0
224.82726	1.7
227.17972	3.4
245.19095	6.1
253.14406	6.5
255.17419	3.4
263.20200	6.6
269.13840	2.7
273.18527	32.2
291.19586	100.0
292.19910	3.0
300.12656	2.3
303.65115	1.8
347.22153	2.5
365.23294	64.9
366.13715	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01871	8.8
55.05515	31.7
57.03443	12.1
59.04984	1.2
65.33002	0.9
67.05508	38.9
69.03436	12.1
69.07072	43.6
71.04977	3.2
71.12840	1.9
73.02916	0.9
79.05495	32.8
81.03416	7.2
81.07056	29.9
83.04971	4.5
83.08617	9.8
85.06538	1.3
91.05485	17.4
93.07045	21.7
95.04977	12.5
95.08605	13.8
97.02905	13.8
97.06519	3.4
97.10172	19.5
103.05473	0.9
105.04498	1.2
105.07025	14.5
107.04971	8.1
107.08599	14.3
109.06521	3.9
109.10159	11.9
111.08076	2.9
115.05447	1.3
117.07022	7.6
119.08591	11.9
121.06493	2.8
121.10154	4.8
123.08053	5.3
123.11671	1.5
125.09643	13.3
128.06223	1.5
129.07007	3.5
131.08577	8.6
133.06491	2.4
133.10138	7.3
135.08037	5.1
135.11674	3.4
137.09616	3.5
143.08580	3.3
145.10150	5.2
147.08086	5.1
147.11668	3.1
149.09610	1.8
149.13248	2.4
151.11201	1.9
153.09154	1.5
157.10118	2.7
159.11697	2.7
161.09602	2.9
163.11238	1.5
165.09122	2.9
171.10324	1.6
171.11688	1.5
173.11777	1.2
175.11221	2.7
177.12669	1.9
189.11246	7.1
189.12709	1.4
195.13759	1.3
205.12164	1.8
207.13762	1.1
223.13298	33.6
227.12648	1.4
245.19167	2.2
249.14923	1.4
263.20056	2.5
273.18472	12.1
291.19553	100.0
292.20023	2.6
347.22269	1.7
351.41144	1.0
365.23224	37.9
366.23611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.1
53.28518	1.3
55.01873	9.6
55.05519	38.4
56.96576	2.0
57.03445	19.4
59.68650	1.3
65.03938	2.3
66.49742	1.2
67.05508	47.8
69.03432	14.4
69.07076	58.7
69.23363	11.9
71.04998	2.7
73.01324	1.2
73.02927	1.7
74.37781	1.3
79.05500	43.4
81.03432	9.7
81.07066	40.1
83.04994	8.7
83.08626	13.5
85.02898	2.4
85.06533	2.7
91.05486	28.5
93.07051	27.8
95.04976	11.3
95.08608	15.6
97.02898	15.2
97.06536	7.2
97.10182	22.0
99.08138	1.4
103.05486	1.4
105.07040	18.6
106.83928	1.2
107.04970	12.4
107.08606	23.9
109.02859	1.6
109.06551	7.1
109.10167	15.4
111.08074	2.9
115.05437	1.9
117.07034	12.3
119.08595	16.1
121.06539	6.4
121.10154	8.5
123.04448	1.3
123.08078	5.9
123.11742	2.6
125.09647	20.4
127.11203	1.3
129.06999	5.4
131.08592	12.3
133.06525	3.2
133.10138	12.2
135.08058	7.6
135.11707	4.2
137.09621	5.0
139.07617	1.4
141.06877	1.5
143.08589	2.8
145.10130	10.2
147.08061	5.4
147.11728	5.5
149.09628	4.4
149.13274	4.7
151.11229	5.1
153.09103	3.4
157.10158	5.1
159.08025	1.7
159.11702	5.8
161.09641	4.3
163.11253	3.2
165.09100	3.6
169.10214	1.9
169.12318	1.8
171.10272	3.0
171.11635	3.3
175.11223	2.3
177.09155	1.7
177.12717	2.9
179.10649	1.4
185.13298	1.4
189.11206	9.1
195.13824	3.6
205.12265	1.7
205.41377	1.3
223.13295	27.4
227.17874	1.8
241.11116	2.1
245.19090	3.6
249.14879	1.5
253.14355	2.0
255.17416	3.3
259.12067	1.6
263.20129	2.1
267.40970	1.5
271.11194	1.4
273.18500	22.2
285.10379	2.3
291.19571	100.0
292.19806	2.2
343.15735	2.2
347.22433	3.2
361.22537	1.3
365.23224	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63935	0.9
53.03941	3.1
53.75583	1.0
55.01871	8.1
55.05513	26.6
57.03440	11.3
57.07081	1.9
65.03959	1.4
67.05509	32.9
69.03427	12.9
69.07074	54.5
71.04999	1.9
74.36818	1.1
78.19566	1.1
79.05075	1.8
79.05499	24.8
81.03403	2.8
81.07055	25.2
83.04986	5.1
83.08612	9.1
85.06537	2.9
91.05470	13.8
93.07053	19.1
93.96173	1.1
95.01322	1.6
95.04971	10.1
95.08617	12.5
97.02901	18.1
97.06528	3.7
97.10172	15.9
97.49256	1.2
105.07051	11.2
107.04939	5.1
107.08592	14.3
109.02909	1.7
109.06540	6.7
109.10175	9.5
111.04478	1.2
111.08105	1.7
113.05978	3.1
117.07030	6.0
117.15562	1.2
119.08591	10.4
121.06517	3.1
121.10139	4.6
123.04368	1.2
123.08076	3.9
123.11728	1.3
125.09649	11.5
129.07013	2.6
130.07797	1.2
131.08551	7.4
133.06441	1.5
133.10135	6.2
135.08026	6.0
135.11676	4.3
137.09625	4.7
143.08546	3.1
145.10083	4.8
147.08067	4.0
147.11679	4.6
149.09644	1.9
149.13261	3.8
151.11229	1.7
153.09132	2.0
157.10155	2.5
159.11722	3.5
160.50865	1.3
161.09630	3.2
163.11159	1.9
165.09105	2.9
171.10146	2.0
171.11705	1.7
177.12785	2.5
189.11230	6.7
195.11842	1.2
195.13794	2.5
205.12297	2.1
223.13297	27.8
227.12871	1.4
245.19061	2.0
249.14885	2.3
255.17381	1.4
263.20193	1.2
266.99939	3.1
273.18539	14.3
283.03046	7.3
285.04712	3.6
291.19553	100.0
292.19867	2.0
365.23224	33.5
365.27930	1.8
382.70087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01857	6.7
55.05515	11.9
56.36482	1.5
56.73905	1.4
57.03440	48.3
57.07053	3.5
65.03945	2.4
67.05506	44.2
69.03419	4.3
69.07069	15.4
71.04984	5.0
71.51206	2.4
79.05088	1.9
79.05498	26.5
81.03388	3.2
81.07060	24.5
83.04970	3.4
83.08604	4.4
85.06081	2.4
85.06552	35.0
91.04972	2.3
91.05485	24.0
93.07041	23.7
95.04369	3.0
95.04974	49.8
95.08607	13.6
97.02905	2.5
97.06516	4.4
97.10178	3.6
99.04429	1.9
103.05451	1.6
105.07035	19.7
107.04945	6.5
107.08606	15.9
109.06522	44.9
109.10147	5.3
111.08057	2.7
113.06010	100.0
115.05460	2.8
116.06237	2.0
117.07018	10.7
119.08575	14.0
121.06508	6.1
121.10130	6.4
123.08063	4.6
125.09615	3.4
128.06207	3.4
129.07007	9.0
131.08600	15.3
133.10123	8.7
135.08057	38.1
135.11671	6.2
141.06961	2.3
143.08569	8.3
144.09277	2.1
145.06584	1.9
145.10139	14.5
147.08038	3.6
147.11653	1.9
149.09624	6.7
149.13258	2.5
155.08553	3.1
156.09361	2.8
157.10139	10.8
159.08083	2.5
159.11714	9.7
161.09612	8.1
161.13202	2.2
163.11133	3.4
165.09125	4.9
169.10094	2.2
171.11658	7.5
173.09647	2.3
173.13274	3.0
175.11214	3.6
177.12723	2.5
179.14323	1.6
181.10150	2.7
183.11687	6.6
185.13167	2.5
187.11182	2.2
187.14723	3.0
193.10045	2.8
195.11687	4.8
195.13643	2.1
197.13277	3.4
199.14799	3.6
201.12814	1.9
207.11743	3.5
209.13271	4.3
217.15860	15.1
219.13559	1.5
221.13116	2.2
223.13124	2.6
223.15091	2.2
237.16420	4.1
245.18962	3.5
246.14346	1.6
255.17378	5.4
262.25735	1.4
273.18555	23.2
280.73969	1.5
291.19583	55.2
347.25955	3.1
365.22937	15.5
365.27414	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.5
55.01879	17.7
55.04420	2.4
55.05514	37.5
55.11987	2.6
56.96559	6.9
57.03444	22.2
59.04999	2.8
65.03929	6.0
67.05509	94.6
69.03436	13.4
69.06797	2.5
69.07076	26.4
70.06590	3.2
70.26080	2.4
71.04972	8.7
71.06871	2.4
71.51366	3.3
79.05499	81.8
81.03419	18.3
81.06591	5.4
81.07062	100.0
83.01345	3.2
83.04990	22.6
83.08630	12.7
85.02904	5.9
85.06535	7.4
91.05487	87.7
93.07055	74.3
95.04980	26.2
95.08047	4.4
95.08611	44.8
97.02870	6.2
97.06525	16.7
97.10172	3.9
98.97552	2.8
99.04415	3.1
105.04544	2.5
105.07039	72.6
107.04955	20.3
107.08599	55.5
109.02843	3.4
109.06532	16.9
109.10157	44.3
111.04432	6.3
111.08075	9.7
113.06009	7.0
115.05418	3.9
117.07023	17.5
119.08595	27.3
121.06532	14.6
121.10164	22.1
123.08076	9.4
123.11683	10.3
123.63039	2.3
125.05997	3.2
125.09627	3.1
127.07531	2.9
128.06227	5.1
129.07002	9.3
131.08571	27.2
133.06506	12.5
133.10135	87.0
135.08057	21.8
135.11682	11.9
135.36781	2.4
137.06007	4.5
137.09616	5.9
139.07533	7.9
139.11250	2.8
143.08566	12.3
145.10144	12.9
147.08003	11.3
147.11644	12.3
149.09624	24.0
151.11200	46.1
153.09105	4.2
157.10130	7.9
159.08041	7.6
159.11734	8.9
161.09650	14.4
161.13245	4.0
163.11229	4.0
165.12822	2.9
169.12216	5.7
171.11673	9.5
173.09633	2.8
173.13287	4.6
175.11179	8.5
177.09149	12.5
177.12784	2.5
179.10709	4.1
185.13248	4.6
189.12700	5.0
193.12115	2.6
215.12720	3.5
217.12183	5.8
219.13634	3.3
223.13347	3.0
227.18112	3.9
236.42310	2.7
245.18936	17.2
253.14401	23.0
255.17352	4.5
263.20114	9.4
267.09055	10.1
269.10587	7.0
269.13828	7.3
273.18524	43.3
285.10138	10.4
287.11612	3.7
291.19565	34.5
301.13074	3.0
347.21991	5.7
365.10364	3.5
365.23245	51.9
365.33499	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65111	0.6
70.99892	0.7
71.30975	1.6
80.95217	0.8
90.92550	0.7
92.60255	0.6
100.01841	0.7
101.00901	1.6
119.01951	1.5
143.01889	3.5
145.03471	1.3
155.01959	1.1
161.02971	1.0
173.02991	2.7
182.03522	1.0
185.03035	1.8
185.04266	23.4
187.04591	0.8
197.03004	1.2
203.05299	53.3
204.05728	0.8
224.04601	0.7
245.05124	6.1
263.06134	1.0
272.61050	0.7
365.10596	100.0
366.10931	1.5
370.17511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	17.2
55.05504	29.9
57.03426	8.3
66.68715	8.5
67.05492	27.9
69.03454	11.2
69.07088	19.2
69.18102	43.0
69.18533	47.1
71.04972	9.5
72.08152	13.7
79.05479	38.7
81.07056	80.4
82.06577	16.5
83.04986	9.5
84.04514	15.1
84.08121	12.1
85.02903	18.7
85.06528	20.7
86.58727	9.0
91.05463	43.6
93.07036	55.5
95.04977	16.6
95.08607	59.5
97.06527	21.0
98.09683	10.2
103.05458	12.3
105.07017	40.6
107.04950	26.3
107.08608	47.0
109.10144	38.3
111.04434	11.2
111.08054	8.5
117.07085	20.2
119.04917	17.6
119.08543	19.2
121.06538	18.3
121.10125	29.3
123.04420	46.8
123.11709	13.7
128.07120	43.6
131.08658	9.6
133.02905	10.9
133.10153	15.7
135.08015	9.6
135.11734	18.9
137.05965	36.4
141.10255	11.2
142.08656	31.7
147.04387	11.6
147.11659	20.3
149.05968	16.9
149.13252	15.5
153.05524	11.1
155.79063	9.9
157.06485	10.9
159.11597	9.1
161.06027	21.8
161.09671	10.1
163.07536	11.9
163.14796	16.6
165.02206	8.9
165.05511	18.5
167.07080	21.6
170.08125	50.5
170.18903	9.2
181.05002	22.0
181.08589	25.2
187.10789	100.0
188.09236	59.5
189.09076	22.4
208.09686	10.3
210.06577	11.5
225.08853	11.8
239.06995	9.7
281.42694	9.3
289.25208	17.1
362.19498	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	362.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92422	1.1
52.20921	0.9
54.35771	1.0
55.05537	0.9
65.03959	1.1
67.05485	0.9
70.06565	1.5
70.79581	1.7
70.79892	1.1
79.05486	4.4
79.73534	1.0
81.03418	1.1
86.09686	1.5
87.26138	1.1
91.05481	8.7
93.07033	1.1
94.04185	4.9
95.05033	2.0
103.05463	1.4
107.04964	19.1
108.05793	2.1
111.04433	1.2
117.03365	1.3
118.04237	1.1
118.06546	15.4
119.04986	12.8
119.07332	100.0
120.05711	5.4
120.08138	1.4
122.02705	1.7
123.04450	3.1
131.04930	3.0
133.02885	1.7
134.06023	8.3
135.04396	4.1
136.05186	3.8
138.84570	1.0
141.06947	1.7
147.04390	2.5
165.07022	2.7
165.09103	4.7
169.06552	2.4
177.09111	2.1
178.53116	1.0
179.03485	1.6
182.07408	1.5
183.08096	2.4
187.07578	2.6
189.07037	1.4
191.08527	1.5
193.06473	1.2
195.08099	1.7
207.08109	2.7
210.06834	2.8
211.07588	4.4
214.03720	1.0
223.07613	3.4
224.08258	4.9
225.09129	9.4
235.07581	6.9
236.08188	1.4
237.09053	5.7
239.07076	5.0
241.08685	7.4
243.06506	9.4
252.10138	1.5
253.08614	22.3
254.11804	9.5
255.10327	6.0
257.08078	14.7
270.11258	24.5
271.09625	2.3
272.09824	1.3
281.08115	5.4
283.09631	3.2
285.07642	2.0
299.09155	19.9
300.12332	1.6
301.90900	1.2
303.08627	2.2
316.11813	87.9
317.10022	1.8
327.08893	1.9
345.09720	23.2
346.10022	1.5
362.12357	37.3
362.16885	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	361.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
53.19812	1.8
54.74754	1.6
55.01870	3.2
57.03435	1.7
59.30351	1.7
65.03944	2.3
66.98305	1.8
67.05515	3.6
69.03440	2.9
69.07063	2.2
70.06594	4.2
71.51305	2.4
78.04697	1.9
79.05492	14.1
81.07059	5.4
85.02917	2.5
91.05490	31.1
93.07034	14.7
95.04968	7.9
95.08598	3.8
97.06533	6.0
99.59761	2.0
103.05468	11.5
105.07046	12.5
107.04960	31.4
107.08556	3.0
109.02890	3.9
110.01229	1.8
111.04457	2.6
115.05473	7.8
117.06995	5.6
119.04960	9.7
119.08607	3.6
120.05752	5.1
121.06514	21.8
121.10145	2.8
122.03640	3.1
123.04391	9.8
123.08091	2.3
124.05199	6.5
128.06238	8.4
128.78488	1.9
129.07018	29.7
130.07719	2.0
131.04930	10.2
131.07683	2.0
131.08533	10.8
133.02863	3.8
133.06500	5.1
133.10100	3.3
135.04428	4.5
135.08025	5.9
137.05994	23.8
143.08562	2.1
144.05704	2.4
145.06494	8.3
145.10150	2.8
146.03621	2.7
146.07341	3.1
147.04391	5.6
148.05203	3.9
149.05966	8.4
149.09590	2.0
151.03929	6.2
151.07552	21.9
152.04692	3.9
153.05472	14.5
153.06720	3.2
154.07732	1.9
155.07076	4.2
156.05710	2.7
157.06488	22.9
161.05989	41.6
161.09639	8.6
163.07538	23.3
165.05589	2.4
165.06966	9.8
165.09073	9.5
166.06271	10.5
166.07657	3.1
167.07062	71.7
167.08580	6.5
169.06447	2.3
171.08063	2.3
173.05952	3.6
174.06784	14.8
175.07536	7.8
177.05566	4.3
177.09155	11.3
178.07829	3.6
179.07066	4.5
179.08572	7.7
179.10620	1.8
181.06599	4.7
181.08609	100.0
182.07259	7.1
182.08908	3.2
183.08131	2.2
184.60583	2.0
185.05911	2.5
185.09625	2.2
187.07545	2.1
188.08397	1.9
189.09125	72.1
190.07874	3.4
191.08565	5.0
191.10550	3.5
193.06389	2.9
194.07335	6.6
195.08026	13.6
197.05940	4.6
197.09578	12.3
199.07576	4.6
201.05472	2.5
201.09135	2.6
203.10800	1.8
205.06493	3.4
207.06346	2.8
207.08153	5.2
207.10152	11.6
208.08818	4.5
209.05887	3.2
209.09673	4.5
210.06775	6.9
211.07550	6.4
211.11310	2.2
212.08400	3.0
213.09106	2.6
218.07336	2.5
219.08047	8.3
221.06061	5.0
222.03954	2.3
222.06607	4.1
223.07524	9.4
223.11240	5.4
224.08293	5.6
225.05537	3.5
225.09109	19.7
226.06194	3.2
227.07007	5.6
229.12340	3.9
235.07617	6.0
236.08316	7.3
237.09172	6.2
239.06920	5.2
239.10716	3.3
240.07814	6.4
241.08617	4.0
242.09351	3.7
245.11848	2.3
249.09267	3.2
250.09818	2.7
251.07118	4.4
251.10643	5.6
253.08633	19.9
254.09230	3.2
255.06488	3.8
255.10213	6.9
257.08044	2.8
257.11761	18.9
265.08636	5.6
267.10187	5.0
269.08011	2.7
269.11743	3.1
270.08859	6.5
271.13315	6.6
279.10104	6.6
281.08231	2.5
283.09668	15.3
283.13293	12.0
285.08008	4.2
285.11224	36.0
297.11105	4.0
299.09500	2.3
299.12766	6.5
300.06329	3.7
301.14044	2.5
302.11520	4.3
302.17474	5.1
311.12872	11.0
315.08795	4.2
315.12201	17.9
317.13889	19.5
328.13324	2.1
329.14148	4.0
331.15454	2.7
343.15433	11.7
361.13141	2.1
361.16586	16.2
361.50992	2.2
362.19675	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03931	3.5
55.01860	3.2
55.05488	1.0
60.17560	0.7
65.03932	2.5
67.05501	1.8
69.03409	1.4
69.07058	1.0
69.35173	6.9
77.03929	1.9
78.04708	3.8
78.14005	0.7
79.05490	17.6
81.03407	1.3
81.07037	3.6
85.02915	1.0
90.76535	1.1
91.05479	30.7
93.03404	1.4
93.07043	12.2
94.04176	1.1
95.04972	10.9
95.08622	1.3
95.25031	0.8
97.06509	1.4
98.20760	1.7
102.04713	0.7
103.05469	15.0
105.03384	1.9
105.04503	3.0
105.07037	14.1
106.04178	2.4
107.04957	43.0
108.05759	1.1
108.62029	0.9
109.02893	1.1
109.06510	3.8
111.04424	3.0
115.05475	5.8
116.06248	1.8
117.07030	7.9
118.04172	2.8
119.04945	9.4
119.08582	3.0
120.05697	3.1
121.02825	1.7
121.06507	22.7
122.03674	2.0
123.04438	8.9
123.08133	1.2
124.05215	5.6
124.07610	1.1
125.06015	2.7
127.03909	1.2
128.06235	13.2
129.07010	33.3
129.24672	0.8
131.04942	13.1
131.05907	0.8
131.08563	16.7
132.05713	1.9
133.02852	4.7
133.06473	5.3
134.03627	2.1
135.04422	4.4
135.08075	8.5
136.05220	2.3
137.05980	21.9
138.03090	1.4
138.06738	2.0
139.03873	0.9
139.07559	1.3
140.04712	2.0
141.05702	0.8
141.07016	2.5
143.04913	1.5
143.08588	1.3
144.05687	2.3
145.06479	9.4
146.03662	2.0
146.07285	4.2
147.04422	6.8
147.08029	4.0
148.05157	5.5
149.02391	1.2
149.06001	9.3
149.09541	1.9
150.06763	2.4
151.03909	7.4
151.07544	19.2
152.04678	4.5
152.06192	3.0
153.05475	17.2
153.06825	1.8
154.07796	1.8
155.05939	1.8
155.07034	2.3
155.08426	1.2
156.05713	1.3
157.06497	22.4
158.07266	1.5
159.04402	1.5
159.08066	4.2
160.05183	1.4
161.05991	44.3
161.09619	11.8
162.06606	1.7
163.03984	1.2
163.07549	25.3
165.05502	3.2
165.07001	13.1
165.09090	10.3
166.06256	11.1
166.07735	3.2
167.07057	73.5
167.08557	7.1
168.07376	2.2
169.06465	2.8
169.10132	1.9
169.86076	0.9
171.07999	2.3
173.06009	2.5
174.06776	14.8
175.07538	8.7
176.06229	1.3
176.08156	1.1
177.05461	2.6
177.06760	4.1
177.09103	11.7
178.07774	3.7
179.07042	4.7
179.08566	6.0
179.10602	1.7
180.05675	2.0
180.07852	1.2
180.09291	1.0
181.06573	6.0
181.08595	100.0
182.07291	8.5
182.08865	1.4
183.08102	4.4
185.06113	0.9
187.07614	2.3
188.08206	1.1
189.09106	80.4
190.07883	3.9
190.09412	1.6
191.07068	1.5
191.08582	5.9
191.10661	1.8
192.07683	1.1
192.09306	1.1
193.06493	5.8
193.08543	2.0
193.10207	1.5
194.07256	7.3
195.04483	1.0
195.06319	1.3
195.08064	15.0
195.09912	1.0
196.05241	1.0
196.08844	1.8
197.06018	5.0
197.09622	12.4
198.06677	1.4
199.07455	4.0
199.84007	0.8
201.09128	1.4
202.07805	1.5
203.06911	1.3
203.08652	2.0
203.10661	2.3
205.06508	2.5
205.10303	1.6
206.07399	1.0
207.08051	5.9
207.10184	15.6
208.05273	1.7
208.08832	5.4
208.69334	0.9
209.05951	4.1
209.09625	2.4
210.06799	7.5
211.07552	8.3
212.08298	4.0
213.09071	2.2
218.07292	2.6
219.08054	10.5
219.10074	1.8
221.05965	7.0
221.09515	1.3
222.06734	5.5
223.07561	12.4
223.11095	5.9
224.08321	4.0
225.05693	4.1
225.09097	20.6
226.06256	2.4
226.09752	1.6
227.07007	8.8
227.10608	1.9
228.07498	1.1
229.12259	3.7
233.09648	1.8
235.07550	6.9
236.04709	1.6
236.08313	6.8
237.05437	1.5
237.09100	6.4
238.06198	3.4
239.07021	6.8
239.10701	3.7
240.07787	8.0
241.08693	5.0
242.09348	3.8
243.10251	1.3
247.07532	4.6
248.08386	1.4
249.05518	1.1
249.09045	1.4
250.06233	1.5
250.09898	1.0
251.07066	6.9
251.10658	11.0
252.07748	2.4
253.04852	1.8
253.05673	1.5
253.08586	19.4
254.05397	0.9
254.09320	2.7
255.06456	6.5
255.10188	7.3
256.07169	1.1
256.10886	2.0
257.08112	2.2
257.11761	17.4
263.07056	1.2
264.07806	2.3
265.08484	5.0
267.06625	1.1
267.10126	6.3
268.07358	3.3
268.10843	1.9
269.08105	3.9
269.11853	2.4
270.08899	6.3
271.09671	1.6
271.13309	3.6
279.10217	9.8
281.08032	4.0
282.08838	1.9
283.09674	19.4
283.13297	10.8
284.10333	2.2
285.07758	2.2
285.11203	30.4
286.11810	2.3
287.09055	1.5
289.14575	1.6
295.09637	0.9
296.10461	4.2
297.11127	4.8
299.09073	3.9
299.12769	6.2
300.09808	1.1
301.14365	2.5
302.11374	6.1
311.12790	9.7
313.10510	1.7
314.11377	1.9
315.12238	20.4
316.12592	2.3
317.13809	19.8
328.12994	1.5
329.13879	6.5
330.14374	1.1
331.15338	3.2
343.15393	9.0
361.16248	29.4
361.20865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01872	3.1
58.38491	1.3
60.37967	1.6
65.03958	2.2
67.05502	3.9
70.70918	4.7
78.04731	2.0
79.05492	15.7
81.07063	5.6
82.06568	1.9
83.04974	1.6
85.32864	1.5
87.05601	1.5
89.01806	1.4
91.05491	24.9
93.07054	14.8
95.04958	8.1
95.08608	3.4
97.06524	1.7
103.05477	14.2
105.03400	1.8
105.07050	11.3
107.04956	38.8
109.02905	1.8
109.06521	2.4
111.04427	3.0
115.05453	5.0
116.06227	1.4
117.07045	5.7
119.04956	5.3
119.08564	2.8
120.05715	3.6
121.06504	22.3
121.10175	1.7
122.03659	2.3
123.04433	11.4
123.08058	2.3
123.11796	1.7
124.05241	3.5
125.06025	1.9
128.06226	7.8
128.07076	3.0
129.07013	26.0
131.04926	11.5
131.08572	14.2
132.05754	1.6
133.02888	2.6
133.06509	6.2
133.10147	1.9
135.04456	2.2
135.08028	7.3
136.05183	2.3
137.05994	22.2
138.06717	1.7
139.07513	1.9
140.04634	2.7
143.08633	2.8
145.06512	8.2
146.03601	2.6
146.07210	3.1
147.04413	9.0
147.08084	3.5
148.05183	4.5
149.05995	6.4
151.03915	6.0
151.07545	18.1
152.04695	4.6
152.06143	2.6
153.05486	16.2
153.06703	2.6
155.07083	1.9
156.05618	2.0
157.06483	19.3
158.07277	2.3
159.08049	3.8
161.05984	39.1
161.09647	10.6
163.07553	22.9
165.05588	3.0
165.07018	11.1
165.09055	10.1
166.06270	10.0
166.07643	3.0
167.07057	71.7
167.08569	5.5
169.06543	2.3
169.10115	2.7
171.08121	2.0
173.06033	1.6
174.06792	13.2
175.07501	7.1
177.06950	1.4
177.09151	8.4
178.07759	3.8
179.07047	3.7
179.08572	5.1
181.06546	5.6
181.08603	100.0
182.07260	7.4
182.08818	2.4
183.08073	3.8
187.10794	7.1
189.09103	80.7
190.07820	2.3
191.06981	1.9
191.08623	3.9
191.10695	2.6
193.06503	3.7
193.10223	2.0
194.07230	3.4
195.08058	12.5
195.09714	2.0
196.08780	2.4
197.05997	4.1
197.07971	1.6
197.09627	8.9
199.07571	4.1
203.10712	1.8
205.06531	2.7
207.08054	5.7
207.10179	15.6
208.08867	5.2
209.06003	2.9
209.09569	2.2
210.06749	6.0
211.07567	5.5
212.08345	2.7
213.09174	2.3
218.07382	2.3
219.08076	7.0
219.10133	1.6
221.06012	5.1
221.09702	1.7
221.63918	1.8
222.06792	3.7
223.07527	9.4
223.11215	5.3
224.08350	3.5
225.05507	3.7
225.09097	20.4
226.06184	1.7
227.06995	7.2
229.12308	4.4
235.07516	4.4
236.04584	1.6
236.08340	6.0
237.09073	4.5
238.06221	1.6
239.07054	6.0
239.10641	3.6
240.07854	4.6
241.08563	6.2
242.09383	4.1
247.07582	3.5
250.09944	1.8
251.07063	4.5
251.10713	7.3
252.07739	1.9
253.04942	1.7
253.08589	15.9
255.06563	3.7
255.10242	4.5
257.08972	2.2
257.11703	16.3
267.06610	2.2
267.10184	3.2
268.07452	2.6
268.11050	2.0
269.08124	2.9
270.08890	5.4
271.13324	2.2
279.10226	4.7
281.08035	2.4
283.09674	14.3
283.13315	11.1
284.10281	2.0
285.07962	2.3
285.11172	33.6
296.10321	2.4
299.09573	2.9
299.12872	3.5
302.11469	4.3
311.12778	9.8
315.12241	19.4
317.13818	19.8
329.13736	4.2
331.15317	3.6
343.15521	7.1
361.16449	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03945	3.2
55.01862	3.3
55.05509	0.9
57.03420	1.6
65.03933	2.8
67.05491	1.7
69.03409	1.8
69.07048	0.9
70.06580	1.5
71.04979	0.9
71.50884	0.8
77.03917	1.3
78.04706	2.3
78.86970	0.6
79.05068	1.0
79.05495	15.1
79.05948	0.5
81.03410	0.9
81.07072	3.2
83.04960	1.3
84.04494	1.6
84.08147	0.9
85.02895	1.2
86.09692	1.3
89.03925	1.0
91.05485	33.8
92.06255	1.2
93.03405	0.8
93.07045	13.8
94.04152	1.0
94.06553	1.0
95.04975	8.9
97.02892	0.8
99.04456	1.3
103.05472	20.8
105.03423	1.6
105.04510	2.1
105.07034	14.7
106.04169	1.8
107.04960	52.4
107.08611	1.6
109.06501	2.9
109.10210	1.1
111.04432	3.1
115.05440	7.8
116.06243	1.1
117.07024	6.9
118.04162	1.4
119.04961	10.0
119.08585	1.8
120.04434	1.1
120.05762	4.6
121.02887	0.9
121.06511	23.6
122.03668	2.1
122.06076	1.2
123.04430	10.8
123.08057	1.4
124.05236	5.3
125.05984	2.7
127.03922	1.7
128.06232	9.3
129.07013	27.5
130.07738	1.0
131.04933	12.8
131.08578	12.1
132.05704	1.3
133.02863	4.5
133.06519	5.1
133.10127	0.7
134.03601	1.6
135.04437	4.5
135.08058	11.5
136.05177	2.5
137.05980	25.7
138.03113	1.8
138.06766	2.3
139.03928	1.1
139.07539	1.3
140.04703	1.8
140.07040	2.0
141.06999	2.4
142.08653	1.4
143.04913	1.6
143.08560	1.9
144.05666	1.1
145.06490	6.4
146.03596	2.2
146.07263	2.5
147.04411	6.8
147.08046	4.1
148.05202	4.7
149.02335	2.2
149.05983	7.5
149.09549	0.9
150.06696	2.1
151.03905	4.6
151.07541	22.1
152.04686	4.3
152.06177	2.6
153.05486	15.1
153.06886	2.0
154.07719	1.5
155.05997	1.6
155.07068	2.1
155.08607	0.9
156.05713	1.1
157.06496	20.4
158.07271	1.8
159.04387	1.1
159.08003	3.2
160.05249	1.5
161.05984	54.4
161.09622	15.4
163.03937	3.2
163.07545	42.4
164.04613	1.1
165.05484	7.3
165.06998	10.3
165.09111	8.9
166.04901	1.3
166.06248	9.7
166.07719	2.3
167.07057	61.5
167.08543	5.1
169.06474	1.6
169.10001	1.4
171.08044	2.4
173.05954	2.5
174.06775	13.6
175.07527	7.9
176.06187	0.8
177.01845	2.2
177.05536	1.4
177.07027	2.1
177.09094	9.9
177.37804	0.6
178.07806	3.0
179.07036	8.1
179.08575	5.4
179.10504	1.0
180.07823	13.7
180.09225	0.9
181.05072	2.0
181.06602	5.5
181.08598	100.0
182.07268	5.8
182.08881	1.9
183.08063	2.8
187.07544	2.0
188.03438	5.3
188.08250	1.0
189.09111	80.9
190.07777	2.2
190.09441	1.3
191.07025	1.6
191.08585	4.0
191.10663	2.2
191.30246	0.7
193.06502	4.5
193.08624	2.1
193.10129	0.8
194.07288	4.7
195.08046	11.7
196.08832	2.0
197.05946	2.8
197.09648	9.5
199.07555	3.7
201.87039	0.7
203.08727	0.8
203.10800	2.0
205.06532	1.7
206.04494	3.2
207.08080	4.6
207.10172	22.1
208.05290	1.4
208.08780	4.5
209.05945	1.8
209.09668	2.7
210.06760	7.0
211.07542	6.4
211.11224	1.1
212.04700	0.9
212.08321	3.1
213.05698	0.8
213.09100	1.2
214.09988	0.8
218.07294	2.4
219.04543	0.9
219.08144	5.5
219.10107	1.4
220.06145	1.6
220.08868	0.8
221.05946	5.8
221.09625	1.5
222.06784	2.6
222.10356	0.7
223.07524	7.5
223.11081	3.4
224.08333	3.0
225.05457	2.9
225.09082	15.8
226.06200	1.7
226.09773	1.1
227.07060	6.9
227.10728	1.3
229.12206	3.4
233.09631	1.3
235.07591	4.0
236.08385	4.0
237.05521	1.6
237.09120	3.1
238.06223	2.3
239.07095	4.9
239.10657	2.7
240.07846	4.2
241.08595	2.6
242.09348	2.3
243.10222	0.9
243.89792	0.7
247.07535	2.6
250.06325	0.8
251.06886	4.5
251.10619	5.0
252.07852	1.2
253.04878	0.7
253.05743	0.9
253.08600	15.4
254.09206	2.1
255.06509	3.0
255.10130	6.0
256.07196	0.9
256.10925	0.7
257.08621	1.2
257.11700	15.8
263.07001	1.0
264.07672	1.2
265.08627	2.2
267.06604	1.3
267.10162	2.9
268.07324	2.4
268.10703	1.2
269.08157	1.9
269.11688	0.8
270.08832	4.2
271.09650	1.6
271.13345	2.7
279.10181	7.3
281.08136	2.3
281.11591	0.7
282.08969	0.8
283.09680	11.4
283.13287	8.8
284.10059	1.0
285.07770	2.0
285.11194	35.2
286.11908	1.5
287.09262	1.0
287.12445	1.2
289.14273	1.2
293.11563	0.9
295.09268	0.9
296.10428	2.0
297.11273	2.9
299.09149	3.3
299.12720	5.1
300.09903	2.0
300.13333	0.8
301.11304	0.8
301.14517	1.3
302.11499	3.4
305.13684	0.7
311.12790	7.5
313.10733	0.7
314.11551	1.4
315.08527	0.9
315.12244	17.8
317.13843	19.3
317.17523	1.1
328.13004	1.3
329.06796	1.1
329.10788	1.5
329.13904	2.3
331.15344	3.6
343.15448	8.5
361.16846	6.8
378.96973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.1
61.33506	4.1
65.36677	4.1
69.03433	8.7
69.07109	4.3
70.06597	9.4
71.42123	9.7
71.48177	3.8
79.05499	10.0
81.03420	15.8
81.07050	4.2
85.02905	15.8
85.37029	4.5
86.09720	9.4
91.05471	23.8
93.07046	12.5
95.04984	4.2
107.04973	12.5
109.02884	5.5
118.06523	5.6
119.04980	10.3
119.07336	29.3
121.06503	22.9
122.03645	5.2
123.04425	12.4
123.08075	9.2
127.03947	6.3
131.04982	5.1
134.05943	5.4
137.05988	100.0
139.07568	13.3
147.04419	7.3
149.06007	18.3
151.07518	7.9
153.07045	6.1
154.04904	4.9
163.03859	5.7
163.07527	5.1
165.05716	4.7
165.07036	15.0
166.05013	14.7
167.07057	93.4
167.08447	9.0
168.03038	4.4
175.07564	9.5
179.07095	5.4
181.06625	6.8
181.08551	6.1
183.08058	13.3
184.38098	4.7
193.06441	7.5
199.09650	16.9
211.07549	14.4
225.09233	6.9
229.08444	5.3
237.09244	8.0
239.07097	7.8
253.08499	5.2
257.05133	4.8
257.08051	7.0
262.17587	5.0
270.11218	8.2
271.09680	48.0
272.10379	13.6
297.11282	19.5
299.09372	7.8
316.11676	26.7
318.09836	9.7
345.09641	5.4
361.10043	7.5
361.14182	8.6
362.12381	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	361.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14374	1.5
52.52574	1.4
56.96545	2.0
69.03452	2.7
71.49864	2.9
84.08122	2.4
85.02902	4.4
86.09710	3.4
94.14020	1.5
97.02910	2.3
101.06039	1.4
103.02509	1.5
107.04935	1.8
109.02944	2.2
119.01919	1.8
119.07298	3.4
123.04393	2.1
135.06801	1.5
137.00858	1.5
137.05974	3.1
155.08601	1.8
165.06972	8.5
166.07851	1.9
169.06522	2.2
169.71454	1.6
178.07811	4.6
179.08563	20.0
181.06448	2.7
183.08054	25.0
189.06976	2.8
191.08575	3.3
193.06497	5.3
194.07326	4.2
195.08115	3.4
197.06021	2.4
200.09174	4.1
206.07204	3.1
207.08060	55.2
209.09660	5.2
210.09116	9.0
211.07561	16.8
217.06483	6.7
218.07188	2.2
219.08110	2.5
221.05966	11.9
223.07579	4.3
234.06793	2.7
234.09073	2.4
235.07552	100.0
236.08076	1.7
237.09167	10.0
238.08731	4.5
239.07047	65.8
252.10205	74.2
252.12862	3.8
253.08446	2.3
254.11694	1.9
262.08624	2.5
263.07001	9.4
267.06509	3.4
269.13199	1.9
280.09698	13.2
281.08081	51.5
282.08377	2.6
283.09601	1.8
284.09280	7.7
297.12344	47.9
298.10742	71.0
299.11145	2.0
315.13354	16.6
326.10239	12.6
327.08679	3.0
343.12897	58.0
344.11481	3.8
361.14316	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
53.52242	3.1
55.01869	4.8
55.05498	2.9
56.96580	4.8
57.03426	4.9
58.11626	2.8
58.99864	4.2
59.57808	2.7
61.02919	5.7
63.75743	3.1
67.05490	3.7
69.03438	23.1
70.06609	4.7
70.99864	3.6
71.04974	5.5
71.50820	5.6
73.02898	7.0
77.00924	4.4
81.03426	16.2
82.99854	4.9
83.04992	3.4
84.08150	9.8
85.02442	3.9
85.02910	47.2
86.09697	4.5
91.05479	9.9
95.04967	7.8
97.02904	19.5
98.97568	4.6
99.04460	5.9
101.00282	5.4
101.00890	64.7
103.02502	2.9
105.00393	3.9
105.03371	8.1
107.04942	5.2
109.02872	9.3
112.07604	5.7
113.00863	12.0
115.02419	8.4
117.04011	3.9
118.06539	4.3
119.01927	100.0
119.04922	8.9
119.07336	20.3
123.04453	3.4
127.02409	7.4
127.03892	14.9
129.01855	3.2
129.03989	7.5
131.01917	25.6
131.05592	3.3
133.03491	7.8
134.06036	8.5
135.06767	10.1
137.02945	8.3
137.06017	6.8
139.02411	7.2
143.01921	36.1
145.03485	30.7
145.05045	5.7
147.01389	5.0
147.04259	6.3
147.05159	5.8
153.01819	4.6
153.03979	10.7
155.01880	15.1
155.05516	18.3
157.03484	42.5
159.05060	3.5
161.02966	45.6
163.04559	8.1
167.05515	4.3
169.03436	7.1
171.03589	5.8
171.05032	38.9
173.02986	14.3
173.06660	24.7
175.04564	28.4
177.05420	6.1
179.08611	3.5
181.03453	25.7
183.05017	9.8
185.01511	3.3
185.02942	18.3
185.06589	13.2
186.04510	3.7
187.04597	12.0
187.06110	3.3
189.06044	5.7
191.03981	4.0
193.03404	3.6
195.01378	4.0
195.05051	34.4
197.02965	5.1
197.06636	31.8
199.04541	99.2
201.06143	7.9
203.04005	20.6
211.04550	29.3
213.02524	7.5
213.06183	34.6
214.03311	3.4
215.04010	6.6
215.07700	16.7
216.55608	3.2
217.05554	21.4
221.05089	11.9
222.05696	3.1
223.04555	32.5
225.02313	4.2
225.06139	6.7
227.04065	4.7
229.05568	13.5
235.07346	9.2
237.09140	7.0
239.07289	5.6
241.01964	5.0
241.05594	95.8
241.08371	5.3
242.05682	4.2
243.06699	4.8
245.05107	15.3
249.02460	34.7
252.10141	7.3
253.05544	7.3
254.11792	10.6
255.07376	3.5
255.10106	3.3
257.08521	4.3
259.06702	26.2
261.04520	3.8
263.06473	3.7
267.03488	38.7
269.12827	7.2
270.11169	10.8
271.06470	3.8
275.09760	13.2
281.08206	3.9
283.06631	9.0
289.07480	3.2
298.10779	6.9
300.12363	3.7
301.07657	48.9
305.08438	6.4
315.13339	34.1
316.11478	5.1
319.05280	3.2
319.08771	38.4
323.09802	5.0
327.51511	3.9
333.25146	4.1
337.09894	7.9
361.09644	26.5
361.13992	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06944	0.6
55.01870	0.9
57.03439	1.5
67.05496	0.6
68.99792	1.7
70.06609	2.9
70.90969	1.2
79.05495	1.3
83.01328	0.7
91.05468	2.6
93.07018	0.9
95.04962	1.3
95.08623	1.2
96.73130	0.6
105.07037	1.4
107.04958	1.2
107.08623	0.6
117.07037	2.2
119.04958	2.6
121.06509	3.4
123.04444	22.2
123.05339	1.1
123.07991	0.6
129.06973	1.0
135.04428	1.8
135.08075	4.0
136.07578	2.1
137.06000	1.4
145.06532	2.7
147.04427	8.1
149.05971	2.6
151.03918	1.6
157.06442	1.0
161.06033	2.8
163.03920	2.0
163.06296	1.0
163.07568	12.5
165.05487	4.2
165.69492	0.6
173.06006	7.3
175.07579	1.2
176.04762	0.9
179.07033	5.3
190.08647	12.2
191.07047	61.9
192.07417	0.7
203.06996	2.8
207.06560	0.9
208.09706	100.0
209.09975	1.0
220.09669	1.6
325.10822	4.8
342.13470	4.0
343.11722	2.5
360.14432	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56281	7.2
55.01881	12.2
55.05508	20.8
67.05508	50.9
69.03432	11.5
69.07057	27.7
69.87311	41.3
71.04993	19.4
79.05495	49.5
81.07063	100.0
83.04969	13.5
83.08645	8.9
84.04505	10.6
85.02894	10.4
85.06558	15.0
87.71388	8.2
91.05477	33.9
93.07043	56.1
95.04952	16.0
95.08612	70.9
97.06567	40.9
98.21416	10.8
105.07051	42.3
107.08601	49.1
109.06532	10.1
109.10165	38.2
111.04484	7.8
119.04922	10.7
119.08584	26.9
121.10151	33.3
123.04449	24.1
123.11688	20.5
131.08588	25.8
133.06454	9.1
133.10135	24.7
135.11697	24.9
137.05966	14.1
137.09596	10.3
142.81250	8.1
145.10123	20.0
147.11714	23.7
149.13260	15.9
159.11768	11.6
161.13225	13.6
207.02937	11.7
313.07065	9.0
359.19403	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13007	1.8
55.01878	2.8
55.05515	2.7
56.26096	1.8
65.03956	2.3
67.05508	2.0
69.03453	1.8
69.55827	10.7
70.06599	11.8
70.06956	1.9
73.02916	2.9
79.05515	5.6
81.03408	1.9
81.07063	9.0
83.01340	2.9
84.04514	7.2
84.08128	3.0
85.02898	6.2
86.09699	2.6
87.04474	6.9
91.05486	100.0
95.05001	3.2
97.02872	2.6
97.06518	5.9
98.21513	3.6
99.04468	3.7
105.07053	2.6
107.08672	2.0
110.09675	2.9
111.00826	4.6
114.05538	5.1
115.03940	5.3
117.07019	2.4
119.04921	2.8
121.06525	5.1
123.04437	7.5
123.11724	5.4
125.09679	2.7
129.06989	1.9
130.05038	3.6
130.06519	2.3
133.04968	3.7
135.04385	2.7
137.05991	8.5
138.09155	2.6
142.05008	4.6
143.03441	10.4
149.02348	63.2
149.03517	4.3
152.48151	2.2
156.10214	3.9
161.05969	3.1
163.03932	37.2
163.07527	4.2
166.05943	2.0
167.07111	2.2
173.06091	2.2
174.08745	3.5
179.06967	2.1
181.04980	16.3
181.08696	2.6
181.88416	1.9
190.08664	3.6
191.07056	16.4
202.10771	16.5
208.09715	35.1
279.08792	3.3
316.15790	4.2
342.19083	3.7
360.10712	2.2
360.14081	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	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03424	2.0
57.04875	1.4
61.02902	1.9
69.03433	7.0
69.63329	8.3
69.63728	2.4
71.04990	1.5
76.79317	1.4
78.19411	1.3
79.05455	1.6
80.12788	1.2
81.03415	3.4
81.07053	2.6
85.02910	26.4
91.05495	7.3
93.07062	8.6
95.04984	2.6
97.02896	6.6
99.04420	1.5
105.07023	7.9
107.08597	19.7
109.02883	4.3
109.10168	2.7
119.08595	2.2
121.06522	1.4
123.04421	1.8
127.03908	5.3
133.10141	22.8
135.11700	20.3
145.04950	2.3
151.11179	2.6
161.09610	10.6
179.10678	38.2
197.11737	100.0
198.12166	2.2
208.09758	1.4
315.61081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05511	1.6
57.03435	2.2
61.02918	1.6
67.05495	3.7
67.05879	1.0
69.03448	2.8
69.07068	2.4
70.06586	2.2
71.04970	1.7
71.51572	1.4
79.05506	5.7
81.03427	2.0
81.07073	7.9
83.05001	1.2
83.08562	1.5
84.04530	1.9
85.02918	10.1
85.06524	1.4
85.30159	1.1
86.09696	6.7
91.05479	7.3
93.07050	9.9
95.04963	3.3
95.08602	3.6
97.02914	4.0
105.07037	10.2
107.04988	1.7
107.08598	29.1
109.02885	1.4
109.06519	1.9
109.10181	4.0
111.04472	1.6
117.07063	1.5
119.08583	5.2
121.06544	2.2
121.10155	4.8
123.04450	2.7
123.08122	1.5
123.11774	1.6
127.03965	1.6
131.04962	1.3
131.08600	1.2
133.06500	1.3
133.10144	20.3
135.08060	1.3
135.11713	1.8
137.05968	4.0
139.07549	1.9
149.09631	3.7
151.03931	1.5
151.07561	1.9
151.11224	6.8
153.05507	2.9
161.05923	2.1
161.09613	4.6
167.07182	2.1
167.10689	11.9
178.12111	1.3
179.07040	3.6
179.10681	18.6
189.12427	1.4
197.11742	100.0
198.12013	1.8
200.13960	1.5
297.11221	1.3
313.10803	1.6
359.11163	2.1
359.15359	2.2
359.30835	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	359.1492
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
53.03944	2.2
65.03941	6.6
69.38468	1.7
69.77840	9.4
75.13969	1.6
75.61454	1.5
82.04189	1.8
83.05074	1.7
85.02901	2.4
91.05482	2.9
93.03423	3.8
107.04952	7.7
109.06635	1.6
110.03662	5.7
111.04454	5.5
115.05446	2.5
121.02893	24.5
121.06545	3.7
123.04411	3.5
125.05998	5.0
129.06953	2.0
131.04919	2.0
133.02881	1.8
133.44972	1.7
135.08075	4.1
137.06021	2.0
138.03143	1.9
139.03868	2.4
144.05742	2.9
145.06514	2.7
147.04558	2.1
147.08118	3.2
149.02336	5.9
151.03969	2.2
152.06316	2.3
153.05498	12.9
153.06923	2.4
155.20009	1.8
159.08064	6.7
161.06018	3.7
161.09630	3.3
162.06839	2.4
163.04105	1.8
165.05775	1.9
165.07019	10.1
166.07817	2.4
167.07175	3.5
167.08539	3.3
169.06549	3.3
177.07036	2.3
178.07808	4.3
179.08510	3.1
181.04970	21.1
181.06497	5.7
182.07297	4.5
183.08076	4.2
187.07608	2.2
191.08574	2.4
193.06581	2.6
194.07288	4.0
195.08049	12.3
196.08835	3.2
197.05981	7.5
197.09624	4.9
202.07950	2.1
203.08649	1.9
206.07297	4.1
207.08084	3.4
208.08739	2.4
209.06067	4.9
209.09676	3.5
210.06787	13.0
210.10361	2.2
211.07541	10.5
211.11110	2.5
212.08406	7.6
213.09042	2.4
219.07881	3.0
220.08891	2.8
221.06001	3.8
221.09583	15.5
222.06738	4.1
222.10307	2.1
223.07603	18.5
224.08366	6.4
225.05525	4.4
225.09145	10.5
227.07077	7.3
227.10730	6.0
234.06836	3.3
235.07527	4.1
237.05634	2.3
237.09125	10.7
238.06282	9.2
238.09923	9.4
239.07085	11.6
239.10674	4.7
240.07834	31.3
241.08580	5.7
242.05843	2.3
248.08226	1.9
249.09142	7.7
251.07095	8.5
251.10616	2.4
252.07870	7.2
253.08641	57.1
253.12277	18.6
254.09436	9.8
255.06586	6.1
255.10269	15.4
257.08075	10.3
265.08643	7.6
266.09360	7.4
267.06720	3.0
267.10181	7.3
268.07333	11.3
269.08060	15.8
270.08868	3.9
277.08704	2.2
279.06561	1.7
281.08109	13.5
281.11783	19.1
282.08945	4.8
283.06186	4.8
283.09689	24.0
284.10449	8.0
285.07632	2.2
285.11340	4.6
285.14706	3.6
295.09674	6.6
297.07611	5.9
297.11169	4.7
298.08365	8.7
298.12091	4.8
299.09592	3.5
299.12799	23.7
300.09909	14.1
301.10898	2.1
309.11273	14.3
310.11945	6.4
313.10748	73.5
313.14407	49.0
323.19604	2.1
326.11526	6.3
327.12292	100.0
328.12946	7.0
331.15442	20.6
341.13849	42.9
359.14926	89.1
360.15317	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1491
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01863	1.5
55.05523	1.4
57.03432	1.1
65.03934	4.5
67.05473	1.4
69.07057	1.3
69.43143	9.3
78.85770	1.3
79.05483	3.2
81.07054	3.2
82.04187	1.6
83.04969	1.6
83.08630	2.0
85.02921	1.9
91.05478	5.6
91.12954	1.1
93.03394	2.6
93.07056	2.1
95.01318	2.0
95.04970	2.1
95.08594	1.9
97.06523	1.5
102.00721	1.5
103.05517	1.8
105.07082	3.0
107.04955	6.1
110.03658	5.3
111.04440	3.0
115.05489	1.5
121.02878	11.4
121.06505	3.3
123.04449	3.6
125.05977	9.2
128.06236	1.6
129.06966	2.5
131.04948	1.9
131.08539	1.8
133.09235	1.2
133.10179	1.7
135.04468	2.1
135.08076	2.9
137.05933	6.7
139.03862	1.6
141.07080	1.5
144.05716	2.9
149.02406	4.0
149.05981	2.4
151.03857	1.7
151.07581	1.9
152.06227	2.6
153.05505	6.5
153.06953	2.9
154.07727	1.7
157.06541	2.0
159.08141	4.3
161.06023	4.1
161.09616	2.5
162.06763	1.6
163.03876	1.6
165.05650	2.2
165.07018	8.3
166.07690	1.7
167.07077	3.9
167.08606	4.3
169.06490	1.7
173.06021	2.6
177.06976	1.6
178.07828	3.9
179.08580	3.8
180.05722	1.7
181.04965	14.8
181.06529	7.3
182.07263	4.1
183.08052	4.1
189.07063	1.3
191.08504	3.7
193.06461	3.4
193.10150	1.6
194.07306	3.6
195.08061	10.3
197.06050	6.4
197.09607	3.1
199.07547	1.6
202.07747	1.5
203.08647	3.0
205.06516	4.0
206.07187	2.5
207.08069	3.7
209.05998	3.3
209.09659	4.2
210.06770	9.8
210.10295	1.9
211.07541	9.0
212.08359	5.3
213.05602	1.5
213.09120	2.9
219.08092	3.0
221.06087	2.6
221.09633	10.5
222.06787	1.7
222.10442	1.6
223.07564	17.6
223.11165	2.8
224.08334	7.9
225.05592	3.3
225.09116	10.8
226.09818	1.4
227.07033	6.6
227.10786	2.4
233.05782	1.7
234.06734	4.4
235.07582	3.5
236.08482	1.7
237.05507	3.1
237.09158	10.2
238.06255	6.4
238.09836	6.4
239.07060	12.0
239.10689	3.7
240.07831	17.2
241.08591	5.6
242.05798	2.0
249.09120	11.6
250.09921	3.6
251.07031	10.2
251.10646	1.8
252.07857	5.7
253.08638	32.0
253.12263	9.8
254.09439	6.2
255.06606	4.4
255.10130	12.4
257.08063	7.0
257.11868	1.6
259.10013	1.4
265.08578	7.8
266.09363	7.2
267.06589	3.5
267.10190	9.8
268.07324	5.3
269.08112	12.8
270.08948	5.1
275.07300	1.4
277.08600	4.0
279.06622	1.5
281.08182	8.7
281.11798	11.2
282.08893	3.5
282.12210	1.5
283.06363	2.7
283.09689	16.7
284.10431	3.3
285.07602	6.1
285.10910	2.6
295.09631	8.2
297.07663	5.0
297.11011	2.6
298.08374	7.8
298.11639	2.0
299.09515	2.5
299.12659	12.9
300.09949	17.4
309.11206	9.1
310.12064	1.8
313.10718	52.6
313.14374	35.1
326.11569	5.4
327.12280	50.7
328.12750	2.2
331.15347	12.2
341.10031	1.6
341.13879	28.3
359.14929	100.0
360.15149	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01882	0.8
56.03471	0.4
56.96583	0.6
57.03436	0.7
61.02933	0.7
62.22738	0.4
65.03940	1.5
69.03439	5.0
70.03429	1.8
70.06590	0.9
71.04985	0.4
73.02924	0.9
81.03421	5.1
84.08145	0.9
85.02906	6.1
86.09732	0.6
87.00821	2.4
91.05463	0.6
91.79215	0.4
92.04987	2.4
97.02905	3.0
97.07666	0.6
97.30817	0.5
99.04452	1.6
101.00827	0.5
105.01875	1.0
109.02900	3.5
110.06052	100.0
111.06425	1.0
112.07602	1.6
119.04936	0.8
119.10223	0.4
123.06831	0.7
126.08566	0.5
127.03934	4.0
128.04300	0.5
130.70782	0.4
131.01920	0.5
134.05943	0.6
137.05997	1.1
138.06317	0.5
145.04961	0.6
147.04446	1.9
148.07582	2.2
152.07126	0.8
153.01910	0.5
158.06627	3.7
159.02924	1.5
160.07652	1.6
169.03555	1.4
170.06656	1.2
176.07678	1.3
178.08653	3.5
187.04555	0.8
188.07735	3.3
196.09723	6.3
207.56081	0.5
212.07689	2.5
215.04030	0.6
226.09447	0.6
230.08829	0.8
231.04913	0.5
256.06812	0.7
261.04572	1.2
262.04883	1.0
291.82083	0.4
296.09845	0.5
316.08893	1.5
330.69806	0.5
333.08643	0.7
358.10965	4.3
358.15097	4.6
358.23557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1181
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.01869	0.5
66.04733	0.3
69.32840	2.0
70.06576	0.7
79.05490	0.4
81.07036	0.4
84.04502	0.3
84.08144	0.4
85.02903	0.7
91.05442	1.2
93.07040	0.3
94.04179	1.5
95.00849	0.2
95.01341	2.6
95.04951	0.5
95.09181	0.2
97.02929	0.4
103.05466	0.8
105.31371	0.3
107.04931	0.3
110.06040	0.4
113.02314	0.3
114.63313	0.3
119.04945	1.7
122.03667	4.5
123.04446	2.1
130.05038	0.4
131.04994	1.2
137.05984	100.0
138.06314	1.2
141.01851	0.9
147.04446	1.2
147.16045	0.2
149.06009	0.3
151.07530	0.9
163.07542	2.2
165.05495	0.6
165.67622	0.2
167.07101	0.3
177.04109	0.3
177.05505	0.6
181.04962	0.9
181.08615	2.2
195.11290	0.6
205.04948	2.2
263.50314	0.3
308.78116	0.3
339.08673	0.3
357.09634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2023
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
52.25291	1.2
55.05497	3.8
56.05024	5.5
63.77874	1.3
67.05511	10.9
68.68118	1.4
69.03416	2.5
69.07051	4.8
70.06596	1.5
71.04987	3.8
71.51318	2.2
79.05497	10.2
81.03398	2.3
81.06596	1.7
81.07059	34.1
83.04977	2.5
83.06101	28.8
83.08604	2.2
84.04507	100.0
84.08126	1.7
85.02900	3.7
85.06573	2.9
86.11052	1.4
91.05466	10.1
91.82993	1.3
93.07043	11.0
95.04971	2.9
95.08610	11.4
97.02868	1.6
97.06477	1.4
97.10146	1.4
101.07142	14.4
102.05544	13.9
103.05470	2.0
105.07037	16.0
107.04935	4.2
107.08611	10.5
109.06491	3.2
109.10140	3.3
113.09617	2.2
117.06958	1.4
119.04929	1.9
119.08590	12.0
121.06493	3.1
121.10157	13.4
123.04450	7.9
123.08102	1.9
123.11707	11.3
129.06609	39.7
130.05003	71.4
131.08539	2.0
133.10101	2.9
135.11670	3.1
136.66545	1.3
137.05977	8.1
137.13319	1.6
139.03891	5.4
145.10091	2.3
147.04375	5.1
147.07654	28.3
147.11687	27.8
151.03934	6.3
153.05453	2.4
156.55313	1.3
157.06487	1.2
161.06009	2.9
161.13263	2.2
163.03998	2.9
163.07507	2.9
163.11034	1.3
165.05473	2.8
165.12752	17.3
167.06995	4.4
173.13258	1.7
175.07558	3.5
176.06076	1.4
177.05420	1.8
179.03300	1.6
182.15396	5.0
183.13814	2.3
193.12146	2.1
195.03119	4.2
203.07007	2.6
205.06900	1.6
205.08609	9.6
210.14885	17.2
219.07977	1.5
228.15919	12.8
229.14290	3.1
235.07521	1.7
247.07408	2.0
249.08647	1.2
253.08582	1.4
276.15967	1.7
293.18515	4.3
294.16965	4.6
295.09326	1.8
297.11365	2.3
303.23343	2.4
307.09518	1.7
313.10410	1.5
321.18198	12.9
325.10669	1.8
327.12195	2.1
339.12308	2.5
339.19104	2.1
340.17319	1.7
344.47357	1.4
357.09534	2.7
357.13324	15.5
357.18832	31.2
358.19424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	3.4
70.34239	7.5
84.08121	3.3
88.52639	1.8
91.17763	2.1
114.76065	2.1
122.97713	2.0
134.99873	2.3
140.33351	2.1
140.98802	3.4
158.99892	15.4
165.00705	2.0
173.48904	2.1
177.00958	57.3
177.02435	4.2
178.01021	4.2
182.99892	1.9
199.03038	4.9
201.00937	5.6
206.61885	2.3
209.01411	6.7
217.04086	62.8
218.04308	3.4
219.02046	43.5
227.02502	24.7
228.02538	2.6
229.00502	5.0
243.02011	12.5
244.99904	3.8
245.03592	93.5
246.03760	4.5
247.01509	7.8
247.53607	2.6
253.00386	2.4
261.03107	15.9
271.01498	60.8
287.77316	2.2
289.02539	35.6
289.05539	3.1
296.99368	5.7
315.00455	53.5
316.00815	3.3
333.01532	100.0
334.01758	3.4
357.24756	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	355.248
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.03955	2.3
55.01888	6.3
55.05520	16.7
60.03161	2.4
63.91525	3.0
67.05506	49.0
69.03429	11.3
69.07072	100.0
69.26640	25.3
71.04985	5.2
79.05491	47.7
81.03432	4.1
81.07060	99.6
83.04964	5.0
83.08625	7.2
85.06545	13.5
91.05473	37.1
91.05947	3.4
93.07050	85.3
95.04968	11.2
95.08611	79.9
97.06544	41.3
97.10169	5.3
99.08102	12.3
101.63005	2.6
103.03889	2.5
105.07033	79.0
107.08595	52.4
109.06506	12.3
109.10159	32.6
111.08081	22.4
113.09663	3.7
115.07584	11.1
117.07014	10.9
119.08591	37.8
121.06539	5.6
121.10154	40.7
123.08063	12.9
123.11720	13.4
125.09662	9.4
129.07022	4.7
131.05046	2.6
131.08556	16.3
131.76530	2.6
133.10138	22.3
135.08118	4.2
135.11685	17.0
137.05994	3.0
137.09645	7.3
137.13335	3.5
139.11165	27.8
142.07756	3.1
143.08571	14.9
145.10170	15.8
147.08006	8.4
147.11702	37.0
149.09657	6.9
149.13286	22.0
151.11287	4.6
157.10165	10.8
159.11703	14.8
161.13292	10.7
163.11272	3.7
163.14864	6.0
165.09145	4.5
165.12767	7.2
171.11716	5.0
173.09636	3.5
173.13278	12.1
175.11206	6.2
175.14850	11.9
177.16373	3.8
178.37953	2.7
179.14395	3.1
185.13237	10.3
187.14783	16.6
189.16412	5.4
191.14377	3.1
193.15979	4.2
199.14825	8.9
203.14297	10.0
205.15923	4.3
221.15344	14.9
223.16748	2.7
229.19536	6.4
239.18071	2.9
255.21109	7.8
273.22226	9.8
279.23459	2.6
281.08337	2.8
283.20633	7.1
291.23163	24.9
301.21640	38.6
309.24283	3.5
319.22681	44.6
337.23691	16.1
355.11880	3.4
355.24811	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	355.248
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
50.30771	2.1
53.03933	6.0
53.63807	2.0
54.43737	2.0
55.01859	6.5
55.05516	26.4
57.03421	6.2
57.07067	6.0
67.05510	54.3
69.03424	11.8
69.07072	90.8
71.04979	5.0
73.04723	2.8
73.24760	2.3
74.63622	2.3
75.48000	2.0
79.05493	51.2
80.24419	2.0
81.03407	4.8
81.07060	100.0
83.04977	5.3
83.08597	8.9
85.06552	32.2
85.14999	2.0
91.05475	39.9
93.07045	75.2
95.04988	13.4
95.08612	66.2
97.06542	26.4
97.10162	3.6
99.08095	28.4
103.05470	2.3
105.07035	55.9
107.04942	2.7
107.08604	57.5
109.06532	10.3
109.10155	26.5
111.08067	12.1
113.09628	6.0
115.07535	5.2
117.07010	8.5
119.08595	34.3
121.02839	2.8
121.06506	5.0
121.10154	29.7
123.04414	3.1
123.08054	8.5
123.11729	3.5
125.09619	15.4
127.07540	2.8
129.06961	5.0
131.08546	18.9
133.10117	22.7
135.08058	4.1
135.11699	13.5
137.06049	3.6
137.09572	5.6
139.03876	3.3
139.11208	13.6
142.50089	2.1
143.08530	5.7
145.10153	14.9
147.08006	4.7
147.11702	33.8
149.09657	8.7
149.13312	16.3
151.11136	3.8
157.10104	7.8
159.11649	9.0
161.09602	5.1
161.13269	13.0
163.11163	3.4
163.14799	5.3
165.09143	6.4
165.12766	14.6
171.11729	4.4
173.09586	2.8
173.13217	8.0
175.11179	6.4
175.14886	11.4
177.16431	3.3
179.14278	3.6
185.13271	7.5
187.14809	7.4
189.16460	5.7
193.12317	2.9
193.15814	3.1
197.13199	3.3
199.14728	4.5
203.14273	7.6
205.15884	8.2
221.15402	5.9
229.19427	5.2
255.21120	5.7
273.22073	9.1
283.20609	5.5
291.23224	10.7
301.21680	29.9
319.22757	23.5
337.18588	3.5
337.23676	25.1
355.12131	3.8
355.24991	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	355.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90937	0.8
66.84705	0.7
67.05496	0.9
69.77970	3.4
71.96893	0.7
73.04758	6.7
76.22330	0.7
82.06582	0.9
85.02912	1.0
91.05820	9.5
98.97555	1.3
110.06052	4.7
110.83195	0.7
111.04453	0.9
136.07582	8.5
138.05516	1.0
161.96970	0.9
163.03862	1.2
164.07080	13.2
177.01628	1.1
181.61955	0.7
182.08121	9.4
185.04149	3.5
192.03946	13.5
193.04758	9.6
198.49489	0.8
202.18803	0.7
229.61748	0.8
237.02602	1.0
257.04428	0.7
268.97964	2.5
285.00912	6.2
324.08325	2.7
334.51984	1.0
355.10080	100.0
356.10406	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05523	9.9
57.05802	2.5
57.07087	13.3
58.06602	14.2
60.04514	5.8
67.05510	8.6
69.07071	21.2
70.02949	3.5
70.06578	6.1
71.05016	1.9
71.08649	8.4
71.42607	3.2
72.04504	2.2
73.04735	5.2
74.06091	2.4
79.05505	2.7
81.07064	12.1
83.04967	1.9
83.08625	12.1
84.08125	5.5
85.10178	4.8
86.06058	5.0
87.06861	1.8
91.05780	2.4
93.07032	1.8
95.08607	14.8
97.10184	9.4
109.10155	9.5
111.11699	4.8
123.11687	4.7
126.09101	1.6
137.13219	1.9
191.93831	1.7
198.22269	2.3
268.97891	2.6
285.01004	4.2
294.31348	2.2
306.31647	4.3
307.29941	3.2
308.32968	3.7
315.51181	1.6
326.34164	5.8
336.32547	15.1
354.33664	100.0
355.07053	4.9
355.33893	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	354.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.7
55.01880	0.5
57.03458	1.2
60.54227	0.5
61.02946	1.6
67.05523	0.4
69.03435	4.5
69.07105	0.4
70.06602	0.7
70.63642	1.0
71.05003	0.4
73.02929	0.7
73.04784	0.5
81.03420	2.7
84.04525	0.4
84.08176	0.6
85.02917	9.4
87.04498	1.1
88.58571	0.3
91.03982	0.5
91.05505	1.4
94.06580	1.2
95.04978	0.4
97.02898	4.3
99.04480	0.7
103.72666	0.4
109.02917	0.9
110.06122	0.4
115.07615	0.9
118.06562	2.3
119.04984	0.8
121.06567	0.5
122.06070	1.6
127.03954	1.3
132.05569	0.4
145.05029	1.1
146.06024	4.1
147.04443	1.0
148.04762	1.1
150.05475	0.8
160.05080	89.5
161.05458	1.0
164.07050	2.0
165.05545	0.4
174.05519	29.6
175.03966	1.3
176.07066	0.4
177.05519	0.5
192.07773	100.0
193.04996	1.3
193.08096	1.2
207.06624	1.3
354.12146	15.0
354.19199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1186
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
50.14503	0.3
51.02384	0.3
52.42806	0.3
53.03941	0.9
55.01864	0.5
55.05507	0.4
57.03443	0.8
61.02919	1.1
62.64199	0.3
65.03939	0.4
67.05500	0.8
69.03434	3.6
69.07063	0.4
71.04985	0.4
71.50716	0.5
73.02921	1.2
77.03889	0.3
81.03418	1.3
85.02911	8.3
87.04488	0.9
91.03956	0.6
91.05486	3.9
94.06577	3.8
95.04951	0.9
97.02901	2.9
99.04476	0.5
105.03439	0.6
109.02883	1.1
115.07558	1.3
115.64384	0.4
117.05763	0.9
118.06556	7.0
119.04948	1.3
120.08155	0.4
122.06036	5.1
127.03954	1.8
133.06349	0.4
134.06041	1.0
136.07632	0.6
137.05992	0.5
145.04970	1.3
146.06018	17.7
147.04431	1.9
147.06795	1.0
148.04744	1.3
148.07556	0.3
150.05550	1.3
157.20549	0.3
160.05078	41.7
162.05516	1.1
164.07097	7.9
174.05519	100.0
175.03967	0.5
175.05981	1.7
176.07106	0.8
192.06522	38.9
192.07755	34.5
193.04964	1.2
196.17055	0.5
207.06569	1.3
286.17609	0.4
336.10764	1.1
338.77554	0.3
354.11877	44.2
355.12616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.9
55.05508	40.2
57.07080	27.5
67.05507	72.5
69.07069	46.0
71.04963	6.3
71.08614	17.2
71.51368	4.8
78.83897	4.0
79.05503	43.8
81.07063	100.0
83.08617	37.4
85.10208	6.8
91.05450	9.8
93.07045	45.5
95.08609	88.7
97.06536	8.2
97.10176	30.0
105.07047	9.2
107.08605	30.3
109.10168	43.5
111.11707	12.2
117.07000	5.3
119.08598	7.3
121.10157	66.5
123.11712	24.4
125.06012	5.3
129.05511	8.4
131.08586	8.1
135.11696	40.3
137.13242	10.1
140.70224	4.4
144.08081	25.7
145.10222	4.9
147.11734	5.9
149.13252	16.9
163.14836	6.1
164.91272	4.2
172.32542	4.4
173.13286	6.5
179.17896	5.8
193.19501	4.9
275.27374	49.6
293.28418	42.6
299.27386	10.0
317.28433	5.3
335.29453	10.8
345.19083	5.4
353.18564	17.5
353.30676	35.6
368.76587	4.8
368.82141	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	354.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51904	1.1
56.96561	1.5
57.03423	1.3
69.03427	11.5
69.35565	2.5
69.35979	7.3
70.06565	1.3
73.02916	1.5
73.04777	1.9
81.03399	1.7
84.08125	4.1
85.02908	9.5
91.05840	1.5
97.02905	2.3
98.97596	2.0
112.07616	63.1
118.05310	1.1
119.01891	1.2
119.04981	1.3
127.03915	4.5
130.08672	2.8
136.07646	1.9
140.05579	6.2
143.01913	3.2
145.04961	1.8
153.06651	1.2
155.01868	1.6
158.06650	37.2
161.02991	1.5
166.31136	1.2
170.06653	8.3
173.03038	1.9
176.07729	12.6
183.05011	1.6
185.02963	3.3
188.07715	23.8
197.02876	1.4
198.06102	6.8
199.04503	3.0
203.03998	2.3
212.07689	4.8
216.07124	5.7
224.07684	2.4
230.08737	3.0
236.11311	8.4
245.04932	5.9
252.10873	2.8
254.12479	5.8
261.04651	2.1
262.09195	7.7
263.06146	2.3
264.10873	10.4
266.08624	1.8
266.12363	4.1
280.10281	2.9
282.11902	5.7
292.10287	4.3
308.09821	25.5
308.13367	1.6
310.11389	4.5
326.10748	6.0
334.55090	1.2
336.09473	1.8
354.10364	100.0
355.10641	2.3
372.11493	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	4.8
55.05519	22.3
55.09675	3.1
57.03442	6.1
57.07081	5.7
67.05513	99.6
68.05834	5.1
69.07066	12.2
71.04993	4.3
71.08627	8.7
71.51312	2.6
71.51728	5.1
79.05499	61.7
81.06591	5.5
81.07064	100.0
83.05008	3.7
83.08630	9.3
85.06542	5.1
91.05492	31.8
93.07052	72.2
95.04974	8.5
95.08617	70.6
97.06541	4.2
97.10191	6.9
99.08088	7.1
105.07037	20.8
107.08600	51.8
109.10160	34.6
111.08061	4.3
113.09631	3.5
117.07038	13.0
117.07856	3.1
119.08575	20.7
119.19740	2.7
121.10159	30.3
123.11726	14.6
131.08569	24.2
133.10178	18.2
135.11707	24.5
137.09619	4.1
137.13251	6.9
144.08107	11.9
145.10103	18.5
147.11702	16.6
149.13231	16.3
156.74306	4.0
157.10075	5.4
159.11734	16.2
161.13274	11.8
163.11215	3.8
163.14880	16.0
173.13321	14.8
177.16397	10.4
187.14915	8.3
201.16411	3.5
233.22644	9.8
243.21130	25.9
261.22189	65.3
279.22974	4.1
295.55872	3.2
335.26065	7.4
353.25766	10.3
365.27130	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.05519	12.4
57.03439	6.5
57.07074	3.3
63.48431	1.0
65.03938	2.4
67.05508	96.2
69.07069	13.4
71.04982	2.6
75.04485	2.2
79.05495	41.4
81.07060	100.0
83.04959	2.2
83.08624	6.2
85.06530	4.0
91.05482	18.5
93.07051	52.5
95.04974	2.9
95.08613	74.6
97.06516	3.7
97.10159	3.3
105.07045	18.9
107.08600	35.4
109.06470	1.7
109.10159	35.9
110.75346	1.2
113.09653	1.8
117.07027	7.2
119.08570	14.1
121.10146	27.5
123.08060	2.4
123.11709	19.0
125.09586	1.9
127.11217	1.6
130.75452	1.3
131.08574	19.9
133.10146	13.8
135.11697	25.7
137.09676	1.3
137.13249	7.7
139.11110	1.2
145.10132	15.9
147.11699	8.7
149.09615	1.2
149.13255	16.8
151.14799	2.9
159.11711	12.1
161.13277	8.3
163.14827	11.5
171.11684	1.4
173.13286	14.9
175.14824	3.8
177.16397	4.2
179.14270	1.7
187.14812	10.0
191.14357	2.5
201.16306	2.7
215.17850	1.3
228.93050	1.5
233.22644	4.7
243.21104	17.8
261.22165	82.3
262.22546	1.3
279.23154	5.3
335.26056	8.5
353.26941	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	3.7
55.05526	13.0
57.03438	4.9
57.07073	4.7
65.03934	3.8
67.05510	90.5
69.07069	13.7
69.76487	10.8
71.04995	3.2
71.08624	3.0
79.05074	2.9
79.05502	47.6
81.07064	100.0
83.04961	2.0
83.08616	7.8
85.06572	2.4
91.05488	17.4
93.06492	3.1
93.07056	51.1
95.04947	2.8
95.08619	69.6
97.06535	2.7
97.10180	3.9
98.21523	2.4
99.08138	2.2
105.07037	18.2
107.08607	36.7
109.10175	32.5
110.02369	2.0
117.07007	8.7
119.08604	12.9
121.10155	30.0
123.08041	2.2
123.11729	18.8
129.07019	1.9
131.08572	20.8
133.10139	13.2
135.11711	20.9
137.09572	2.9
137.13268	6.0
144.08101	8.3
145.10110	14.7
147.11674	8.5
149.13268	16.1
151.14845	4.4
159.11731	10.2
161.13205	10.2
163.14796	8.3
173.13303	13.6
175.14856	3.8
177.12668	3.0
187.14813	7.6
201.16360	4.2
233.22467	2.2
243.21083	19.8
261.22171	80.1
279.23193	5.0
335.25870	9.2
353.18726	2.6
353.27179	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	7.8
55.01876	9.2
55.05515	54.5
57.03448	24.1
57.07076	9.6
58.81202	3.0
62.63635	2.8
65.03924	3.3
67.05511	100.0
69.03445	3.9
69.07072	55.8
71.04996	5.2
71.08636	64.4
71.51109	4.9
79.05502	45.5
81.07064	99.9
83.04989	8.0
83.08610	21.8
85.06550	6.5
86.29550	2.6
91.05482	30.3
93.07047	54.7
95.04992	4.5
95.08612	82.9
97.06548	11.4
97.10212	22.0
99.08099	47.9
103.04073	2.7
105.07040	21.9
107.08604	32.9
109.02934	3.2
109.06554	4.1
109.10178	47.6
111.08090	8.0
111.11748	3.6
117.07043	6.4
119.08617	18.3
121.06515	3.0
121.10154	29.5
123.08104	3.4
123.11708	15.6
125.09651	14.8
131.08626	13.6
133.10170	7.1
135.11705	27.0
137.13281	9.4
143.08662	5.0
144.08084	18.2
145.10121	13.4
147.11703	26.6
149.13316	12.2
151.14771	3.8
153.12741	9.8
153.64108	3.3
159.11609	6.6
161.13255	8.4
163.14854	16.0
165.12755	9.0
171.11713	3.5
173.11827	5.1
173.13283	11.9
177.16400	4.1
181.15903	4.6
187.14845	4.7
189.11211	8.3
233.22496	3.9
243.21106	18.1
261.22113	42.2
279.23175	30.2
307.20462	3.0
335.26688	3.2
339.55637	2.7
353.18674	8.6
353.27002	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	3.2
55.05515	13.6
57.03435	7.4
57.07067	4.7
59.04964	1.3
60.16057	1.1
65.03933	3.7
67.05510	92.5
69.07083	11.5
69.23875	10.8
69.24281	2.5
70.65408	1.1
71.05002	1.6
71.08627	2.9
72.57832	1.2
74.93436	1.3
79.05495	39.8
81.07063	100.0
83.04988	1.8
83.08617	6.3
85.06523	2.0
91.04974	1.8
91.05486	20.9
93.07052	52.9
93.84879	1.2
95.04951	2.3
95.08614	75.2
97.06531	2.9
97.10179	2.0
99.08082	2.0
105.04481	1.4
105.07031	14.1
107.08601	32.1
109.06492	2.1
109.10164	35.5
111.08089	2.1
113.09691	1.4
115.86577	1.2
117.07002	8.4
119.08581	12.8
121.09342	1.8
121.10161	29.2
123.11719	20.7
125.09664	1.3
129.82806	1.2
131.08577	20.2
133.10139	12.8
135.11696	20.1
137.13237	7.8
139.11186	1.8
144.08102	1.5
145.10161	12.8
147.11711	9.3
149.09613	1.5
149.13293	19.2
151.11206	1.9
151.14815	2.5
153.12726	1.8
157.65089	1.1
159.11720	14.6
160.69601	1.1
161.13260	9.6
163.11244	1.2
163.14818	11.3
165.12790	1.2
168.22696	1.2
173.13272	16.4
175.14867	4.3
177.16446	3.7
179.14325	2.0
187.14847	9.8
201.16359	3.2
205.15910	1.4
233.22659	4.2
243.21089	22.3
250.22984	1.2
261.22165	91.9
262.22415	2.0
279.23212	6.3
335.25839	12.1
353.26981	22.2
359.07364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.05518	11.7
57.03424	3.9
57.07072	5.3
65.03944	4.4
67.05511	99.8
69.07069	15.1
69.98344	6.1
71.08641	5.3
75.04469	2.4
79.05071	3.8
79.05499	54.4
81.06587	5.4
81.07061	100.0
83.08623	9.1
88.97685	2.5
91.05486	31.7
93.06483	5.1
93.07049	80.6
95.08617	70.2
95.09236	3.8
97.06547	2.2
99.08115	4.0
105.07029	23.6
107.08604	43.2
109.10162	27.4
113.09653	2.9
117.07022	11.4
119.08572	11.5
121.10159	35.5
123.11725	12.1
125.09682	2.4
128.35649	2.2
131.08569	29.9
133.10158	12.4
135.11696	26.4
137.13254	7.1
145.10129	20.8
147.11667	11.1
149.13258	20.5
151.14900	2.6
159.11731	10.4
161.13297	7.0
163.14851	17.1
173.13319	15.4
175.14874	4.1
177.12694	3.1
177.16394	6.7
185.66949	2.5
187.14854	10.4
205.15877	3.0
223.68628	2.6
233.22609	7.1
243.21109	25.9
261.22168	75.3
331.93930	2.4
335.25845	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05510	14.8
57.03430	3.5
57.07064	4.4
65.03951	3.0
67.05508	95.7
69.07071	14.4
70.29704	6.2
71.04989	2.9
71.08644	2.6
79.05499	56.7
80.37674	1.6
81.07062	97.3
83.08612	6.1
85.06567	2.7
91.05485	23.1
93.07050	62.2
93.07644	3.2
94.63023	1.5
95.05000	1.8
95.08617	70.2
97.06519	3.5
97.10157	2.9
99.08115	3.2
105.07039	18.7
107.08595	39.0
109.06518	1.6
109.10169	37.7
111.08122	1.9
117.07013	12.9
119.08576	13.2
121.10150	33.5
123.11708	22.5
131.08574	21.8
133.10135	16.0
135.11719	29.5
137.13266	6.7
143.08646	1.5
144.08093	4.4
145.10149	16.8
147.11703	11.6
149.13284	19.6
151.14830	2.2
159.11694	15.5
161.13283	8.9
163.14844	11.9
165.12727	2.4
167.14528	1.9
173.13287	16.0
175.14835	2.7
177.16408	6.6
187.14879	10.6
191.14455	1.7
191.17928	1.7
201.16522	3.1
205.15950	2.6
215.17845	1.9
233.22707	6.3
243.21115	22.2
261.22162	100.0
271.36496	2.0
279.23230	4.2
291.23358	2.2
319.69797	1.6
335.25858	7.1
353.26917	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	4.1
55.05510	15.9
57.03426	4.6
57.07063	5.6
59.66674	1.3
63.03711	1.4
65.03935	2.5
67.05507	94.0
69.07079	11.2
71.04967	2.3
71.08622	3.1
73.97432	1.4
77.03922	1.9
79.05498	52.5
81.07058	100.0
83.04963	1.9
83.08626	9.6
85.06549	3.9
91.05480	21.5
93.07046	69.2
93.07632	4.0
95.04960	2.6
95.08611	79.8
97.06523	3.3
97.10190	3.7
98.20756	4.8
99.08083	5.9
105.07040	19.3
107.08593	35.5
109.10155	29.6
111.08080	2.3
113.09636	4.2
117.07021	9.9
119.08604	15.0
121.10146	33.1
123.08133	2.1
123.11710	15.3
125.09623	2.3
125.47684	1.7
131.08569	24.1
133.10130	12.4
135.11696	26.3
137.09607	1.9
137.13260	7.3
145.10124	14.5
147.11687	14.0
149.13266	24.5
151.14827	4.1
159.11752	14.6
161.13266	13.4
163.14813	20.1
165.12717	1.7
170.65735	1.6
173.13266	12.7
175.14850	4.9
177.12807	2.2
177.16280	7.2
187.14883	9.9
191.14272	3.3
201.16414	4.1
205.15860	1.9
229.11067	1.7
233.22713	4.4
243.21094	36.3
261.22144	83.7
279.23358	3.7
335.25668	9.1
353.26816	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	25.2
64.29204	19.2
64.48924	20.4
65.23639	18.2
67.05505	38.7
69.07072	37.0
70.81789	49.9
77.53904	17.3
81.07066	40.3
83.08588	39.4
91.05474	53.3
93.07068	48.3
95.08614	54.6
97.73962	21.8
98.74828	18.0
105.07031	28.7
107.08620	31.3
109.10165	31.2
119.08583	74.9
120.04216	21.8
121.10142	37.7
131.08580	36.5
133.10120	37.0
135.08167	18.8
137.05994	64.9
144.08076	50.0
145.10153	42.6
157.10065	18.6
176.20351	18.6
177.16374	33.5
183.11713	29.4
189.16451	44.8
353.18521	38.3
353.24759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
55.02998	1.3
55.05499	2.2
58.64845	0.8
67.05502	2.6
69.03432	4.0
69.07072	1.2
69.32980	1.5
69.33379	7.1
70.06200	1.4
70.06593	20.3
71.04979	1.3
72.08159	26.8
79.05498	3.4
81.03442	1.2
81.07058	3.5
83.04995	1.7
83.08633	2.3
84.08128	2.7
85.02911	1.4
86.09717	1.1
88.55022	1.0
91.05486	5.9
93.07043	2.5
93.91513	0.9
95.04943	1.5
95.08632	2.9
96.08128	1.1
97.02891	1.2
97.06516	1.5
97.07654	14.5
98.09702	1.9
105.07024	1.6
107.04961	1.4
107.08604	3.4
108.08112	1.3
109.10176	1.5
110.06061	0.9
110.09693	1.2
111.08113	1.3
112.08739	10.3
114.10300	100.0
117.07030	1.2
119.04954	4.9
119.08597	1.6
120.08080	1.1
121.06538	1.5
121.10138	2.0
122.06071	1.1
123.04426	1.6
123.08085	1.5
124.07548	1.2
125.06075	1.1
127.03915	1.4
129.07132	1.1
131.08650	1.2
133.10165	1.9
134.07144	1.3
134.09648	2.1
136.07590	1.7
138.09186	1.2
142.05013	1.5
147.04408	17.2
147.11696	1.4
148.07581	1.2
149.13252	1.3
150.05472	1.1
150.12677	1.0
152.14336	8.8
159.09145	1.1
161.09665	1.2
182.08247	1.0
189.12749	1.7
194.16641	1.0
198.18529	1.7
201.10260	1.8
206.19099	2.7
211.19240	7.6
212.07033	1.7
212.16428	1.0
229.09804	1.8
232.13263	1.3
232.20625	10.0
249.23264	3.2
250.21698	4.4
257.09186	3.2
265.23895	27.0
272.09128	1.2
274.22781	1.8
275.10236	3.1
291.25467	7.0
293.11578	1.1
299.10239	1.1
309.18356	1.3
309.26489	4.3
317.11191	1.2
335.12341	7.6
353.13318	2.4
353.17142	3.7
353.20844	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	353.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94650	28.2
69.58568	27.5
70.81020	52.5
76.37192	25.7
80.58683	21.9
85.02892	32.3
91.05460	25.8
95.04961	26.5
119.01998	25.5
143.01869	40.5
147.04440	61.9
203.05853	30.6
291.07687	40.0
353.08377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
71.35374	3.0
71.35699	2.6
76.39504	2.3
77.74211	2.2
78.66692	2.4
80.05225	2.6
85.02889	3.6
125.79682	2.7
130.27832	2.2
173.03105	2.2
224.01762	4.2
224.81274	2.5
245.05156	4.3
248.92621	3.7
353.08502	100.0
354.08691	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	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
55.01863	13.5
55.05511	34.3
57.03423	16.8
57.07071	20.7
61.02926	4.9
65.03928	9.0
67.05510	49.4
69.03091	6.5
69.03436	91.9
69.03801	3.8
69.07068	37.1
70.06586	13.9
71.04987	11.0
71.50557	4.2
72.08144	21.7
73.02926	8.0
79.05487	43.8
81.03416	24.1
81.07060	95.4
83.04980	30.5
83.08628	29.7
85.02914	34.9
85.06538	18.0
87.04477	6.1
91.05485	60.6
93.07037	58.9
95.04974	55.7
95.08612	84.1
97.02879	35.6
97.06512	15.1
97.07646	9.2
99.04472	27.3
103.03944	9.5
105.07035	55.0
107.04902	7.1
107.08601	92.8
109.02888	9.0
109.06528	49.3
109.10159	51.1
111.04414	15.9
111.08090	45.0
111.86494	5.7
113.09624	6.7
114.10295	61.8
115.03939	9.9
117.07034	13.6
119.04945	20.1
119.07928	5.0
119.08592	51.6
121.06474	20.6
121.10144	100.0
122.06023	6.1
123.04400	10.4
123.08061	48.2
123.11718	84.6
125.05966	17.1
125.09642	18.4
127.03913	18.3
127.07569	10.9
129.05475	6.8
129.07028	11.4
131.08618	23.0
133.06522	5.2
133.10135	32.8
135.08047	25.5
135.11702	45.4
137.05988	13.5
137.09608	16.4
137.13217	9.0
139.03938	14.0
139.07489	9.1
142.07788	7.9
145.04918	10.1
145.06474	7.9
145.10123	22.6
147.04417	41.7
147.08063	15.1
147.11679	21.8
149.06020	6.6
149.09637	13.6
149.13269	72.2
150.12752	6.5
151.07571	14.6
151.11163	9.9
153.09088	29.5
157.10139	10.1
158.10811	5.1
159.09210	7.3
159.11641	12.0
161.09576	7.4
161.13242	19.8
163.03976	7.0
163.07535	9.8
163.11215	8.9
163.14851	36.8
165.09134	14.0
165.12772	5.8
167.07074	6.7
167.10742	8.8
167.14365	13.5
168.52177	4.3
171.10178	7.8
173.13280	23.3
175.07567	6.4
175.11169	13.1
175.14819	10.1
176.14323	5.5
177.12781	8.2
179.14247	21.1
181.08606	7.4
188.06995	6.6
189.12727	8.7
191.10728	10.0
191.14314	50.3
195.10210	5.4
201.10283	13.8
203.10655	78.2
203.14268	7.6
207.06531	6.1
209.11667	4.9
209.15324	34.1
212.07108	6.6
221.15428	7.5
229.09744	24.3
230.08070	6.3
233.15347	8.4
251.13071	4.8
257.09198	23.4
265.23898	13.3
275.10257	14.0
275.16513	7.3
276.12329	11.5
304.35947	5.0
317.11047	6.6
317.17569	10.0
335.12494	25.3
335.18610	18.1
353.13358	13.1
353.20065	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2847
Annotation	Melophlin R
Peak:m/z	Relative Intensity
50.53273	0.2
53.03926	0.3
55.05514	1.9
56.05040	2.6
57.07075	0.4
62.06093	0.6
67.05505	1.5
69.07070	2.9
69.35120	1.9
74.05666	0.4
74.06082	6.2
79.05496	2.3
81.07064	3.8
83.04998	0.3
83.08612	0.5
91.05475	1.0
93.07047	3.4
95.08614	3.0
99.08102	0.4
105.07045	1.9
107.08598	4.6
109.10159	1.0
111.10353	0.3
111.98980	0.3
117.07001	0.3
119.08591	3.2
121.06525	0.3
121.10162	2.1
123.11669	0.4
124.07619	0.4
126.09109	0.4
128.10732	1.0
131.08517	0.3
133.10127	2.9
135.08105	0.3
135.11693	1.7
136.17909	0.2
137.13232	0.8
140.10754	0.3
140.38542	0.3
142.12286	2.0
142.40277	0.2
145.10114	0.4
145.59319	0.3
146.07605	0.3
147.11682	1.7
149.09560	0.3
149.13266	1.4
152.10692	1.3
157.50496	0.3
161.13251	3.1
162.12802	1.0
163.14813	0.5
166.12303	0.4
175.14825	1.1
177.16394	0.3
178.12177	0.3
179.13052	0.3
180.13823	0.4
182.11821	0.4
189.16386	0.7
205.19611	0.5
206.15411	9.8
208.16982	3.5
217.19524	1.7
222.18544	5.1
224.20113	1.0
231.21136	0.4
250.17984	0.4
278.24854	0.3
282.20596	1.2
320.25839	0.9
334.27396	0.6
352.28473	100.0
353.28815	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86963	0.4
54.48298	0.5
55.05509	5.2
56.05037	42.4
57.07064	1.0
58.06596	0.5
63.07766	0.4
67.05499	1.9
69.44912	2.7
69.45327	1.4
82.06585	1.2
84.04503	3.1
84.08142	32.7
86.05156	0.5
86.09264	0.7
86.09713	5.0
91.66143	0.4
98.20823	1.2
100.09609	0.5
106.06557	2.9
112.11265	0.7
115.55361	0.5
118.62566	0.5
123.34793	0.5
127.08681	100.0
128.09053	0.8
141.06599	2.3
155.11771	4.3
157.13310	0.6
169.13367	45.0
170.13678	1.3
191.08092	0.7
203.05042	0.6
246.12387	43.5
247.12885	1.0
288.17059	75.7
289.17294	2.3
291.79877	0.6
309.13181	0.8
352.17218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94349	3.0
53.03946	7.8
55.05513	22.1
57.07071	6.2
64.62276	2.4
65.03938	7.0
65.09930	2.3
67.05508	37.6
69.03427	5.0
69.07072	50.7
71.04999	8.6
71.08630	6.2
71.22271	5.0
71.22625	2.5
79.05496	31.1
81.07061	59.0
83.04971	4.6
83.08626	14.1
91.05478	46.2
93.06486	4.3
93.07053	55.4
95.04977	23.9
95.08610	59.3
97.06538	16.3
97.10168	5.2
98.91135	2.5
99.08082	4.3
105.07033	79.4
107.08595	54.0
109.06528	8.9
109.10165	45.9
111.08080	5.2
115.05473	4.2
117.07014	11.1
119.08588	100.0
121.06514	8.6
121.10152	47.3
123.08064	4.7
123.11684	15.0
128.06239	9.8
129.07022	10.1
130.07796	7.0
131.08575	34.5
133.10144	41.2
135.08093	13.0
135.11697	20.0
137.13263	9.9
142.07753	15.4
143.08580	22.5
144.09326	4.5
145.10123	47.2
146.07289	8.4
147.08009	4.3
147.11687	25.3
149.09631	14.9
149.13272	5.7
155.08551	5.9
156.09338	7.6
157.10139	34.3
158.10876	3.2
159.08049	5.2
159.11691	26.1
161.09622	47.7
161.13225	15.7
163.11266	6.1
165.06943	4.4
169.10129	9.9
170.10883	4.6
171.11708	23.6
173.13240	16.2
175.11223	7.2
175.14853	16.0
177.16403	18.0
179.08615	3.9
181.10161	6.2
182.10956	2.9
183.11742	10.2
184.12321	2.7
185.13251	20.7
187.14807	8.0
189.12772	2.7
189.16402	6.7
194.10800	5.9
195.11659	5.9
197.13297	8.5
199.14824	8.6
201.16365	7.4
203.17920	6.4
209.13245	16.7
211.14815	8.3
213.12807	3.6
213.16286	3.6
215.17859	2.9
223.14859	3.5
224.15543	2.9
225.16342	3.5
227.17838	3.2
239.18005	3.2
241.19633	7.4
251.17874	2.8
253.19608	3.2
255.21152	5.8
259.20590	5.4
267.21082	5.1
333.25729	4.5
351.26904	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01864	2.8
55.05513	14.3
57.03454	2.8
57.07072	7.6
59.87741	1.6
63.25706	1.8
65.03937	2.5
67.05170	3.1
67.05510	31.9
69.03434	4.7
69.07072	16.7
71.04994	6.1
71.08630	2.9
71.51902	3.4
79.05495	30.6
81.07061	88.5
83.04971	2.4
83.08622	5.3
91.05484	39.1
93.07047	60.9
95.04971	15.3
95.08613	57.5
97.06532	15.8
97.10189	3.4
99.08096	2.8
103.05467	4.3
105.07036	73.9
106.07278	1.8
107.08606	38.4
109.06509	7.2
109.10164	32.6
111.08110	3.0
115.05447	2.8
117.07039	12.0
119.08585	53.5
121.06512	7.8
121.10149	40.8
123.08060	2.9
123.11714	100.0
128.06218	4.4
129.07019	9.5
130.07796	5.8
131.08571	33.6
133.06461	1.8
133.10143	44.1
135.08073	17.0
135.11685	7.3
137.09612	2.7
137.13235	1.9
141.06960	3.3
142.07782	8.5
143.08563	18.6
144.09273	2.0
145.10132	34.6
146.07323	3.8
147.08041	3.9
147.11699	15.0
149.09636	9.6
149.13286	3.2
154.07886	2.3
155.08553	8.1
156.09328	7.0
157.10139	23.0
158.10927	1.9
159.08044	3.6
159.11722	10.8
161.09631	31.6
161.13274	5.2
165.07037	2.4
165.56731	1.8
169.10141	14.0
171.11694	12.8
173.09645	3.9
173.13307	5.9
174.19124	2.0
175.11177	3.3
175.14806	4.8
178.20753	1.8
179.08585	3.1
179.14308	2.8
181.10126	4.0
183.11708	6.3
185.09700	2.9
185.13272	7.1
187.14873	5.1
189.16315	3.0
195.11757	5.6
196.12430	3.6
197.13271	7.1
199.14867	5.2
203.17853	2.3
209.13239	4.7
211.14830	8.2
223.14813	2.5
227.14278	2.9
228.15163	2.9
229.16017	2.2
237.16368	2.1
241.19542	3.2
252.92387	2.1
255.21184	2.7
267.20929	2.2
295.20459	2.9
313.64191	1.9
319.14795	1.9
333.26266	2.5
351.26709	6.9
351.29742	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01878	2.7
55.05512	18.2
57.03436	6.4
57.07069	5.6
65.03941	2.8
65.53985	1.4
67.05511	53.1
69.07079	18.3
71.05014	4.1
71.08630	6.1
75.04500	2.2
79.05500	67.9
81.03443	2.3
81.07062	59.5
83.04994	2.9
83.08621	9.5
85.06545	4.4
91.05484	66.3
93.07052	84.0
94.07374	2.1
95.04973	7.7
95.08608	35.5
95.09175	2.5
97.06557	3.7
97.10178	2.8
99.08120	8.3
105.04533	2.4
105.07037	75.3
107.07876	2.8
107.08606	47.3
109.06521	4.6
109.10165	14.5
109.17034	1.6
111.08098	2.6
115.05480	1.6
117.07023	15.0
119.08591	65.3
121.06416	1.8
121.10149	35.6
123.08082	2.4
123.11730	4.2
125.09695	2.3
128.06236	3.4
129.07025	13.4
131.08585	30.1
133.10144	49.8
135.08061	3.0
135.11700	33.9
137.09665	2.3
141.06979	2.1
142.07840	2.5
143.08559	15.9
145.09039	2.8
145.10130	23.9
147.08090	1.7
147.11702	52.6
149.09673	4.1
149.13275	22.5
151.11203	2.7
155.08481	3.1
157.10138	13.1
159.11688	18.5
161.09660	3.3
161.13263	45.0
163.11197	5.2
163.14861	9.5
167.08598	3.8
171.11702	20.0
173.13266	9.8
175.11203	3.4
175.14854	18.5
177.12708	3.9
179.14331	1.6
181.10123	2.7
183.11749	2.1
185.13292	16.0
187.14824	5.5
189.12701	3.9
189.16475	1.5
190.89841	1.3
193.10194	1.8
195.11761	2.8
197.13358	2.2
199.14880	8.0
201.16591	2.1
203.14424	2.0
207.11690	2.1
209.13312	3.5
213.16452	3.5
215.18010	3.4
217.19499	4.1
223.14862	1.4
231.17528	3.7
231.21097	9.9
241.19527	37.5
259.20593	100.0
260.21106	1.6
277.21609	6.4
290.09344	1.6
319.09598	3.7
323.23590	1.7
333.21503	1.5
333.24515	2.7
351.12253	4.5
351.25906	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.7
55.05518	18.7
57.03429	6.8
57.07072	2.4
60.52444	2.1
65.03942	2.5
67.05183	4.0
67.05506	47.4
69.07069	14.4
70.46527	6.8
71.04985	4.3
77.03915	2.6
79.05494	73.6
81.07057	59.7
83.04993	3.0
83.08624	10.9
85.06542	4.3
91.04910	2.4
91.05481	53.9
93.07049	90.8
93.07643	5.0
95.04949	4.3
95.08611	38.6
97.06508	3.8
99.08103	4.3
105.07034	59.8
107.08599	52.5
109.06493	3.2
109.10146	15.5
117.07014	11.0
119.08585	59.4
121.09335	3.0
121.10148	40.7
121.10977	1.4
123.11680	4.7
128.06187	3.0
129.05481	2.3
129.06998	9.7
131.08572	20.2
133.10132	47.9
135.08112	2.7
135.11693	41.1
137.05994	3.0
143.08560	11.5
145.10117	24.1
147.11690	46.4
149.13255	25.0
157.10132	13.9
159.11688	20.1
161.13268	39.4
163.11220	3.6
163.14810	9.3
167.11211	2.2
171.11693	16.1
173.13327	10.3
175.14828	24.2
177.12784	2.7
177.16321	2.3
185.13271	12.4
187.14899	4.6
189.12814	3.6
199.14818	6.7
213.16321	4.6
217.15840	3.1
217.19531	5.0
218.07202	2.1
231.17477	4.1
231.21068	9.6
241.19521	41.5
241.21774	3.8
259.20605	100.0
259.23364	5.3
277.21539	16.5
298.85312	2.2
319.09665	12.0
320.10242	3.2
333.24225	8.2
351.12286	7.4
351.25314	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.3
53.03935	4.3
53.65242	1.7
55.01855	3.7
55.05276	1.4
55.05517	22.0
57.03447	15.5
57.07059	4.5
59.91664	1.3
61.38228	1.4
65.01174	1.4
65.03931	2.3
67.05508	56.8
69.03413	1.5
69.07073	21.8
70.63646	1.7
70.63986	3.4
71.04980	3.0
71.08638	63.9
77.03942	1.7
79.05501	52.1
81.03422	8.8
81.06592	2.8
81.07063	58.3
83.04983	12.7
83.08631	10.8
85.06538	4.7
85.07024	1.3
89.88538	1.2
91.05485	37.6
93.07053	66.9
95.04971	10.4
95.08617	39.2
97.06538	12.3
97.10159	3.0
99.08102	35.5
100.70585	1.2
105.07047	27.4
107.04975	8.1
107.08601	39.9
109.06507	3.4
109.09502	1.7
109.10178	16.1
111.08077	3.1
113.09619	2.9
117.07028	6.5
119.08591	19.4
121.06496	2.6
121.09327	2.1
121.10155	27.7
123.08055	1.8
123.11692	2.3
125.09642	2.7
127.11219	3.2
129.07007	3.6
131.08569	4.9
133.10139	17.8
135.10710	2.3
135.11702	39.6
136.59943	1.3
137.09592	3.1
141.09082	3.6
143.08540	3.2
144.88647	1.3
145.10136	6.4
147.11676	7.9
149.09660	1.6
149.13271	13.6
151.11192	21.5
157.10115	1.6
159.11697	4.0
161.13290	15.3
163.11180	8.4
163.14874	2.6
167.10635	3.0
167.21649	1.5
171.11682	2.4
173.13240	2.5
175.14838	2.5
177.12766	5.3
179.14323	100.0
180.14609	2.2
185.13222	2.6
189.12759	2.6
193.12158	1.4
193.74503	1.6
199.14755	3.1
221.15366	3.7
235.16956	5.1
241.19548	3.5
259.20532	8.2
272.98682	1.5
277.21643	36.9
351.25412	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
53.95490	1.5
54.14673	1.4
55.05516	15.6
57.03435	5.8
57.07066	3.4
65.03956	2.1
67.05511	45.2
69.07078	14.6
69.38496	13.1
75.04486	2.3
79.05499	64.9
81.06590	3.0
81.07063	55.7
83.04987	2.2
83.08616	5.1
85.06559	2.5
91.05489	65.4
92.51295	1.6
93.07051	75.6
93.07644	3.8
95.04976	4.0
95.08617	34.0
97.06529	2.4
97.10158	2.5
99.08106	5.1
105.04494	2.0
105.07040	66.2
107.05003	2.3
107.08598	48.3
109.10171	14.2
111.08018	1.6
112.59119	1.8
113.09675	2.6
115.05492	1.6
117.07011	11.2
119.06135	2.1
119.08593	57.0
121.10152	38.1
123.11687	2.5
128.06175	2.3
129.07028	10.0
131.08556	23.2
133.10136	49.0
135.11693	39.4
143.08624	11.4
145.10132	25.0
147.11694	51.0
149.13264	21.6
157.10135	11.8
159.11700	19.2
161.13281	32.9
163.11166	2.3
163.14804	3.6
165.12755	2.0
171.11702	12.5
173.13235	12.2
175.14825	15.0
177.12831	2.9
185.13277	16.0
187.14882	3.9
191.14386	1.7
199.14822	9.9
213.16389	5.9
217.15974	2.0
217.19536	1.6
231.17493	2.1
231.21104	7.1
241.19540	32.1
259.20590	100.0
260.06113	1.9
260.20914	3.1
277.21686	4.9
333.24280	3.4
351.25348	55.1
352.25357	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01866	3.5
55.05272	1.6
55.05513	21.4
57.03438	17.2
57.07063	4.5
65.03944	2.8
66.59837	1.2
67.05506	55.3
69.06733	1.3
69.07074	18.8
71.04978	2.8
71.08239	2.9
71.08633	56.0
73.06557	2.0
77.03927	1.3
79.05494	43.6
81.03413	8.1
81.06592	2.5
81.07060	51.3
83.04990	12.8
83.08618	13.4
85.06527	3.3
91.05483	37.4
91.13624	1.1
93.07047	62.0
95.04974	10.9
95.08611	39.3
97.06527	6.7
97.10155	3.1
99.08098	43.1
99.08759	1.7
105.04525	1.5
105.07032	25.5
106.07389	1.7
107.04974	9.7
107.08595	34.5
109.06523	3.2
109.10151	15.3
111.08051	2.1
113.09623	2.5
117.06989	5.1
119.08585	20.8
121.06580	1.3
121.10149	28.9
123.08065	2.4
123.11708	2.9
125.09657	1.5
129.07005	2.9
131.08525	7.8
133.10110	14.4
135.11699	36.7
137.09613	4.5
139.11118	1.8
141.09105	3.2
143.08571	2.6
145.10120	6.6
147.11670	9.6
149.09637	1.9
149.13243	11.3
151.11197	19.2
153.12770	2.4
157.10123	2.9
159.11700	5.1
161.13254	13.2
161.35997	1.2
163.11195	7.5
163.14838	2.7
165.12714	1.9
167.10698	3.3
170.52939	1.2
171.11691	3.3
173.13246	2.6
175.11266	1.5
175.14822	3.3
177.12720	5.2
179.14313	100.0
180.14566	1.3
181.12187	1.3
185.13281	3.1
189.12796	2.5
195.13809	2.5
199.14828	2.1
207.13792	1.4
213.16283	1.6
221.15436	2.4
231.21106	2.3
235.16910	4.4
241.19539	2.7
259.20578	8.5
277.21643	37.3
348.16013	1.3
351.25345	35.3
352.25406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
54.97484	1.3
55.01868	2.3
55.05512	18.7
57.03429	8.1
57.07074	3.5
59.11753	1.7
59.36545	1.3
65.03934	3.6
67.05509	41.4
68.19176	1.3
68.68990	1.3
69.07069	12.9
69.53561	6.0
69.53992	4.8
71.05016	2.3
71.73789	1.3
76.91091	1.2
77.46518	1.4
79.05499	68.4
81.07066	50.3
83.08626	7.3
85.06539	3.9
90.34029	1.4
91.05486	52.7
91.28841	1.4
93.07052	86.5
95.04991	2.7
95.08620	36.4
97.06532	4.2
97.10188	3.1
99.08083	4.6
103.05417	2.0
105.06316	2.0
105.07034	52.1
107.08600	54.9
109.06483	2.2
109.10176	14.4
111.08060	2.6
113.09679	2.5
117.07040	10.8
117.29025	1.7
119.08588	48.2
121.10151	45.5
123.11747	2.7
125.09639	1.6
128.06181	1.9
129.06992	6.3
131.08574	21.4
133.10136	47.5
135.11699	44.1
142.07732	1.5
143.08568	9.5
145.10133	19.2
147.10524	2.4
147.11697	48.8
149.09662	2.4
149.13268	28.6
151.11127	2.2
157.10126	9.0
159.11694	18.7
161.13255	36.9
163.11226	2.6
163.14830	11.6
171.11705	12.6
173.13255	11.4
175.14828	17.1
177.12766	3.3
185.13255	13.6
187.14818	3.7
189.12782	4.3
199.14842	6.1
203.14351	2.5
213.16414	5.5
217.16023	1.9
217.19659	2.5
221.15382	2.3
229.26268	1.7
231.17566	2.4
231.21115	9.2
235.16812	2.1
241.19519	39.5
259.20587	100.0
260.20956	2.1
277.21674	17.6
333.24207	8.0
351.25330	62.3
352.25641	1.8
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
52.31172	3.1
53.03959	4.5
55.05512	17.7
57.03439	6.6
57.07067	4.9
67.05509	62.7
69.07072	21.3
69.69641	16.8
71.05006	3.9
79.05496	82.9
81.07064	61.5
83.08626	10.8
85.06548	6.6
91.04971	5.8
91.05488	60.5
93.00913	3.4
93.07050	100.0
95.04936	4.0
95.08622	34.5
97.06556	7.6
99.08089	6.2
105.06394	6.2
105.07044	76.1
106.67429	3.2
107.08596	64.1
109.06578	4.1
109.10183	14.3
117.07010	10.7
119.08597	58.1
121.10144	44.9
129.07028	9.3
131.08589	25.5
133.10133	61.2
135.08141	2.9
135.11703	46.7
143.08542	10.0
145.10152	25.9
147.11710	52.2
149.09653	4.2
149.13277	31.2
157.10168	9.3
159.11682	25.5
159.84796	3.4
161.13278	40.4
163.14838	10.6
167.71786	3.2
171.11681	17.0
173.13266	18.5
175.11214	5.9
175.14851	23.0
177.12782	4.4
185.13235	13.9
186.09596	3.7
189.12781	4.2
199.14825	9.0
203.14243	3.8
217.19496	6.1
219.56383	3.5
231.17427	4.6
231.21104	6.7
241.19556	38.8
259.20578	90.0
277.21692	15.1
333.24490	9.2
342.94025	3.1
351.12265	5.1
351.25302	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01863	2.5
55.05511	19.7
57.03434	5.5
57.07072	4.9
64.25533	2.2
65.03938	2.7
67.05182	3.8
67.05509	51.8
69.07079	15.3
70.05679	9.7
71.05002	4.4
71.08628	7.2
75.04487	3.2
76.40524	2.2
77.03941	4.0
79.05501	72.1
79.05977	4.2
81.07061	60.1
83.08623	9.3
85.06517	3.7
91.05484	67.7
93.06484	4.4
93.07052	86.8
95.04967	4.9
95.08615	39.4
97.06528	3.6
97.10187	3.6
98.21433	3.3
99.08103	10.6
105.07040	75.8
107.04897	2.5
107.08598	49.1
109.10152	15.7
110.88863	2.4
117.07030	13.3
119.08593	60.1
121.08301	2.3
121.10143	32.0
129.06984	11.2
131.08575	20.3
133.10139	55.9
134.56520	2.6
135.11688	35.7
142.07817	3.2
143.08569	10.0
144.39061	2.4
145.10129	22.5
147.11700	50.7
149.13254	20.2
151.11148	3.3
157.10150	10.7
159.11707	21.8
161.13263	40.7
163.11157	3.4
163.14847	11.8
171.11725	15.2
173.13231	14.2
175.11342	2.6
175.14854	20.4
177.12756	6.3
179.14337	3.1
185.13274	17.9
187.14774	4.8
199.14841	7.4
213.16359	3.1
215.17975	3.1
217.19475	6.2
231.17538	5.3
231.21078	12.0
241.19556	38.4
259.20584	100.0
260.20923	3.0
277.21655	6.9
277.64169	2.6
333.24289	2.5
345.31445	2.6
351.25327	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	351.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11105	0.9
53.03943	1.6
55.01867	4.2
55.05521	4.7
58.07967	0.9
64.16546	0.9
65.59667	1.0
66.10478	0.9
67.05496	5.5
67.15273	0.9
67.38138	0.9
69.03416	3.1
69.07061	2.9
70.06207	2.0
70.06597	40.3
71.00888	2.7
71.05017	5.7
72.08150	3.6
79.05495	8.0
79.64560	0.9
81.03416	2.9
81.07043	6.7
82.06579	1.9
84.08141	1.2
85.06506	1.1
87.07974	1.6
87.96723	0.9
91.05496	5.8
93.07050	26.9
95.04955	2.6
95.06094	7.0
95.08632	6.8
96.08141	1.1
97.06567	5.7
97.07661	1.1
103.05450	1.5
105.07034	4.3
107.04955	3.8
107.08616	10.7
108.08128	1.1
109.06538	1.7
109.10158	2.8
110.06039	1.9
112.08750	5.0
113.07117	4.6
114.10294	4.2
115.05456	1.8
115.08678	3.6
117.07021	2.7
119.04923	2.7
119.08595	3.8
121.06497	1.8
121.10175	3.0
123.08063	1.6
123.11720	1.3
124.07636	1.0
125.85638	0.9
129.07039	1.4
130.05020	1.1
130.07797	1.5
131.04919	1.3
131.08673	2.0
133.10150	2.8
135.04446	1.8
135.08037	2.1
135.11710	20.3
139.03906	3.2
143.08549	1.5
145.06454	1.2
145.10133	3.6
147.04413	3.8
147.08023	1.4
147.11729	2.4
149.09496	1.3
149.13287	6.0
150.09167	1.6
150.12857	1.8
151.11192	1.5
152.14346	3.0
153.05519	2.0
153.07060	2.2
155.08577	6.9
158.07191	1.2
160.05148	1.2
161.05968	1.4
161.13216	1.3
162.12735	1.4
163.03926	7.3
164.10712	1.5
165.06989	1.3
169.10109	1.6
173.09642	2.5
175.03983	1.2
175.14960	1.0
176.14360	3.2
177.12729	4.3
178.15892	1.4
180.76184	1.0
183.08034	2.1
194.15431	23.1
195.14902	1.9
201.09117	53.4
206.15448	2.3
213.09081	1.6
225.09087	2.7
245.23018	1.1
246.18518	3.6
247.21638	3.4
248.20090	6.4
249.19652	2.0
250.18214	1.2
273.19653	3.0
290.22229	2.6
291.10233	1.4
291.20721	14.9
292.19043	14.9
292.22147	1.3
305.21179	1.6
307.24789	3.0
318.08743	1.3
319.09549	1.7
333.11398	1.8
333.22949	6.4
334.21344	5.4
339.37656	1.1
351.08591	1.9
351.12228	9.3
351.23929	100.0
351.28922	3.5
352.24323	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16599	0.6
53.03932	0.8
53.53083	0.5
55.01876	3.8
55.05515	3.0
56.05035	0.8
57.03406	0.7
59.54227	0.5
60.02576	0.5
60.05651	0.7
67.05515	4.3
68.05029	1.1
69.03416	0.9
69.07072	3.2
70.06596	40.1
71.04998	11.0
71.51492	0.7
72.08151	4.1
72.60014	0.6
79.05498	5.2
80.05004	1.3
81.03406	0.6
81.07061	5.9
82.06586	1.0
84.04536	0.7
84.08143	0.9
85.02909	0.7
86.07170	0.9
87.07973	1.6
88.11269	1.0
91.05489	4.4
93.06483	1.0
93.07052	19.3
93.07640	1.0
95.04954	1.7
95.06110	6.7
95.08601	4.1
96.04478	1.4
96.08131	1.2
97.02892	0.7
97.06550	4.6
97.07648	1.9
98.09683	1.4
105.07062	3.0
107.04954	1.9
107.08606	8.7
108.08144	0.7
109.06519	0.7
109.10181	1.5
109.78487	0.5
110.06040	1.4
112.08730	5.3
113.07153	3.5
113.09660	3.5
113.72145	0.8
114.09543	0.8
114.10279	5.0
115.05452	0.9
115.08666	3.1
117.07017	1.3
119.08598	2.1
119.30496	0.6
120.08125	1.0
121.06484	1.4
121.10146	2.2
122.09646	1.0
123.04456	0.9
123.08073	0.7
123.11752	0.7
124.07613	1.1
124.64144	0.6
125.08073	0.6
125.09652	0.8
127.04005	0.7
127.08685	1.0
129.06992	1.1
130.07806	0.7
130.09819	1.7
131.08571	1.1
133.06427	0.8
133.10117	2.3
134.09714	0.6
135.04422	1.2
135.08075	1.4
135.11690	15.4
136.11186	1.3
139.03903	1.9
142.04974	1.1
145.06572	0.8
145.10167	1.1
147.04437	1.2
147.08046	0.9
148.11253	0.7
149.09657	1.0
149.13254	3.7
150.09196	1.6
150.12798	0.9
152.10732	1.7
152.14369	3.3
155.08607	1.0
157.10120	0.7
159.08170	0.7
159.11703	1.3
161.09563	0.8
161.13306	1.1
162.07237	0.6
162.12779	1.5
163.03960	2.2
164.10751	2.3
165.09120	0.7
166.90494	0.6
175.07712	0.7
176.10728	0.8
176.14339	3.1
177.12691	4.4
178.15958	1.7
194.15417	29.5
195.14998	1.2
196.17142	0.7
201.09119	21.0
202.09438	0.8
204.13921	1.7
204.17343	0.6
206.15421	3.4
206.19095	1.0
220.16974	0.7
239.10316	0.6
246.18495	3.8
247.21706	1.8
248.20122	6.1
249.15936	1.8
249.19801	0.8
250.18028	1.6
273.19635	2.6
288.20929	1.5
290.22427	3.1
291.10162	1.4
291.20676	15.9
292.19037	14.8
307.24915	3.2
317.18637	0.9
319.09692	1.5
328.02759	0.6
333.22873	4.7
334.21237	6.1
351.12323	5.8
351.23941	100.0
352.24362	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	351.2146
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03921	0.8
55.01874	1.6
55.05500	3.1
57.03436	1.3
57.07063	1.0
57.94740	0.7
66.71302	0.7
67.05506	5.8
69.03436	0.9
69.07059	2.9
71.08644	1.3
71.50632	0.7
71.51047	0.8
79.05503	5.9
79.52383	0.8
81.03429	1.4
81.07072	7.2
83.04990	1.6
91.05482	3.7
91.35382	0.9
93.07045	4.8
95.04971	2.1
95.08624	4.1
97.02880	3.0
97.06529	1.3
97.10150	1.0
99.08112	1.5
105.07022	3.5
106.03546	0.7
107.04951	1.3
107.08604	3.2
109.06503	1.1
109.10150	2.2
111.08081	1.6
113.09634	1.0
114.05580	0.9
117.07041	1.5
119.08578	2.3
121.06533	1.1
121.10140	2.2
123.04450	0.9
133.10118	2.9
135.11685	2.0
137.09598	1.4
145.10165	1.1
147.04453	1.3
147.08058	1.0
147.11696	1.5
149.13304	1.3
159.11806	0.7
161.09576	0.9
161.13260	1.4
163.03958	1.0
163.11263	1.1
169.06490	0.8
178.04993	2.8
201.09161	2.2
225.09238	1.1
248.08395	1.0
253.12820	1.6
277.21558	2.9
291.10245	0.9
319.09662	2.4
323.12546	0.8
333.19510	1.2
351.12488	7.8
351.21429	100.0
352.21597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01865	0.8
55.05503	2.1
57.03429	1.4
57.32572	0.7
65.28510	0.8
67.05511	6.2
68.05820	0.9
69.07056	2.1
70.06585	2.1
70.46266	0.9
70.46627	2.5
71.08632	1.2
72.08153	0.7
79.05489	4.1
81.03419	1.0
81.07051	6.5
83.04971	0.9
83.08635	1.8
91.05495	4.2
93.07047	4.8
95.04971	0.8
95.08595	2.9
99.08115	1.6
103.78352	0.8
105.07030	3.4
107.08585	2.9
109.06564	1.1
109.10175	1.7
109.92332	0.7
117.07008	1.1
119.08558	2.9
121.06490	0.9
121.10126	1.0
125.89913	0.8
128.06230	0.9
129.07002	0.8
131.04919	0.9
131.08594	1.6
132.46967	0.8
133.10162	2.3
135.11693	1.3
137.06000	3.2
147.11696	2.3
149.09595	0.8
149.13280	1.3
153.32832	0.9
161.13260	1.4
165.07021	0.9
175.14799	0.7
177.06996	1.0
189.06979	2.4
190.07790	1.6
191.08589	2.0
192.09241	0.7
193.90033	0.7
195.11855	0.8
202.07799	8.2
203.08513	3.8
205.06487	4.6
206.07172	0.9
214.07860	0.7
215.08562	3.4
217.06458	1.2
218.07278	3.8
219.08031	8.2
220.08878	3.9
229.06468	1.3
230.07243	6.1
231.08060	13.6
232.08823	2.8
233.05992	3.1
233.09613	1.7
234.06700	1.2
235.07504	1.6
242.07210	1.1
243.08101	1.4
244.35397	0.7
245.05951	2.3
245.09581	1.3
246.06725	5.2
247.07568	12.1
248.08305	11.6
249.09145	1.6
250.06261	0.8
257.05966	1.3
258.06796	4.8
259.07556	8.2
259.20590	2.2
260.08328	4.8
261.05511	6.5
261.09045	3.2
262.06235	1.1
262.09955	1.5
263.10623	3.4
265.08594	1.5
273.05981	1.6
273.09073	15.5
274.06180	3.3
274.09332	0.9
275.07022	6.5
276.07791	15.2
277.08588	6.3
277.18314	1.1
277.21503	2.3
278.05865	0.9
287.06860	1.3
288.07843	2.3
289.05008	3.6
289.08591	9.4
290.06012	0.9
290.09326	15.0
291.10132	15.2
292.10629	1.0
293.08057	5.0
301.08588	9.2
303.06500	1.5
304.07318	16.5
305.08069	9.2
308.10492	1.2
318.08792	1.5
319.09662	100.0
320.10382	15.6
321.07599	1.1
323.12772	1.3
324.89990	0.9
336.09888	3.3
351.12277	37.2
351.25800	1.2
352.28439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05511	2.0
57.03445	1.5
60.64455	0.8
67.05514	6.3
69.07069	2.7
70.06527	5.6
71.08620	1.4
72.22437	0.9
79.05499	5.1
80.71051	0.7
81.03409	1.3
81.07064	5.8
83.04984	1.1
83.08652	1.0
83.45127	1.0
83.63132	0.8
91.05486	3.9
93.07027	4.2
95.04967	1.3
95.08624	3.7
97.10195	0.9
98.21123	2.1
99.08077	1.1
105.07021	3.0
107.04952	1.2
107.07978	0.9
107.08569	4.3
109.06556	1.9
109.10159	1.5
119.08586	2.8
121.10148	2.4
123.11718	0.9
129.06987	1.1
131.08601	1.3
133.10175	2.6
135.11671	1.9
137.05988	3.4
145.10135	1.1
147.11746	1.7
149.09518	1.2
151.11205	0.9
155.08530	1.2
159.11734	1.0
161.09688	1.3
161.13292	1.3
162.27353	0.8
189.07008	1.9
190.07808	2.6
191.08551	2.1
195.12181	0.8
202.07748	8.1
203.08611	4.8
205.06538	3.6
209.13324	1.0
215.08609	2.7
217.06494	0.9
218.07304	3.8
219.08058	6.8
220.08803	4.7
229.06516	1.4
230.07286	6.9
231.08034	11.3
232.08778	2.8
233.06001	3.4
233.09587	1.4
234.06842	1.6
240.27129	0.9
242.07219	1.8
245.05956	2.4
245.09840	1.5
246.06741	5.0
247.07535	12.0
248.08392	10.1
249.09218	1.4
251.07086	1.0
257.06000	1.5
258.06781	6.1
259.07596	9.5
259.20602	2.1
260.08212	5.3
261.05496	5.7
261.09079	3.2
262.06268	2.3
262.09851	1.0
263.10669	4.0
265.08578	1.6
273.05914	1.5
273.09119	19.1
274.06293	4.2
274.09146	1.1
275.06973	5.8
276.07837	19.5
277.08603	5.9
277.18323	0.9
277.21539	2.2
278.06009	1.2
286.06396	1.0
287.07010	2.6
288.07864	2.3
289.05078	3.8
289.08646	12.0
290.09399	13.8
291.10138	16.4
293.08081	3.5
301.08514	9.9
303.06671	1.8
304.07321	16.9
305.08163	9.3
307.09772	1.3
308.10333	1.3
318.08981	2.4
319.09674	100.0
320.10385	17.2
320.14206	0.9
321.07501	1.4
330.88675	0.9
336.09958	3.1
351.12308	39.5
351.25211	1.7
352.12717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1228
Annotation	Pseudosemiglabrinol
Peak:m/z	Relative Intensity
55.01862	1.2
62.86417	0.6
65.03941	0.6
67.05508	1.1
67.47760	0.6
68.99790	7.5
69.07088	0.6
70.06590	0.6
70.58591	1.3
72.59373	0.6
74.37955	0.6
81.03388	0.6
81.07049	1.2
90.48706	0.6
91.05479	1.4
93.07024	1.4
95.08592	0.9
103.05463	0.9
105.07025	1.7
107.05003	0.6
107.08577	1.0
111.00813	9.0
111.04444	1.6
115.05466	1.3
117.07010	1.2
119.04978	0.6
119.08602	0.8
121.02891	1.0
123.04424	4.5
127.88486	0.6
128.06258	0.7
129.07047	1.8
130.31065	0.6
131.04887	0.7
131.08643	0.8
135.08153	0.6
137.05975	2.5
139.03917	50.9
140.04195	0.9
141.07005	2.1
145.06500	0.7
147.04413	0.8
151.03883	0.7
152.06259	0.9
153.07021	2.4
154.07787	1.0
155.08598	3.5
157.06543	0.8
157.10052	0.6
160.05197	1.6
161.05980	2.8
163.03922	18.8
165.07001	1.9
167.08566	1.4
168.05705	3.5
169.06505	5.4
169.10143	1.5
173.05969	3.1
173.09592	0.7
173.29137	0.7
175.03972	0.9
175.07599	4.4
177.05476	2.1
178.07797	1.9
179.08566	7.7
180.09196	0.7
181.06467	1.6
182.07335	1.9
183.08092	2.9
186.06805	2.6
187.07550	3.8
193.06470	1.1
193.10132	0.8
195.08064	3.4
196.05171	1.3
197.05983	10.0
197.09650	13.6
199.07564	1.1
201.09117	25.7
206.07195	1.0
207.08104	3.7
210.06752	10.7
211.07535	6.0
211.11234	2.1
212.08368	1.5
213.09129	5.3
221.05884	0.7
221.09685	1.4
223.07620	1.0
223.11134	1.0
223.37119	0.7
224.08434	1.1
224.20149	0.6
225.09119	45.2
226.09886	4.4
231.08038	1.1
234.06677	0.8
235.07504	1.5
237.08920	0.7
238.06308	1.3
239.10684	7.7
241.12279	2.8
247.07545	0.8
248.08339	1.6
249.09021	1.5
252.08084	0.6
259.07541	0.8
263.06998	1.9
263.10617	1.6
267.07016	1.0
267.10165	11.3
275.07092	1.2
276.07813	3.7
277.08566	2.6
277.12213	1.3
279.06580	1.5
282.05179	0.7
287.07074	1.9
291.10300	1.5
292.07455	0.8
293.08401	0.9
294.08792	1.1
295.06030	7.3
296.06702	0.8
303.06635	2.9
304.07318	2.3
305.08087	5.0
305.11703	3.3
307.06033	0.8
308.06812	2.5
309.07666	5.3
309.10883	0.9
315.10162	1.0
318.08917	1.6
321.03799	1.2
321.07578	21.8
322.08368	36.3
323.09143	5.2
323.12866	1.8
333.11197	13.5
333.14948	0.8
336.09891	1.2
351.12296	100.0
352.12537	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01873	0.7
58.48478	0.2
65.03939	1.3
67.05493	0.9
68.70663	0.2
68.99789	1.4
69.03424	0.5
69.07047	0.2
70.06580	0.4
71.50736	0.4
79.05489	0.4
79.32915	0.2
80.23067	0.2
81.07104	0.2
83.04983	1.1
84.08157	0.2
85.02903	0.6
91.05505	0.5
93.03408	0.9
94.07764	0.2
95.04968	2.6
95.08601	0.3
96.04494	0.5
97.02900	0.7
98.97543	0.2
101.73418	0.2
104.45149	0.2
105.07072	0.4
106.34379	0.2
107.04982	0.4
107.86021	0.2
111.04458	4.5
119.04949	0.2
123.04442	5.6
125.05988	0.3
127.03928	0.3
129.10062	0.3
133.06454	0.3
137.05995	0.3
139.03911	100.0
140.04572	1.0
142.04965	0.5
147.04424	0.5
151.03912	7.5
153.05504	0.3
155.07039	2.5
159.07721	0.4
161.05994	0.3
163.03937	0.5
167.07062	0.8
169.04997	0.3
170.08105	0.3
171.06670	0.2
178.04945	0.2
179.03418	0.6
179.07011	1.8
181.04970	6.2
182.08116	0.5
183.06538	3.2
189.05467	0.3
193.05011	0.8
207.06567	0.6
215.11975	0.2
218.08002	0.2
225.07549	0.7
273.07535	0.4
305.10190	2.4
333.09720	3.3
333.13956	0.3
351.11813	0.7
351.15555	0.9
351.19284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62656	4.3
56.21154	4.2
59.96339	4.3
69.88276	4.1
71.04995	9.3
82.99847	6.4
84.04497	10.7
84.08141	17.2
85.01415	9.4
101.00893	32.1
103.02454	12.9
110.06394	4.2
113.00861	13.8
115.02424	10.5
119.01931	34.7
127.02421	25.5
130.08658	5.2
131.01945	21.3
133.03461	52.5
139.02492	5.7
143.01886	37.7
145.03477	70.7
147.01384	14.5
147.04939	4.7
148.06152	7.6
151.04526	8.5
155.01900	32.5
157.03479	49.7
159.05028	5.1
161.02954	31.0
166.17151	4.1
169.03488	7.1
171.01416	9.4
173.02972	56.2
175.04558	43.9
177.01009	6.2
177.02513	7.6
179.00766	14.5
185.03003	44.3
187.04509	32.9
189.02460	16.2
191.04051	5.2
197.03032	5.0
203.00844	29.0
203.04004	89.6
203.05763	8.0
206.99954	4.7
215.04083	14.6
217.02168	4.9
217.05553	5.6
221.01825	42.8
221.05049	47.9
222.50934	4.2
229.01714	4.2
231.03522	10.0
236.00262	6.7
245.05075	90.8
245.12947	4.7
246.92575	70.3
261.04648	5.4
263.06119	100.0
273.01349	18.6
273.04483	8.6
277.01212	4.2
278.95184	6.4
279.05612	12.8
289.01694	5.5
291.02393	26.0
291.05661	46.1
299.98822	5.4
303.02420	6.7
303.05688	7.2
309.03455	15.5
309.06711	54.6
316.62109	5.2
333.08279	5.2
351.07791	53.7
351.17700	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
54.17281	0.2
55.01853	0.7
62.68414	0.2
65.03941	1.5
67.05502	0.9
68.99786	1.2
69.03442	0.3
70.17138	0.8
82.04210	0.2
83.04977	0.9
84.08153	0.7
85.02914	0.4
85.35388	0.2
85.74402	0.2
93.03393	0.7
95.04966	2.2
97.02890	0.4
98.21532	0.2
107.05000	0.2
111.04457	4.2
113.94766	0.2
117.28793	0.2
117.64379	0.2
120.00239	0.2
123.04436	5.0
125.05995	0.2
133.06477	0.3
139.03908	100.0
140.04704	1.4
142.02664	0.3
149.02296	0.3
151.03909	7.4
153.05481	0.4
155.07019	1.9
162.44814	0.2
163.03879	0.5
166.12294	0.2
167.07063	0.7
169.05020	0.5
179.03447	0.6
179.07048	1.8
181.04958	5.4
181.06561	0.4
183.06535	3.5
193.04988	0.6
207.06538	1.0
213.05591	0.2
213.07562	0.2
225.07588	0.6
245.08076	0.3
273.07657	0.4
305.10205	2.6
315.08966	0.3
326.86938	0.2
333.09680	3.9
333.13300	0.4
344.05695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01861	9.0
55.05509	20.3
57.03421	4.5
57.07075	7.2
65.03938	6.1
67.05507	50.7
69.03414	3.9
69.07073	34.1
71.04998	7.3
73.26044	2.7
77.03891	3.0
79.05493	54.6
81.03403	4.8
81.07056	55.1
83.08609	9.9
91.05482	61.5
93.07044	79.8
95.04973	24.2
95.08611	52.2
97.06530	18.6
103.05453	3.6
105.07026	100.0
107.04944	5.2
107.08601	61.2
109.06538	12.9
109.10150	36.9
115.05454	4.3
116.06223	3.3
117.07034	15.3
119.07707	3.9
119.08576	77.1
121.06489	8.8
121.10139	65.1
123.08105	6.2
123.11694	14.2
128.06201	9.7
129.07013	14.9
130.07767	7.6
131.08571	43.6
133.10133	54.3
135.08063	10.4
135.11693	25.8
137.09633	4.3
141.06953	9.9
142.01605	3.0
142.07788	15.9
143.08569	29.7
144.09331	10.2
145.10112	62.9
147.08006	10.2
147.11667	21.5
149.09618	9.8
149.13263	6.2
151.11134	3.2
153.07141	3.0
155.08543	10.8
156.09319	12.0
157.10130	40.7
158.10834	3.8
159.08044	6.1
159.11699	23.0
161.09619	17.8
161.13158	7.3
163.11194	9.5
165.06973	3.7
167.08589	6.4
168.09348	6.3
169.10162	19.7
170.10875	5.0
171.11685	16.2
173.13222	17.5
175.14824	8.7
177.12723	3.8
179.08606	7.5
179.14316	5.2
181.10152	8.5
182.10896	4.9
183.11644	12.8
185.13240	9.2
187.11195	4.0
187.14798	16.6
189.12721	4.9
193.10130	6.2
194.10843	6.9
195.11653	13.6
196.12421	3.8
197.13275	13.0
199.14795	8.3
201.16399	5.2
207.11649	5.2
209.13239	16.6
210.14020	3.9
211.11420	3.8
211.14793	10.2
213.12695	4.0
219.11671	3.9
223.14812	5.9
225.16309	4.1
227.14320	12.4
229.19514	4.1
237.16272	5.7
239.17929	5.5
253.19687	4.8
255.17381	3.9
257.18942	4.2
261.16479	4.1
265.19498	5.7
275.20160	21.0
293.18887	4.3
321.25656	4.0
331.23941	4.3
349.25296	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	6.6
68.99801	3.9
69.03446	7.3
70.06601	20.4
70.06934	3.9
71.48056	4.0
71.50980	6.5
79.63057	5.2
81.03404	6.7
83.04974	5.8
84.08150	6.7
85.02918	16.4
91.05490	8.5
97.02917	6.5
98.97603	5.8
102.05636	3.9
105.03438	4.2
107.04948	4.9
111.04473	32.4
116.81637	4.1
132.95880	9.4
139.03911	99.4
171.06532	100.0
232.45572	4.3
247.33975	4.1
269.81210	4.8
282.08084	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70423	2.9
53.03942	9.3
55.01863	12.0
55.05514	26.9
57.03429	9.9
57.07064	4.5
58.69661	2.7
65.03931	8.1
65.31529	3.1
67.05186	3.7
67.05514	61.3
69.06729	4.5
69.07076	51.9
71.04987	9.7
73.29009	2.8
74.25777	3.0
74.89022	2.6
79.05078	4.3
79.05503	70.6
81.03412	8.1
81.06591	4.1
81.07063	70.0
83.04983	9.1
83.08618	11.8
85.06535	4.6
91.05486	72.1
93.06487	6.0
93.07053	88.8
95.05003	20.0
95.08060	4.8
95.08615	57.7
97.06547	22.6
97.10139	3.7
103.05518	5.8
105.07044	100.0
107.04950	12.5
107.08607	72.2
109.06546	15.3
109.10169	38.4
111.08079	3.9
111.29829	2.9
115.05505	5.0
117.07029	22.1
119.06069	3.1
119.08600	82.9
121.06535	7.1
121.10155	65.3
121.11018	3.4
123.08046	9.4
123.11709	11.1
125.09647	4.6
128.06233	6.5
128.19720	3.1
129.06996	13.4
130.07808	5.2
131.08591	53.2
133.10146	58.7
135.08032	11.5
135.11690	19.2
137.09641	6.4
139.11250	4.2
141.07042	4.4
142.07793	12.3
143.08577	22.9
144.09354	4.7
145.10144	60.4
146.10849	3.7
147.11705	29.3
149.09659	16.7
149.13271	6.8
155.08556	10.4
156.09363	8.8
157.10188	30.7
158.10918	5.0
159.08070	5.1
159.11711	26.7
161.09685	14.6
161.13287	9.6
163.11205	11.7
165.06990	4.6
167.08647	6.5
169.10147	17.1
170.10905	3.3
171.11713	16.2
173.09659	3.6
173.11916	3.0
173.13263	16.2
175.11156	3.4
175.14857	7.0
177.12720	3.4
179.08514	6.3
179.14357	7.4
181.10078	9.4
183.11681	10.1
185.13281	10.6
187.11208	3.2
187.14778	18.2
194.10864	7.2
195.11662	10.7
197.13315	15.1
199.14810	7.9
201.12727	4.0
201.16322	3.5
207.11668	4.8
209.13229	11.9
210.13850	3.1
211.14848	7.7
213.16360	4.8
223.14824	8.7
225.16370	3.7
227.14272	5.2
237.16351	3.4
239.17886	9.6
247.20622	5.0
253.19545	3.6
257.18964	6.1
265.19458	5.7
266.20255	3.7
275.20108	45.0
340.35168	3.1
349.09341	3.4
349.24887	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.0
54.77288	2.8
55.01885	16.8
55.05518	31.5
57.03445	21.6
59.76859	3.1
65.03940	5.6
65.67891	3.7
67.05507	73.9
69.07072	59.5
69.89439	16.1
75.26725	3.1
79.05068	5.6
79.05495	78.5
79.77783	3.3
81.03447	21.1
81.06583	6.6
81.07057	100.0
83.04976	9.6
83.08617	14.5
85.06563	3.9
91.05484	97.1
93.07050	61.9
95.01328	14.9
95.04993	17.1
95.08064	4.8
95.08617	58.9
97.06543	19.2
97.07076	3.7
100.03191	3.3
105.07040	96.4
107.04964	29.8
107.08595	46.7
109.06519	13.0
109.10168	19.3
109.93802	3.1
111.08127	5.0
115.64942	3.5
117.07040	34.1
119.08591	57.9
121.06503	7.9
121.10157	17.6
123.04445	6.7
123.08060	10.2
123.11667	7.3
129.07011	7.3
129.58047	3.4
131.08572	38.3
133.10139	59.4
135.08067	5.6
135.11681	12.8
137.09610	3.5
141.06996	5.7
143.08559	7.5
145.06450	7.0
145.10143	35.1
147.11679	20.1
149.09637	15.5
149.13248	7.0
157.10115	9.6
159.11693	24.0
161.13272	10.5
163.11189	14.1
165.09074	4.2
169.10199	6.3
171.11743	7.5
173.13258	11.4
177.12714	10.3
179.14352	17.6
183.11719	7.9
185.07269	3.3
185.13269	4.5
187.11189	8.9
187.14899	3.9
197.13293	3.9
213.53560	3.3
217.52550	4.0
219.17503	5.6
229.19484	8.1
239.17999	8.0
247.20532	4.8
257.19031	23.1
275.20084	81.2
349.23795	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2377
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.94125	2.4
51.02378	3.0
53.03946	9.3
55.01883	15.0
55.05513	34.8
57.03443	32.0
57.07058	3.8
59.04988	2.6
62.09066	2.2
65.03959	2.4
67.05511	73.1
69.03436	3.6
69.07075	47.6
69.07442	1.8
69.85605	4.4
69.86018	9.5
71.04980	6.4
79.05501	85.3
81.03410	8.2
81.07060	66.4
83.04980	9.1
83.08630	16.8
85.06535	6.4
91.05489	78.1
93.07050	64.6
95.01315	3.0
95.04971	15.4
95.08618	49.7
97.06541	19.0
97.10183	8.4
105.07043	100.0
107.04967	19.6
107.08604	73.0
109.06531	11.4
109.10168	22.6
111.08081	5.0
117.07027	28.6
119.08594	56.8
121.06535	8.4
121.10162	22.1
123.08061	9.1
123.11740	4.5
125.09646	9.1
128.06273	2.6
129.07004	12.2
130.07718	2.8
131.08592	45.9
133.06514	3.0
133.10152	51.0
135.08087	9.0
135.11713	13.1
137.09618	4.9
139.11285	2.5
141.07013	5.3
143.08591	10.8
145.06429	3.6
145.10143	62.9
147.08043	3.1
147.11694	34.0
149.09631	21.7
149.13310	6.5
151.11206	4.2
155.08571	4.6
157.10167	11.9
159.07996	2.9
159.11711	38.4
161.09674	5.5
161.13263	11.4
163.11163	10.8
165.12741	3.2
169.10141	8.1
171.11760	10.1
173.13312	16.5
175.11217	4.4
175.14854	3.3
177.12769	4.9
183.11671	7.8
185.13284	11.4
187.11243	4.4
189.11200	4.5
197.13269	4.8
199.14813	2.6
201.16528	3.2
203.14378	3.6
212.29317	2.4
219.17433	4.8
229.19543	5.3
239.18005	16.6
247.20636	5.7
257.18991	42.4
275.20078	91.4
293.21014	3.3
331.22754	4.4
349.20526	3.7
349.23807	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01883	10.2
55.05516	34.4
57.03442	22.2
57.07056	4.1
67.05511	48.1
69.03424	2.9
69.07070	24.4
70.97021	3.5
71.04994	2.6
79.05498	66.4
80.79717	1.4
81.03429	2.4
81.06590	2.6
81.07063	50.1
83.04987	10.4
83.08626	12.7
85.06555	3.8
91.04907	2.8
91.05482	50.6
93.07053	44.1
95.01308	1.7
95.04972	13.1
95.08608	31.7
97.06557	9.2
97.10156	11.6
103.05459	1.9
105.07038	63.5
106.07431	1.7
107.04305	1.9
107.04969	23.7
107.08600	65.0
109.06530	16.6
109.10158	16.7
111.08089	5.3
115.05350	1.9
117.07030	14.2
119.06007	1.6
119.07806	2.3
119.08588	28.6
119.90256	1.4
121.06496	13.8
121.10159	13.6
123.08073	5.8
123.11699	3.5
125.09637	9.4
128.06184	1.6
129.06987	4.9
131.08583	32.5
133.06509	2.1
133.10143	31.4
135.08084	8.1
135.11726	8.1
137.09607	3.5
141.06999	2.3
143.08549	8.7
145.10135	50.0
147.08040	5.8
147.11694	23.7
149.09631	17.3
149.13269	4.4
151.11163	6.3
153.12735	1.4
155.08565	4.0
157.10120	6.3
159.08009	2.3
159.11700	15.7
161.09587	4.9
161.13310	7.4
163.11169	10.9
169.10075	3.8
171.11629	9.8
171.52130	1.4
173.09685	3.0
173.11900	2.0
173.13284	8.9
175.11198	5.5
176.89526	1.4
177.12712	3.0
183.11656	3.7
187.11197	4.4
189.11237	7.7
191.14195	2.4
197.13289	3.5
201.12784	3.6
201.16504	1.6
207.13774	3.1
215.18016	2.1
219.13823	3.2
219.17523	1.9
229.19501	6.3
239.17958	10.8
247.20636	4.1
257.18997	32.8
275.20084	100.0
276.20587	2.1
279.45578	1.5
293.21158	6.7
331.22662	2.7
348.74484	1.9
349.10715	1.9
349.23758	46.7
350.24023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39355	2.6
53.03934	8.4
55.01862	9.9
55.05267	3.0
55.05510	27.6
57.03438	18.7
57.07063	4.0
65.03928	4.5
67.05509	70.1
69.07073	34.6
69.79751	2.5
70.63578	8.1
71.04975	3.3
71.50510	3.0
77.54174	2.7
79.05071	4.9
79.05500	68.4
81.03409	6.3
81.07059	100.0
83.04964	7.1
83.08640	12.1
85.06562	5.5
91.05486	66.1
93.07050	73.7
94.29082	2.7
95.01331	3.1
95.04977	13.7
95.08612	49.5
97.06563	15.1
97.10184	6.8
99.08092	2.9
105.04558	3.6
105.07035	67.0
107.04972	16.4
107.08596	44.7
109.06520	16.9
109.10155	19.3
110.73553	2.9
111.08095	4.0
117.07036	23.9
119.08596	54.9
121.06516	6.1
121.10168	23.5
123.08099	6.3
123.11722	6.2
125.09618	4.7
129.07047	10.0
131.08574	40.1
133.10138	48.0
135.08055	8.8
135.11717	13.3
137.09572	7.5
141.07001	5.8
143.08578	11.0
145.10126	44.1
147.11673	27.2
149.09630	13.4
149.13217	7.9
151.11205	3.5
155.08646	4.7
156.99071	3.0
157.10091	5.7
159.11714	28.5
161.13287	10.3
163.11194	9.5
165.12770	5.8
169.10132	8.1
171.11700	7.2
173.13205	13.0
175.11229	8.5
177.12796	5.0
179.14293	6.6
183.11697	5.2
185.13264	4.2
187.11234	3.6
187.14856	3.1
191.19641	2.6
197.13239	4.4
229.19547	7.5
239.17972	9.9
247.20636	7.6
257.19025	27.6
275.20081	74.0
349.10696	3.6
349.23801	87.7
350.24411	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.6
55.01876	39.3
55.05269	3.6
55.05514	37.6
57.03440	24.7
57.07071	5.4
65.03931	6.9
67.05508	86.1
69.03429	4.9
69.07072	54.0
69.79185	3.2
69.79595	10.7
71.04984	6.9
77.03918	2.4
79.05496	97.1
81.03426	16.7
81.07059	89.4
83.04984	16.1
83.08623	16.4
85.06550	3.7
91.05491	83.5
91.89339	2.1
93.06483	4.5
93.07048	73.0
95.01313	10.4
95.04970	21.0
95.08611	60.9
97.06537	63.4
97.10172	12.1
98.20889	3.0
103.05441	4.2
103.80276	2.1
105.04514	2.9
105.07040	100.0
107.04967	38.1
107.08601	55.8
109.06514	13.0
109.10165	22.5
111.08076	6.2
111.94299	2.4
115.05457	4.1
117.07024	26.6
119.07805	3.8
119.08591	46.2
120.08892	2.3
121.06512	8.0
121.10156	28.1
123.04400	3.4
123.08092	9.8
123.11722	6.8
125.09614	10.6
129.07028	5.5
131.08569	40.2
133.06453	2.9
133.10139	64.2
135.08087	10.1
135.11650	14.5
137.09648	5.7
139.07582	2.5
143.08563	7.1
145.06497	6.3
145.10129	34.9
147.08011	3.5
147.11691	22.5
149.09630	23.7
149.13272	7.6
151.11133	4.2
157.10191	6.7
159.11691	30.3
161.09621	4.3
161.13322	9.5
163.11127	10.7
163.14876	3.3
165.09111	5.4
169.10159	5.8
171.11763	6.9
173.13283	12.2
175.11232	3.1
177.12782	8.3
179.14305	16.9
183.11742	3.8
185.13280	3.8
187.11230	6.3
187.14792	3.1
189.11226	4.2
196.88643	2.3
197.13258	5.4
205.12408	2.6
215.14252	2.8
215.17984	2.5
216.56837	2.2
229.19615	6.7
239.18076	5.6
247.20602	8.9
257.19006	20.1
271.33026	2.0
275.20074	85.9
349.23776	71.2
349.33868	3.5
350.23642	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63391	1.6
53.03933	6.4
55.01876	20.2
55.05516	37.3
56.96555	3.7
57.03443	19.0
57.07074	2.2
59.04997	1.6
63.02670	1.6
65.03920	3.6
67.05509	60.6
69.03423	3.7
69.06728	3.3
69.07069	36.9
69.31875	15.8
71.04980	3.2
77.03939	2.1
79.05498	100.0
81.03411	7.4
81.06601	2.5
81.07062	50.2
83.04984	12.4
83.08630	16.5
85.06545	3.6
91.05487	67.6
93.07044	54.5
95.01336	3.0
95.04995	11.9
95.08614	32.5
97.06544	23.4
97.10171	13.7
103.05429	3.7
105.04530	2.1
105.07039	70.9
107.04968	22.1
107.08600	95.1
109.06535	8.5
109.10150	19.7
111.08088	6.9
115.05453	2.6
117.06239	2.1
117.07027	23.3
119.07812	3.0
119.08597	43.3
119.92641	1.7
121.06493	7.2
121.10154	18.3
123.08131	2.4
123.11681	2.4
125.09627	13.3
129.06992	7.0
131.04878	2.0
131.08578	31.4
133.06522	2.1
133.10139	42.6
135.08083	7.5
135.11720	12.7
137.09628	3.2
137.13231	1.7
141.06987	5.0
143.08536	12.7
145.06502	1.8
145.10127	66.5
147.08014	2.9
147.11694	33.2
149.09637	31.0
149.13280	3.2
151.03922	2.0
151.11119	2.1
155.08501	6.6
156.09377	2.3
157.10092	7.7
159.11691	23.6
161.13252	8.0
163.11177	13.1
169.10126	5.4
171.10335	2.3
171.11653	11.4
173.11836	3.1
173.13260	9.2
175.11163	2.2
179.14325	5.3
181.10069	2.0
181.12288	3.3
183.11707	7.1
185.13260	5.0
187.11221	4.2
187.14832	2.4
189.11237	8.6
189.27275	2.0
193.12183	2.0
195.11667	5.3
197.13258	6.6
211.14679	2.1
213.16322	1.9
219.17438	2.6
229.19496	4.9
233.15245	3.1
239.17981	16.1
247.20580	5.3
257.19003	44.9
267.09006	3.1
268.09424	2.2
275.20084	62.9
285.10016	3.0
296.79648	1.9
331.15466	2.5
331.22742	2.6
349.24011	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01870	2.8
55.03000	4.4
55.05517	5.2
57.03441	4.4
67.05520	6.9
68.05015	1.1
69.03444	1.7
69.07079	2.7
70.06596	35.7
70.45804	1.2
70.46147	3.5
72.05643	2.1
72.08160	57.7
79.05500	9.6
81.03450	1.3
81.07063	8.5
82.06583	1.5
83.04983	1.2
83.08624	1.6
84.08177	1.7
85.02882	1.1
86.09701	1.4
91.05482	6.9
93.07066	6.2
94.06568	3.4
95.05004	2.4
95.08613	4.0
97.02879	1.9
97.06551	4.4
97.07655	24.0
105.07047	6.3
107.04999	1.6
107.08586	5.8
109.06536	2.6
109.10164	1.2
112.08757	6.5
114.10302	57.5
117.07034	2.1
118.06528	1.0
119.06023	1.3
119.08607	4.8
120.08119	3.8
121.02898	2.4
121.10158	2.4
122.09676	3.0
130.05031	1.3
131.08575	4.1
132.08122	5.0
133.08923	2.0
133.10136	4.1
134.09663	17.5
135.08055	1.7
136.11201	7.1
137.10799	1.2
138.12781	1.3
144.08170	1.2
145.10146	5.5
146.09706	3.5
147.09357	1.4
147.10454	7.0
147.11580	1.9
148.11214	12.8
149.09641	2.7
150.09212	2.2
151.11147	1.4
158.06158	1.5
159.11630	2.5
160.11217	13.6
161.06050	1.5
161.10762	1.8
161.12004	2.1
162.12761	2.0
163.03975	1.4
163.08705	2.3
163.11269	1.8
173.10805	2.8
174.12785	15.9
175.08749	2.2
175.13579	3.0
176.14359	6.9
177.05388	1.4
179.06970	1.1
181.08667	1.0
181.55533	1.3
186.12750	1.2
188.14343	11.3
189.15154	6.5
190.12276	2.5
190.15904	12.4
191.15448	9.8
192.13814	9.8
200.12845	3.4
202.12288	1.2
204.13858	14.8
215.15424	2.1
217.13393	3.8
218.19019	2.1
219.07718	1.4
228.17494	2.9
229.13376	4.8
244.16798	1.7
244.22795	2.5
246.18532	34.2
257.19092	1.8
263.21198	2.7
271.17981	7.4
275.20090	5.0
288.20712	35.6
289.09274	1.5
305.23380	100.0
306.23724	1.3
342.42389	1.2
349.17746	2.2
349.22333	35.9
350.29077	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	347.124
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01871	4.1
59.50801	0.7
65.03932	0.9
65.52770	0.7
67.05479	1.2
69.03425	1.4
69.86107	3.9
74.64011	0.8
79.05495	2.0
81.07040	1.6
91.05473	3.5
93.07034	2.3
95.04990	0.8
97.02867	1.0
98.21463	1.5
103.05474	2.2
105.07018	2.0
107.04968	5.4
108.04406	1.1
115.05453	1.0
117.07045	1.2
119.04932	1.3
119.08569	1.2
120.08047	1.0
121.06525	4.7
122.06059	0.8
123.04440	4.1
124.05244	1.0
128.06187	1.3
129.07028	5.4
130.51411	0.8
131.04938	1.3
131.08534	0.9
133.02872	1.9
134.06010	1.7
135.04381	1.2
137.05969	3.5
138.05544	1.5
139.03908	1.1
140.04564	0.9
141.12021	0.7
147.04414	8.7
147.08041	1.9
149.05998	2.9
151.03900	2.5
151.07545	1.5
152.03429	1.0
153.05492	5.4
153.06612	0.8
157.06479	3.3
157.07640	0.9
160.03932	2.0
161.05933	2.0
162.05478	1.1
163.07535	2.5
165.05498	2.2
165.06960	1.4
167.07072	13.1
167.08473	1.2
168.08022	0.9
171.09195	1.1
171.11732	0.8
175.07556	11.0
176.07040	1.4
178.04979	2.9
181.06425	1.5
181.08586	9.5
184.07629	0.9
185.07121	2.6
185.10709	1.5
186.09158	1.2
187.05014	2.4
189.09138	1.9
191.06966	1.1
193.08551	1.6
195.08008	2.1
196.07544	1.0
198.07892	1.0
199.08691	5.3
200.07048	0.8
200.10738	0.9
201.06558	4.1
201.10272	1.7
208.08569	0.9
210.09006	1.4
211.08696	1.2
211.12227	0.8
213.06699	6.8
213.10292	5.5
214.08751	0.8
219.08092	0.9
227.08217	8.2
227.11778	2.5
228.10194	1.2
229.09671	3.1
231.07602	3.8
231.11188	1.1
237.10197	1.9
238.08589	2.4
239.11954	1.1
240.54408	0.7
241.09895	4.3
243.10159	1.6
245.09276	1.2
251.07227	1.1
253.08618	1.2
255.07698	10.8
255.11322	6.8
257.09247	3.0
257.12683	0.8
259.07321	1.0
265.09763	5.0
267.07574	3.4
269.09033	9.2
269.11929	1.9
271.09689	3.2
273.08801	5.0
273.11569	0.9
283.10788	23.1
287.10315	3.3
293.09250	9.4
297.11212	1.7
301.11499	6.4
303.12332	3.0
311.10266	41.8
319.12845	2.7
329.06836	2.7
329.11295	67.3
330.11716	1.4
347.12335	100.0
348.12744	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0763
Annotation	8-Hydroxyiristectrigenin A
Peak:m/z	Relative Intensity
51.02384	1.3
53.03942	1.2
55.01870	1.8
55.11580	0.6
55.38931	0.6
55.92020	0.6
58.94678	0.5
64.24522	0.6
65.03951	2.9
67.05499	1.9
68.99788	2.6
70.79912	1.1
70.93919	0.5
75.48254	0.5
77.03921	1.9
79.05489	1.6
81.03397	0.6
81.07047	0.6
83.47752	0.6
84.08150	0.7
89.03930	1.2
91.05483	5.5
92.05830	1.7
93.03409	3.3
95.04967	1.4
97.02891	0.8
105.03419	3.2
107.04951	3.8
107.22044	0.6
109.02883	1.2
111.04487	0.6
117.03398	0.8
119.04953	6.7
121.02847	4.5
123.04432	100.0
124.04797	0.8
135.04416	28.5
137.02371	0.6
137.05974	1.1
139.03909	10.8
147.04416	18.2
149.02348	18.7
151.03900	4.3
152.04611	1.3
153.05461	1.6
153.07008	0.6
160.04054	0.7
161.02324	0.9
162.05452	0.5
163.03915	35.0
165.01843	4.9
165.05487	5.9
167.03410	9.0
169.06427	1.0
173.02313	0.8
173.05986	0.9
175.03940	1.5
177.01836	50.3
178.05048	0.6
179.03415	5.5
181.06502	0.7
183.02911	1.2
185.04478	1.2
185.05911	1.1
189.01830	2.1
191.03384	5.7
195.02893	20.8
195.04649	1.3
203.07005	0.6
206.04520	1.5
207.02856	4.1
213.05566	0.9
215.07027	0.9
217.95967	0.6
219.02849	4.7
229.04942	1.0
233.61316	0.8
237.05623	1.0
241.04924	1.2
255.06531	1.4
265.04938	0.8
273.07578	3.3
283.05963	10.6
301.07062	2.6
311.05554	11.4
329.06577	10.2
347.07669	8.5
347.12622	1.7
347.16672	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0761
Annotation	Trichione
Peak:m/z	Relative Intensity
51.02393	0.9
51.47755	0.5
51.65557	0.5
53.03945	2.1
53.83797	0.5
55.01880	1.5
57.03436	6.7
63.02382	0.5
65.03931	1.4
66.37164	0.5
67.05505	1.9
68.99788	4.3
69.03420	0.8
70.02476	1.5
70.02872	1.0
73.46258	0.5
77.03941	1.6
79.05495	1.8
81.03416	4.2
83.01328	1.0
83.04975	1.3
85.02905	21.8
87.23354	0.5
89.03902	1.0
91.05473	1.1
91.22799	0.5
93.03390	1.3
95.04987	2.9
97.02912	3.5
105.03394	2.4
105.04505	0.9
105.07076	0.5
107.01308	1.6
107.04960	5.0
109.02872	5.0
111.00813	1.4
115.05463	0.6
115.68105	0.5
117.03387	0.6
120.60786	0.5
121.02853	4.1
123.04430	100.0
124.04757	1.4
125.02348	4.9
127.03936	1.5
128.06207	0.6
129.07001	0.6
133.02824	2.8
135.04419	11.6
137.02367	3.0
139.03877	1.4
145.02841	3.8
145.03818	0.7
145.06508	0.5
147.04398	3.0
149.02353	4.1
151.03906	7.4
152.06215	1.5
153.01845	3.5
153.05823	0.8
153.06995	4.3
161.02332	3.1
161.06029	0.8
162.03152	0.8
163.03902	8.0
165.01848	5.7
165.06985	0.8
167.03375	1.2
169.04945	1.8
169.06445	1.1
171.02907	3.1
173.02347	19.5
173.06033	1.2
175.03990	1.1
177.01848	4.1
179.03419	1.6
181.06473	10.4
185.06001	1.5
189.05438	1.8
191.03398	14.2
195.02893	84.7
196.03194	1.7
197.05992	0.7
199.07561	5.2
201.05501	0.8
203.03410	2.2
209.04373	1.4
209.06009	5.3
211.02359	1.3
213.03903	1.4
213.05629	1.2
219.02831	0.6
226.06241	1.1
227.07030	3.5
229.04964	1.8
237.03775	2.4
237.05870	4.4
241.04912	0.6
254.05722	0.9
255.06512	23.0
257.04453	1.7
258.05206	1.7
265.04904	1.2
267.06531	1.4
269.04480	2.2
271.06073	1.7
273.07584	20.6
283.06021	18.9
285.04022	0.8
300.06357	1.0
301.07065	59.0
302.07437	1.5
305.11469	0.8
311.05502	6.1
329.06564	17.4
329.10425	1.0
347.07748	3.6
347.20251	0.8
366.26349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	26.5
57.03426	7.3
62.29279	5.6
67.05511	95.2
69.03439	6.7
69.07063	20.5
69.58085	32.7
71.13451	4.7
79.05502	32.5
81.03454	5.0
81.07063	43.6
81.93224	4.4
83.04978	7.3
83.08621	18.6
88.20514	4.6
91.05479	24.7
93.07047	24.6
95.04957	6.8
95.08605	25.7
97.06512	9.4
97.10190	12.7
100.48579	4.3
105.07018	18.4
107.08608	27.0
109.06524	4.9
109.10168	71.1
111.04457	6.2
119.08576	20.1
121.10117	11.9
123.04433	6.1
125.09631	12.4
131.08533	8.1
133.10149	16.9
135.11681	6.6
137.05968	6.0
147.11722	8.8
155.10701	29.9
163.11205	4.8
164.07063	9.7
173.11757	100.0
189.11243	11.7
195.13809	14.9
213.14822	6.6
248.80656	5.0
267.95956	4.8
275.20084	27.8
314.11066	12.0
346.13669	9.1
346.20065	9.7
346.23831	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	347.0762
Annotation	Cyathusal B
Peak:m/z	Relative Intensity
50.84841	0.7
51.02376	0.7
53.03945	1.2
55.01873	2.4
55.05510	0.7
57.03440	8.1
62.60343	0.6
65.03945	2.1
67.05508	2.3
68.99793	6.2
69.03433	1.6
69.37818	0.7
69.38134	5.2
71.04977	0.9
74.45395	0.6
74.71333	0.6
77.03943	1.9
79.01873	0.9
79.05495	3.1
81.03422	5.9
81.07037	0.9
83.01340	1.8
83.04990	1.7
84.08121	0.8
85.02910	23.6
89.03941	1.1
91.05490	1.9
93.03376	1.0
95.04974	3.6
95.08631	0.7
97.02901	5.5
97.06553	1.7
98.20786	1.5
99.04475	1.3
105.03393	3.3
105.07011	0.7
107.01308	1.8
107.04961	8.4
107.08588	0.7
109.02901	5.3
111.00797	1.6
111.04445	1.5
115.70708	0.6
117.03378	1.0
119.08585	0.8
121.02888	5.8
121.06474	1.3
121.10173	1.0
123.04436	94.8
124.04770	1.4
125.02349	5.2
127.03888	1.3
128.06216	0.6
129.06999	1.1
131.08575	0.6
133.02847	2.6
134.03668	1.1
135.04431	12.6
137.02365	5.0
137.06009	1.3
139.03896	7.0
141.06998	0.8
143.08617	1.0
145.02837	4.0
145.03856	0.9
145.06548	0.9
147.04424	4.0
149.02361	4.5
149.05948	0.9
150.03169	1.0
151.03926	7.6
152.06200	1.6
153.01836	11.0
153.05511	4.1
153.07013	5.4
157.06516	1.2
158.88199	0.6
161.02374	2.9
161.05977	0.8
162.03197	1.2
163.00333	0.6
163.03918	10.8
165.01808	8.1
165.05449	1.5
165.06943	1.1
167.03386	1.5
167.07144	0.8
169.04977	2.3
169.06335	1.0
171.02910	3.2
171.04315	1.1
171.07962	1.2
173.02361	22.2
173.06013	0.9
174.20700	0.6
175.03937	1.3
177.01874	4.7
177.05638	0.7
179.03416	3.0
181.05003	1.0
181.06462	10.9
183.02876	1.7
185.05922	1.7
185.07320	1.3
187.07648	0.9
189.05502	1.9
189.60477	0.6
191.03397	16.1
193.04890	0.8
195.02901	100.0
196.03265	1.1
198.06699	0.7
199.04036	0.8
199.07591	4.0
201.05482	1.8
203.03416	1.9
206.35136	0.6
207.06570	0.7
209.04425	2.3
209.06168	5.0
211.02396	1.9
213.03889	1.7
213.05534	2.3
215.03592	0.7
216.04132	0.7
217.05058	0.8
219.02780	0.9
226.06256	0.9
227.06943	5.1
229.04936	4.9
230.05807	1.1
231.06534	1.6
233.04478	1.1
237.03748	2.4
237.05913	5.1
241.04944	2.2
243.03024	0.9
243.06569	1.4
244.03793	1.6
245.04556	0.9
255.06529	25.9
257.04495	3.2
258.05240	8.8
259.06015	2.4
261.04056	1.1
265.05087	0.9
269.04425	3.5
271.06061	2.2
273.07568	22.4
274.14212	0.7
281.53024	0.7
283.06000	18.4
285.03922	3.1
286.04684	5.0
287.02524	1.2
287.05481	8.1
291.08655	2.3
299.05573	0.9
300.06241	1.6
301.07089	56.1
302.07440	1.6
303.05035	2.5
303.17813	2.6
311.05487	4.7
314.04184	1.6
315.05026	2.4
329.06546	15.6
329.10419	1.2
331.04550	4.7
332.05273	2.3
347.07614	62.5
348.07916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.8
57.03445	0.7
61.02934	0.6
62.14219	0.4
63.27194	0.4
65.03941	0.5
65.67231	0.4
69.03429	2.4
69.56296	0.7
69.56704	2.2
70.06601	0.7
72.08142	0.5
81.03413	0.6
82.06628	0.4
83.44717	0.4
84.08155	1.0
85.02900	3.6
91.05486	0.7
92.04971	0.6
97.02906	1.3
99.04433	0.6
101.00895	1.1
109.02866	0.6
110.06066	0.7
117.04008	0.5
118.04120	0.4
119.01944	1.2
120.04470	1.3
125.06284	0.5
127.02431	0.5
131.01889	1.2
133.06377	0.4
135.60339	0.5
136.07568	0.5
137.06049	0.4
137.08328	0.4
138.05470	2.8
142.03532	1.2
143.01915	0.6
145.03577	2.4
146.03445	0.4
147.04425	0.8
148.03937	49.6
155.01860	0.4
157.03543	0.5
160.05032	0.4
163.04477	0.4
166.05009	92.4
166.08698	1.7
167.05373	1.2
170.02980	1.5
171.01498	0.4
171.05110	0.5
177.00926	0.4
177.05515	1.2
184.06064	100.0
185.03023	0.4
185.06541	1.2
192.94690	0.6
196.04585	0.9
198.02505	2.1
210.95799	0.5
214.05739	0.5
220.08572	0.5
222.02054	0.5
231.87129	0.4
232.95825	0.6
240.03534	0.6
241.05559	1.4
244.03203	2.1
257.05109	0.7
257.97421	0.4
260.06699	0.7
268.03052	0.9
272.49313	0.5
274.05392	0.5
276.05627	0.5
283.11514	0.7
285.04471	0.6
286.04016	3.2
295.03720	0.5
300.14093	0.6
304.05194	1.7
313.04697	0.5
316.67880	0.5
319.04022	0.5
328.12659	0.5
329.12079	0.8
346.03513	1.0
346.11234	1.4
346.14590	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
67.05481	2.4
69.03436	3.6
71.51247	2.7
73.19879	3.6
79.05489	6.0
79.26508	2.5
80.14616	2.6
81.03420	2.8
81.07050	3.8
84.08068	2.5
86.09692	3.7
89.52037	2.5
91.05480	6.2
94.04159	3.4
95.08596	3.6
103.05452	9.3
105.06992	7.2
107.04932	4.3
109.06516	3.3
117.06977	3.3
119.08610	2.9
121.06483	3.6
122.03639	11.4
122.06045	6.3
123.04424	8.3
124.07489	4.2
126.94090	2.9
131.04950	17.4
133.06493	16.6
135.08035	5.9
137.05986	100.0
138.09180	3.5
139.03877	4.0
140.07025	5.0
144.04449	3.3
145.06439	4.1
151.03938	4.9
151.07564	12.7
161.05957	3.1
163.07562	29.4
167.06970	3.1
171.08043	3.0
172.03964	16.1
175.03865	3.6
175.07556	3.5
177.09164	13.3
181.06445	4.1
191.06935	3.8
193.04999	5.4
193.08667	3.8
198.63988	2.7
204.06581	24.5
214.14401	6.5
253.08563	6.5
267.10196	4.1
284.10312	4.3
285.11264	5.1
295.09756	3.2
299.09161	2.9
313.10883	14.5
345.13354	21.0
361.09415	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	345.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
65.03934	0.9
65.78899	0.4
67.05511	2.5
68.05022	0.8
69.03439	0.6
69.07074	3.9
70.06597	0.5
71.11880	0.6
72.08188	0.4
79.05473	0.5
80.05019	1.0
82.06596	0.4
84.08147	1.0
86.09715	0.5
89.03934	1.4
91.05486	0.6
93.05774	0.7
94.06574	12.6
95.04968	1.8
96.04523	0.5
97.06552	0.4
103.05544	0.4
107.04948	0.6
108.08131	0.9
109.06548	0.5
110.06037	1.9
112.07587	1.5
116.04983	7.5
120.54132	0.4
122.06041	24.4
123.04440	2.2
132.04497	0.5
134.06044	0.8
137.05984	2.4
140.07071	31.1
141.07794	1.1
144.04453	16.2
146.06013	7.7
148.07559	0.6
153.38141	0.5
154.08630	0.5
161.05959	0.4
162.05510	6.7
163.03838	0.7
165.05482	0.6
167.07022	0.6
172.03943	61.4
173.04323	1.0
174.05476	2.4
178.08629	1.0
190.05011	2.4
204.06569	100.0
205.07011	2.0
206.08147	16.7
245.58247	0.4
253.08504	0.4
285.11499	0.8
300.12262	1.4
313.11798	3.1
327.12946	1.3
331.13031	2.2
345.10229	0.9
345.14178	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05492	1.1
56.05055	0.6
57.07062	0.8
58.99628	0.6
65.03915	0.8
67.05514	3.4
68.05022	1.3
68.57507	0.5
69.03408	2.5
69.06734	0.5
69.07077	6.9
70.06596	1.1
70.07169	1.3
70.07520	1.7
71.04963	0.7
77.03954	0.5
79.05482	2.1
81.03388	0.6
81.07061	5.8
82.06573	0.9
83.04981	1.4
84.04495	2.1
84.08137	1.1
84.31946	0.5
85.02893	2.0
89.03913	2.1
91.05467	1.0
93.05814	0.7
93.07059	1.4
94.06570	14.3
95.04972	1.6
95.08586	2.6
96.08983	0.6
97.02892	0.9
97.06505	1.0
98.06011	0.8
99.08116	3.4
105.07039	1.3
107.04949	1.1
107.08607	1.0
108.08118	2.1
109.06508	1.8
109.10149	1.3
110.06025	2.5
112.07614	1.3
116.05000	8.3
118.06564	0.7
121.06490	0.8
121.10179	2.8
122.06037	24.0
123.04443	2.5
123.11734	1.1
125.09625	2.0
128.07076	1.1
131.04869	0.8
137.05963	2.5
137.13278	0.8
139.03909	1.3
139.11179	2.3
140.07076	29.5
141.07820	1.1
144.04453	16.6
145.05061	0.7
146.06026	7.3
147.04410	1.0
147.11742	0.8
149.06062	1.3
151.03954	0.9
161.05975	0.9
162.05528	7.0
165.07007	1.1
165.12724	1.5
172.03940	61.7
173.29701	0.6
174.05489	3.9
174.07643	1.7
175.03987	1.0
175.07790	1.0
178.08672	0.7
179.06995	0.6
181.06389	0.6
183.13820	19.9
190.05017	1.6
191.07053	1.2
193.04947	0.9
193.06535	0.9
204.06570	100.0
205.06947	1.6
206.08142	15.9
210.06738	0.8
211.07515	0.9
221.06007	1.2
225.05479	0.8
225.09171	1.1
227.07025	0.8
238.06487	0.8
239.07019	0.8
253.08653	1.6
267.10361	0.6
284.10449	1.7
285.11212	3.0
295.09680	0.9
299.09265	2.5
300.12280	1.7
301.17606	0.9
313.11456	3.5
327.08829	1.6
327.12784	2.4
331.12964	1.7
345.10336	0.9
345.14081	5.4
345.21133	1.0
346.20309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1336
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01885	2.4
55.05506	2.0
63.13476	1.8
65.03933	6.3
70.70217	2.8
70.70608	2.9
85.02917	2.8
91.05506	2.5
93.03423	3.7
95.04939	2.2
96.02119	7.8
103.05463	2.9
107.01331	4.5
107.04937	1.9
111.04459	26.3
111.53683	1.5
115.05538	1.8
121.06460	2.1
123.04448	5.6
128.06215	2.3
129.07025	5.6
131.04916	3.1
137.06041	3.4
139.03923	13.5
142.07759	1.8
145.06459	4.1
147.04369	2.5
149.05978	1.5
151.07509	1.7
153.01801	2.0
153.06958	4.0
157.06493	4.0
159.04407	1.8
159.08092	6.9
160.08865	6.7
161.06029	4.9
161.09592	4.9
165.05603	2.8
165.07004	5.4
167.03416	6.7
167.07103	2.0
167.08583	4.8
168.05722	4.6
169.06529	6.5
174.06715	3.3
175.03940	2.0
175.07538	2.0
178.06238	4.8
178.07866	5.8
179.08565	5.9
181.06441	8.3
181.10312	2.4
182.07280	4.3
183.08037	5.5
185.05983	6.1
185.09605	2.4
187.07549	4.6
188.08363	7.8
189.09041	2.0
191.07008	3.4
195.08073	8.4
196.05283	4.1
196.08836	4.8
197.05995	5.8
197.09702	4.6
198.06757	20.4
199.07515	3.6
200.08299	3.1
206.07304	2.9
207.04465	1.8
207.08083	7.6
208.08858	3.5
209.05989	4.5
209.09566	2.1
210.06758	4.0
211.07550	11.2
211.11246	3.5
212.08241	2.9
213.05490	9.5
213.09131	5.9
214.23206	2.1
216.04185	2.2
221.09511	4.6
223.07640	10.9
224.04729	3.3
224.08350	5.8
225.05486	3.4
225.09155	5.1
226.06279	7.5
227.07054	5.6
227.10757	2.2
228.07841	4.9
229.04965	2.0
231.06490	3.1
235.07529	7.6
236.08231	1.8
237.09062	2.6
238.06273	4.1
238.09880	10.6
239.07079	24.3
239.10704	15.8
240.07788	12.2
241.04953	6.5
241.08624	14.3
243.06516	15.1
244.03595	2.3
249.09172	5.7
250.09909	2.0
251.07094	4.3
252.04131	2.4
252.07858	6.6
253.05130	2.2
253.08586	12.1
253.12259	7.6
254.05554	2.6
255.02898	13.0
255.06549	3.5
256.07361	19.0
256.10782	2.5
259.06055	4.7
266.09354	2.8
267.06558	5.1
267.10172	34.2
268.07336	22.3
268.10403	2.7
269.04733	3.4
269.08066	29.1
271.09698	5.7
271.13220	6.7
281.08170	7.1
281.11563	3.4
283.02588	2.7
283.06097	2.6
283.09717	3.1
284.06815	5.8
284.10446	10.4
285.11133	3.8
286.08414	9.8
287.05533	11.5
295.09711	11.3
296.10413	10.3
297.03928	3.4
299.09152	100.0
299.12784	20.5
300.02695	5.2
300.09229	3.0
312.10059	3.7
313.07251	3.2
313.10654	23.6
314.11575	2.5
315.05002	55.6
317.13876	2.8
327.09006	3.0
327.12289	74.3
329.06677	1.8
330.07309	16.9
344.05051	1.8
345.09659	86.5
345.13428	39.7
346.09866	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.0
57.03436	2.0
57.30734	0.9
61.02918	3.2
68.05032	1.0
69.03430	7.2
69.63823	4.0
69.64230	2.0
70.06577	1.8
72.08147	2.7
73.02922	2.1
80.54823	1.3
81.03412	2.9
82.06585	1.4
82.98535	1.0
84.04487	1.0
85.02918	9.1
86.09721	2.1
87.04477	2.7
87.68639	1.0
91.05470	3.4
92.05008	2.0
94.06522	1.3
97.02905	4.2
99.04443	1.4
101.00865	1.1
103.05466	1.0
109.02907	1.3
110.06054	1.5
110.07133	0.9
117.03358	2.0
118.06541	2.4
119.05043	1.2
119.06070	25.5
120.04462	4.2
120.05257	1.9
123.04424	1.2
127.03919	3.1
136.07614	1.3
137.06146	1.5
137.07104	6.5
145.02899	3.0
145.04961	1.3
147.04398	4.3
147.05556	9.3
148.03741	4.8
148.04808	4.0
148.06320	28.8
148.07513	1.4
149.07109	22.1
153.01871	1.7
161.95505	0.9
165.06616	100.0
166.05933	2.0
166.07399	4.6
177.05536	3.1
183.07666	59.1
184.06030	1.1
235.04738	1.1
309.06155	1.8
312.05075	1.1
327.07086	1.1
345.12946	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
51.28901	1.3
55.01822	1.1
55.05506	1.8
57.03423	1.1
64.92039	1.3
65.03935	4.9
70.54591	1.2
70.54929	4.1
75.80005	1.4
78.93132	1.0
83.04989	1.7
91.05491	2.9
93.03406	4.1
95.04961	2.6
96.02081	7.7
107.01354	1.5
111.03721	2.3
111.04446	28.4
115.05466	1.8
123.04417	7.4
127.94445	1.5
128.06232	1.4
129.07007	3.5
131.04884	1.5
136.27255	1.2
137.02333	1.6
139.03899	14.2
141.06973	3.0
144.05699	1.9
145.06483	5.3
147.04372	1.9
147.08072	1.4
151.03894	3.5
152.06239	1.7
153.05547	2.9
153.06998	4.2
157.06503	5.1
159.08095	6.7
160.08820	5.1
161.05959	7.5
161.09604	3.4
165.05666	1.4
165.06999	5.2
167.03406	7.2
167.08582	2.6
168.05716	5.8
169.06493	4.4
170.07198	1.6
171.08026	1.9
173.05989	2.1
178.07780	4.3
179.08601	7.6
181.06511	7.5
182.07217	2.8
183.04404	2.0
183.08058	3.9
185.06026	4.5
185.09613	2.1
187.07558	5.1
188.08328	9.4
189.07034	2.0
189.09023	2.9
191.08615	1.9
193.08624	3.3
195.08086	8.0
196.05229	3.8
196.08897	1.9
197.05974	5.4
197.09598	3.9
198.06784	18.6
199.07523	3.8
200.08287	2.2
206.07253	2.8
207.08076	6.6
208.08842	3.7
209.05936	4.6
210.06709	5.3
211.07562	13.7
211.11188	5.3
212.08240	2.5
213.05516	8.5
213.09053	4.7
215.07083	2.2
215.37657	1.6
221.06035	1.6
221.09608	3.5
223.07513	7.2
224.04756	2.9
224.08344	6.2
225.05505	3.3
225.09106	3.4
226.06282	10.4
227.07079	6.4
227.10727	1.4
228.07697	6.8
234.06853	1.5
235.07507	5.2
236.08313	3.9
237.05426	3.3
237.09090	4.1
238.06184	3.2
238.09917	11.5
239.07014	23.6
239.10643	14.1
239.65074	1.5
240.07831	10.1
241.04997	8.8
241.08585	18.9
242.05634	1.5
243.06573	18.0
249.09074	3.2
251.07144	3.2
252.07883	5.1
253.04967	3.6
253.08527	10.8
253.12222	5.3
254.05835	2.3
255.06554	3.4
255.10269	1.7
256.07358	21.2
256.10669	2.2
257.07999	1.9
258.08829	1.8
263.07120	2.3
265.08664	2.6
266.09308	2.8
267.06598	5.7
267.10159	33.5
268.07321	26.1
268.10440	2.3
269.08115	31.1
270.08917	1.8
271.09787	5.6
271.13245	7.4
281.08179	3.6
281.11710	5.6
283.09549	2.6
284.06870	3.9
284.10461	10.0
285.11267	2.3
286.08359	7.1
295.09741	9.2
296.10452	12.0
299.09222	100.0
299.12738	18.0
300.09573	3.4
309.11121	2.1
312.09738	2.5
313.10693	22.4
317.14041	1.8
327.12283	73.5
328.12567	1.9
345.13327	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2223
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.05502	0.7
58.89495	0.3
60.16409	0.4
62.06586	0.4
63.05844	0.4
67.05485	1.2
67.21330	0.4
69.07053	1.1
70.43833	0.3
74.82397	0.3
79.05502	5.1
80.05028	1.0
81.07083	1.7
82.06550	0.4
91.05497	4.2
93.07059	3.9
94.06544	0.5
95.08633	1.9
103.04819	0.6
103.05479	9.6
105.07039	3.6
107.04962	6.2
107.08614	1.8
108.08129	15.2
108.08880	0.7
109.08930	0.9
109.10127	0.7
110.09679	1.3
117.07034	0.4
119.08518	0.5
119.75337	0.4
120.08110	3.7
121.06533	0.8
122.09685	9.2
123.04423	0.4
123.10426	1.7
129.06976	0.5
130.06529	3.8
131.04951	5.4
131.08485	0.5
132.08118	2.0
133.10156	0.8
134.09668	0.7
135.11688	2.0
136.11240	5.0
137.13226	0.6
139.03882	1.0
140.04219	0.5
147.04422	0.4
148.11263	0.4
149.05925	0.7
150.12796	24.1
151.13580	6.4
152.10732	0.4
152.14351	3.9
153.12730	0.4
161.13191	0.4
162.09149	0.5
163.03908	0.3
164.14359	0.9
166.08652	0.7
166.12242	0.5
170.09619	0.9
175.03854	0.4
175.07597	0.5
180.10197	5.7
184.11121	0.4
194.11768	0.4
198.12715	0.4
200.14359	1.6
209.14148	0.4
226.15889	0.6
228.10220	1.2
230.11746	0.7
244.13374	0.7
246.11223	0.7
246.14909	1.4
254.19051	3.2
256.13376	1.0
258.15109	0.6
270.14908	3.0
298.18011	1.6
298.21097	0.4
300.19608	100.0
301.19986	3.0
302.21094	3.2
344.22244	54.2
345.13391	0.4
345.22604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74446	0.8
57.03437	1.0
61.02922	1.9
69.03436	4.6
70.03262	1.7
70.03677	1.9
81.03403	2.0
85.02435	1.3
85.02911	18.9
89.06017	1.1
91.05499	5.3
97.02882	3.2
101.75464	0.7
119.04952	18.3
123.04442	1.7
127.03922	2.8
145.04944	3.7
147.04419	100.0
148.04755	1.2
162.03331	0.8
165.05489	52.3
180.08665	1.6
351.94897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.9
69.82098	4.3
70.06574	1.1
70.52753	0.7
71.69538	0.9
84.08161	1.5
85.02901	1.1
98.06042	2.5
101.69460	0.9
112.07609	19.1
122.04533	1.6
125.47023	0.8
140.05559	13.4
140.06532	1.1
152.05594	1.4
154.03535	1.0
157.05887	1.6
158.06638	48.6
159.06802	0.9
170.06636	11.4
176.07695	14.9
182.05084	1.1
188.06009	1.2
188.07692	23.3
198.09708	1.0
200.07613	1.0
207.09770	1.3
212.07664	2.9
215.05142	19.5
225.10835	12.7
230.08826	0.9
233.06210	44.6
236.07628	0.9
238.09265	16.8
239.12450	1.7
240.07124	1.0
243.11913	3.4
249.93127	0.8
251.12428	56.3
252.12672	0.9
254.08571	1.0
256.07870	0.9
256.10342	2.6
263.12427	35.8
264.07141	1.4
269.13513	19.1
281.13474	100.0
282.08426	4.0
282.13611	2.2
308.06137	1.1
326.07111	1.8
344.09012	3.2
344.13129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01869	5.4
55.05515	13.4
56.96552	3.2
57.03430	6.0
57.07063	5.5
62.81659	1.8
64.68236	2.2
65.03941	6.2
66.35702	2.0
67.05504	33.8
68.99789	3.0
69.03415	8.8
69.07067	22.3
70.06600	4.5
71.04990	6.1
71.09905	3.7
71.10224	2.1
79.05500	21.0
81.03407	8.9
81.07057	59.8
81.70498	1.8
82.02020	1.7
83.04961	4.3
83.08614	9.2
85.02914	6.7
85.06524	10.5
86.14374	2.0
88.44582	1.9
91.05476	23.8
93.07045	29.3
95.04964	8.6
95.08605	49.1
97.02868	2.3
97.06509	8.1
97.10175	7.8
98.97577	19.5
99.08079	3.0
101.92345	1.9
103.05471	3.0
105.07043	17.8
107.04955	6.3
107.08590	28.1
109.02885	6.2
109.06520	3.1
109.10165	25.0
111.04498	2.1
111.08070	4.7
111.11746	2.8
113.09662	4.7
115.05442	6.1
115.81455	2.0
116.98618	5.4
117.07030	6.6
119.04946	10.0
119.08585	16.1
121.02870	3.9
121.06530	12.4
121.10165	16.6
123.04433	69.6
123.05328	4.4
123.11720	9.1
124.04760	2.9
125.09659	2.5
127.03912	2.1
128.06248	2.8
129.07002	3.2
131.04942	4.6
131.08580	4.8
133.10133	13.9
135.04402	6.6
135.08051	6.5
135.11728	16.9
137.02341	2.9
137.06006	10.1
137.09605	2.6
137.13249	7.0
139.03911	21.5
140.04665	3.6
143.08575	3.7
145.06470	4.4
145.10097	7.4
147.04413	38.4
147.11670	9.9
149.05968	6.0
149.13255	9.4
151.03896	6.4
151.14842	2.3
153.05458	5.1
158.99641	7.0
159.07999	2.8
159.11732	2.5
161.06010	5.7
161.13283	7.0
163.03880	9.1
163.07521	10.2
163.14862	3.7
165.05476	26.1
167.07076	5.1
173.05963	3.5
175.07568	24.8
175.14828	4.7
176.14330	2.7
177.00764	2.9
177.05499	3.9
177.16377	3.6
179.07004	2.4
181.01276	2.2
181.04968	37.3
181.06535	3.0
181.08496	4.3
181.12196	3.2
187.14836	2.1
189.09090	7.6
189.16257	3.3
191.03374	3.8
191.07025	100.0
192.07397	2.5
193.08620	4.1
195.08067	2.7
203.07021	3.3
209.09512	3.0
213.09109	2.8
214.17947	2.2
217.08662	2.2
221.08110	5.7
235.07256	2.4
237.09131	2.2
245.22528	2.1
247.06029	2.8
266.09866	4.3
266.60068	15.4
267.10184	6.1
283.09729	3.3
289.25281	6.6
297.11279	3.4
307.26215	3.7
315.12411	2.3
325.10315	6.8
325.14279	3.9
343.07947	3.5
343.11795	30.6
343.15616	6.6
344.22220	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97956	1.2
53.03935	4.1
55.01871	3.2
55.05268	1.7
55.05514	19.9
56.45437	1.3
57.03430	3.6
57.07059	2.3
58.99592	2.5
60.03553	1.1
63.66166	1.1
65.03933	3.3
67.05509	14.2
69.03429	3.6
69.07079	11.0
69.84618	3.4
69.85014	2.5
79.05507	12.7
80.05039	2.3
81.03407	5.3
81.07063	41.6
83.04980	2.3
83.08623	13.3
84.04501	1.9
85.02894	5.8
85.06554	6.0
86.09731	1.4
91.05483	11.5
93.03407	1.8
93.07050	15.7
95.04964	1.9
95.08613	24.6
97.02884	1.5
97.06514	3.0
97.10155	3.8
97.90591	1.3
99.08109	6.3
100.11262	100.0
102.39504	1.6
105.07049	10.3
107.04983	2.7
107.08604	10.9
109.02907	1.8
109.06510	2.0
109.10166	14.6
111.08081	2.6
111.11723	2.2
113.09641	1.6
114.03814	1.4
116.01710	7.4
117.06995	2.0
117.13891	1.9
119.04973	3.1
119.08596	10.0
121.06512	2.9
121.10155	10.1
123.04430	7.2
123.11687	5.5
125.06014	2.4
129.07025	2.6
129.79964	1.6
130.04999	1.8
131.08557	3.1
133.10114	3.1
135.04443	2.9
135.11690	6.4
137.05969	4.8
137.13297	2.1
139.03906	17.9
140.04671	3.2
142.03264	12.5
144.01163	2.6
145.10187	3.3
147.04417	3.9
147.11713	4.9
149.13248	5.1
151.03908	2.3
151.07530	2.0
153.01778	2.5
153.05476	1.5
155.07101	2.0
157.06496	1.8
159.08026	1.5
159.11699	2.3
161.06009	2.5
161.13268	3.7
162.02206	11.0
163.03876	5.6
163.11133	1.7
163.14844	2.7
165.05444	2.3
165.09154	2.0
167.06995	3.0
170.02757	6.9
173.07375	1.2
175.03908	4.2
175.07542	11.0
175.14859	2.6
177.16394	1.5
181.04967	33.5
181.06537	2.1
181.08531	3.2
189.09142	3.8
191.03442	3.8
191.07022	4.4
193.08618	6.0
207.06587	6.1
209.16516	13.3
215.17982	2.4
216.11595	1.3
217.08582	2.1
227.17540	3.4
229.06070	4.9
257.05576	2.6
271.24075	2.1
279.06656	1.5
285.11340	1.4
289.25241	4.1
300.09735	1.6
307.26184	2.5
325.10379	1.5
343.08212	1.7
343.11682	11.2
343.15833	1.9
343.30682	81.5
344.30988	2.3
352.08350	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53758	0.7
53.03952	4.1
54.55297	0.6
55.01864	2.1
55.05519	2.9
57.03430	1.5
65.03947	6.2
66.20233	0.6
66.22285	0.6
67.05513	5.9
68.99767	0.6
69.03438	7.7
69.07085	2.9
71.04726	1.0
71.05013	0.8
73.02923	0.8
79.05492	3.2
81.03426	16.2
81.07058	10.3
82.04199	1.7
83.04992	0.8
83.08614	1.8
85.02913	9.4
85.06547	1.8
91.05483	2.7
93.03412	1.9
93.07051	3.3
95.04955	3.1
95.08621	7.8
97.02899	2.6
97.06516	2.5
99.04456	1.9
99.08110	1.1
100.11266	10.4
105.07034	3.5
106.06598	0.8
107.04993	0.8
107.08600	5.0
108.02086	1.0
109.02889	6.6
109.10171	5.4
110.03671	2.4
111.04429	1.2
111.08076	1.6
115.05438	0.9
117.07089	0.9
119.04935	1.0
119.08581	2.4
121.10155	3.3
121.49464	0.6
123.04442	5.0
123.11710	2.7
125.06030	1.6
127.03926	1.9
131.04929	1.2
133.10126	1.0
135.11726	2.9
137.06015	2.7
138.03091	1.2
139.03937	1.5
140.04691	13.6
142.02620	2.0
147.04431	1.4
147.11682	1.2
149.06012	0.9
149.13246	2.7
151.11198	0.7
153.05412	2.9
155.07034	4.9
161.05969	2.9
161.13228	1.4
162.02303	0.6
163.03970	1.7
163.07570	1.5
163.14813	1.1
165.05426	0.8
165.12616	0.8
171.06570	3.3
175.07628	3.2
175.14828	1.0
181.04974	100.0
182.05363	2.3
189.16307	0.7
191.03403	0.6
191.07048	3.6
194.07120	0.6
199.06015	3.5
201.16457	0.8
203.18077	0.8
209.16548	0.8
221.06180	0.7
233.09622	1.0
265.08701	2.0
271.24072	0.7
282.08646	0.8
289.25314	1.8
293.11545	0.9
297.11328	2.0
299.12772	1.7
311.12598	1.6
325.09174	15.0
343.11606	1.3
343.15552	1.8
343.30740	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	343.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01866	1.0
55.05516	20.9
57.03428	2.5
57.07077	2.5
58.99587	1.4
59.53565	0.6
62.02176	0.6
65.03956	1.4
67.05510	10.0
68.99800	0.7
69.03421	1.4
69.07073	6.2
70.06598	0.9
71.05000	1.4
71.08635	0.6
71.50880	0.6
79.05491	5.8
80.05009	1.2
81.03426	2.9
81.07059	24.3
83.04959	0.8
83.08624	13.4
84.04519	1.1
85.02899	1.6
85.06557	4.1
87.02688	0.7
91.05473	5.6
93.07051	8.1
95.04979	2.8
95.08614	16.5
97.02892	0.9
97.06547	2.0
97.10165	2.3
98.09698	1.4
99.08097	3.3
100.11263	100.0
101.11591	1.7
105.07037	5.8
107.04974	1.1
107.08608	7.5
109.06571	0.8
109.10166	7.5
110.06031	0.6
111.04374	0.9
111.08095	1.5
113.09649	0.7
114.03796	1.0
116.01672	3.9
117.07057	1.4
117.13865	1.5
119.08587	4.3
121.06522	0.9
121.10155	6.1
123.04435	2.6
123.05248	0.7
123.11736	2.7
125.09613	0.9
127.08733	1.0
128.06195	1.0
131.04912	0.9
131.08589	1.5
133.10121	3.7
135.04428	1.0
135.11717	4.4
137.05995	3.3
137.13234	0.7
139.03928	9.6
139.08698	0.8
140.04651	1.6
142.03233	6.9
144.01170	1.7
145.10147	2.4
147.04422	0.9
147.11667	3.2
149.05998	1.0
149.13258	2.8
151.03914	1.1
152.14349	1.1
153.01871	1.2
155.49249	0.8
156.13855	1.0
159.11717	1.8
161.13271	2.1
162.02196	5.1
163.03893	3.5
163.11180	1.2
163.14835	1.7
165.09111	1.5
170.02763	1.9
175.07562	5.0
175.14859	1.0
177.05511	1.0
180.20782	0.7
181.04970	12.6
181.08615	1.1
181.12178	0.9
185.13722	0.9
189.09160	1.3
189.16466	1.2
191.03403	1.3
191.07082	2.0
193.08517	3.1
199.05510	0.7
201.16396	0.8
205.04553	0.7
209.16496	13.1
215.17958	1.0
217.08678	1.2
222.09676	0.6
226.19226	0.9
227.17619	5.8
229.06146	1.8
245.06020	0.9
257.05725	1.2
265.08444	0.8
270.19202	0.9
271.24298	0.8
277.25183	1.0
288.65079	0.7
289.25253	1.5
295.06027	1.0
299.09146	0.7
307.26334	1.1
317.85925	0.6
325.10440	2.2
343.08234	1.0
343.11789	6.0
343.30716	82.6
344.30899	1.9
344.99292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	7.8
55.01860	10.4
55.05510	26.0
57.03440	11.1
57.07065	8.1
59.04999	5.6
65.03930	5.5
67.05178	3.0
67.05505	33.9
69.03419	9.8
69.07069	10.9
71.04993	24.9
71.51234	2.8
79.05495	31.9
81.03420	5.0
81.07057	46.4
83.04976	8.2
85.06525	4.8
91.05485	50.4
93.07050	82.2
94.20908	2.0
95.04969	58.3
95.08611	100.0
97.06525	17.4
103.05485	3.8
105.07037	92.0
107.04971	7.9
107.08603	54.6
107.89344	2.3
109.06518	15.7
109.10168	6.1
115.05448	9.0
117.07017	39.4
119.08580	35.0
121.06498	22.1
121.10145	23.9
123.08053	31.0
125.06006	3.6
128.06232	5.2
129.07001	9.9
130.07802	18.3
131.08575	14.4
133.06483	7.4
133.10136	21.4
134.29935	2.6
135.08060	28.2
135.11699	20.3
137.05936	3.5
137.09598	7.9
143.08528	14.2
145.06586	3.3
145.10130	94.8
147.08057	20.1
147.11662	8.9
149.09628	6.9
151.07536	44.6
155.08545	4.4
157.10153	12.7
159.08113	3.1
159.11699	12.4
161.09607	8.1
161.13283	7.4
163.11183	65.0
165.09102	15.3
166.07811	2.5
167.08498	2.3
169.10152	4.4
170.10855	2.5
171.11700	7.7
173.09616	3.0
173.13297	5.3
175.11194	4.0
177.09129	6.8
179.07027	5.6
183.11705	5.1
185.13304	3.8
187.11201	6.2
189.12706	12.1
191.14426	2.9
197.13315	3.2
199.14848	3.7
201.12744	3.8
203.14304	10.3
207.13828	7.0
209.15318	5.3
215.14151	2.9
221.15390	32.4
233.15413	2.8
240.23073	2.5
241.15936	2.9
243.13799	3.8
263.16415	9.5
269.15311	3.9
286.19330	5.2
287.16510	3.6
287.19791	3.0
307.20563	5.3
325.21686	8.8
343.22690	91.3
343.26401	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03952	6.8
55.01877	7.6
55.05513	19.0
57.03428	10.4
57.07071	13.4
58.52385	3.3
59.04988	7.3
67.05513	36.3
69.03420	12.1
69.07064	9.8
69.85337	8.7
69.85734	6.9
71.04993	28.6
77.03940	5.0
79.05503	28.8
81.03435	4.3
81.07066	33.5
83.05005	5.0
85.06541	7.5
91.05486	45.6
93.07053	86.7
95.04976	65.0
95.08615	88.1
97.06526	14.9
103.05476	4.0
105.07040	90.7
107.04953	6.5
107.08604	63.8
109.06513	13.4
109.10154	7.0
115.05431	6.1
117.07036	36.0
117.19164	3.2
119.08598	34.9
121.06498	18.3
121.10156	16.8
123.08078	37.5
128.06256	4.0
129.06996	5.6
130.07805	18.3
131.08578	12.5
133.06540	7.4
133.10130	19.7
135.08058	31.3
135.11703	19.1
137.09642	6.6
143.08563	13.1
145.10129	97.3
147.08054	15.7
147.11694	7.4
149.09607	9.5
151.07555	57.3
154.07523	3.4
157.10155	18.6
157.11311	3.7
159.08084	5.1
159.11713	14.6
161.09665	11.9
163.11186	82.3
165.09123	20.7
171.11671	7.3
173.09642	7.6
173.13245	4.7
175.11150	4.9
177.09108	8.3
179.06979	3.6
183.11696	4.7
185.13339	5.4
187.11157	6.3
189.12794	13.1
197.13304	7.1
203.14383	11.4
207.13831	7.6
209.13319	5.0
221.15395	37.5
286.19241	6.8
325.21796	16.9
343.22699	100.0
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
50.14392	4.3
53.03940	5.0
55.01867	10.3
55.05523	20.6
57.03430	11.4
57.07061	4.9
64.46400	5.0
67.05504	27.9
69.03421	14.7
69.07060	8.0
70.76151	12.8
71.05000	21.8
72.51775	4.8
79.05502	36.7
81.07057	36.2
83.04969	5.0
85.06529	7.7
90.45035	3.9
91.05476	41.0
93.07055	90.9
95.04979	55.4
95.08614	89.7
97.06544	23.6
105.07039	96.9
107.08599	65.2
109.06519	16.4
109.10143	5.9
115.05473	8.3
117.07010	35.3
119.08596	35.3
121.06512	19.9
121.10134	20.0
123.08091	36.8
129.07002	10.7
130.07796	18.4
131.08583	12.2
132.54344	4.8
133.06448	6.7
133.10147	19.3
135.08083	31.6
135.11691	20.3
137.09618	10.2
143.08533	17.0
145.10139	100.0
147.08093	24.2
147.11748	6.2
149.09650	8.3
151.07547	69.2
156.09306	5.1
157.10179	17.6
159.11690	9.4
161.09612	12.4
161.13269	5.1
163.11189	78.2
165.09108	22.4
171.11781	9.0
173.13240	4.2
175.11156	7.0
177.09149	10.5
179.07071	6.5
189.12733	10.5
199.05994	4.5
203.14294	10.3
207.10051	5.4
209.15387	5.8
221.15341	38.4
297.38211	4.7
325.21603	16.2
343.18762	7.8
343.22696	95.1
348.05475	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
53.90264	1.8
55.01863	3.3
55.05494	8.0
55.05740	2.4
57.03420	7.1
65.03934	6.2
67.05505	21.1
68.99787	3.0
69.03439	16.8
69.07057	9.4
70.02595	3.3
70.02957	56.4
70.06578	3.9
71.04980	8.1
71.51541	2.8
71.51927	2.7
72.08144	2.9
73.02888	2.7
74.02435	22.6
79.05498	18.6
81.03413	14.2
81.07063	51.3
83.04965	6.8
83.08614	5.1
84.04488	6.0
84.08125	2.4
84.62698	2.1
85.02907	33.7
85.06538	5.7
86.09688	2.1
87.05598	88.8
88.03995	71.7
91.05472	21.9
93.07055	16.9
95.04988	17.7
95.08620	15.5
96.66723	2.0
97.02891	11.2
97.06519	10.9
97.10015	2.0
98.09691	5.2
99.04458	3.3
100.11242	3.4
102.05518	2.2
103.05431	3.3
105.07035	32.6
107.04946	5.9
107.08608	21.1
109.02882	5.8
109.06545	5.3
109.10153	5.2
115.05108	2.3
116.03439	9.2
117.07005	4.9
119.08593	24.1
121.06470	6.6
121.10151	18.5
123.04433	15.9
123.08049	3.3
123.11697	11.2
124.03967	2.6
125.05993	17.4
127.03901	6.1
128.06232	3.2
129.06969	4.9
130.05046	4.6
131.04926	4.9
131.08556	2.2
133.06096	100.0
133.10130	4.1
135.04401	6.3
135.08046	2.5
135.11684	3.6
137.05962	6.3
137.13239	3.7
139.03931	29.1
140.04660	5.2
142.02589	2.6
143.08528	3.0
145.04938	8.1
145.06575	2.8
145.10091	8.1
147.04393	9.2
147.07872	2.5
147.11694	43.6
148.06070	4.2
148.15933	1.9
149.04243	2.1
149.05988	4.8
149.13277	5.4
151.03877	3.6
151.07567	2.4
153.01801	3.2
153.05431	4.1
161.05975	5.0
161.13316	2.0
163.03946	11.6
163.11188	46.6
165.05441	3.6
165.12764	38.1
167.06941	2.7
175.07542	32.0
175.11145	2.9
179.14323	3.2
181.04958	62.0
181.08585	5.4
181.12268	14.9
183.13742	4.0
189.09138	6.1
190.15894	13.5
191.03360	17.5
191.07030	8.9
192.13805	4.0
193.08626	5.0
193.12218	4.2
199.05966	2.2
210.14915	2.8
217.08540	3.0
229.14372	5.2
234.14885	5.8
252.15881	4.9
262.14401	6.9
267.29510	2.1
279.17059	35.5
280.15457	55.7
297.07913	2.9
297.11340	2.5
307.16470	13.4
308.14954	9.9
325.09906	4.1
326.16083	4.5
343.08270	3.8
343.11691	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01868	5.2
55.05506	8.2
56.96531	2.2
57.03421	8.1
57.07068	4.4
61.02908	6.6
65.03950	5.4
65.97303	2.0
67.05503	22.6
68.99820	2.4
69.03436	19.2
69.07069	11.2
70.02592	4.0
70.02956	53.5
70.06591	5.1
71.03281	6.0
71.04980	6.4
72.08148	2.7
73.02925	4.2
74.02443	28.0
79.05495	23.8
81.03433	22.1
81.06596	3.3
81.07059	62.9
83.04974	12.1
83.08617	5.6
84.04493	10.9
85.02906	62.9
85.06527	5.7
87.04468	3.0
87.05595	87.6
88.03995	71.7
88.04542	3.2
91.05481	24.0
93.07049	17.7
95.04967	28.1
95.08604	19.7
97.02898	17.8
97.06528	14.8
98.09682	2.9
99.04435	4.8
103.05476	3.3
105.07032	31.9
107.04964	6.8
107.08595	27.5
109.02853	6.3
109.06493	6.7
109.10126	8.3
111.04393	3.9
115.05002	3.1
116.03440	9.9
116.17250	2.1
117.07016	5.2
119.04934	4.7
119.08580	26.3
121.06470	6.5
121.10151	28.2
123.04437	18.1
123.08076	4.0
123.11694	16.2
125.06009	26.6
125.12320	2.1
127.03918	13.2
127.07474	2.5
129.06969	7.1
130.04994	10.0
131.04926	5.8
131.08537	2.9
133.06088	100.0
133.10101	4.9
135.04405	5.2
135.11678	7.4
137.05989	13.0
137.13235	3.3
139.03914	37.9
140.04663	6.5
145.04956	12.0
145.10146	14.5
147.04396	7.9
147.07690	3.7
147.11693	43.1
148.06038	3.2
149.05948	6.6
149.13266	4.6
151.03891	3.2
151.07567	4.1
153.01729	2.7
153.05443	9.0
155.07056	3.6
157.06467	3.0
157.10168	3.9
161.05986	5.6
161.09540	3.0
161.13292	2.6
163.03908	16.2
163.07483	3.0
163.11182	82.9
165.05406	5.4
165.09128	5.5
165.12758	42.0
167.07013	7.5
172.13243	4.6
175.07544	43.4
175.11066	3.6
179.14238	2.7
181.04956	56.2
181.06487	5.6
181.08595	7.3
181.12210	25.5
189.09125	8.6
190.15939	12.5
191.03368	14.5
191.07013	10.7
191.10664	2.4
193.08611	6.5
193.12207	6.6
193.80963	2.8
199.07567	2.8
205.08598	3.0
213.05519	3.2
217.08655	4.3
217.12234	2.5
229.14381	4.8
234.14891	3.9
252.15935	4.4
262.14307	7.9
279.17078	32.5
280.15424	51.4
283.09479	3.3
299.09167	2.5
307.16537	8.7
308.14960	4.7
325.10727	3.3
325.17215	2.8
343.08057	4.8
343.11722	23.8
343.18594	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	343.1179
Annotation	Methylophiopogonanone A
Peak:m/z	Relative Intensity
53.03945	2.1
55.01878	3.1
55.05514	6.1
57.03437	2.0
58.41713	0.7
61.13046	0.7
62.17014	0.6
62.80324	0.8
63.60613	0.7
65.03944	3.3
67.05511	4.1
67.44345	0.8
68.99792	3.1
69.03432	3.4
69.07060	0.7
70.06587	1.1
71.04987	1.7
71.50850	0.6
72.79835	0.8
77.03940	1.0
78.04724	0.8
79.05507	4.9
81.03408	5.2
81.07069	2.0
82.04170	1.1
83.01332	1.2
83.04972	1.7
83.08631	0.7
85.02905	3.4
85.73492	0.6
89.03938	1.3
91.05476	9.1
93.03399	2.0
93.07059	2.1
95.04976	6.4
95.08617	2.2
97.02895	2.6
97.06537	2.7
103.05485	1.6
105.03400	1.0
105.07041	2.9
105.08525	0.7
106.04206	0.8
107.04968	7.0
107.08571	0.9
109.02892	2.0
111.00818	1.6
111.04446	4.5
115.05469	2.4
117.03399	1.5
117.07038	1.4
119.04933	1.7
119.08586	3.4
120.05775	0.9
121.02856	2.4
121.06493	3.4
123.04437	40.8
125.05988	1.0
127.03920	1.2
128.06245	2.2
129.07008	5.1
131.04973	3.1
131.08585	3.0
132.05756	0.7
133.06505	4.4
133.10173	0.9
134.03638	2.7
135.04408	6.4
135.08076	1.5
139.03912	100.0
140.04657	3.3
141.06961	2.2
142.02606	0.9
143.04970	1.5
143.08562	1.8
144.05737	1.3
145.02867	2.0
145.06500	3.2
147.04410	6.0
147.08061	6.8
148.05167	1.2
149.02356	0.8
149.05972	2.6
150.03102	0.8
151.03917	9.1
153.05447	1.2
155.07080	1.6
157.06529	2.6
159.04384	1.3
159.08017	3.5
160.05209	2.2
161.06004	3.9
161.09694	1.4
163.03918	90.9
165.07011	1.6
167.03398	1.2
169.06511	1.4
171.06731	1.0
171.08070	3.2
173.05956	1.9
175.07562	57.1
176.04697	3.9
176.08200	1.3
177.05563	0.9
177.09117	18.4
181.04967	27.9
181.06290	1.0
185.09657	1.6
187.03928	2.9
187.07518	1.2
189.05443	0.9
189.09093	4.6
191.07152	1.6
197.06007	2.8
199.05937	1.2
199.07541	1.9
201.05479	1.1
203.10680	0.9
205.04936	0.9
205.08614	24.3
213.09085	2.3
217.08624	10.2
225.05539	1.5
229.05029	1.7
231.10139	1.2
239.07199	0.9
241.04845	0.9
241.08661	2.8
243.06450	1.6
247.05992	1.3
253.05055	1.5
259.09689	4.1
269.08279	2.1
271.06052	2.0
285.07791	1.1
289.07019	1.2
293.15787	0.7
299.09283	2.0
300.19678	0.9
301.07092	71.4
302.07489	1.7
325.10422	3.0
325.14282	0.9
343.11777	76.5
344.12262	1.6
362.75235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.118
Annotation	Methylophiopogonanone A
Peak:m/z	Relative Intensity
53.03941	2.5
53.83342	0.6
55.01869	3.7
55.05508	4.8
57.03434	2.4
65.03951	4.3
67.05511	4.4
68.99796	3.0
69.03442	3.3
69.07047	0.9
70.06588	0.9
71.04991	2.1
71.51131	0.8
71.51501	0.7
78.04678	0.7
79.05503	4.9
81.03432	4.7
81.07054	1.5
83.01344	0.8
83.04986	1.6
85.02901	3.2
89.03920	0.7
91.05487	9.5
93.03391	1.7
93.07041	1.9
95.04977	7.4
95.08594	1.9
97.02892	2.0
97.06538	3.6
97.07092	0.6
99.04508	0.7
103.05460	2.9
105.03433	1.0
105.07055	3.2
106.04229	0.9
107.04964	7.0
107.08615	1.4
109.02901	2.2
109.10198	0.7
110.03692	1.2
111.00832	1.6
111.04485	4.4
115.05462	2.4
117.03419	2.0
117.07026	1.9
119.04952	1.6
119.08624	2.7
121.02865	1.9
121.06537	3.9
123.04441	42.1
125.05947	1.4
127.03940	0.9
128.06218	2.9
129.07034	4.4
131.04950	2.8
131.08580	2.6
132.05757	1.3
133.06470	4.1
133.10156	1.2
134.03665	2.2
135.04428	5.1
135.08028	1.6
137.05974	1.7
138.03102	0.8
139.03912	100.0
140.04643	3.0
141.07034	1.8
142.02635	0.8
144.05690	1.7
145.02890	3.1
145.06497	2.8
145.10115	0.9
146.03712	0.8
147.04405	4.9
147.08055	6.8
149.02376	1.3
149.05998	2.8
151.03911	8.2
153.05496	1.7
153.06969	0.6
155.07108	1.6
157.06497	3.5
159.04449	1.4
159.08058	4.1
159.41762	0.7
160.05234	1.5
161.05986	6.5
161.09587	0.8
163.03920	87.2
164.04364	0.8
167.03432	1.9
169.06523	1.6
171.06616	0.9
171.07941	1.4
173.06009	1.9
174.06647	0.7
175.07564	50.1
176.04715	2.7
176.08267	1.8
177.05516	1.3
177.07637	1.4
177.09120	16.3
179.03461	1.4
181.04976	27.8
181.06319	1.1
181.08586	0.8
184.05061	0.7
185.05998	0.9
185.09625	1.0
187.03929	2.9
187.07529	0.9
188.04651	0.9
189.05391	1.1
189.09183	3.6
191.03479	1.1
191.07040	2.0
193.08638	0.9
195.08301	0.8
197.06006	2.9
199.07581	2.1
200.04807	1.0
203.07068	1.1
203.10719	0.8
205.04811	0.9
205.08618	22.3
209.06134	1.0
213.05513	1.2
213.09119	1.2
215.07054	1.1
217.08632	8.2
225.05524	0.7
226.06294	0.9
229.05080	2.1
231.10196	1.3
241.08730	2.2
243.06418	1.0
245.04610	0.7
251.07234	1.0
253.04901	1.9
259.09650	2.6
269.08231	2.0
271.06177	1.5
283.09912	1.0
287.09055	0.7
296.10327	0.7
299.09204	1.8
301.07089	64.1
302.07550	1.1
325.09750	2.2
325.14340	0.9
343.11789	65.4
343.14774	2.9
344.12183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1027
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03955	3.7
53.20925	0.4
55.01866	1.4
55.05491	1.5
57.03423	1.4
65.03940	5.8
67.05510	3.7
69.03431	7.7
69.07058	1.7
71.04974	1.5
71.24177	1.1
73.02912	0.7
79.05488	2.2
81.03424	17.8
81.07068	6.2
82.04203	2.9
83.04979	0.7
85.02910	9.5
85.06549	0.8
91.05489	1.9
93.03420	1.1
93.07053	2.8
95.04976	3.8
95.08619	4.0
97.02894	2.3
97.06519	2.2
99.04436	2.0
100.11264	4.1
103.05462	0.8
105.07027	1.6
107.08582	2.4
108.02103	1.0
109.02895	5.3
109.10154	2.2
110.03658	2.4
111.04464	1.0
111.08064	0.9
118.61082	0.6
119.08577	2.1
121.10146	2.3
123.00794	0.6
123.04439	5.8
123.11687	1.0
125.02360	1.1
125.06006	1.5
127.03916	2.2
131.04895	0.8
133.10158	0.8
135.04410	0.8
135.11684	1.6
137.05992	2.3
138.03107	1.4
139.03925	2.6
140.04694	14.5
142.02638	2.4
147.04440	1.7
147.11523	0.5
149.05919	0.6
149.13286	0.9
151.04013	0.6
151.11142	0.7
153.05504	2.7
155.07022	5.1
161.06003	4.1
161.13235	1.0
163.03946	1.5
163.07553	1.5
163.14915	0.8
165.05482	1.1
165.09171	0.5
171.06508	2.6
175.07549	3.7
175.14847	0.8
181.04973	100.0
182.05290	0.8
191.07054	3.7
199.06058	4.2
218.07349	0.7
224.08231	0.6
233.09653	0.7
235.07434	0.6
261.09109	0.7
265.08627	2.1
265.12488	0.7
289.25067	0.8
293.11707	1.5
296.10568	0.6
297.11209	2.6
297.14740	0.5
298.83609	0.6
299.12799	1.7
307.26419	0.6
311.12827	2.1
325.09167	12.8
325.14041	1.1
337.91824	0.5
337.95874	0.6
343.11478	1.8
343.15509	2.7
343.30887	3.0
359.65326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	1.3
58.99863	1.5
67.05498	2.1
69.03415	1.3
69.21770	10.2
70.06578	1.7
71.04988	1.2
77.00901	1.1
77.77599	0.9
81.03383	1.3
84.08128	1.6
85.02880	1.0
98.97588	1.2
101.00883	2.1
107.03402	1.3
113.00848	1.5
115.02384	2.8
119.01920	2.4
129.03952	3.8
129.05446	1.0
131.01845	3.9
139.02481	1.1
139.03819	1.1
140.98830	1.5
143.01855	1.1
145.03433	3.4
147.01309	1.1
147.04224	1.5
147.05107	1.4
153.03976	2.6
155.05505	2.5
157.03471	2.1
157.04884	2.4
158.99878	4.2
159.04958	1.3
161.02962	1.4
163.04448	1.2
169.03477	2.8
171.05035	10.6
173.02930	2.8
173.06488	1.8
177.00961	24.4
177.05602	1.2
179.00578	2.4
181.03458	2.8
182.94336	1.3
182.99873	1.2
183.04965	1.7
185.02927	2.0
185.04422	4.4
187.04523	3.9
189.06075	5.2
190.94821	1.2
191.03969	1.4
193.01981	1.0
197.02859	3.4
197.06558	1.7
199.04561	5.7
201.00949	4.2
203.02393	2.2
208.95857	2.1
211.02928	4.0
215.04097	6.5
217.01958	1.2
219.02002	42.1
220.01915	1.4
221.01775	1.3
225.02554	1.0
227.02425	2.0
229.03958	5.8
230.08739	1.0
231.01971	1.3
232.95813	1.2
235.03201	1.4
243.03523	9.8
245.03471	9.5
247.05170	10.9
251.02328	1.6
253.04092	13.2
255.01967	1.8
261.04584	45.9
269.03400	11.2
271.05115	11.5
273.02991	4.2
279.01993	1.4
279.05426	3.1
281.03592	3.3
282.99884	2.1
287.04651	2.0
291.03915	1.1
296.99957	1.7
297.02988	19.6
299.04568	7.2
301.02765	5.5
307.01218	2.2
307.04617	1.1
311.02164	1.0
313.26993	1.1
315.04089	27.3
317.05621	1.5
319.03412	1.2
325.02545	10.2
325.07434	1.5
329.03369	2.5
333.06516	2.2
343.03580	100.0
344.03653	3.5
361.05316	1.9
362.04111	1.1
366.05124	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	343.021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59731	1.2
57.69058	1.2
60.87754	1.2
63.82772	1.3
66.19416	1.1
67.44155	1.6
68.16407	1.4
69.83866	2.2
69.84164	7.3
71.82861	1.4
94.70280	1.2
98.97603	2.2
109.49435	1.3
127.03607	1.3
174.74155	1.4
177.00932	4.6
198.43268	1.4
198.97937	2.0
216.98900	8.8
219.02003	10.4
235.00034	6.8
240.96568	2.3
240.98878	15.3
243.02007	2.4
257.41910	1.4
259.00027	29.2
260.00183	2.3
261.02994	10.3
264.98837	3.6
273.98523	1.5
276.98441	2.2
277.00998	9.5
283.00015	100.0
284.00070	9.6
300.97940	3.4
301.01062	84.8
302.01160	5.7
319.02051	2.3
325.01001	18.3
326.00961	1.8
343.02115	68.5
344.02307	6.1
361.03229	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43001	2.7
55.01852	5.1
55.05511	54.8
56.95061	3.0
57.07074	3.3
60.04505	5.7
67.05505	18.2
69.03430	5.9
69.07075	17.3
71.51493	5.6
79.05507	38.2
81.07061	20.9
83.04984	3.3
83.08621	29.4
91.05471	12.6
93.07027	19.6
95.08587	10.1
97.06531	4.8
97.10180	68.6
105.07043	18.3
107.05005	3.0
107.08602	97.4
109.06509	6.4
109.10130	4.7
111.08082	3.8
119.08578	10.3
121.10211	3.3
125.09645	76.3
131.08566	5.5
133.10109	5.7
135.08098	15.9
145.10136	15.0
147.11635	5.2
149.09653	6.2
153.09125	11.8
157.12305	4.5
159.11719	6.1
161.13252	3.6
181.12320	4.2
203.12799	100.0
239.17929	4.4
257.18979	9.2
275.20038	30.6
289.21640	15.3
307.22574	7.4
343.22485	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.01867	3.9
55.05518	18.6
57.03442	5.8
57.07063	6.8
63.28620	2.8
66.12167	2.6
67.05241	2.6
67.05511	35.6
69.03431	8.1
69.06731	3.7
69.07074	51.0
69.35991	2.6
70.06591	6.9
71.04987	8.3
71.28838	2.9
71.51872	5.1
72.12692	2.8
79.05502	33.3
81.03398	3.0
81.06592	5.6
81.07063	100.0
83.04980	7.2
83.08612	11.8
84.04530	7.1
84.08152	3.5
85.02885	4.0
85.06553	19.5
91.05479	31.4
93.07055	69.9
95.04975	13.0
95.08614	65.2
97.02892	6.6
97.06520	11.5
97.10186	6.9
99.04442	4.0
99.08103	16.3
100.11265	6.5
103.05450	2.7
105.04537	3.7
105.07047	33.8
107.04969	5.5
107.08612	37.6
107.99279	3.1
108.08128	6.3
109.06540	8.6
109.10149	29.6
110.06057	2.9
111.08121	13.4
111.11705	3.8
114.10306	6.5
117.07030	7.4
119.08585	23.0
121.06506	9.4
121.10163	37.8
122.06059	4.6
123.04439	8.3
123.08063	4.4
123.11742	24.5
125.09637	8.6
127.07565	4.5
127.11210	4.1
129.07008	3.5
131.04932	5.2
131.08563	9.4
132.05666	4.3
133.06479	2.9
133.10162	17.3
135.08040	4.0
135.10782	3.3
135.11685	16.1
137.05992	13.7
137.09604	9.3
139.03876	9.0
139.11185	8.2
143.08536	4.8
145.10121	12.3
147.04405	6.3
147.08066	6.0
147.11667	12.2
149.05975	4.9
149.09619	5.4
149.13239	9.0
150.12840	3.6
151.03990	4.5
151.11148	5.0
157.10179	4.8
159.07971	2.6
159.11722	8.7
161.05939	12.1
161.13289	8.0
163.03862	3.2
163.07495	4.1
163.14796	3.9
165.06859	3.7
165.09178	2.7
167.07037	5.1
173.13191	4.7
174.06786	4.2
175.07574	10.2
175.14751	4.4
177.16367	4.2
181.04750	2.9
187.07552	3.9
187.14867	4.9
189.05508	5.4
189.09100	4.7
190.94138	2.9
199.14778	3.1
206.07471	3.1
213.16521	3.7
217.08569	2.9
235.07344	3.5
257.11368	3.1
275.23730	4.7
281.11487	3.2
287.23703	13.1
297.11334	4.5
297.18942	20.8
305.24673	10.6
309.11154	4.6
323.12817	4.4
323.25604	7.9
341.10214	8.8
341.15521	28.4
341.21521	18.3
341.26807	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	341.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86831	2.7
53.03948	4.3
55.01887	5.8
55.05518	23.2
56.46947	2.2
57.03425	4.2
57.07067	4.8
67.05510	40.5
69.03430	10.3
69.07073	39.6
70.06577	4.4
71.04991	7.3
71.50650	3.3
73.04742	2.5
79.05494	30.8
81.03434	3.6
81.07059	100.0
82.06587	3.9
83.04987	7.0
83.08615	11.1
84.04514	3.5
84.08167	3.1
85.06537	18.9
86.06084	3.0
91.05469	29.5
93.07049	66.5
95.04971	15.2
95.08613	58.3
97.02898	3.9
97.06534	10.2
97.10178	5.1
99.04462	4.4
99.08114	10.8
100.11260	5.9
103.05468	2.6
105.07046	28.8
107.04969	6.1
107.08598	25.9
108.08108	4.4
109.06550	8.5
109.08464	2.9
109.10167	34.3
110.06061	4.4
111.04459	4.0
111.08094	10.2
111.11709	7.5
111.26275	2.3
113.06032	2.3
114.10295	5.9
115.05460	5.1
117.07008	8.7
119.08586	23.7
121.06564	6.3
121.10137	37.0
122.06059	3.1
123.04447	8.1
123.08088	5.0
123.11724	28.9
125.09633	7.9
129.07033	6.1
130.05066	3.6
131.04947	2.9
131.08551	13.6
133.06528	2.9
133.10124	18.6
135.08000	2.7
135.11708	13.3
137.05994	9.9
137.09633	6.0
137.13257	5.7
139.03880	15.6
139.11195	10.9
140.07091	3.0
140.10698	3.2
143.08557	3.0
145.06453	3.3
145.10152	8.1
147.04408	6.3
147.11694	12.8
149.05978	4.7
149.09618	3.6
149.13269	8.3
150.12807	4.0
151.03893	3.3
151.11226	3.7
151.13177	3.7
153.14772	2.7
155.08876	2.7
157.10141	3.8
159.11707	14.0
161.05988	9.6
161.09663	3.3
161.13280	10.2
163.03909	4.2
163.11180	3.8
164.53191	2.4
165.09128	3.2
165.12834	3.4
167.07004	3.2
167.10742	2.4
171.08054	2.8
172.09698	3.9
173.06055	3.3
173.13319	3.1
174.06789	3.6
175.07573	6.7
175.14836	6.0
177.12845	4.8
177.16306	2.4
179.03482	4.2
185.13147	3.6
187.07561	4.4
187.14781	3.5
189.05475	4.7
189.09103	8.2
189.16423	5.1
193.15912	2.7
201.05412	3.5
203.06964	4.1
213.16527	3.8
227.59254	2.7
235.07582	3.3
249.09456	4.6
267.10477	3.0
277.21289	2.8
285.07578	2.5
285.11682	2.8
287.23691	9.1
291.10336	3.7
295.09650	3.7
297.11270	5.3
297.18848	22.0
305.24768	8.5
309.07935	3.2
309.11322	6.6
323.25760	9.1
341.10187	9.2
341.15445	30.9
341.21442	20.0
341.26517	5.7
354.67545	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	341.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50057	0.9
52.53690	1.0
54.56292	1.1
56.96578	1.1
57.03419	1.7
67.05482	1.0
69.03418	3.8
69.07074	1.2
70.02081	1.2
70.02370	4.8
70.06595	2.8
72.08152	1.7
72.91034	1.1
73.04747	1.8
81.03411	1.9
84.08142	3.2
85.02917	6.0
87.04429	1.0
91.05822	2.0
97.02895	3.3
98.06071	1.9
98.20777	1.3
98.97599	1.2
101.00933	1.0
109.02885	1.0
110.07126	1.0
112.07613	23.6
113.07882	1.1
115.03954	1.2
119.01897	1.2
121.01637	1.8
127.03873	1.4
131.01926	2.0
133.01649	1.6
137.06015	2.4
140.05554	6.4
145.01709	1.0
147.04390	1.2
153.01819	2.4
155.01933	1.3
158.06651	32.7
161.03001	1.1
161.06995	1.2
169.03467	1.5
170.06627	6.1
173.02953	1.1
176.07709	12.9
177.07846	1.1
179.03343	1.6
185.02916	1.1
188.07703	14.6
189.07802	1.9
199.02730	4.1
199.04434	1.0
200.07626	1.3
203.03990	1.8
212.07697	38.5
213.07875	1.2
215.02267	3.3
220.52373	1.1
221.05023	1.2
222.09717	2.5
225.10870	13.8
230.08766	22.5
237.02634	2.1
239.02249	1.5
239.12560	1.9
243.11946	3.9
251.02185	1.8
251.12434	64.2
253.66582	1.1
255.03543	1.6
257.03217	3.1
263.12427	40.4
269.03336	3.0
269.13492	23.4
269.16367	1.4
278.08615	2.1
281.03156	1.9
281.13489	100.0
282.13721	3.2
283.04919	1.3
293.10596	1.2
294.11096	1.2
294.89978	1.6
295.89270	2.1
299.04309	2.5
309.04669	3.4
324.09351	4.6
341.01297	1.2
341.05319	13.0
342.10358	1.7
359.02710	2.6
359.06540	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	341.1388
Annotation	(2,4-cis)-4,5,6-Trimethoxy-[2'',3'':7,8]furanoflavan
Peak:m/z	Relative Intensity
55.05494	1.2
63.94787	0.4
67.05477	0.7
69.03417	0.4
69.07062	0.9
70.85424	0.8
70.85759	0.4
71.74953	0.4
73.04746	0.4
79.05466	0.6
81.07049	1.4
83.08604	0.7
91.05440	0.7
93.07030	0.8
95.05004	0.6
95.08620	0.7
100.11254	1.7
103.05483	0.4
105.07018	0.8
107.04952	0.8
107.08564	0.8
108.60595	0.4
109.06516	0.4
109.10164	0.4
111.04403	0.7
111.08051	0.4
114.09145	0.7
115.05417	0.6
119.08579	0.5
119.15004	0.4
121.02892	0.6
123.04494	0.7
123.60546	0.4
125.05962	0.7
129.07068	0.7
131.04900	0.4
133.06577	0.5
135.07996	0.4
137.05952	1.7
139.03915	0.8
145.10170	0.5
147.04437	0.5
149.02351	0.4
149.05984	0.6
153.05511	0.7
153.06961	0.6
154.74454	0.4
158.95930	0.5
161.05928	0.7
163.03941	0.4
165.06967	2.6
166.07770	2.5
171.38094	0.4
175.07504	0.8
177.05531	0.4
178.07785	1.5
179.03433	0.8
179.08582	1.0
181.04942	0.9
181.06506	1.0
182.15454	0.4
187.07568	1.0
189.05475	0.9
191.06989	0.8
191.08611	0.8
192.09453	0.8
193.06454	0.7
194.07292	5.6
195.08078	1.3
196.08934	0.4
202.07730	0.5
205.06461	1.4
206.07248	1.9
207.07986	1.1
209.06020	1.0
209.09647	4.4
210.06821	0.7
210.14789	0.8
211.07634	0.8
218.07268	0.5
219.08063	0.6
220.08807	0.9
221.06038	2.0
221.09697	0.8
222.06763	17.1
223.07579	2.0
224.08322	0.8
227.06921	0.4
227.67575	0.5
231.08171	0.6
233.05934	0.5
234.06828	4.0
235.07567	3.7
236.08250	1.5
237.05501	0.7
237.09087	5.1
238.09842	1.7
239.07057	0.7
248.08353	0.8
249.05524	0.6
249.09105	1.7
250.06273	10.4
251.07056	2.7
251.10840	0.4
252.07869	3.6
253.08633	0.8
254.09390	0.6
256.28030	0.4
263.07013	0.9
263.10815	0.6
264.07889	1.7
265.08624	71.8
266.09357	7.5
267.06815	0.5
267.10138	0.8
277.08334	0.7
277.22992	0.5
279.06546	0.5
280.07397	1.1
280.10870	0.5
281.08661	0.7
281.11755	3.4
282.08899	0.9
283.09531	1.1
291.10315	0.6
293.07953	0.9
294.08832	0.5
294.46652	0.4
295.09598	1.4
297.11194	0.6
308.10422	0.8
309.11243	100.0
310.11783	4.5
313.14404	1.3
323.12775	1.2
327.27954	0.6
341.10544	1.7
341.13870	35.7
342.14136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42406	1.5
53.03950	1.7
55.01870	2.6
57.03429	4.4
58.43066	1.5
59.82792	1.6
67.99388	1.7
68.94712	1.4
69.03091	1.7
69.03434	21.1
70.36603	1.6
71.04983	6.8
71.50291	2.4
73.02924	1.8
73.04766	5.0
79.00310	1.7
79.05482	2.4
81.03427	22.6
91.05794	6.6
99.04461	7.5
106.06583	1.9
117.05525	2.8
118.06595	2.6
133.07623	9.8
137.05952	2.9
142.40048	1.7
145.30957	1.6
147.04425	1.7
161.05998	2.0
161.07149	17.3
163.03920	8.0
163.08670	7.3
173.07169	4.0
179.03419	12.6
181.08606	1.8
189.06609	25.2
191.08200	13.5
207.07675	100.0
287.10187	2.0
295.12955	3.6
305.11237	6.6
316.92142	1.7
323.12402	78.2
324.12534	1.8
341.13641	22.1
341.17545	2.9
359.02969	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	341.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77292	1.6
53.34712	1.6
54.69918	1.4
56.96532	1.4
57.03425	6.8
61.02914	1.7
68.90469	1.4
69.03438	10.1
69.40413	11.9
70.06576	1.9
71.01345	2.0
71.04979	3.4
73.02897	1.8
73.04753	4.4
81.03418	1.9
81.07056	1.9
85.02898	3.5
91.05782	5.4
98.97567	3.4
99.04457	4.1
106.06548	2.1
107.04937	2.8
110.06072	1.9
110.97640	2.0
115.58934	1.5
116.04939	2.0
118.05312	2.0
123.04433	2.8
133.07608	18.8
137.05975	2.2
142.36482	1.5
145.06459	1.9
145.07616	31.4
147.09172	2.3
154.08727	1.6
163.07303	3.6
163.08670	71.5
175.08693	1.8
179.03387	11.3
188.09518	1.9
189.06665	5.3
189.10352	1.7
190.77814	1.6
207.07661	100.0
213.46443	1.6
219.01530	1.6
222.81358	1.7
237.02803	3.6
242.33307	1.8
264.44653	1.6
279.13394	10.8
297.14465	59.6
323.12280	11.8
326.10327	2.0
335.59787	1.7
341.13446	89.5
359.02921	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	341.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01876	2.3
57.03433	3.0
57.67656	0.8
59.05003	0.8
66.10423	0.8
69.03440	11.6
70.06594	1.0
71.04992	3.4
73.04771	1.8
79.05497	1.5
81.03420	14.0
81.07108	1.0
91.05832	2.0
97.02909	3.6
98.20743	2.2
99.04456	5.0
105.03398	2.1
105.07047	1.1
106.06553	2.4
107.04961	1.8
118.06575	1.1
122.27734	0.9
123.04463	1.8
133.02885	0.9
133.07634	6.5
135.09200	1.4
137.06020	1.0
145.07536	0.9
146.08391	3.0
147.09097	1.9
161.07118	42.9
163.08696	4.6
173.07126	9.2
175.08675	2.8
179.03384	13.6
187.08862	1.1
189.06593	18.4
191.08142	21.5
203.08195	2.0
207.07672	43.1
217.09668	1.0
241.09752	1.4
257.09344	1.1
259.10846	2.1
277.11896	2.4
287.10306	1.7
289.52185	0.9
295.12943	8.0
305.11359	12.5
323.12399	100.0
324.12769	1.2
341.13864	4.6
341.17340	1.3
359.02969	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	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.26516	0.2
53.03944	0.3
54.05306	0.2
55.01874	0.4
55.05490	0.2
57.03433	0.4
61.33488	0.2
62.05587	0.2
67.01850	0.3
67.05509	0.3
68.99797	0.7
69.03431	1.6
70.06584	0.5
70.27255	0.9
71.04997	0.6
73.04759	0.4
81.03424	2.2
81.07082	0.3
83.04984	0.2
85.02895	0.5
89.06037	0.3
91.05803	0.4
94.07847	0.2
97.02907	0.3
99.04459	0.5
100.49563	0.2
111.04435	0.9
117.07024	0.3
117.09213	0.2
123.04430	0.4
133.02817	0.6
133.07605	0.6
137.02362	0.4
137.05946	0.7
147.04427	0.3
155.03424	0.5
161.02376	0.4
161.05978	0.2
161.07178	1.1
163.08679	0.6
179.03407	100.0
180.03751	1.0
189.06793	0.5
191.08192	0.6
207.07677	9.4
211.12234	0.2
305.11499	0.3
323.09082	0.2
323.12476	3.2
341.09924	0.4
341.13629	2.5
341.17502	0.4
359.02780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01878	0.4
57.03425	0.7
62.68520	0.2
67.01871	0.3
68.99792	0.8
69.03090	0.3
69.03442	3.7
70.06602	0.3
70.19278	0.4
70.19681	0.6
71.01365	0.4
71.04996	1.4
73.02924	0.3
73.04759	0.2
77.03259	0.2
79.05500	0.2
79.40501	0.2
79.99947	0.2
81.02990	0.3
81.03426	4.8
81.40816	0.2
85.02901	0.5
91.05450	0.2
96.04536	0.2
99.04465	1.3
105.03390	0.3
105.07060	0.2
109.02898	0.2
111.04454	0.7
117.05518	0.5
119.04962	0.2
126.86494	0.2
133.02872	0.4
133.07648	1.5
134.06001	0.5
134.08081	0.2
135.09161	0.2
137.02322	0.6
137.06020	0.4
151.03932	0.3
155.03436	0.5
160.07622	0.3
161.02362	0.3
161.07091	2.2
163.08672	1.7
179.03412	100.0
180.03757	1.2
189.06639	1.4
191.08185	1.1
207.07674	23.9
208.07898	0.2
219.07915	0.2
221.09380	0.2
249.08852	0.4
305.11374	0.6
323.12399	7.9
341.13495	5.7
341.17297	0.1
359.02713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33494	12.1
56.23220	13.6
66.99924	13.2
70.91837	32.5
84.08139	100.0
104.07200	13.5
156.63260	12.8
212.07680	58.9
230.08777	43.6
250.21820	15.0
263.12616	15.6
263.19955	14.1
299.14496	39.7
315.41605	16.2
317.15494	21.0
341.05582	21.7
359.37012	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	341.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29944	19.5
50.57119	20.3
53.35812	18.4
54.51427	17.3
56.96565	35.4
63.38510	17.6
64.06036	16.9
65.03952	21.9
67.05509	29.6
69.03432	60.4
70.06597	43.9
71.16906	15.1
71.50496	21.6
73.04768	35.2
81.03409	44.1
81.07063	23.2
84.08147	50.7
85.02903	85.8
90.02589	19.5
90.47328	19.4
91.05788	68.4
97.02895	60.3
98.97603	100.0
109.90203	18.2
110.97580	61.5
116.98623	33.4
119.04980	19.7
123.04430	26.7
128.98619	48.3
134.99628	30.5
137.05989	84.4
139.04018	18.9
147.04457	58.3
151.07533	33.2
158.17741	20.7
167.07082	33.8
179.03371	52.0
185.02994	21.1
201.00749	19.8
203.99300	24.3
217.09755	23.2
219.01836	98.7
227.97141	21.0
237.02809	68.6
277.12003	46.5
323.12183	34.4
341.05936	39.0
341.13272	78.7
341.17639	22.9
342.99612	24.8
359.02768	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03944	2.0
55.05517	42.1
57.03442	22.2
57.06832	1.2
57.07084	17.4
61.25355	0.9
63.18893	0.9
67.05510	27.8
69.03414	1.1
69.07073	53.5
71.04479	0.8
71.04984	1.5
71.08640	7.1
71.50759	1.8
72.08141	1.6
75.43965	0.8
79.05504	15.3
81.03409	3.9
81.06589	1.7
81.07061	34.1
83.04966	2.0
83.08626	38.6
85.06545	2.3
85.10180	3.9
88.28686	0.9
91.05476	2.8
93.07053	18.8
95.08612	33.6
97.06538	6.7
97.10178	19.5
99.08092	1.9
105.07035	2.0
107.08617	10.3
109.10165	12.1
111.08087	3.6
111.11729	6.2
111.74502	0.8
113.09639	1.1
117.06888	1.0
121.10153	16.9
123.11721	4.5
125.09645	2.5
125.13203	1.5
133.10132	1.3
135.11699	11.9
137.13264	1.6
139.11211	2.6
147.11711	1.3
149.13263	5.6
151.14801	2.0
153.12732	1.2
163.14827	2.2
165.16426	1.2
177.16382	1.7
181.15884	1.0
247.24255	3.2
265.25333	5.7
322.31799	1.5
339.18057	4.0
339.28976	100.0
340.29419	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
53.46622	0.3
55.01869	0.4
55.05506	1.1
67.05498	1.1
69.03419	0.4
69.07069	1.0
70.03660	1.3
79.05511	0.4
81.03413	0.7
81.07053	1.9
82.06585	0.3
91.05468	0.8
93.07041	0.9
95.08601	1.3
96.08125	0.5
97.02899	0.4
97.06509	0.6
97.10180	0.9
98.06048	0.4
98.21435	0.5
103.05488	0.6
105.07047	0.6
107.08606	0.8
109.02901	0.4
109.10200	0.8
110.09679	0.8
115.05474	0.7
117.03383	0.6
117.07017	3.8
118.06571	0.4
119.08585	0.4
121.10172	0.4
123.11754	0.8
133.10094	0.4
135.11749	0.3
137.05978	0.9
139.46106	0.3
143.07283	1.8
144.08093	100.0
145.02826	1.7
145.06532	0.4
145.08443	0.9
149.05957	0.5
150.12790	1.2
152.14355	26.6
155.06055	0.8
164.14397	0.6
165.00523	0.4
166.15950	3.1
174.06705	0.4
177.05518	3.4
189.09111	0.3
196.16975	11.0
197.17439	0.5
208.16998	1.5
219.08109	0.7
221.05994	0.4
223.12305	1.7
235.07545	0.7
236.08374	0.5
247.07562	0.8
261.09088	0.6
264.07883	0.4
279.10025	0.5
281.07986	0.4
283.06296	0.8
290.34366	0.4
295.21713	13.8
296.22235	0.4
307.09686	1.8
311.13141	0.3
321.10486	0.3
321.23724	0.4
339.12576	3.1
339.24323	48.0
340.24713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1553
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
56.96559	0.8
59.45057	0.5
69.03428	0.9
69.77459	2.9
72.41592	0.7
85.02909	0.6
91.05508	1.1
98.97592	0.9
100.36772	0.6
110.07159	0.6
119.04923	1.9
130.04970	0.8
133.07620	0.6
136.07610	0.9
147.04413	6.7
147.09135	0.5
152.07051	0.6
155.78601	0.5
159.09123	0.5
161.07127	3.6
161.10741	1.3
163.03932	0.6
164.07072	0.8
166.12236	0.7
173.10744	0.7
177.05334	0.7
182.08237	0.6
187.12302	2.0
188.09398	0.8
188.13014	1.0
189.10268	2.3
194.10435	0.9
200.09457	2.4
201.10234	3.2
202.11079	1.3
203.11852	1.1
207.06499	0.6
207.11298	14.0
213.10211	0.6
214.11038	1.7
215.08183	1.1
215.11784	3.5
216.12590	1.7
218.10524	1.5
219.11339	5.6
220.12097	2.8
221.12787	1.4
229.09908	1.2
229.13388	9.3
232.12041	1.1
233.09210	1.8
233.12808	3.9
234.13707	0.8
244.12294	0.6
247.10715	1.1
247.14487	7.2
248.11569	1.1
257.08914	0.6
257.09802	0.6
257.12842	9.6
258.11279	0.6
259.41238	0.5
262.13171	1.5
265.11832	1.3
275.13901	11.6
277.15445	1.4
285.12372	4.0
293.14908	6.0
302.46130	0.6
303.13394	16.3
321.14453	38.9
339.12000	5.3
339.15524	100.0
340.15775	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17705	4.5
51.21597	4.2
53.03949	10.0
53.80388	5.1
55.01883	28.1
55.05519	35.0
55.17907	4.3
57.03449	29.8
57.07074	10.4
67.05511	100.0
67.43828	4.9
69.03412	5.4
69.07072	28.0
69.45350	34.6
79.05502	86.9
81.03411	16.4
81.07064	91.4
83.04988	34.3
83.08611	9.9
83.66400	5.6
85.06550	7.8
88.07654	5.6
91.05490	83.0
93.03410	4.7
93.07048	62.3
95.04977	85.2
95.08627	48.9
97.02886	9.9
97.06519	12.9
97.10206	6.7
103.05470	7.2
105.07045	60.8
107.04972	97.9
107.08626	28.5
108.05742	9.8
109.06529	46.9
109.10163	18.9
110.07300	5.9
111.04436	16.5
111.08101	5.8
112.05232	16.3
113.05995	9.7
115.05465	10.8
117.07014	41.4
119.04886	6.1
119.08584	31.8
121.06496	26.1
121.10158	14.4
122.07306	18.8
123.04430	13.3
123.08081	11.2
125.06087	5.3
128.06224	13.4
129.07007	17.0
131.08578	37.5
133.06464	28.0
133.10146	12.9
135.08040	23.1
135.11646	10.0
137.06065	5.5
137.09621	11.0
141.07085	7.3
143.08553	13.2
145.06502	21.2
145.10129	24.0
147.08047	36.4
147.11703	15.4
149.02318	6.1
149.09576	8.9
151.07535	10.6
155.08592	9.4
157.10092	7.2
159.11711	13.6
161.09608	17.3
163.11194	9.1
165.09149	10.4
169.10156	11.4
171.11700	8.9
173.13274	14.0
175.11171	10.1
177.12823	7.4
179.78169	4.6
187.11101	6.1
187.14850	12.8
189.12715	8.6
193.04962	14.6
197.13223	10.3
203.14249	6.3
205.15880	12.4
215.14258	17.3
218.13054	5.4
233.15387	88.9
234.15732	4.7
253.00034	11.2
265.18008	42.5
273.18460	12.5
290.18839	9.9
305.21118	11.0
339.27737	29.5
339.77908	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	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01857	1.7
55.05497	1.4
57.03429	3.8
60.72683	1.1
61.02923	1.9
65.03956	1.3
67.05506	4.2
69.03419	5.3
69.07057	1.5
71.51361	1.4
73.02918	2.4
79.05492	6.2
81.03405	2.7
81.07058	9.9
82.06555	1.5
83.04969	1.1
84.04504	1.5
84.08141	2.3
85.02904	33.1
86.09708	1.8
91.05485	6.3
93.07043	3.7
94.06562	4.3
95.01336	7.4
95.08587	1.3
96.08128	2.4
97.02905	7.7
97.06522	5.0
97.43639	1.1
98.06874	2.3
99.04428	1.3
103.03960	1.9
103.53757	1.1
106.06527	1.9
108.08115	3.0
109.02900	2.4
109.05279	1.7
109.06564	2.0
110.06045	20.6
113.02358	2.0
113.96863	1.3
114.10291	1.4
115.03932	1.6
119.04941	4.2
120.04509	1.5
121.06474	1.7
122.06029	24.3
123.04372	2.3
123.06783	4.3
124.07595	22.7
126.05549	2.5
127.03892	7.1
130.04984	3.2
134.06007	21.2
135.04376	1.5
136.07579	93.7
137.05945	1.5
138.05463	2.4
139.03874	1.3
140.07095	9.5
141.01840	16.6
145.02888	1.2
145.04962	8.4
147.04353	8.0
150.05507	9.9
152.07069	100.0
154.08702	1.7
158.08067	1.7
159.02901	4.8
160.07605	1.4
163.03867	1.4
164.07071	99.5
166.08656	2.8
166.12288	2.7
168.06535	3.7
170.08116	11.8
172.11113	1.4
177.05476	5.1
179.03407	1.6
182.08127	28.5
200.10678	1.6
214.12267	2.7
234.63750	1.2
260.12790	5.6
285.12308	1.9
293.89276	1.5
303.13388	50.1
307.09412	1.6
321.14423	13.6
339.08145	1.4
339.11969	2.8
339.15613	3.1
339.19269	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	338.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
54.52663	1.0
55.01874	2.6
55.05513	11.2
57.03444	5.5
57.07074	3.6
59.05007	1.0
59.70220	0.9
65.03942	3.0
67.05505	69.4
68.05031	2.9
68.62069	1.0
69.03418	3.0
69.07068	7.2
71.04990	3.8
71.05742	2.6
79.05495	25.3
81.03419	1.9
81.07061	45.2
83.04985	4.1
83.08625	2.4
85.06535	2.2
91.05482	19.6
93.06574	0.6
93.07043	29.9
95.04971	11.0
95.08611	100.0
96.04494	39.0
96.08953	1.4
97.02885	3.4
97.04868	1.2
97.06513	1.6
105.07036	20.1
107.08611	11.5
109.06526	4.0
109.10159	48.1
114.05531	21.8
117.07016	2.8
119.08585	28.1
120.08911	1.5
121.06517	1.1
121.10133	7.1
123.08046	6.1
123.11705	2.4
131.08540	1.1
133.10123	6.4
135.11700	9.9
137.09610	10.7
142.05000	11.2
149.13248	1.9
151.14821	30.4
152.10698	1.1
159.07722	1.1
160.06059	40.9
161.13243	9.3
177.05472	1.4
179.14325	23.3
206.15440	3.3
222.18616	1.2
267.74930	1.1
292.19037	2.3
310.41501	0.9
338.19601	28.0
338.26697	2.3
339.11996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1963
Annotation	Mulgediifoline
Peak:m/z	Relative Intensity
52.42048	0.5
53.03931	1.0
55.05503	1.2
67.05489	1.5
68.05003	1.4
69.03428	2.8
69.07053	1.4
69.36278	2.0
69.36687	1.7
70.06568	0.5
71.04989	0.5
74.02435	0.6
78.12519	0.4
79.05495	3.1
79.89312	0.5
80.05008	2.1
81.03421	2.7
81.07063	2.7
82.06559	1.7
83.01350	0.6
83.08621	0.6
84.08131	0.5
85.02904	0.6
86.30805	0.5
87.04441	0.5
89.03905	0.8
91.05469	1.2
93.05766	0.7
93.07050	5.4
93.57810	0.5
94.06565	0.7
95.04976	0.8
95.08603	1.2
96.04497	5.4
96.08131	0.7
97.02895	13.5
98.06036	0.7
99.04446	1.2
101.02329	0.6
105.07012	1.6
107.08591	3.1
108.08122	24.4
109.10140	0.6
110.09657	2.4
111.08028	0.5
112.24725	0.4
114.05533	1.1
115.39399	0.5
117.03359	2.2
118.06582	0.8
119.08580	2.0
119.24277	0.5
120.08063	0.6
121.08885	0.8
121.10120	1.4
122.09673	9.8
123.10432	1.7
123.11657	0.5
124.03918	0.6
124.07516	0.6
124.11217	0.7
126.05501	0.6
128.07053	0.8
133.10130	1.2
135.11700	4.1
136.11240	3.2
136.12123	0.7
136.38774	0.5
141.86043	0.5
142.05028	0.5
143.03397	2.1
145.02853	4.8
148.07590	0.6
149.05962	1.0
150.05486	0.5
150.12785	25.0
151.13580	6.8
152.06915	0.5
152.13179	1.0
152.14346	13.4
153.14575	0.5
154.04967	0.8
160.11276	0.6
162.09142	0.6
163.03960	0.7
164.07043	0.9
166.08623	1.0
166.12318	0.5
171.30016	0.5
172.06007	0.9
176.03409	1.7
177.05487	6.8
179.09389	0.9
180.10257	4.1
182.03583	0.6
196.16924	0.8
208.13216	0.8
209.01361	0.6
209.14148	0.7
211.04573	0.6
220.13393	1.1
222.07614	3.0
240.12277	0.8
248.16493	2.2
264.12274	0.6
292.15460	0.8
294.17014	100.0
295.17307	2.2
296.15656	0.5
296.18512	3.0
338.19632	62.7
339.19861	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	338.1963
Annotation	Mulgediifoline
Peak:m/z	Relative Intensity
53.03940	1.1
55.05527	1.9
55.94525	0.7
56.96568	0.8
61.23848	0.7
66.57578	0.7
67.05501	4.9
69.03433	1.0
69.07063	1.7
69.31067	6.7
69.90766	1.0
74.02431	3.2
79.05488	3.7
80.05022	3.0
81.03415	2.8
81.07069	7.7
91.05477	2.5
93.07037	4.2
95.08607	10.3
96.04497	3.7
97.02914	4.0
97.06524	1.3
97.10169	1.4
105.07025	1.6
107.08606	2.6
108.08136	8.5
109.10172	3.5
114.05515	1.2
116.10783	0.9
119.08588	3.4
121.06541	1.2
121.10181	0.9
122.09679	2.4
124.03963	46.0
125.09798	0.9
129.06993	1.1
131.08614	1.1
133.10124	2.4
135.11681	1.8
137.13263	4.6
144.08101	3.5
145.10115	1.0
149.05942	0.9
150.05528	3.7
150.12791	8.2
151.13625	1.9
151.14809	1.4
152.14343	4.0
161.13284	2.4
170.04485	12.5
173.13280	1.0
177.05472	2.2
180.10193	1.6
196.06108	3.6
214.22157	0.9
222.07640	3.7
248.16499	1.4
258.08777	0.8
294.17038	35.0
307.09796	0.9
320.18561	4.9
320.26129	1.1
338.19647	100.0
338.26868	7.9
339.20047	2.6
339.24164	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	338.1962
Annotation	Mulgediifoline
Peak:m/z	Relative Intensity
51.15734	0.6
51.25334	0.7
51.71162	0.6
53.03915	0.7
55.05483	1.5
56.05017	0.7
64.05417	0.8
67.05452	2.5
68.04992	1.6
69.03381	2.1
69.07024	2.7
69.94829	2.7
77.71115	0.7
79.05505	3.8
80.04993	0.9
81.03355	0.7
81.07056	4.2
82.06554	1.6
84.08108	0.9
84.59912	0.7
91.05437	1.8
93.07049	7.1
94.06561	0.8
94.07351	0.7
95.08549	2.9
96.04503	5.3
96.08130	0.9
96.08905	0.9
97.02898	14.3
97.06490	1.1
97.21901	0.7
99.04436	1.4
105.06974	2.1
107.08624	3.5
108.08132	25.8
108.08871	1.6
109.08920	0.9
109.10123	1.4
110.06011	0.8
110.09637	2.6
110.10319	0.6
114.05492	2.0
119.08534	2.4
119.13251	0.8
121.08820	0.8
121.10110	2.1
122.09676	9.6
123.10409	2.2
123.11665	1.4
126.05499	0.9
128.07022	1.9
131.08598	1.1
133.10091	1.2
135.11696	5.4
136.11217	3.1
137.48784	0.6
143.03357	1.8
147.11624	0.7
149.13206	0.7
150.12776	23.2
151.13579	8.2
152.13196	1.0
152.14354	13.8
154.04971	0.7
160.11153	0.9
161.13220	0.9
163.03944	0.8
165.07771	0.9
175.14838	1.0
179.09340	1.4
179.14259	1.0
180.10249	4.4
196.16940	1.2
208.13451	0.7
238.46078	0.6
240.12323	1.0
248.16454	2.3
276.15979	0.8
294.17020	100.0
295.17258	1.6
296.18619	3.8
296.21411	0.6
296.34338	0.7
302.21765	1.2
315.82394	0.9
316.92209	0.7
320.23050	1.3
338.19650	68.0
339.19974	1.3
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	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01899	2.6
55.05510	23.6
57.03435	2.4
57.07075	9.4
67.05179	3.8
67.05508	48.5
69.03422	7.1
69.07072	33.4
70.16795	7.5
71.05015	4.6
71.08633	6.6
79.05498	26.6
81.03398	2.9
81.07059	96.7
83.04996	6.8
83.08624	14.1
85.06552	29.1
91.05467	18.5
93.07053	42.9
95.04983	7.2
95.08611	100.0
96.04512	16.2
97.06527	8.0
97.10187	11.5
98.20815	2.4
99.04457	3.9
99.08099	10.3
105.07018	23.3
107.04993	2.7
107.08598	51.7
107.76553	2.3
109.02852	2.0
109.06542	10.2
109.10162	56.5
111.08064	4.7
111.11698	4.6
113.05982	2.2
113.07133	2.4
117.07001	3.6
119.08598	26.0
121.10149	33.8
121.10954	3.8
123.08080	9.9
123.11720	29.6
125.09641	7.2
127.07555	6.8
131.08583	7.4
133.10147	21.8
135.08034	6.0
135.11707	27.1
137.06000	3.7
137.09654	8.9
137.13283	12.6
139.07558	2.2
139.11192	5.3
142.05020	21.0
143.08575	3.2
145.10158	9.9
146.06090	2.2
147.08041	3.4
147.11691	12.2
149.09648	5.3
149.13263	22.5
151.07620	2.8
151.11189	3.1
151.14833	5.9
153.09137	2.7
157.10117	4.5
159.07690	16.9
159.11728	7.0
161.06046	3.1
161.13274	10.1
163.11188	6.8
163.14818	9.4
165.12776	4.5
167.10661	4.5
171.11630	2.7
173.13324	6.1
175.07553	3.8
175.14870	6.1
177.07767	2.3
177.12813	3.4
177.16432	8.2
179.14308	4.8
181.12181	3.1
185.13199	2.5
187.14787	5.3
189.12738	2.3
191.14380	4.2
191.17973	4.0
195.13768	4.6
201.16484	4.8
203.18028	2.9
205.19502	6.4
209.15382	4.8
213.16489	2.9
221.18954	2.5
223.20665	4.9
227.18025	3.9
233.90752	2.2
234.06810	2.9
235.17035	2.5
263.20013	5.2
277.08618	5.0
283.24265	7.4
301.21991	3.7
301.25308	10.3
305.08237	3.2
319.22760	5.2
319.26273	28.7
337.10657	15.3
337.21133	7.3
337.27386	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01870	2.5
55.05513	45.9
57.03442	22.8
57.07073	10.5
61.42431	1.8
65.03923	3.5
67.05510	91.2
68.05822	2.5
69.07075	59.5
71.04976	8.6
71.08613	3.0
71.51543	2.9
79.05496	34.0
80.05849	1.8
81.07063	100.0
82.07383	2.5
83.04995	3.8
83.08625	26.0
85.06533	2.4
91.05487	22.8
93.07052	35.4
95.04951	9.2
95.08614	83.1
96.08965	2.7
97.06525	3.9
97.10167	13.8
103.46574	2.0
105.07043	36.5
106.07815	1.9
107.08592	24.5
109.06496	4.2
109.10174	37.8
111.08075	5.7
111.11688	2.6
117.07016	5.9
119.08588	36.7
121.10155	35.8
123.08076	4.7
123.11718	27.5
129.06999	6.1
131.08556	14.2
133.10147	21.1
135.08054	9.2
135.11688	11.6
137.09590	3.0
137.13185	5.7
142.07765	8.5
143.08594	12.3
145.10147	22.3
147.11702	10.8
149.09587	2.9
149.13258	4.7
151.14806	3.0
155.08554	7.4
156.09360	4.7
157.10117	17.8
158.10887	3.4
159.11710	11.3
161.09595	10.1
161.13246	10.2
163.14850	3.3
167.08533	3.5
168.09364	2.3
169.10158	10.3
170.10802	2.2
171.11728	12.1
173.13283	6.7
175.14801	9.2
177.16400	6.0
180.09320	2.2
181.10078	2.7
182.10915	2.7
183.11696	11.0
185.13231	6.8
187.14795	3.8
189.16457	4.9
195.11665	6.1
196.12453	2.3
197.13304	14.1
198.13962	2.7
199.14703	3.8
201.12753	2.4
201.16449	4.7
209.13243	7.2
211.14836	5.7
213.12750	2.5
213.16472	2.7
215.14275	4.9
221.13130	2.3
223.14815	4.2
225.16489	3.4
239.17900	4.0
245.22710	2.6
253.19598	2.7
254.20169	3.1
263.18188	2.1
263.23782	3.2
279.21042	6.1
281.19000	3.1
294.23337	3.2
319.24274	2.3
337.27814	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2376
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
50.37145	1.8
53.03944	5.8
55.01873	6.1
55.05510	25.2
57.03435	6.3
57.07076	9.4
57.34756	2.0
65.03933	3.9
67.05506	54.1
69.03426	10.9
69.07074	82.8
70.53527	4.0
70.53916	4.8
71.04993	5.1
79.05495	45.0
81.03415	3.6
81.07059	100.0
83.04982	8.9
83.08626	8.8
85.06548	39.9
89.63050	2.2
91.05490	40.8
92.28783	2.2
93.07045	76.4
95.04980	14.5
95.08614	68.3
97.06530	25.7
97.10168	5.5
99.08102	19.8
105.07034	60.7
107.08605	61.6
109.06535	12.5
109.10155	25.5
111.08096	10.8
113.09663	4.1
115.05460	2.4
115.07574	3.9
117.07019	9.2
119.08592	42.9
119.42413	2.3
121.06496	5.8
121.10152	30.3
123.08097	11.0
123.11678	6.2
125.09643	19.0
129.07001	8.0
131.06920	4.2
131.08572	19.7
133.06488	4.3
133.10127	25.4
135.08104	4.5
135.11690	13.4
137.09637	9.5
139.11206	14.4
143.08568	8.8
145.10110	17.2
147.08055	5.3
147.11685	34.9
149.09595	11.5
149.13260	19.0
151.07591	3.4
151.11180	4.5
153.12724	2.2
156.09329	3.8
157.10153	12.1
159.08086	2.4
159.11734	14.3
161.09636	5.5
161.13229	10.8
163.11151	2.4
163.14801	4.4
165.09088	4.7
165.12714	9.9
169.10159	2.4
173.09651	2.6
173.13266	9.1
175.11205	18.0
175.14839	13.5
177.12651	3.2
179.14351	3.4
183.11693	2.3
185.13255	9.4
187.14832	10.2
189.12703	3.7
191.14284	3.7
193.12256	4.4
193.15892	3.8
199.14859	8.8
203.14383	9.6
205.15884	6.7
215.14328	2.4
221.15356	5.5
221.46806	2.3
225.16470	2.3
227.14418	3.0
229.19557	4.3
247.20613	2.6
255.21086	6.5
273.22217	7.7
283.20593	5.9
289.21716	4.0
291.23148	7.7
301.21628	35.4
319.22717	32.4
337.10645	3.0
337.23746	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	337.2373
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
52.92660	2.3
53.03936	2.5
55.05520	13.7
56.78442	2.4
57.03422	4.6
67.05511	35.2
69.03415	5.6
69.07069	16.1
70.06605	2.8
70.38314	8.3
71.04996	3.9
72.08147	3.0
75.74184	2.1
79.05494	31.5
81.07063	100.0
83.04989	4.8
83.08636	5.2
84.40839	2.5
85.02896	3.0
85.06544	11.9
89.31557	2.6
91.05492	28.1
93.07049	57.7
95.04971	11.7
95.08614	52.7
97.06528	11.2
97.10162	4.7
105.07040	49.2
107.05016	2.4
107.07871	5.4
107.08598	85.3
108.08108	3.3
109.06537	10.4
109.07753	2.0
109.10167	30.7
111.08092	10.8
113.09634	2.7
117.07038	5.6
119.06098	3.1
119.08589	38.5
121.06499	2.5
121.10154	34.1
123.08088	7.2
123.11707	6.4
125.09645	5.2
129.07036	3.8
131.08569	11.5
133.10141	17.9
135.08034	5.1
135.11705	15.3
137.09668	2.7
139.11169	3.2
142.07811	3.7
143.08556	8.9
143.10698	3.1
145.10158	17.4
147.08046	5.8
147.11703	29.0
149.09613	4.7
149.13283	22.7
151.11189	3.3
156.09300	4.0
157.10121	11.1
159.11708	13.5
161.13264	7.0
163.11197	5.9
163.14850	5.9
165.09099	3.6
169.10121	2.9
171.11696	8.7
173.13335	13.6
175.11174	4.0
175.14792	4.8
183.11682	3.0
185.13225	7.2
187.14870	7.3
192.52718	2.4
193.12228	3.7
199.14864	3.7
203.14319	4.7
217.15878	2.7
229.19664	2.4
263.07089	3.4
273.22079	5.6
283.20645	6.0
289.21564	5.3
291.23209	3.4
294.17075	11.9
301.21619	24.7
305.33737	3.0
319.22607	15.0
337.07129	6.1
337.10986	3.1
337.23834	11.3
338.19736	8.2
357.31717	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.05498	3.3
63.48178	1.1
68.05020	5.5
69.03431	3.4
69.07067	2.5
70.03019	6.0
70.06574	1.6
79.05478	4.0
81.07048	2.7
84.08131	1.9
93.07037	5.7
95.01318	3.4
96.04502	15.2
96.08110	2.9
97.02898	24.0
98.06059	8.6
98.20824	1.7
106.02900	4.9
107.08562	2.8
108.08120	45.2
110.09684	3.5
114.05520	7.9
122.09655	3.4
123.10431	1.7
124.03959	4.6
124.11248	1.2
135.11684	5.0
142.05006	96.8
150.12779	12.1
152.14349	100.0
154.04991	1.7
154.15903	6.2
174.40929	1.3
195.85217	1.4
196.16985	50.8
200.15596	1.2
204.17340	1.2
219.02727	1.4
230.15300	1.4
236.05901	1.3
247.18047	1.6
248.16508	2.0
276.15912	5.7
293.18604	91.9
294.19037	2.5
295.20139	4.0
311.15823	1.2
320.18555	2.3
337.21219	79.1
338.21844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2375
Annotation	HXB3
Peak:m/z	Relative Intensity
53.03964	5.1
55.01875	11.2
55.05520	16.9
56.03500	3.4
57.03442	28.1
59.04996	9.5
67.05510	19.6
69.03427	13.9
69.07083	27.2
70.06613	4.4
70.09981	3.4
71.04997	11.1
71.38091	3.8
71.51017	6.3
72.08163	4.0
73.06540	6.4
73.81483	3.1
79.05501	20.6
81.07060	28.5
83.04986	10.0
83.08629	29.7
84.08121	4.7
85.02896	7.8
85.06560	12.3
87.04488	5.2
91.05512	17.3
93.07053	25.2
94.06556	8.2
95.04968	12.6
95.08606	29.5
97.06538	27.3
99.08057	5.1
105.07044	24.2
107.08612	52.6
109.06532	11.9
109.10182	20.2
111.08095	14.4
113.09624	9.5
117.07030	4.4
119.08576	17.0
121.06458	4.8
121.10133	21.2
122.06056	18.6
123.04423	3.9
123.08070	32.8
123.11718	6.7
125.09640	18.1
127.07578	4.5
129.09102	10.1
130.05035	10.5
131.08562	8.4
133.10120	23.3
135.08034	9.3
135.11687	12.0
136.07574	5.7
137.09602	17.1
139.11189	50.7
140.07104	18.6
145.02866	5.0
145.10139	13.4
147.11700	11.9
149.09665	7.9
151.11192	15.8
152.07104	13.6
153.09081	26.5
153.12772	7.0
155.10690	10.2
157.10242	3.7
159.11673	12.7
161.09633	5.4
163.11221	11.8
165.12863	3.9
167.10692	29.0
173.13290	22.7
176.09302	3.5
177.05617	6.4
177.12791	6.9
179.10727	4.9
181.12247	59.3
187.14883	4.6
191.14357	7.2
193.15895	4.4
196.16945	5.5
203.14307	10.6
205.15927	12.6
208.13353	12.5
217.15877	4.9
221.15302	9.6
229.15794	5.7
235.16919	31.5
239.07965	3.4
246.11310	8.0
247.16994	11.7
249.18585	3.8
263.20166	5.9
274.10742	5.7
277.21658	4.9
279.19455	16.9
281.74966	4.2
287.20056	7.2
291.13425	15.8
301.11600	6.2
305.21130	22.8
319.12820	20.2
319.22775	4.4
337.14023	18.9
337.17578	5.5
337.23782	100.0
342.48230	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0898
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
71.14549	4.1
135.32132	2.2
242.27777	2.5
311.69873	2.3
337.08963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	10.5
60.48072	3.9
70.41344	13.1
70.98118	5.7
84.08150	10.2
98.97585	23.4
110.97595	8.4
113.03475	5.2
116.98631	5.1
128.98659	6.5
130.08656	11.6
141.25218	3.5
146.99695	4.2
151.89015	4.2
170.96008	5.3
181.93953	4.1
202.98677	4.5
219.01842	7.5
230.98170	6.1
244.99673	3.9
263.00815	9.7
277.02344	6.5
277.07904	4.4
295.06857	8.1
322.42184	5.5
337.08932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05518	4.4
67.05503	2.9
68.05042	3.0
69.03430	2.3
69.07054	1.7
69.65596	8.0
70.06605	3.6
71.02200	1.5
79.05465	3.7
81.07071	6.1
84.08174	2.3
91.05451	3.4
93.07053	6.3
95.01335	1.7
95.08608	4.3
96.04522	12.1
96.08123	3.5
97.02905	22.0
97.07626	1.5
98.06075	6.8
98.21510	1.6
105.07060	4.6
106.02911	5.3
107.08599	3.3
108.08130	45.1
109.10170	2.1
110.09691	4.7
114.05564	7.5
114.06200	1.4
119.08612	3.3
121.10162	4.9
122.09676	3.6
124.03964	5.1
131.08562	1.6
135.11725	5.9
139.03815	1.7
142.05016	86.3
142.13428	1.9
150.12787	11.4
151.13686	2.1
152.07106	2.4
152.14360	89.7
154.15880	5.6
196.17021	30.4
222.10902	1.5
247.18158	2.1
248.16333	1.6
250.87552	1.7
276.16055	4.5
293.18634	100.0
293.27145	4.2
295.20261	2.6
301.11749	2.6
320.18619	2.0
337.17346	3.2
337.21268	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	335.2584
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03946	7.1
55.01844	2.8
55.05516	20.9
57.03440	24.5
57.07075	3.9
57.13925	2.7
65.03935	3.6
66.97105	2.2
67.05513	95.6
69.07081	21.5
71.50919	2.8
71.51335	3.6
79.05497	54.1
81.07066	92.8
83.04967	2.7
83.08627	10.3
84.65819	2.2
91.05495	20.4
93.07053	57.5
95.08618	67.0
97.06561	3.6
97.10156	7.0
104.08625	2.3
105.07052	20.2
107.08605	28.7
109.10168	30.4
111.50909	2.3
115.85240	2.5
117.07039	4.0
119.08616	14.5
121.10160	21.5
123.11730	10.4
131.08592	13.7
133.10149	11.0
135.11728	12.7
145.10117	6.8
147.11707	5.8
149.13300	8.7
157.12848	2.4
159.11731	6.9
161.13286	6.2
163.14938	5.9
173.13237	6.1
178.92717	2.5
187.14720	3.8
198.60822	2.4
243.21162	4.1
261.22229	8.3
290.30878	2.4
335.25836	100.0
348.66965	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.64652	1.0
53.03938	3.7
55.05513	11.1
57.03439	17.8
57.07063	4.3
65.03929	2.2
67.05508	68.0
69.06730	1.5
69.07069	13.2
71.04991	1.9
79.05499	37.0
81.07062	71.0
83.04990	1.5
83.08633	8.6
85.06548	1.3
88.20978	1.1
91.05492	15.4
92.44200	1.1
93.07047	39.6
95.04972	2.2
95.08611	54.1
97.06541	2.7
97.10172	3.6
105.07030	15.3
107.08604	25.3
109.06571	1.2
109.10167	24.2
117.07010	4.2
119.08590	11.2
121.10143	20.9
123.08137	1.3
123.11710	9.2
131.08560	8.6
133.10141	10.2
135.11696	15.9
137.13260	2.9
145.10106	6.2
147.11676	6.0
149.13258	9.6
159.11732	3.9
160.02151	1.0
161.13290	5.9
163.14827	3.7
173.13275	4.5
175.14801	2.0
177.16380	1.9
187.14810	2.7
201.16461	1.8
243.21129	7.4
261.22153	12.3
317.25031	1.4
335.25827	100.0
357.74692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.30124	1.2
53.03934	5.7
55.01871	2.5
55.05518	19.1
57.03441	21.4
57.07066	2.8
65.03937	3.4
67.05510	81.3
69.07077	15.4
69.75878	2.5
69.76283	5.4
71.05008	2.3
71.08622	1.7
79.05499	40.4
81.03432	1.4
81.07063	81.2
83.04958	1.3
83.08627	9.4
85.06535	2.0
91.05489	24.3
93.07053	50.0
93.07644	2.5
95.04966	4.9
95.08614	62.2
97.06541	1.8
97.10154	2.8
98.21587	1.3
99.08079	1.6
105.06376	1.9
105.07038	17.5
107.08596	26.6
109.06491	1.6
109.10157	29.5
109.10846	2.3
111.08070	1.9
117.06995	7.5
119.08591	16.7
121.10144	24.5
123.08109	2.2
123.11707	9.6
129.05528	2.5
129.06995	1.9
131.08597	12.3
133.10121	11.7
135.08083	1.9
135.11703	19.2
137.09642	1.5
137.13268	2.0
139.46964	1.2
141.92307	1.4
143.08600	1.6
145.10146	10.4
147.11676	7.4
149.13292	10.2
155.08624	1.3
155.57870	1.1
159.11678	6.2
161.13335	8.1
163.14845	6.4
165.12784	2.7
171.11687	2.1
173.13284	9.5
175.14854	2.6
177.16385	2.4
187.14851	4.3
193.12123	1.2
197.13368	1.4
209.13277	1.4
243.21062	13.1
258.31775	1.4
261.22192	12.6
317.24704	3.2
335.25836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03929	3.7
55.01849	2.0
55.05276	1.7
55.05515	26.2
57.03442	24.0
57.07061	3.8
57.38634	1.0
61.73856	1.2
65.03928	4.2
67.05508	100.0
69.03419	1.1
69.07068	23.4
79.05495	51.2
81.03441	1.4
81.07060	79.4
83.04970	2.1
83.08625	10.5
85.06526	1.6
91.05482	25.8
93.07048	51.4
95.04958	3.6
95.08611	63.1
97.06527	4.1
97.10163	4.6
98.20752	2.5
99.08108	1.1
105.04506	1.3
105.07047	13.5
107.08594	24.6
109.06522	1.1
109.10159	23.4
111.08067	2.8
117.07000	4.8
119.08582	10.6
121.10139	20.0
123.11697	9.0
125.09617	1.4
131.08586	7.6
133.10127	9.3
135.11705	12.8
137.13222	2.9
145.10123	4.0
147.11696	4.7
149.13237	5.9
151.11145	1.2
159.11688	3.4
161.13257	3.3
163.14847	1.8
173.13277	2.6
187.14772	1.4
243.21132	1.9
261.22217	6.3
261.24731	1.0
317.24783	1.5
324.10205	1.0
335.25812	81.6
336.26047	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03944	3.4
54.93805	1.1
55.01875	2.4
55.05515	26.8
57.03443	27.7
57.07071	3.8
65.03935	3.9
67.05509	100.0
69.06731	1.6
69.07075	22.3
71.04980	1.4
79.05013	1.3
79.05499	50.7
81.07062	86.8
83.04969	2.4
83.08626	9.3
85.06533	2.2
91.05489	24.3
93.07052	47.5
95.04956	3.3
95.08611	64.1
97.06544	2.5
97.10184	3.0
100.32371	1.0
105.04475	1.8
105.07040	15.6
107.08604	24.3
109.06504	2.2
109.10161	24.6
111.08067	1.3
117.07028	4.3
119.08606	11.1
121.10143	20.6
123.08109	2.3
123.11726	6.5
125.88593	1.1
129.91493	1.2
131.08563	6.7
133.10153	7.3
135.11720	11.4
137.09679	1.0
137.13284	2.4
145.10165	4.7
147.11716	5.9
149.13300	6.3
159.11720	3.9
161.13272	5.4
163.14857	3.1
173.13263	3.6
187.14850	2.3
238.38364	1.1
243.20946	2.5
247.17339	1.0
261.22202	5.8
317.24911	1.4
335.25827	84.2
336.26086	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
59.17496	0.8
60.62692	0.8
62.02812	0.8
64.28330	0.8
65.03934	4.9
65.75151	0.8
67.05518	6.1
69.07074	100.0
70.55380	1.8
70.55715	1.2
72.66535	0.7
74.55700	0.7
79.05475	2.5
80.05044	1.3
80.56660	0.8
81.03399	1.2
81.07071	7.5
83.86304	0.7
91.04279	1.0
91.05478	2.5
92.04999	3.8
93.07044	1.9
94.06587	4.4
95.04974	2.7
95.08609	1.8
97.06541	17.0
102.26087	0.8
104.05014	1.0
107.08563	1.5
108.04494	1.0
109.06512	1.4
109.10146	1.0
110.05952	0.9
111.04424	1.1
117.07076	1.2
119.03700	1.1
119.08560	0.9
120.04465	1.1
121.05301	1.4
121.06498	1.8
122.06033	8.1
124.07585	2.4
125.06032	1.0
128.06221	0.8
131.08528	0.9
134.06100	1.0
137.05984	2.5
137.09653	1.0
138.05519	6.0
140.07079	7.5
144.08098	2.1
145.08841	3.0
145.10143	2.7
146.09654	3.4
147.06729	1.3
148.03946	3.2
150.05518	72.0
152.03369	0.9
156.77028	0.8
157.08868	2.6
158.09612	1.0
160.07512	1.3
160.11305	1.5
161.08359	3.9
162.09145	2.0
164.03441	1.5
166.05023	27.3
168.06580	1.7
172.07578	1.2
172.11224	3.5
173.08354	3.3
173.09702	1.3
174.09090	1.2
174.12822	6.8
176.03430	7.8
178.04970	2.0
183.33772	0.8
185.08440	1.4
186.09183	1.3
190.08647	1.3
190.12274	4.6
192.02985	1.6
194.04491	3.9
198.07750	1.3
200.10756	6.3
202.12279	7.1
215.11876	0.8
216.10202	3.9
218.08337	1.5
218.11787	27.0
226.08664	1.3
228.10237	17.0
229.13425	1.7
234.11330	3.2
243.11404	1.8
244.09738	2.1
245.12958	1.4
246.11292	26.5
254.08089	1.1
255.11368	1.6
261.12268	1.3
262.10779	1.2
269.09213	1.0
271.10764	6.0
272.09198	4.7
273.12320	2.9
274.10764	2.3
287.10297	5.8
289.11893	7.7
290.10165	2.2
299.10336	7.6
317.11340	23.1
320.60641	0.8
335.12384	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	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98945	2.3
58.99844	1.9
61.68860	1.9
62.06951	2.1
69.03422	4.7
69.50946	14.7
77.17983	2.0
81.03392	1.8
82.99834	7.0
85.02876	6.7
94.99874	2.1
97.01389	3.2
97.02866	4.9
99.02045	2.0
101.00883	36.8
113.00867	23.0
115.02401	7.6
119.01923	25.3
125.00806	2.6
127.02396	6.6
127.03944	2.5
129.03911	4.4
130.06493	4.6
131.01912	26.5
131.05545	13.2
133.01622	2.3
133.03458	6.1
137.00829	7.6
142.01085	2.5
143.01901	80.8
144.02011	2.8
145.03496	10.8
147.05038	2.6
149.06584	9.0
155.01898	41.8
155.05510	7.5
156.02663	3.9
157.03465	4.3
159.04988	7.2
161.01723	3.7
161.02968	57.5
167.05550	2.8
169.07124	2.8
171.04944	3.0
173.02969	23.2
173.06612	45.1
175.04442	3.6
177.06050	4.9
185.03012	4.3
185.06612	55.0
187.08124	10.9
191.07680	10.2
197.03029	2.2
197.06639	4.8
199.08235	2.8
201.02370	2.3
201.05981	2.5
203.03996	18.6
203.07626	22.9
210.40230	2.0
213.05875	2.6
215.04106	4.3
215.07709	19.2
221.05098	34.3
227.07628	3.3
233.05031	3.1
233.08755	4.5
235.06607	3.3
237.02501	2.2
240.57304	2.0
245.05090	7.3
253.07594	3.0
257.08771	12.9
275.09775	79.5
293.10831	100.0
317.06680	3.0
335.08224	4.4
335.11874	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	335.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.8
58.99870	2.2
68.01196	0.9
69.03436	3.8
69.28871	1.0
70.06591	1.8
70.98125	2.8
70.99873	2.6
71.05018	1.3
71.49953	1.7
77.00913	1.6
81.03425	2.5
81.99082	1.2
82.99875	4.5
85.02457	1.1
85.02917	4.7
86.99348	1.2
89.00896	2.7
91.05515	1.5
93.04260	1.0
97.01360	2.1
97.02896	2.9
98.97630	1.9
100.00117	2.8
101.00896	43.0
103.00645	2.4
103.02446	1.8
108.08125	1.4
109.02905	3.2
109.08441	1.8
113.00877	15.4
113.04501	1.4
115.02445	7.7
118.01173	2.6
119.01941	37.4
120.02106	1.0
120.08125	2.1
121.01675	1.4
125.00856	1.3
126.01686	1.2
127.02412	4.3
127.03905	1.3
129.03944	2.2
131.01924	25.4
131.02847	1.7
131.05565	8.0
133.01666	2.2
133.03461	9.7
135.03087	1.4
137.00861	2.3
137.03011	1.2
138.01645	2.3
139.02434	5.2
141.03963	2.8
142.01178	5.2
142.03571	1.4
143.01917	50.2
144.02744	2.9
145.03481	15.8
146.99655	2.1
147.01399	1.5
147.03223	2.6
147.05086	2.9
149.02966	2.8
149.04796	1.9
149.06599	6.7
152.07095	1.1
153.04048	1.4
155.01913	22.0
155.05559	3.4
156.02701	9.1
157.01680	1.5
157.02144	1.5
157.03493	19.4
159.01448	2.9
159.05093	9.2
160.02184	4.4
161.02968	42.8
163.04425	1.4
166.01170	3.6
167.01929	4.1
167.05504	1.4
169.03481	5.9
171.01434	1.5
171.05119	5.2
172.97580	3.3
173.02982	15.6
173.04565	1.1
173.05128	1.7
173.06624	19.3
175.00932	1.9
175.02919	1.8
175.04544	6.8
177.02478	2.3
177.06099	2.8
178.12419	1.1
181.03543	2.1
183.05054	1.1
184.02164	6.5
184.04645	1.5
185.03017	11.5
185.04526	1.7
185.04865	1.9
185.06610	22.8
187.04567	5.4
187.08202	4.3
189.02451	1.3
189.06181	2.9
190.98590	2.7
191.04051	2.4
191.07693	4.4
197.03038	1.8
197.06645	2.2
199.04515	10.5
199.08159	1.8
201.02470	1.9
201.04222	1.7
201.06104	1.2
203.02328	2.2
203.04056	12.6
203.05902	2.2
203.07639	9.5
215.04010	10.8
215.07533	7.2
215.10759	1.2
217.03886	1.3
217.05591	6.4
217.09251	1.4
218.98108	1.5
219.01843	1.7
221.03175	1.7
221.05104	14.7
227.04092	2.5
227.07690	3.0
229.03760	1.5
232.99669	2.5
233.05130	9.3
233.08694	1.5
235.06653	52.5
239.04039	1.3
239.06172	2.0
241.05653	1.4
243.03593	1.4
245.05165	4.3
247.04984	2.3
251.00798	1.4
253.07729	26.7
257.08685	4.7
258.08368	1.1
263.06119	1.1
269.78140	1.1
273.08228	1.2
275.09912	31.6
289.07724	11.8
293.02066	2.0
293.10876	40.1
299.06171	1.0
303.05521	2.9
307.08820	1.5
312.07703	2.9
317.07245	26.4
317.13010	1.5
335.08234	100.0
335.11948	33.6
336.08484	2.6
353.09335	11.6
358.09732	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	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03439	0.8
53.03955	1.0
55.21948	0.8
57.03429	2.5
61.02920	3.0
61.67524	0.8
67.04808	0.9
68.91718	0.9
69.03430	5.4
70.65110	1.9
70.65434	1.0
71.04986	1.0
73.02918	1.4
81.01096	0.8
81.03407	2.7
85.02913	22.0
87.04437	1.0
91.03957	1.5
91.05486	12.6
91.99219	0.9
94.14611	0.8
97.02882	5.1
99.04478	1.2
105.41080	0.9
109.02843	2.1
119.04943	7.7
127.03908	3.6
137.05983	100.0
144.24161	0.9
145.04950	6.9
151.07535	1.2
155.07021	6.9
155.54163	1.0
163.06000	1.2
165.05557	1.5
179.07121	1.7
180.08658	3.1
203.07037	1.3
265.25989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
58.99851	4.5
65.29545	1.6
69.03423	3.8
70.99862	4.3
71.50612	2.4
74.73193	1.7
77.00920	2.9
81.03423	2.2
82.99860	8.0
83.05000	1.8
84.08139	2.8
85.02909	7.2
86.99375	2.5
87.30612	1.8
89.00893	2.8
91.02480	2.1
97.02894	2.1
97.28318	1.9
101.00888	61.7
103.00682	1.9
103.02483	3.6
105.00356	1.7
109.01661	1.6
113.00862	15.4
115.00600	2.4
115.02435	5.7
119.01929	75.8
127.02419	6.1
127.03986	2.5
129.02161	2.0
131.01913	40.4
133.01675	2.7
133.03458	17.1
136.25903	1.8
137.02966	5.0
139.02415	6.4
143.01901	23.6
144.99838	4.5
145.03487	23.8
147.01407	5.0
147.03209	3.8
147.05031	3.2
149.02957	6.3
155.01895	8.0
156.02681	4.5
156.09348	1.9
157.03487	27.5
159.01425	7.6
159.05051	4.2
160.02177	2.3
161.02972	22.1
163.04553	4.9
167.01944	2.0
168.99786	3.5
169.03459	9.5
171.01518	2.2
171.05074	3.7
172.99521	2.4
173.02991	18.5
175.02835	4.1
175.04544	12.6
177.02451	6.7
177.04039	1.8
184.02098	4.0
185.02962	11.4
187.00912	4.8
187.04507	26.2
189.02441	5.1
191.04037	8.6
196.99287	4.1
197.02966	4.4
197.31728	2.1
199.00995	2.0
199.04573	6.5
201.02574	2.6
203.03978	8.8
213.00682	2.3
215.00723	11.5
215.03984	81.8
217.05573	9.0
221.05115	14.2
227.03992	18.1
231.03583	4.1
232.04259	2.4
233.05077	100.0
234.05232	2.3
235.06645	36.0
239.06223	12.7
242.99768	4.5
245.05063	22.3
247.02986	5.2
249.08247	8.1
253.07709	21.1
257.05124	3.3
263.06149	10.1
267.09476	2.9
275.02548	9.0
275.06104	5.5
277.07767	4.2
289.07593	2.6
303.02112	4.4
303.05576	34.7
307.08679	6.2
317.07175	13.2
321.06531	6.8
335.08170	54.3
353.09164	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	333.2424
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
51.57723	1.6
53.03941	5.5
55.01863	5.1
55.05273	1.8
55.05517	25.7
55.38991	1.6
57.03440	34.9
57.07076	17.1
65.03937	3.0
67.05506	56.5
69.03413	1.6
69.07070	21.7
70.22942	4.7
71.04973	2.0
71.08622	9.0
77.03928	2.0
79.05499	75.6
81.03407	1.5
81.07063	63.4
83.04980	3.4
83.08612	7.4
84.35612	1.4
85.10181	4.3
89.06033	18.0
91.04913	2.4
91.05486	74.4
93.07049	84.8
95.04960	5.1
95.08613	40.2
97.06528	3.7
97.10184	2.2
98.98445	6.6
103.03928	2.8
103.05460	1.8
105.04558	2.9
105.07035	76.5
107.08599	46.8
109.06555	3.6
109.10158	16.7
117.07021	24.0
119.08588	51.4
121.10149	31.8
123.11650	2.9
128.06181	1.7
129.05481	8.0
129.06995	11.5
131.08588	26.0
133.10138	38.0
135.11702	25.6
143.08589	9.9
145.10126	21.8
147.08081	1.8
147.11693	22.8
149.09590	1.7
149.13261	14.0
151.09669	6.1
157.10161	8.3
159.11694	16.2
161.13254	20.9
163.14883	3.9
171.11731	11.1
173.13266	11.8
175.14841	6.8
185.13246	9.6
187.14807	2.4
199.14833	4.6
213.16376	2.8
215.18053	1.7
217.19652	2.1
231.21123	2.4
241.19521	19.9
259.20560	18.1
268.76932	1.9
275.20178	2.1
277.21631	2.8
284.69263	1.6
297.22281	2.0
315.23309	6.9
333.24271	100.0
334.24481	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	333.2424
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
53.03943	4.8
54.33152	1.2
54.34947	1.4
55.01866	3.8
55.05516	18.0
57.03440	28.6
57.07065	2.2
66.43056	1.3
67.05509	45.5
69.03405	2.2
69.07073	17.5
69.33646	10.5
71.05012	2.4
79.05500	57.0
81.03412	1.5
81.06593	3.0
81.07060	48.5
83.04952	2.0
83.08618	5.0
85.06537	1.8
91.05485	57.1
92.05793	1.7
93.07047	67.2
95.04961	5.3
95.08611	34.6
97.06531	3.6
97.10175	3.9
98.98466	8.7
103.03960	1.6
103.05460	1.8
105.07037	70.2
107.08604	37.7
109.06523	1.6
109.10165	12.8
117.07018	15.5
119.08585	50.2
121.10149	25.5
123.08066	2.1
123.11686	2.2
128.06238	1.4
129.05476	5.4
129.07005	10.0
131.08578	23.3
133.10146	31.9
135.11700	23.0
137.09717	1.2
143.08575	8.8
145.10124	19.3
147.11693	23.0
149.09613	1.9
149.13255	14.7
155.07019	1.8
157.10173	8.5
159.11703	19.1
161.13266	13.4
163.14838	4.3
171.11687	8.4
173.13286	10.3
175.14851	5.3
185.13234	8.5
187.14838	2.8
189.12761	1.7
199.14819	5.7
206.18874	1.3
213.16418	2.0
217.19470	1.7
221.83612	1.5
241.19502	23.0
243.21004	2.9
259.20575	17.5
275.20187	2.1
277.21661	4.4
315.23096	6.2
333.24261	100.0
334.24600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34399	0.4
55.05503	0.9
57.03421	0.7
67.05495	0.8
68.92119	0.4
69.03423	0.8
69.07057	0.7
70.06576	0.5
71.08633	3.3
71.50798	0.6
71.51176	0.4
72.98582	0.3
73.54020	0.3
79.05492	0.5
81.07057	0.9
83.04989	0.8
84.04509	6.6
85.02908	12.2
86.06071	1.6
88.11255	1.5
88.38365	0.4
91.05473	0.8
93.07055	1.1
95.01317	1.1
95.04951	0.5
95.08600	1.0
97.06506	0.5
98.98476	4.1
102.05544	6.7
105.07018	0.9
107.08568	1.2
109.10133	0.7
111.04449	0.6
112.03945	0.8
114.10241	0.7
119.04955	0.3
119.08577	1.0
121.06477	0.6
123.04406	0.7
129.01427	0.3
130.05013	48.7
133.10175	0.6
134.09669	2.2
137.06012	1.3
139.03952	0.5
151.03844	0.6
153.25549	0.4
156.13872	1.7
160.11250	0.5
164.07037	0.9
167.07071	0.8
172.13371	0.7
176.98898	0.7
200.12833	100.0
201.13094	0.5
220.78339	0.4
246.11284	1.5
261.20663	0.6
282.19168	0.4
324.24207	0.5
333.06528	0.4
333.11072	1.1
333.21869	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	333.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23207	0.4
55.02984	2.2
55.05509	1.6
67.05495	2.9
69.03432	1.0
69.18476	4.4
70.06602	0.6
72.05635	1.1
72.08165	24.1
79.05464	0.9
81.07050	0.8
83.04958	0.5
84.08118	0.6
85.02902	1.0
86.09709	0.9
89.86984	0.5
91.05494	0.9
93.07055	0.9
95.04958	1.2
95.08604	0.8
97.02879	1.0
97.07664	15.8
98.20705	1.0
98.98480	6.1
105.07033	1.0
107.04951	0.7
107.08580	0.6
109.02863	0.8
109.06543	0.5
111.04416	0.6
114.10300	100.0
115.21542	0.6
119.08578	0.7
121.06523	0.7
122.06051	0.8
123.04421	1.5
129.06924	0.5
137.06004	0.7
138.05519	2.7
142.05037	0.6
143.16426	0.4
150.05531	5.1
153.05495	1.0
153.12811	0.7
158.09331	0.9
163.03999	1.2
166.05064	0.8
167.07101	1.2
171.05565	0.8
192.13847	1.1
197.05988	0.6
223.07596	0.6
227.07104	1.9
229.08662	0.6
240.07707	0.8
246.93182	0.5
255.10185	0.5
273.12006	0.6
287.09161	1.5
289.23941	1.0
300.09619	0.5
301.10803	3.9
333.14023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26191	0.5
55.05505	0.7
57.03436	1.0
57.07078	0.6
62.24931	0.6
67.05498	1.6
69.07060	0.8
69.52471	4.4
70.06557	0.7
79.05500	2.3
81.07047	1.9
91.05482	3.3
93.07053	2.6
95.08595	1.8
98.20747	0.8
98.98471	9.8
100.98899	0.8
104.38201	0.6
105.07020	3.7
107.08612	1.3
109.10159	1.2
117.06999	0.7
119.08575	2.1
121.10156	0.8
121.31068	0.6
126.10046	0.5
131.08601	1.1
133.10124	2.1
137.05989	2.8
145.10095	1.1
147.04395	0.9
147.11674	1.5
159.11717	0.8
165.74693	0.7
176.98987	1.1
181.04916	1.1
185.13269	0.8
193.04796	0.7
225.58916	0.6
235.13252	0.6
241.19380	0.6
251.12706	0.6
295.50577	0.6
315.19415	0.6
333.20374	100.0
334.20651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2223
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
56.05016	0.5
59.58281	0.5
67.05474	1.1
69.07066	0.8
70.04871	1.7
79.05479	0.9
80.05018	3.1
81.07032	1.8
82.06580	0.6
84.04485	0.6
84.08150	0.6
91.05486	20.1
93.07008	1.5
95.08562	1.2
97.06496	1.0
98.06026	1.2
98.09701	1.0
98.98468	5.3
107.08546	0.8
107.56879	0.5
108.08090	1.0
109.06510	1.3
110.09664	1.5
110.39967	0.6
119.04121	0.8
119.04945	14.2
119.08551	0.5
121.06461	0.8
121.08868	0.7
122.09673	1.4
124.11195	0.6
133.10081	0.6
135.11673	0.7
136.11201	2.4
137.05983	57.6
150.12791	2.7
151.07492	0.9
152.14351	30.4
158.11699	1.7
163.07495	0.6
164.14397	1.6
168.08862	0.5
171.65761	0.5
194.11778	2.4
195.07880	0.5
196.16983	2.2
216.10269	2.7
234.14781	1.3
247.92813	0.7
258.14688	1.2
288.19592	91.2
289.19913	1.3
314.08545	0.8
317.06189	1.9
332.08841	2.7
332.22214	100.0
333.22589	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.9
59.18890	1.4
69.03430	2.6
70.02944	4.2
71.51120	2.0
84.08153	1.6
85.02903	4.1
86.09686	1.9
88.03996	75.8
93.84414	1.4
98.97591	2.3
98.97715	2.5
98.98470	38.0
100.98863	3.0
109.02871	2.5
116.98582	1.9
123.04419	3.6
123.05564	4.2
127.03941	1.8
136.06213	2.1
137.05972	3.6
148.03671	1.7
160.92392	1.6
163.03848	1.7
164.03217	4.1
167.07088	1.7
175.04739	1.9
176.98941	5.3
181.04926	1.8
185.03485	1.7
188.03256	1.5
190.01122	44.2
192.02667	2.1
199.03156	3.9
203.04233	3.7
204.02692	6.7
206.04024	3.1
207.06502	2.9
211.03165	4.5
216.02722	4.1
219.03773	6.3
220.04773	1.7
231.03735	27.2
231.05876	1.8
232.02156	6.3
234.03687	3.3
243.03752	1.8
244.02238	2.2
246.04858	35.9
250.03285	8.4
260.01569	1.6
262.03354	7.5
277.04324	20.5
287.07523	32.0
287.10645	2.3
289.04318	31.2
295.13477	1.5
315.12909	2.8
315.19568	1.6
316.05414	100.0
333.08057	22.3
333.14767	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03940	0.9
55.01858	0.9
57.03463	1.7
61.02946	1.6
65.03941	1.8
67.05507	1.9
69.03435	4.8
69.97089	2.6
71.01361	0.8
73.02921	2.3
79.05505	0.9
81.03455	1.9
84.08134	1.5
85.02917	6.8
87.04474	2.2
96.08152	1.0
97.02904	3.4
106.06576	4.2
108.08126	100.0
109.02908	1.0
123.06829	4.1
124.07610	15.6
127.03922	1.1
134.06033	11.3
136.07596	12.7
145.84085	0.8
149.43175	0.8
152.07077	68.1
154.08687	1.6
170.08136	6.8
170.09377	1.3
212.07660	1.3
219.42441	0.9
314.12344	38.9
332.13419	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	332.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05505	3.0
56.05027	3.5
57.03431	0.8
57.07065	0.8
63.98944	0.7
66.44194	0.7
67.05505	2.6
68.05026	5.2
69.07066	4.8
70.06593	1.9
71.51353	1.1
79.05496	4.7
80.05013	2.7
81.05776	2.7
81.07058	15.5
82.06581	7.4
88.07619	3.4
91.05486	11.7
93.06488	1.0
93.07048	17.6
94.06554	1.4
95.04963	2.6
95.07342	3.3
95.08607	3.5
96.08144	1.7
97.08918	1.3
98.09701	6.5
98.98472	16.2
103.05469	6.9
105.07032	1.5
107.04960	27.9
107.08606	1.5
108.08124	4.9
110.09686	100.0
111.08090	1.2
119.08559	0.8
121.06511	59.2
131.08607	1.2
133.06462	1.0
136.07603	1.4
150.11288	2.2
158.47119	0.9
166.15916	11.1
176.10629	2.2
202.12233	1.1
207.86108	0.9
208.17023	2.7
216.13799	2.5
217.14633	30.6
217.16748	1.5
218.15479	7.6
222.97545	0.8
270.24329	5.1
286.21671	20.7
314.21249	2.3
314.26993	1.5
332.22342	4.3
332.31564	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.3
57.03430	4.1
57.07082	37.1
60.80653	1.2
67.05513	11.9
69.07072	7.2
69.19632	12.1
70.06591	7.4
71.06918	1.7
71.08636	29.4
79.05506	2.6
81.07060	17.6
82.04506	1.1
83.08630	11.0
85.10196	12.7
88.07635	10.1
89.07970	2.7
91.05476	5.2
93.07053	2.3
95.08611	20.6
97.10174	6.6
98.98475	100.0
100.98875	2.7
102.09189	2.9
105.07021	5.3
106.08652	4.2
107.53916	1.2
109.10156	9.2
117.07047	2.3
119.08577	5.5
121.10133	1.7
123.11708	4.5
129.07007	1.3
131.08563	3.8
137.13330	2.1
145.10109	6.9
146.00826	1.1
157.10144	1.5
159.11658	2.7
174.99237	2.2
176.98912	7.6
183.11812	1.7
239.23741	6.2
243.16284	1.1
257.24780	3.6
313.27383	18.2
313.32983	4.2
331.15417	1.3
331.22711	5.6
331.34018	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	1.2
55.05531	0.7
57.03431	1.3
65.03941	1.2
67.05505	1.0
68.99776	1.5
69.03420	1.0
70.06622	3.6
71.51272	1.1
72.08144	1.4
79.05505	3.1
81.03384	1.6
81.07063	3.0
83.04964	2.0
84.08134	1.3
85.02901	3.6
86.09710	4.1
88.11230	0.8
91.05485	17.9
91.06022	1.5
93.07032	1.4
94.04189	1.4
95.04987	4.1
97.02915	1.7
97.06533	1.0
98.98473	100.0
100.98901	2.2
103.05489	4.3
105.07053	3.4
107.04962	12.9
109.02895	1.1
109.06538	2.4
109.10183	1.2
111.04448	1.3
115.05448	1.7
116.99507	2.1
117.07001	1.9
119.04944	10.5
120.08177	0.9
121.02851	2.0
121.06495	4.8
122.03653	4.2
122.06900	0.9
123.04446	5.1
127.03946	1.4
127.08704	1.1
128.06219	2.1
129.07013	9.1
131.04953	3.1
131.08617	2.0
133.06462	1.8
135.04451	1.7
135.08086	3.4
136.05237	1.4
137.02382	1.2
137.05988	41.7
139.03905	11.2
141.06978	0.8
142.05022	2.3
143.04933	1.7
145.06514	2.6
147.04442	2.6
147.07910	1.0
148.05284	1.3
149.06009	9.1
151.04010	3.7
151.07556	47.4
152.06198	2.6
153.01842	3.2
153.06975	0.8
155.08516	1.1
157.06519	6.4
161.05998	8.5
161.09624	2.8
163.03885	1.3
163.07545	11.7
165.05653	1.1
165.06941	6.1
165.09149	1.9
166.07822	1.3
167.07211	0.8
167.08557	11.0
168.05728	0.8
169.06487	1.7
173.02379	2.2
174.06816	3.3
174.99231	2.7
175.07553	3.0
176.04735	1.1
176.98935	7.1
177.05511	1.3
177.06912	0.9
177.09161	1.5
178.07817	3.2
179.03442	5.1
179.07054	3.9
179.08549	1.9
181.06546	2.3
182.07300	1.2
183.08130	1.8
185.05995	0.9
185.16432	0.9
187.07576	2.2
189.09119	18.5
190.05087	1.6
190.12279	1.1
191.03445	1.9
191.08600	0.8
193.06520	3.5
193.10202	3.2
194.07289	1.2
195.02905	7.9
195.08058	12.5
196.08942	0.8
197.06015	4.2
197.09695	1.2
199.07489	1.2
200.13026	1.0
201.09129	1.0
203.08627	1.7
205.06573	0.8
205.08545	1.1
207.08260	0.8
207.10217	3.3
209.06055	1.7
209.09691	2.3
210.06784	4.9
211.07582	2.7
211.63745	0.8
212.08345	2.2
213.05495	1.1
217.15530	0.9
221.06142	4.6
221.09572	5.6
223.07552	5.3
224.08360	2.1
225.05611	1.2
225.08995	4.1
227.07016	2.0
227.10657	14.1
229.08496	0.8
234.06883	0.9
237.09207	1.8
238.06314	2.8
239.06992	4.9
239.10818	0.9
240.07875	2.2
249.09151	3.7
252.07823	1.6
252.99826	1.3
253.08665	6.6
253.12276	6.4
254.09190	0.8
255.06415	1.7
255.10204	15.0
257.08081	3.6
259.13196	0.8
267.06693	2.2
267.10162	1.7
269.08197	2.7
269.11618	1.2
272.06842	1.6
272.10428	1.4
281.11780	3.6
284.10867	1.0
285.07654	5.9
285.11295	11.0
287.12808	20.3
313.07190	2.3
313.14438	6.6
315.05157	1.2
316.09222	1.0
331.08179	5.6
331.11853	6.2
331.15424	1.5
331.20981	2.5
349.12820	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	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
54.77431	0.9
54.92779	0.9
55.01859	1.7
55.05482	1.3
65.03919	1.7
69.03411	1.2
71.51009	1.4
79.05504	4.7
81.03403	1.2
81.07052	2.4
83.04951	1.3
85.02382	1.0
85.02901	2.1
88.11263	3.0
91.05486	26.9
93.07037	2.0
94.04182	3.0
95.04980	6.9
95.08622	1.5
97.02857	1.3
97.06557	1.6
98.98473	100.0
99.04460	1.5
100.98859	1.8
103.05467	4.0
105.07020	4.6
107.04958	13.6
109.02848	1.4
109.06509	4.5
111.04429	2.4
115.05456	2.9
116.99458	1.8
117.03443	0.9
117.07027	1.8
119.04973	14.3
119.08552	1.7
121.06499	4.5
122.03642	5.9
123.04419	2.1
128.06224	4.4
129.07010	12.8
131.04933	5.2
133.06508	2.1
135.04382	1.7
135.08064	5.6
136.05191	2.8
137.05986	64.4
139.03891	3.2
141.07002	1.1
143.04921	1.1
145.06485	3.1
146.07312	1.2
147.04483	1.8
147.08014	1.3
148.05095	2.0
149.02293	1.1
149.06003	12.0
150.06854	1.0
151.03973	5.0
151.07555	70.9
152.06194	3.5
153.01834	1.4
153.06956	1.7
155.06053	1.8
157.06517	11.4
161.05984	10.8
161.09607	3.8
162.06750	1.4
163.07567	17.4
165.07021	12.1
165.09145	4.5
166.07697	1.1
167.07191	1.3
167.08556	13.3
169.06462	2.2
174.06758	4.9
174.99245	4.1
175.07539	4.4
176.98897	6.9
177.06996	1.9
177.09091	2.7
178.07861	4.8
179.03380	1.7
179.07091	1.6
179.08539	2.2
181.06461	5.4
182.07158	5.0
185.05919	1.6
187.07614	1.4
189.07407	1.5
189.09113	25.9
191.03296	1.8
191.08566	1.8
192.09302	2.5
193.06432	7.4
193.10191	6.3
194.07249	3.5
195.02956	6.0
195.05544	2.2
195.08061	18.4
197.05984	4.5
200.12871	1.6
203.08546	1.7
205.06447	1.2
206.07307	1.5
207.08130	1.7
207.10126	3.1
209.05956	2.1
209.09598	2.9
210.06775	8.4
211.07573	5.3
212.08397	4.7
217.15547	1.4
220.08774	1.3
221.06020	8.1
221.09561	10.1
223.07527	9.7
224.08304	4.4
225.05469	2.6
225.09062	10.7
227.06981	4.3
227.10670	21.2
228.07785	1.6
229.06007	1.8
235.07506	1.7
237.09113	2.6
238.06303	4.0
238.09921	1.4
239.07088	3.9
240.07814	1.8
241.08672	1.4
241.12457	1.8
249.09132	6.3
251.06923	1.4
252.07799	2.8
252.99597	1.5
253.08621	12.3
253.12233	10.7
254.09030	1.6
255.06552	2.8
255.10197	23.7
257.07925	2.2
267.06985	0.9
267.10190	3.2
269.08038	3.5
269.11795	1.8
270.08807	1.4
271.07056	2.1
271.09695	1.2
272.10458	3.1
281.11752	3.7
284.10739	1.4
285.07883	6.4
285.11252	13.8
287.12793	32.7
295.07224	1.7
299.09229	2.5
299.12585	1.4
301.03302	1.9
313.08188	5.8
313.14362	10.2
316.05823	3.7
331.08344	8.9
331.11792	8.6
331.15460	5.5
331.20667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66803	1.0
55.01875	2.2
55.05496	1.2
65.03970	1.0
67.05509	2.2
69.61495	5.8
71.69196	0.9
76.46472	1.0
79.05482	3.8
79.90578	1.0
81.07053	3.5
82.15504	0.9
91.05486	19.7
94.04169	2.0
95.04963	3.9
97.06551	1.0
98.98471	100.0
100.98914	1.3
103.05456	3.2
105.07016	3.2
107.04965	4.7
109.06512	2.6
109.10136	1.0
110.06251	0.9
111.04465	0.9
115.05452	1.9
116.99442	1.3
117.06998	2.1
119.04948	9.1
119.08634	1.3
121.06512	3.4
122.03647	4.3
123.04466	2.3
123.08067	1.5
123.11687	1.2
128.06216	2.5
129.07004	9.2
131.04886	2.8
131.08568	2.5
133.06485	1.2
135.04478	1.3
135.08032	3.8
136.05212	1.9
137.05983	40.0
139.03918	2.4
145.06485	2.1
145.10217	1.1
146.03648	1.1
149.06029	6.2
151.03915	2.5
151.07556	50.9
152.06190	1.8
153.07001	2.2
157.06497	7.1
161.06006	5.2
161.09595	1.5
163.03915	1.0
163.07562	8.7
165.05702	1.8
165.07001	8.2
165.09143	2.6
166.07797	2.1
167.07191	2.0
167.08525	8.0
174.06787	2.5
174.99181	3.2
175.07533	2.9
176.98950	6.5
177.05557	1.1
177.06978	1.5
177.09157	3.0
178.07776	2.8
179.03429	2.0
181.06480	3.6
182.07298	2.4
183.08018	2.0
187.07532	1.3
189.09105	18.4
192.09309	1.3
193.06512	3.5
193.08504	1.1
193.10124	4.8
194.07277	2.3
195.04463	1.2
195.08081	13.7
197.05991	4.2
197.09680	1.3
199.07617	0.9
203.08617	1.4
204.97424	1.1
206.07327	1.5
207.10202	3.3
209.06004	1.7
209.09604	1.3
210.06721	5.5
211.07538	4.2
212.08347	1.5
221.05974	6.6
221.09628	4.3
223.07483	5.1
224.08360	3.3
225.05460	1.2
225.09108	5.8
227.07127	2.2
227.10681	14.7
228.07529	1.0
235.07582	1.0
237.09108	2.5
238.06238	2.4
238.09999	1.2
239.06911	2.3
239.10600	1.2
240.07802	1.6
241.08568	1.6
243.10085	1.0
244.65764	0.9
249.09123	4.0
252.99664	1.2
253.08638	9.4
253.12248	8.1
255.06439	1.1
255.07326	1.2
255.10201	16.5
257.08038	1.1
259.13693	0.9
267.10175	3.4
269.08051	2.8
269.11682	2.1
270.08789	1.4
272.10437	1.7
281.11777	2.8
285.11179	11.6
287.12793	25.1
299.08725	1.0
313.14435	7.3
313.17728	1.8
331.08405	1.4
331.11758	13.0
331.15442	3.0
331.20886	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01864	1.9
57.71966	1.7
65.03943	2.6
70.30442	6.0
79.05482	5.0
81.07063	2.6
91.04980	2.4
91.05495	34.5
94.04173	4.9
95.04958	7.1
98.98476	55.7
100.98914	1.8
103.05471	6.8
105.07029	6.1
107.04935	5.9
109.02895	2.1
109.06514	5.4
115.05396	3.9
119.04941	24.1
121.06518	8.2
122.03647	9.7
123.04414	2.7
128.06236	5.6
129.07016	20.2
131.04903	4.9
133.06516	2.0
135.08003	6.0
136.05185	3.9
137.05983	87.6
143.04965	3.0
145.06450	2.8
147.04398	2.9
147.08093	2.9
149.05992	14.4
151.03925	3.7
151.07553	100.0
152.06284	4.1
153.07021	3.7
157.06497	15.4
161.06007	15.0
161.09607	3.8
163.07570	21.8
165.06996	15.5
165.09148	4.6
166.07724	3.7
167.07190	2.8
167.08569	18.3
174.06776	5.5
174.99176	1.9
175.07571	2.8
176.98911	5.2
177.09146	3.4
178.07745	8.1
179.03441	1.8
179.08569	3.8
181.06470	5.5
182.07291	4.7
183.08089	2.0
189.07407	2.7
189.09116	38.0
190.12215	2.1
193.06479	6.8
193.10173	9.3
194.07288	3.7
195.08052	30.2
197.05980	7.9
202.07751	2.2
203.08534	2.0
205.06546	2.2
206.07300	3.2
207.08116	2.8
207.10165	5.3
209.05934	2.9
209.09671	2.6
210.06750	11.3
211.07596	4.4
212.08382	4.3
220.08801	2.4
221.06042	11.2
221.09659	12.7
223.07568	11.3
224.08368	3.5
225.05522	2.5
225.09135	11.3
227.07158	2.9
227.10683	29.3
235.07643	2.2
237.09184	3.6
238.06218	7.6
238.09717	1.7
240.07903	4.8
241.08601	2.9
249.09027	5.2
252.07918	2.6
253.08667	15.3
253.12260	15.5
255.10178	35.1
267.10184	4.8
269.08026	4.6
269.11874	2.6
272.10294	4.4
281.11752	8.6
284.10458	3.0
285.11224	21.5
287.12808	48.5
313.14429	14.4
331.11868	3.5
331.16101	3.3
353.05869	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01552	0.7
53.03941	0.8
55.05502	2.3
58.11047	0.7
67.05493	3.5
69.07069	1.4
69.38583	6.6
79.05494	2.3
81.07060	3.9
91.05495	1.8
93.07052	2.6
95.04984	0.8
95.08633	1.9
97.06497	1.3
98.09693	1.7
98.21524	0.9
98.98473	100.0
105.07030	2.3
107.08611	2.1
116.99542	2.0
119.08572	1.7
121.10147	1.4
135.11716	1.0
147.11694	1.4
156.06573	1.6
174.99239	7.9
175.99641	1.2
176.04315	0.8
176.98952	2.1
198.18655	1.0
204.37994	0.9
245.10516	0.7
246.70227	0.7
275.20236	1.6
328.09033	1.4
328.21808	1.5
349.33276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01856	1.1
55.05501	0.6
56.05029	0.9
56.96544	2.1
57.03434	1.5
58.99586	4.2
65.03918	1.3
67.05499	3.1
68.05011	1.2
69.07070	5.7
70.66247	2.1
74.00657	0.7
76.02225	6.3
79.05499	4.7
80.04985	1.6
81.06599	1.2
81.07055	18.0
82.06568	1.0
83.06104	8.9
84.04481	2.4
84.08116	0.7
86.00652	2.8
86.99052	3.2
87.02699	7.0
89.03938	0.7
91.05450	2.2
93.05782	0.9
93.07079	0.7
94.06568	14.7
95.04955	2.4
95.08589	2.0
96.04504	0.8
97.06512	1.8
98.98466	60.9
99.08098	1.4
100.70313	0.6
100.98870	1.1
105.00075	1.8
105.07005	0.9
108.08115	1.9
110.06033	4.0
110.97593	0.6
112.07586	2.0
113.04268	0.9
115.05769	0.7
116.04968	3.1
116.99475	0.7
122.06028	27.1
123.04406	2.1
127.05751	0.7
129.06598	14.9
130.04994	0.6
130.06804	0.9
134.05992	0.9
140.07062	37.0
141.04787	0.7
141.07841	2.7
142.05019	1.0
142.08681	0.8
144.04451	8.2
146.06001	15.6
147.06822	1.0
148.07574	6.5
151.04010	0.8
153.06618	0.6
156.08424	8.6
157.06841	5.7
162.05531	4.2
164.07100	0.7
169.04997	0.9
170.02711	0.8
172.03940	24.1
172.05440	1.3
174.05472	2.2
174.09465	7.2
174.99184	2.0
176.98920	3.9
177.01868	0.7
187.05389	1.9
189.77104	0.6
190.04990	100.0
191.05460	1.3
192.06519	7.4
203.07286	1.3
210.11258	1.9
211.02945	0.7
215.04913	0.8
228.03401	1.2
233.05853	4.9
246.04378	5.0
247.06013	0.7
248.46866	0.5
252.99846	0.9
264.05511	1.9
286.10657	1.8
308.04428	1.8
313.11887	6.2
331.08542	1.5
331.13120	24.1
347.86978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68425	1.0
55.05516	1.7
63.08464	0.9
67.05489	3.8
69.07069	2.0
70.24385	3.5
79.05490	3.0
81.07061	5.4
89.95845	1.0
91.05479	2.5
93.07040	1.6
95.04947	1.5
95.08604	2.6
97.06527	1.1
98.09661	2.2
98.20852	1.2
98.98476	100.0
105.07032	2.3
107.08582	2.1
109.10131	1.7
116.99519	1.4
119.08562	1.9
129.72614	1.1
135.11633	1.9
147.11647	1.7
159.11720	1.5
174.99257	7.9
175.99602	1.5
176.98953	3.2
214.27284	1.1
275.20129	1.5
312.46323	1.1
328.18872	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
55.05515	18.2
66.42703	1.0
67.05509	7.0
69.03427	4.0
69.07060	4.5
71.10836	1.0
71.51163	1.2
79.05499	11.5
81.07044	5.8
83.05000	1.6
83.08620	15.3
91.05483	6.0
93.07056	4.1
95.08616	3.6
97.10178	29.4
98.98471	100.0
105.07030	4.6
107.08596	31.3
109.06509	1.2
109.10139	1.5
116.99479	2.5
117.07031	2.4
119.08593	1.9
121.06488	1.5
125.09635	26.1
133.10153	3.3
135.08051	3.1
135.11734	1.1
143.10649	1.7
145.10159	3.0
147.11700	1.6
171.10185	4.1
174.99266	8.9
175.03996	1.1
175.99541	1.2
176.98999	2.2
181.12340	1.5
188.96478	1.3
189.11224	35.5
214.96689	1.0
230.33482	1.1
247.52927	1.1
257.19116	3.1
275.20099	25.1
328.25134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.05523	9.0
57.07072	2.4
67.05512	19.9
69.03439	2.6
69.07063	10.5
69.25317	4.1
69.25708	16.6
71.04996	1.9
73.96619	2.0
77.03941	3.0
79.05515	12.7
81.07065	17.2
83.08629	3.2
91.05484	23.0
93.07055	38.2
95.04977	51.5
95.08617	34.7
97.06548	9.1
98.20704	3.7
98.98477	100.0
103.05471	2.4
103.17699	1.8
105.04525	4.0
105.07038	35.6
107.04970	2.6
107.08599	20.4
109.06516	6.1
109.10156	11.1
109.28049	1.7
117.07026	10.7
119.08597	36.2
121.06528	10.0
121.10153	21.1
123.08102	4.1
123.11720	3.9
128.06181	3.6
129.07005	4.3
130.07799	3.3
131.08578	15.8
133.06474	1.9
133.10146	24.7
135.08066	4.8
135.11725	5.1
137.09666	2.3
142.07797	8.0
143.08600	8.7
144.09335	4.2
145.06551	2.2
145.10130	21.7
147.07999	2.1
147.11693	7.3
149.09589	1.9
149.13324	2.4
152.06261	10.1
153.07019	12.9
155.08563	3.9
156.09348	3.4
157.10161	18.3
158.10884	2.2
159.11708	18.9
161.09653	9.4
161.13319	2.8
166.07831	1.9
167.08617	3.4
168.05676	2.7
169.10208	5.0
171.11736	9.9
173.13255	9.2
174.99251	12.6
175.14845	9.5
181.10129	2.8
182.10944	2.5
183.11714	7.3
185.13292	4.5
187.11163	3.6
187.14815	6.1
191.14336	2.2
193.10141	2.3
195.11823	3.0
197.13257	5.3
199.14900	6.6
201.16353	2.9
205.15991	2.1
207.11827	2.1
209.13211	3.4
211.14854	5.5
213.16388	2.0
215.02594	2.8
215.14267	2.9
221.13333	2.8
223.14761	2.6
225.16412	3.3
227.14441	2.2
228.09314	3.1
228.65707	1.9
233.03661	12.4
235.14742	2.4
251.00139	2.3
251.04732	6.0
253.15944	3.5
253.19475	2.1
306.63818	1.7
309.22095	4.0
327.07837	50.6
327.23221	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	327.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05505	0.7
56.33754	0.3
57.03442	0.4
65.23801	0.4
67.05492	0.9
67.20977	0.3
68.99805	0.3
69.03412	0.5
70.39050	1.1
77.01605	0.9
79.05486	1.0
81.03407	0.5
81.07047	0.5
81.83850	0.4
83.66911	0.4
84.04507	0.4
87.47792	0.4
91.05476	4.2
93.07053	0.5
95.04975	0.9
95.08640	0.6
98.98470	100.0
103.05453	0.8
105.03412	0.4
105.07038	1.0
107.04967	0.7
109.06549	0.6
109.10148	0.6
116.99494	1.3
119.04951	1.9
119.08591	0.5
120.05743	0.5
121.02856	0.4
121.06491	0.8
123.04431	9.5
124.39674	0.4
131.04941	1.0
133.06465	0.9
137.06004	3.3
139.03937	0.6
139.07516	0.6
143.62457	0.4
147.04422	15.0
148.05257	1.8
149.06039	0.8
151.03885	0.5
151.07582	0.5
161.05994	0.6
163.03914	2.7
163.07568	1.1
165.05455	0.5
168.26299	0.4
174.99240	10.8
175.03917	47.7
176.04695	4.6
177.05476	0.9
187.03946	0.7
189.05489	5.1
203.03455	1.1
203.07008	0.5
205.04974	10.5
212.02922	0.8
217.05023	1.0
235.13336	1.1
251.00089	1.1
267.08228	0.6
281.08179	1.0
309.09653	5.8
309.17133	0.6
327.08838	32.6
328.08734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0866
Annotation	Millettocalyxin A
Peak:m/z	Relative Intensity
53.03957	0.4
55.01876	0.9
55.05505	0.9
65.03947	0.9
67.05499	1.0
67.20972	0.3
68.99799	0.6
70.06593	0.5
70.29108	1.2
77.01640	0.5
77.03942	0.7
79.05502	2.1
81.07063	1.7
83.05005	0.5
84.04552	0.5
84.08133	0.4
89.06055	0.6
91.05490	8.4
93.07037	0.8
94.04192	1.6
95.04962	0.6
95.08628	1.3
98.98472	72.6
103.05471	7.8
105.03411	0.4
105.07036	4.9
107.04967	1.7
108.05775	0.5
109.06551	1.0
109.10183	1.2
110.67505	0.4
115.05452	0.9
116.99525	1.2
117.07027	0.6
119.04939	4.4
120.05749	0.9
121.02878	1.5
121.06504	2.6
122.03658	3.4
123.04433	14.5
123.05333	0.7
123.08089	0.4
128.06209	0.5
131.04938	10.4
133.06500	14.7
135.08063	5.2
137.05989	41.2
143.04939	0.8
145.06509	3.2
147.04419	28.3
148.05208	2.6
149.06004	1.3
151.07555	5.4
157.06531	1.4
159.04443	0.7
161.06020	0.7
163.02559	0.8
163.03917	13.0
163.07550	21.0
165.05449	0.8
165.09198	0.4
169.38579	0.4
171.08029	0.9
174.99266	8.7
175.03917	100.0
175.07468	1.9
176.04691	8.0
177.05455	1.3
177.09109	0.5
179.08589	0.4
187.03917	0.6
187.07475	0.8
189.05469	10.2
189.07071	0.8
189.09097	0.7
197.00603	0.4
203.03400	1.1
203.10664	0.8
205.04971	17.9
217.05009	2.1
217.10199	0.5
220.08910	0.4
225.09369	0.4
235.07639	0.6
235.11154	1.0
239.10880	0.4
251.00043	1.2
263.07159	0.7
263.10641	1.6
281.08084	1.6
283.17288	1.3
295.13281	3.8
309.07425	2.9
315.55545	0.4
325.00638	0.4
327.08566	78.0
327.16095	2.9
327.19778	1.1
328.08902	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23070	1.1
55.01869	2.4
56.96540	1.4
57.03431	5.9
69.03432	2.7
69.79145	3.3
69.79554	5.0
70.02963	6.9
70.06601	2.0
71.01353	2.3
82.99866	4.0
84.02979	2.1
84.08137	5.7
85.02895	2.7
94.99844	2.8
97.02902	4.4
98.97574	6.2
98.98474	35.1
101.00278	2.8
101.00890	29.1
113.00870	23.0
115.02436	2.2
115.03907	2.7
116.98638	2.1
119.01921	31.4
128.01994	1.5
128.58157	1.7
130.08675	2.1
131.01909	29.1
133.03467	3.1
136.55498	1.4
137.02937	2.3
139.02440	2.4
143.01880	9.7
149.02966	1.6
153.01474	14.2
155.01917	21.0
157.03471	19.9
157.48940	1.4
161.02953	18.8
165.06622	2.4
166.07283	2.9
167.01895	7.7
170.02989	1.5
171.02521	67.0
172.02763	1.9
173.02982	25.7
174.97696	2.0
174.99251	3.5
175.04533	4.9
177.01347	2.2
179.00674	2.0
182.02985	2.7
185.02960	22.5
189.03575	100.0
190.03616	2.2
191.03964	3.1
194.04109	1.3
195.02499	17.1
197.02858	1.7
201.00960	2.8
203.03857	1.7
207.00497	2.2
207.02509	13.4
209.04190	1.7
213.03578	97.5
214.03804	3.0
215.03996	11.3
216.98672	3.1
217.22929	1.7
219.02153	2.0
220.02211	2.4
221.01833	3.2
225.03586	38.5
227.05104	6.0
231.04628	45.7
233.05074	25.8
237.03593	9.4
239.55208	1.6
242.98868	3.3
243.02216	2.4
243.04607	9.3
249.03661	1.8
255.04562	14.3
260.99823	6.4
262.03119	3.7
264.59604	1.6
267.04593	4.7
271.03223	2.3
279.00784	4.5
284.99911	20.0
285.05676	4.7
299.02847	3.5
303.01105	14.9
303.06833	3.6
317.04065	7.4
327.06732	78.1
328.06931	3.1
345.03256	13.4
345.07806	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	326.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
53.47720	1.2
55.01867	1.7
55.05513	14.5
57.03450	7.7
57.07080	3.2
65.03941	1.7
67.05511	64.5
69.03425	1.9
69.07072	9.0
70.06605	6.2
70.85475	2.6
70.85850	2.4
71.05000	18.6
79.05067	2.1
79.05501	29.4
81.03404	1.5
81.07064	49.0
82.69608	1.2
83.04988	3.0
83.08615	4.3
84.04042	2.5
84.04510	25.2
85.02902	2.8
85.06525	1.8
85.36436	1.4
91.05489	16.9
93.07050	30.7
95.04996	9.5
95.08615	100.0
98.98473	46.5
102.05553	11.2
103.05489	1.4
105.07039	22.1
107.05004	1.3
107.08607	17.4
109.06545	5.0
109.10165	58.5
113.09653	14.5
114.05540	2.2
116.07085	7.2
117.07031	3.3
119.08593	31.8
121.10196	8.0
122.20104	1.4
123.07224	1.6
123.08041	6.2
123.11738	1.6
127.48256	1.4
130.05006	17.1
133.10133	8.8
135.11707	9.0
137.09630	11.1
139.03996	1.6
140.04234	1.5
148.06056	38.1
149.13281	5.2
151.14832	32.9
161.13280	13.7
163.03958	2.2
174.99232	4.2
176.72076	1.3
179.14325	23.1
196.13332	2.4
214.72404	1.5
244.59294	1.6
294.20651	2.5
308.18665	1.2
308.22192	2.0
326.11383	3.0
326.19662	27.7
326.23492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60515	1.0
53.03944	2.5
55.01880	2.9
55.05517	12.5
56.05032	1.2
56.25997	1.4
57.03440	7.2
57.07073	3.3
59.04963	1.0
65.03932	1.8
67.05507	64.7
68.99782	1.5
69.03421	2.0
69.07068	8.4
70.06577	5.2
71.04978	4.2
71.51151	1.2
72.08164	2.2
79.05077	1.7
79.05502	28.1
81.03407	4.6
81.06593	2.3
81.07059	45.8
83.04993	3.3
83.08619	3.1
84.04506	29.5
85.06519	1.8
91.05488	18.0
93.06493	2.0
93.07048	29.1
95.04990	8.6
95.08611	100.0
98.98470	42.8
101.98003	1.2
102.05544	9.8
103.05408	1.5
105.04515	1.4
105.07025	19.6
107.04957	2.2
107.08591	16.3
109.06525	7.4
109.10159	50.2
110.07109	1.4
111.04443	2.2
111.08080	1.5
114.10291	2.4
117.06998	1.5
118.60034	1.2
119.07813	1.9
119.08596	27.3
121.06491	3.8
121.10149	7.0
123.08065	6.2
129.07005	1.3
130.05014	16.4
131.05014	1.2
131.08640	1.7
133.06467	3.0
133.10168	7.0
135.08063	1.5
135.11691	9.9
137.06000	7.2
137.09630	9.1
137.13206	1.4
139.03912	36.5
140.04243	19.4
142.04950	1.3
148.04871	1.6
148.06050	28.0
149.13283	3.4
151.14810	26.9
154.07312	1.2
161.13260	10.3
163.03941	3.9
163.07513	2.6
164.04218	2.7
174.99239	4.2
175.07439	1.6
179.14313	23.3
182.06841	1.9
188.07700	1.3
193.08607	1.7
200.07906	3.2
234.15089	1.2
256.11713	1.8
280.06912	2.1
280.19095	1.4
284.06171	1.5
296.06281	3.3
326.11105	29.9
326.19629	33.2
330.23340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75084	1.3
53.03949	2.2
55.01876	2.1
55.05518	7.5
56.05042	2.6
57.03432	5.7
57.07080	1.9
59.05016	2.2
61.01784	1.2
67.05517	20.3
69.03439	1.6
69.07077	5.0
69.31149	1.7
69.31485	12.3
70.06590	2.8
71.04993	6.0
79.05499	68.4
80.05022	1.3
81.03421	17.6
81.07056	20.6
82.06578	2.7
83.08624	2.3
84.04514	29.0
85.02904	2.4
91.05486	9.6
93.07041	13.6
95.04954	4.6
95.08615	40.5
97.08921	3.5
98.20783	2.4
98.98476	89.9
100.11256	3.2
102.05550	9.0
103.76596	1.5
105.07043	15.5
107.08603	100.0
108.08978	1.6
109.06513	3.5
109.10164	20.8
111.04431	2.0
112.03996	1.6
114.05542	2.7
114.10245	1.3
117.07075	1.7
119.08590	14.1
121.06445	1.8
121.10157	7.2
123.04470	1.5
123.08070	8.6
130.04990	13.1
133.10136	10.1
135.11659	1.9
137.05954	1.7
137.09634	2.0
139.03908	13.0
140.04247	8.8
142.05070	1.9
148.06070	21.9
149.13274	89.6
150.13666	2.7
151.14803	23.6
157.29327	1.3
158.04494	2.7
161.13258	25.0
161.14467	2.4
163.03935	2.2
166.00223	1.2
167.07014	1.2
174.99225	9.8
175.03941	3.9
179.14328	32.8
182.11841	2.2
210.07550	1.7
228.12349	21.1
246.14844	2.3
280.19022	2.8
284.06500	1.6
295.85193	1.3
326.11050	14.3
326.16135	2.2
326.19714	10.6
327.08417	2.8
327.12036	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
67.05493	0.9
69.07059	0.8
70.34460	2.5
79.05465	2.5
80.04980	1.7
81.03381	0.9
81.07035	2.0
84.04512	6.0
85.02903	8.5
88.30477	0.6
91.05492	1.3
93.07059	5.8
94.06569	1.0
95.07346	0.6
95.08585	1.2
96.08100	0.8
97.86583	0.6
98.21446	0.6
98.98450	2.3
102.05515	1.4
105.07065	0.8
107.08573	2.8
108.08121	20.8
108.08867	1.0
109.08935	0.8
110.09682	2.1
114.05493	1.4
116.78516	0.5
119.08556	1.5
120.08144	0.8
122.08774	0.9
122.09667	12.6
123.10452	1.6
131.03418	0.7
133.10069	0.7
134.09659	0.9
135.11693	6.2
136.11208	4.0
150.12796	24.2
150.14000	1.6
151.13559	8.7
152.14346	7.7
153.12749	0.7
161.13228	1.0
165.77934	0.6
166.12253	0.7
190.15874	1.2
208.13327	1.5
210.07614	2.3
210.14839	0.7
213.76659	0.6
236.16461	1.7
252.12318	2.2
262.25696	0.7
280.15396	1.0
282.17007	100.0
283.17407	1.7
284.18604	2.9
287.77393	0.6
293.91129	0.7
326.19629	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75902	0.4
55.01862	0.6
55.05501	0.7
57.03414	0.7
67.05490	0.7
68.04997	0.9
69.03439	2.4
69.07037	1.0
70.03756	1.0
71.04948	0.7
71.29031	0.7
71.29375	0.6
79.05501	2.4
80.04989	1.0
81.03421	3.8
81.07024	1.5
81.24042	0.5
82.03726	1.2
82.06584	0.8
84.04506	6.7
85.02901	9.1
87.04471	0.7
91.05449	1.1
93.07046	6.0
94.06557	0.5
95.08579	0.9
96.08125	0.6
98.02395	0.7
98.98449	2.8
99.04413	1.4
100.04773	0.5
102.05522	1.5
105.06999	0.7
107.08580	3.1
108.08125	21.0
109.08927	1.1
110.09634	3.2
114.05517	1.5
118.06504	1.4
121.10087	0.8
122.09673	11.9
123.10431	1.8
130.04967	0.7
131.03392	0.8
135.11696	5.5
136.11223	3.8
142.04973	0.6
145.07649	0.8
146.07953	0.9
147.09106	0.9
148.09489	0.7
148.11299	0.5
150.12782	23.2
151.13564	8.8
152.14348	8.4
173.07022	1.5
174.07454	2.3
175.08676	0.6
176.09044	0.7
176.10654	0.9
182.11665	0.6
190.15862	0.7
191.08171	9.2
192.08511	16.4
208.13297	1.5
210.07613	1.3
228.12296	1.3
236.16437	1.6
238.10698	1.1
240.12122	0.6
252.12273	1.9
263.71024	0.6
282.17007	100.0
283.17413	1.4
284.18454	2.8
308.13248	8.4
326.14291	4.3
326.19632	60.5
327.19995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81265	1.4
53.03936	4.6
55.01865	3.8
55.05512	21.3
56.05024	4.3
57.03429	6.6
57.07072	2.3
59.85992	1.4
65.03944	1.9
67.05183	1.6
67.05509	17.6
68.05022	7.8
69.03419	6.0
69.07059	12.3
69.93954	7.0
70.06577	2.7
71.04976	5.1
79.05494	34.6
80.05024	3.6
81.03430	2.3
81.07061	66.6
82.06583	21.0
83.04974	7.0
83.08615	5.1
84.04510	60.7
85.02921	11.7
85.06550	1.9
86.06059	1.7
87.04469	2.9
91.05499	9.5
93.07042	20.6
93.70216	1.5
94.06580	11.7
95.04958	4.2
95.08614	22.9
96.04496	4.5
96.08113	3.9
97.02898	3.0
97.06536	33.9
97.08912	16.2
98.09704	11.0
98.98473	64.9
99.08104	2.1
102.05540	12.4
105.07021	5.0
107.08611	16.2
108.08134	3.2
109.06550	8.2
109.10176	8.3
110.06034	6.3
110.09663	1.9
111.08085	18.7
114.05540	21.5
119.08575	5.3
121.06536	3.2
121.10161	4.3
122.05988	4.1
122.09676	8.2
123.08090	11.5
127.09863	2.2
128.07056	4.6
129.69362	1.5
130.05019	19.1
131.03412	2.2
133.10057	2.3
135.11671	6.8
136.07358	1.4
136.11194	6.9
137.05994	2.3
137.09657	2.0
138.05507	2.7
138.09042	1.5
139.03899	3.7
140.07086	4.8
142.04985	17.9
147.04445	2.4
153.01808	6.8
153.12749	16.9
156.06578	8.5
161.13266	5.1
163.03925	2.0
164.04222	2.1
164.10745	13.5
168.06548	7.2
174.99275	7.6
175.03958	7.9
177.12524	1.5
179.14319	28.4
182.11792	12.7
192.10144	4.9
195.16257	10.9
195.17845	1.6
200.12839	2.4
202.10742	2.6
210.11269	11.3
228.12323	100.0
254.13834	10.3
256.11819	12.4
280.19077	1.9
282.17062	3.3
326.11118	4.8
326.19647	10.8
326.23169	3.5
327.08670	5.0
340.02054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0871
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
55.01864	1.4
57.03422	1.8
57.50363	0.9
58.86068	0.8
63.02366	0.9
65.03922	3.5
67.05492	1.1
69.03423	1.5
70.56619	2.5
79.05463	1.2
80.05002	1.4
81.03428	1.1
83.01325	2.1
84.02120	2.1
85.02887	3.6
90.03461	8.5
91.05478	1.3
92.04987	2.5
93.03416	1.6
94.06537	1.1
94.72810	0.9
95.04986	4.6
96.04501	0.9
97.02881	3.7
98.98469	23.2
107.03693	2.5
108.04475	2.7
109.02861	3.0
109.05299	1.2
110.03663	2.5
112.03993	1.2
118.02917	6.0
118.06567	1.3
119.03722	1.0
120.00840	1.1
120.04440	3.4
122.02351	1.6
122.06014	1.8
123.04388	2.4
123.39867	0.8
124.05199	2.3
125.06018	13.4
132.04424	1.4
133.01637	1.0
133.62125	0.9
134.06003	1.2
135.03156	11.8
136.03931	6.6
137.04735	2.3
140.07057	3.3
146.05917	1.0
148.03934	3.5
148.07584	1.0
150.01863	1.5
150.05511	16.4
152.07077	3.6
153.05431	1.8
162.05475	1.5
163.02605	3.1
165.04234	4.1
168.06548	8.6
174.05524	1.2
174.99243	3.3
175.06273	1.2
176.07033	1.6
177.04283	1.0
178.04994	79.2
179.05692	2.7
180.06573	15.8
182.08144	4.4
191.05742	1.1
192.02910	1.2
192.06485	1.2
196.06053	1.8
206.04547	1.6
206.08141	3.2
208.06053	23.6
208.09650	2.2
210.04097	1.2
222.07631	1.5
224.05626	2.9
234.03975	4.3
234.07611	5.7
236.05511	3.8
236.09079	5.6
250.07121	2.1
252.05048	100.0
253.05299	1.5
258.20612	1.0
262.07059	11.1
264.08749	3.0
278.06598	9.4
280.08224	4.6
290.06589	4.0
291.37112	0.9
308.07623	12.5
326.08716	94.4
327.09052	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03939	5.6
54.73822	2.0
55.01869	3.5
55.05513	23.1
57.03431	3.4
57.07062	7.6
65.03931	3.0
67.05186	3.4
67.05509	47.8
67.05859	1.6
69.03427	4.3
69.07072	38.8
71.04976	6.0
71.08638	4.0
73.10661	2.1
79.05140	2.4
79.05502	27.2
81.03397	7.1
81.07063	100.0
82.06587	2.9
83.04961	4.6
83.08627	18.0
84.04487	4.2
85.02913	3.6
85.06541	18.6
91.05466	20.6
93.06483	3.6
93.07047	47.7
95.04967	8.1
95.08614	86.6
97.02888	3.4
97.06522	7.2
97.10194	10.5
98.69823	2.2
99.08057	6.6
100.11250	9.1
103.05385	2.0
105.07031	26.3
107.04975	4.0
107.07968	3.2
107.08609	35.9
109.02828	3.1
109.06487	4.3
109.09468	4.1
109.10160	48.4
111.04388	2.9
111.08066	6.9
111.11684	4.8
114.10312	2.9
117.06988	2.7
119.07968	2.2
119.08598	23.6
121.02831	2.7
121.06492	2.9
121.10147	27.5
123.04388	3.7
123.08064	5.1
123.11722	20.3
125.09619	5.0
129.06999	3.2
130.04955	3.1
131.08592	10.6
133.02855	3.1
133.10143	19.5
135.08067	2.8
135.11685	29.0
137.05960	3.5
137.09601	7.5
137.13190	6.9
139.03905	30.8
139.11142	6.1
142.05029	2.4
145.10104	7.7
147.11708	14.3
149.09631	2.5
149.13292	19.2
151.14790	3.2
153.06966	3.3
153.12692	3.5
155.10677	2.2
159.11671	8.5
161.13258	14.1
163.03914	14.7
163.11157	3.9
163.14832	9.4
165.06934	3.1
165.12720	3.1
173.13179	4.6
175.07481	7.5
175.14809	9.5
177.16403	4.9
179.14259	6.0
179.18033	2.9
181.04959	5.3
181.06461	4.4
187.14816	3.7
189.16397	5.0
193.12244	3.8
199.07547	6.7
203.05042	2.9
205.06389	3.4
210.14871	2.7
215.17981	6.4
228.12276	4.3
250.06334	3.9
271.24286	10.5
277.25284	3.7
279.06531	3.8
283.06116	4.9
285.60330	2.6
289.25165	16.9
292.07492	2.8
293.08255	3.2
293.15698	3.9
295.05948	4.3
297.07523	3.9
307.09546	3.3
307.26382	11.7
325.07199	5.0
325.10703	39.4
325.18661	11.5
325.27228	7.2
326.27853	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	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.61835	2.2
53.03940	9.5
55.01865	5.0
55.05516	20.6
57.03427	2.6
57.07079	5.2
59.04994	2.7
64.28725	2.4
65.03944	7.9
67.05508	35.1
69.03423	11.6
69.07065	32.7
69.07424	3.8
71.04987	8.1
71.51599	2.8
71.51962	2.6
79.05495	29.4
81.02937	2.3
81.03419	45.6
81.07059	100.0
82.07417	2.4
83.04994	2.9
83.08632	11.6
83.75842	2.3
85.02904	7.5
85.06552	20.2
91.05481	18.2
93.07043	45.5
95.04966	2.5
95.08609	81.1
97.02914	5.2
97.06539	7.8
97.10175	5.8
99.04472	2.6
99.08102	16.5
100.11261	4.5
105.07051	21.5
107.04923	3.5
107.08604	40.8
109.02881	12.4
109.06487	3.0
109.10155	44.6
111.04475	1.9
111.08075	18.7
111.11735	4.1
113.09632	2.8
119.08582	18.9
121.10134	30.4
123.04442	4.1
123.11709	21.3
125.05926	2.6
125.09666	4.7
131.04900	2.6
131.08571	3.3
133.10164	15.8
135.04472	4.8
135.11687	23.6
137.05969	6.0
137.13268	7.2
138.03133	2.3
139.03947	10.3
139.11188	8.0
140.04659	5.1
143.39235	2.6
144.08057	3.8
145.08473	7.5
145.10095	3.6
147.11658	12.0
149.13307	19.6
151.07603	2.7
151.11147	3.9
152.14328	2.9
153.12791	4.1
159.10017	4.1
159.11697	4.8
161.13277	10.8
163.03922	21.8
163.14856	10.0
165.12756	5.3
173.13271	3.0
175.14838	7.1
177.16408	4.1
179.14296	4.7
181.04959	59.6
181.06555	3.9
187.07701	2.4
187.09506	6.6
189.16336	4.5
191.17964	2.3
203.18037	4.7
205.10353	3.8
215.17995	2.9
234.74597	2.7
271.11639	2.9
271.24323	5.2
277.25406	3.8
279.23318	2.8
280.79813	2.5
282.05161	3.6
283.06155	4.0
289.12589	2.8
289.25174	12.8
307.13348	4.8
307.26370	12.3
325.09494	18.7
325.14447	3.5
325.18292	7.8
325.27411	3.5
326.27783	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	325.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
54.40845	2.8
55.01872	5.7
55.05516	20.8
57.03437	3.7
57.07071	18.3
65.03947	3.7
67.05511	41.5
68.99815	3.6
69.03432	9.1
69.07075	37.8
70.06587	3.1
71.01345	3.9
71.04990	6.2
71.08632	16.9
79.05504	32.5
79.76308	3.7
81.03416	9.4
81.07062	81.8
82.26546	3.1
82.69149	2.7
83.04984	5.1
83.08627	12.0
84.08116	4.0
85.06542	6.2
91.05492	26.9
93.07059	50.2
95.04961	9.7
95.08613	72.8
97.02871	4.8
97.06538	7.6
97.10145	8.6
99.08110	4.0
101.65268	2.9
105.07040	33.4
107.04949	3.9
107.08607	33.0
109.02875	2.8
109.06541	7.0
109.10165	53.2
111.04465	7.3
111.08081	5.9
111.11726	4.3
115.07616	3.4
117.07018	6.0
119.08578	20.9
121.02922	3.9
121.10136	21.6
123.04437	3.3
123.08053	4.0
123.11713	25.1
129.06947	4.0
131.08577	8.6
133.10138	26.7
135.04408	4.8
135.08138	3.5
135.11697	13.3
137.05988	5.3
137.09669	4.5
137.13274	8.3
139.03917	100.0
139.11208	4.6
145.10152	13.2
147.04478	4.0
147.11703	11.7
149.13260	11.0
149.40907	3.0
151.11150	6.2
153.01984	3.6
153.05521	5.7
153.06932	6.3
159.11661	4.8
161.13281	5.5
163.03929	39.9
163.11194	9.3
163.14839	7.4
165.12730	4.2
166.12270	3.3
175.03807	3.3
175.07559	28.5
175.14862	6.4
177.16339	5.2
181.04933	6.0
181.06502	4.7
187.07532	5.3
193.12326	4.8
199.07570	12.4
203.17926	3.4
213.05525	4.0
227.07100	4.0
251.06978	3.8
255.06525	3.7
265.08560	4.3
271.24240	3.6
279.06387	3.7
282.05298	8.4
283.06076	12.1
289.25415	4.0
295.06107	10.3
296.06897	3.6
297.07687	4.9
307.09665	4.3
307.26324	3.8
325.07098	8.1
325.10709	83.9
325.14343	5.6
325.21313	5.3
325.27554	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	325.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05522	3.0
66.16851	0.4
67.05508	6.5
69.07068	2.4
69.34944	3.6
71.04962	0.7
73.06555	0.5
79.05505	6.2
81.03433	0.9
81.07061	7.7
83.08624	1.9
85.06538	0.6
88.32764	0.4
91.05469	5.8
93.07050	7.9
95.04977	1.3
95.08614	5.9
97.06526	1.3
97.10177	1.0
99.08077	0.6
100.07636	0.4
105.07043	5.9
107.08591	4.8
109.06502	0.6
109.10136	2.2
111.08096	0.9
117.07025	2.2
118.75133	0.5
119.08596	5.4
121.06494	1.0
121.10158	4.5
123.08080	1.2
123.11697	0.6
128.06152	0.6
129.06996	1.7
131.08563	4.2
133.10153	4.6
135.08044	0.9
135.11717	3.6
136.11151	0.4
137.09659	0.9
141.06976	0.5
142.07756	0.5
143.08583	1.5
143.41310	0.5
145.10130	4.1
147.11687	4.6
149.09599	1.2
149.13268	1.5
151.11156	0.6
155.08511	0.5
157.10127	2.1
159.11714	2.1
161.09625	3.1
161.13319	1.4
163.03934	2.1
163.11168	1.8
169.10286	0.9
171.11696	3.1
173.13199	0.8
175.07585	1.0
175.11179	3.2
177.12784	1.0
178.12317	1.5
181.10138	0.9
185.13258	1.3
187.11298	0.6
189.12738	1.8
192.13881	0.7
193.12227	1.5
195.11765	0.7
195.13766	0.4
198.25000	0.4
199.11256	0.5
207.13939	0.8
209.13075	0.5
211.14848	0.8
213.12816	0.5
213.16423	1.8
227.17981	1.5
237.16420	2.0
245.19170	1.0
247.20842	0.6
251.11285	0.5
255.17447	6.5
262.21756	2.0
263.20114	0.6
265.08502	0.7
269.12445	1.0
271.06216	0.6
272.20132	5.9
273.18481	12.9
273.21271	0.8
281.17224	3.1
283.06049	1.4
290.21179	7.7
291.19501	4.4
293.08057	0.6
293.18753	1.2
307.09534	0.5
308.22223	2.0
325.10245	3.0
325.16235	100.0
325.24762	3.7
326.16699	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.8
56.05013	1.7
59.04146	1.7
65.03940	2.4
66.59229	1.6
66.87495	1.5
69.03429	3.5
70.36571	3.5
70.36927	4.3
72.04036	1.5
73.61184	1.5
79.05495	3.2
81.07042	3.6
82.06537	2.0
84.04510	19.1
84.08144	3.0
85.02916	21.1
86.06057	7.3
90.26479	1.4
90.99541	1.5
91.05489	51.9
93.07050	10.1
95.01315	2.5
95.08589	1.7
98.06081	1.8
98.20823	2.0
102.05544	9.9
105.07078	2.0
107.08601	4.9
108.08127	53.1
110.09679	3.8
114.05553	2.2
115.03902	1.8
119.08606	2.4
122.09650	5.2
124.11235	2.9
130.05016	85.9
134.09662	4.1
135.11693	6.4
135.69568	2.0
139.03873	1.9
147.09209	4.4
150.12796	16.1
151.13490	2.3
152.14357	100.0
153.64825	1.7
154.15910	4.7
178.15981	2.6
191.08223	9.9
196.16977	37.0
235.18048	2.7
264.15970	15.1
281.18622	93.4
283.20041	1.8
307.12857	2.4
308.18515	6.0
325.10602	2.7
325.14413	3.7
325.21228	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01863	1.1
55.05498	1.5
56.05031	1.3
57.03423	2.0
67.05489	0.6
67.42808	0.5
68.05032	1.4
69.03432	4.2
69.07049	1.6
70.06595	2.0
70.95488	1.0
71.05006	1.3
79.05479	2.6
81.03416	2.0
81.07080	3.2
84.04510	11.9
84.08136	2.8
85.02438	1.0
85.02911	14.7
86.06077	5.7
87.04475	1.2
91.05489	20.3
93.05772	0.6
93.07063	7.1
94.06575	1.1
95.01333	1.1
95.08593	1.0
96.08160	1.4
98.06055	0.8
99.04440	1.2
102.05546	8.2
107.08577	2.6
108.08125	38.5
109.10133	0.9
110.09695	4.0
112.03986	0.9
113.02374	0.9
114.05609	0.9
121.10180	0.8
122.09663	3.5
123.10464	1.9
124.11215	0.9
126.05486	0.7
130.05013	67.3
134.09700	1.3
135.11693	4.9
136.49010	0.6
138.09096	1.1
143.50902	0.6
145.07614	2.2
147.07982	0.8
147.09183	15.8
148.11252	1.0
150.12787	12.8
151.13568	2.3
152.14352	91.3
153.14615	0.7
154.15941	5.5
173.07086	1.7
178.05827	0.9
178.15918	2.2
191.08174	27.3
196.16978	24.4
207.18654	0.6
212.01141	0.6
218.15442	0.7
235.18080	3.6
236.16519	1.6
261.19742	0.9
264.15970	12.5
266.17575	0.9
281.15149	7.4
281.18597	100.0
283.20154	1.7
307.12869	4.9
308.18524	2.2
325.14093	16.1
325.21252	59.4
325.24701	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01859	0.9
55.05506	0.8
56.05040	1.5
57.03428	2.4
58.49239	0.8
61.00243	0.8
63.57081	0.8
66.58022	0.8
67.05498	1.1
68.05035	1.9
69.00832	0.8
69.03134	0.8
69.03434	8.7
69.07076	1.8
70.04727	3.3
71.04997	2.1
79.05492	2.8
79.37872	0.8
80.05005	1.5
81.03423	8.7
81.07049	2.8
84.04051	1.2
84.04510	14.4
84.08141	1.5
85.02440	1.3
85.02916	16.2
86.06076	7.4
87.04457	1.6
91.05484	11.4
91.78153	0.7
93.07038	6.7
94.06559	0.8
94.67841	0.8
95.01311	2.3
95.08628	1.1
96.08124	1.0
98.06053	2.4
99.04465	2.7
102.05553	9.4
105.06987	1.0
105.29217	0.9
107.08575	2.2
108.08125	47.9
109.08915	1.2
110.09687	4.1
112.03976	1.5
113.02398	1.1
117.05552	1.4
118.06542	3.2
118.78001	0.8
119.08600	1.3
122.09685	4.0
123.10438	1.6
130.05011	85.2
133.10072	1.0
134.09619	2.6
135.11703	5.4
136.11205	1.5
138.09111	1.0
142.04955	1.1
145.07564	4.8
147.09215	5.0
150.12791	15.3
151.13596	2.7
152.14354	100.0
154.15897	3.7
161.13235	1.2
162.07867	1.1
173.07126	7.8
175.08693	3.3
178.15926	3.6
190.15819	1.1
191.08171	60.2
193.13406	1.2
196.16975	38.0
210.11069	1.0
218.15359	0.9
222.15083	1.0
233.09204	1.1
235.18102	3.6
236.16406	1.3
264.15955	15.7
266.17535	1.4
271.10831	1.1
279.20609	0.9
281.18616	92.2
282.16779	0.9
283.20157	3.0
307.09357	1.1
307.12875	18.2
307.16296	1.7
308.18552	5.6
325.14188	12.9
325.21228	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
53.75348	0.5
55.01880	3.1
57.03436	3.2
59.04993	0.7
61.02905	1.2
62.05732	0.4
65.03906	0.5
69.03433	17.3
71.01323	1.3
71.04996	6.1
71.51210	0.4
73.02882	0.7
79.05511	0.6
81.03423	17.5
84.08148	0.6
85.02919	3.2
87.04434	0.4
91.05484	20.7
97.02879	0.6
99.04454	6.9
105.07065	0.5
115.03918	1.2
116.04946	0.6
117.05518	1.3
118.06548	6.3
124.07594	0.5
144.48376	0.4
145.06572	0.7
145.07625	7.7
145.08757	0.3
147.09172	8.4
162.07875	1.3
163.03911	1.2
163.08698	1.2
173.05971	0.3
173.07112	11.8
175.08696	5.5
191.08163	100.0
201.10208	0.5
203.08220	0.8
205.09753	0.6
210.18524	0.4
215.11850	0.8
231.11336	0.6
233.09264	1.9
247.10843	0.7
271.10712	0.8
289.11758	2.2
307.12903	32.7
325.13983	22.6
325.17468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72761	0.5
53.03930	1.9
55.01870	2.3
57.03436	2.9
61.02926	0.8
69.03433	13.7
69.81023	1.1
69.81432	1.7
70.06569	0.4
71.01340	0.8
71.04996	5.0
73.02938	0.5
74.65997	0.5
81.03423	15.7
81.07034	0.7
84.04501	1.0
84.08132	0.7
85.02903	1.2
91.05478	4.5
99.04458	6.5
108.08096	1.9
117.05489	2.5
118.06530	5.0
119.08518	0.6
130.05025	3.0
145.07613	8.7
147.09183	8.6
150.12801	0.6
152.14345	4.8
154.15886	0.5
162.07866	1.5
163.08696	0.9
172.06346	0.5
173.07118	12.4
175.08675	6.9
187.08757	0.6
187.52007	0.4
191.08167	100.0
192.08566	0.6
196.16989	1.1
203.08086	0.6
233.09285	1.6
264.15881	0.8
271.10861	0.9
281.18588	4.4
289.11801	2.4
307.12900	32.5
325.13974	23.0
325.20682	2.1
325.24567	0.9
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	Unknow
Peak:m/z	Relative Intensity
50.00243	0.5
53.03941	2.0
54.19633	0.4
55.01870	1.5
57.03440	2.4
61.02919	0.7
69.03435	15.5
70.49343	0.8
71.01363	0.9
71.04996	4.4
73.02916	0.7
81.03419	15.7
91.05480	1.3
99.04465	7.3
113.99390	0.5
116.04971	0.6
117.05505	1.8
118.06569	5.9
132.16667	0.5
145.07603	7.7
147.09169	9.0
162.07880	1.6
163.08667	1.4
173.07108	12.5
174.93037	0.5
175.08705	6.6
191.08165	100.0
192.08582	1.1
205.09753	0.6
233.09093	0.8
246.74342	0.5
282.16989	1.7
289.11871	1.8
307.12894	32.6
325.13950	19.6
326.19678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66490	0.3
51.02398	0.3
53.03954	0.6
55.01880	1.9
55.05517	1.4
56.96556	0.8
57.07079	0.6
59.05005	0.2
61.02924	0.4
65.03943	1.6
67.01861	0.4
67.05508	4.0
68.99792	2.4
69.03419	1.1
69.07073	1.3
71.01342	0.3
71.05022	0.3
71.50535	0.3
71.50979	0.4
75.41736	0.3
79.05501	2.8
81.03429	1.8
81.07058	3.6
83.04969	1.7
83.08619	0.5
84.04500	2.1
85.02919	0.5
85.06553	0.4
91.05489	1.2
93.03418	1.6
93.07079	1.7
95.04967	1.2
95.08614	4.2
97.02908	1.1
97.06537	0.6
102.05563	0.3
103.05497	0.4
105.04539	0.3
105.07026	1.8
107.04942	0.5
107.08605	3.9
109.02846	0.5
109.06552	0.3
109.10164	2.4
110.09718	0.3
110.21381	0.3
111.00847	0.5
111.04450	7.7
111.08098	0.5
111.11726	0.3
117.07026	0.5
119.08609	1.4
121.02866	0.8
121.10146	1.0
123.04448	1.2
123.08099	0.6
123.11726	0.5
127.03918	0.3
128.06226	0.8
128.21602	0.3
129.07033	2.0
130.05022	3.5
131.08554	0.6
133.10165	0.7
135.08014	0.3
135.11731	0.8
137.06017	0.4
139.03908	100.0
140.04272	0.8
141.06984	0.8
142.05000	0.4
143.08588	0.7
145.02975	0.3
145.06427	0.3
147.07703	1.3
147.11732	0.6
149.13249	2.8
151.03894	0.4
151.14806	0.7
152.06187	0.8
153.06995	5.7
157.06525	0.8
160.05194	0.5
161.06003	0.5
161.13292	1.0
163.03918	9.6
163.07558	0.6
165.07016	0.3
167.08611	0.6
169.06488	0.4
171.08083	0.7
173.05975	0.4
174.06790	0.4
175.07556	5.8
175.11160	0.4
179.14297	1.0
181.05000	0.5
181.06447	4.7
184.05246	0.4
185.05945	0.6
187.07532	2.6
193.12270	0.5
195.07988	0.5
198.06726	0.4
199.07542	7.4
209.09567	0.4
213.05461	0.6
213.09178	0.9
219.08000	0.3
223.07684	0.7
227.07048	0.5
227.13950	1.2
237.05432	0.7
237.09103	0.6
241.08669	0.8
243.03088	0.4
250.06200	0.7
251.07124	0.7
251.10989	0.6
255.06464	0.9
261.04407	0.5
265.08563	0.4
269.08206	0.4
275.02475	0.3
279.06491	2.9
279.10077	0.9
282.05313	1.0
283.05984	3.3
283.09317	0.3
289.25278	0.6
292.07245	0.4
293.03363	0.5
295.06003	6.4
296.06799	2.1
297.07480	1.6
307.09698	1.2
307.26334	0.4
325.10727	53.3
325.16232	2.2
326.10934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.196
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03947	0.9
63.30251	0.2
70.76971	0.5
70.77286	0.4
72.93793	0.3
77.03955	0.4
79.05496	19.2
91.05489	0.7
93.07044	1.5
95.04967	0.8
103.05474	38.4
105.07033	3.0
107.04962	19.2
118.06551	6.4
121.06545	1.0
121.91768	0.2
131.04933	11.5
132.08096	2.4
133.08856	1.0
134.09686	0.3
146.09679	1.6
149.06062	0.5
156.10251	0.2
160.11253	0.6
161.61711	0.3
176.14355	46.4
177.14699	0.5
189.15091	0.6
218.36304	0.3
233.14050	0.3
280.13428	0.4
324.19583	100.0
325.19931	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1073
Annotation	Moracin K
Peak:m/z	Relative Intensity
50.66490	0.3
51.02398	0.3
53.03954	0.6
55.01880	1.9
55.05517	1.4
56.96556	0.8
57.07079	0.6
59.05005	0.2
61.02924	0.4
65.03943	1.6
67.01861	0.4
67.05508	4.0
68.99792	2.4
69.03419	1.1
69.07073	1.3
71.01342	0.3
71.05022	0.3
71.50535	0.3
71.50979	0.4
75.41736	0.3
79.05501	2.8
81.03429	1.8
81.07058	3.6
83.04969	1.7
83.08619	0.5
84.04500	2.1
85.02919	0.5
85.06553	0.4
91.05489	1.2
93.03418	1.6
93.07079	1.7
95.04967	1.2
95.08614	4.2
97.02908	1.1
97.06537	0.6
102.05563	0.3
103.05497	0.4
105.04539	0.3
105.07026	1.8
107.04942	0.5
107.08605	3.9
109.02846	0.5
109.06552	0.3
109.10164	2.4
110.09718	0.3
110.21381	0.3
111.00847	0.5
111.04450	7.7
111.08098	0.5
111.11726	0.3
117.07026	0.5
119.08609	1.4
121.02866	0.8
121.10146	1.0
123.04448	1.2
123.08099	0.6
123.11726	0.5
127.03918	0.3
128.06226	0.8
128.21602	0.3
129.07033	2.0
130.05022	3.5
131.08554	0.6
133.10165	0.7
135.08014	0.3
135.11731	0.8
137.06017	0.4
139.03908	100.0
140.04272	0.8
141.06984	0.8
142.05000	0.4
143.08588	0.7
145.02975	0.3
145.06427	0.3
147.07703	1.3
147.11732	0.6
149.13249	2.8
151.03894	0.4
151.14806	0.7
152.06187	0.8
153.06995	5.7
157.06525	0.8
160.05194	0.5
161.06003	0.5
161.13292	1.0
163.03918	9.6
163.07558	0.6
165.07016	0.3
167.08611	0.6
169.06488	0.4
171.08083	0.7
173.05975	0.4
174.06790	0.4
175.07556	5.8
175.11160	0.4
179.14297	1.0
181.05000	0.5
181.06447	4.7
184.05246	0.4
185.05945	0.6
187.07532	2.6
193.12270	0.5
195.07988	0.5
198.06726	0.4
199.07542	7.4
209.09567	0.4
213.05461	0.6
213.09178	0.9
219.08000	0.3
223.07684	0.7
227.07048	0.5
227.13950	1.2
237.05432	0.7
237.09103	0.6
241.08669	0.8
243.03088	0.4
250.06200	0.7
251.07124	0.7
251.10989	0.6
255.06464	0.9
261.04407	0.5
265.08563	0.4
269.08206	0.4
275.02475	0.3
279.06491	2.9
279.10077	0.9
282.05313	1.0
283.05984	3.3
283.09317	0.3
289.25278	0.6
292.07245	0.4
293.03363	0.5
295.06003	6.4
296.06799	2.1
297.07480	1.6
307.09698	1.2
307.26334	0.4
325.10727	53.3
325.16232	2.2
326.10934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16070	1.7
51.37593	1.9
53.03936	3.9
55.01870	2.8
55.05515	25.6
57.03441	3.3
57.07072	2.8
63.30678	1.5
65.03955	3.2
67.05509	38.2
68.47498	1.6
69.03410	4.6
69.07075	35.0
69.35881	2.0
70.40689	5.8
71.04993	3.9
79.05494	36.6
81.03440	2.4
81.07062	100.0
83.04972	11.1
83.08633	8.6
85.02914	5.8
85.06528	7.5
91.05486	28.0
93.07050	64.1
94.07341	1.9
95.04990	9.4
95.08614	70.0
97.06528	8.9
97.10162	7.4
99.08104	4.8
105.07039	36.1
107.04937	2.2
107.08602	50.7
109.06498	4.1
109.09469	3.1
109.10168	41.7
111.08090	9.1
111.11755	11.0
113.22539	1.8
113.84053	1.8
117.07021	7.9
119.08591	28.8
121.06516	3.5
121.10149	33.8
123.08086	3.8
123.11702	14.4
125.09616	5.2
129.07031	2.2
131.08560	9.9
133.10144	22.3
135.04453	2.1
135.11705	26.1
137.09637	2.5
137.13248	2.2
139.11212	1.9
143.08539	2.8
145.10109	10.1
147.11684	16.3
149.09662	3.0
149.13243	17.3
151.11157	2.6
157.10139	5.0
159.11691	12.3
161.13280	9.7
163.14804	6.3
173.13297	6.1
175.14818	5.0
177.12820	2.3
177.16354	3.8
185.13281	2.3
187.14777	5.0
189.16432	5.8
193.14137	2.6
199.14807	2.3
201.16402	2.4
207.02864	2.5
207.17487	2.5
213.16435	3.5
219.02744	2.0
261.03918	8.7
269.22607	4.5
287.23682	8.9
305.06647	2.8
305.24731	14.0
323.08969	3.5
323.12668	3.4
323.16803	4.2
323.25742	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	323.2582
Annotation	6beta,7beta-Dihydroxy-12E-abienol
Peak:m/z	Relative Intensity
53.03942	0.9
55.01859	0.4
55.05515	3.3
57.03413	0.4
57.07084	2.8
58.11213	0.3
63.55576	0.3
64.85929	0.3
65.03922	0.4
67.05508	3.1
68.27887	0.3
68.99496	0.3
68.99795	3.0
69.07079	3.0
71.05007	0.4
71.08630	0.8
79.05483	1.2
81.03407	1.3
81.07050	2.9
83.04951	0.4
83.08599	1.3
87.00838	2.5
88.68853	0.3
91.05466	1.0
91.35670	0.3
93.07038	1.4
95.04956	0.9
95.08622	2.3
97.02888	0.4
97.06513	0.9
97.10158	0.7
98.03658	0.3
99.04420	0.4
105.07037	0.6
107.08584	0.8
109.02837	0.3
109.10144	0.7
111.00804	2.8
111.04440	0.6
111.08070	0.4
113.02351	1.3
115.66380	0.3
121.10165	0.5
123.04398	0.4
126.03149	2.8
127.03915	1.3
139.03917	1.3
139.07420	0.3
169.02541	0.4
183.10143	0.8
197.11760	0.8
211.13324	1.3
225.14891	1.4
239.16432	1.1
253.18050	1.2
267.19553	0.7
281.21158	0.6
295.26151	0.5
323.25824	100.0
324.26276	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	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
51.16070	1.7
51.37593	1.9
53.03936	3.9
55.01870	2.8
55.05515	25.6
57.03441	3.3
57.07072	2.8
63.30678	1.5
65.03955	3.2
67.05509	38.2
68.47498	1.6
69.03410	4.6
69.07075	35.0
69.35881	2.0
70.40689	5.8
71.04993	3.9
79.05494	36.6
81.03440	2.4
81.07062	100.0
83.04972	11.1
83.08633	8.6
85.02914	5.8
85.06528	7.5
91.05486	28.0
93.07050	64.1
94.07341	1.9
95.04990	9.4
95.08614	70.0
97.06528	8.9
97.10162	7.4
99.08104	4.8
105.07039	36.1
107.04937	2.2
107.08602	50.7
109.06498	4.1
109.09469	3.1
109.10168	41.7
111.08090	9.1
111.11755	11.0
113.22539	1.8
113.84053	1.8
117.07021	7.9
119.08591	28.8
121.06516	3.5
121.10149	33.8
123.08086	3.8
123.11702	14.4
125.09616	5.2
129.07031	2.2
131.08560	9.9
133.10144	22.3
135.04453	2.1
135.11705	26.1
137.09637	2.5
137.13248	2.2
139.11212	1.9
143.08539	2.8
145.10109	10.1
147.11684	16.3
149.09662	3.0
149.13243	17.3
151.11157	2.6
157.10139	5.0
159.11691	12.3
161.13280	9.7
163.14804	6.3
173.13297	6.1
175.14818	5.0
177.12820	2.3
177.16354	3.8
185.13281	2.3
187.14777	5.0
189.16432	5.8
193.14137	2.6
199.14807	2.3
201.16402	2.4
207.02864	2.5
207.17487	2.5
213.16435	3.5
219.02744	2.0
261.03918	8.7
269.22607	4.5
287.23682	8.9
305.06647	2.8
305.24731	14.0
323.08969	3.5
323.12668	3.4
323.16803	4.2
323.25742	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.2
55.01888	10.9
55.05513	38.6
57.03430	7.8
57.07070	5.0
67.05511	69.2
69.03425	7.0
69.07074	25.1
71.50944	7.0
74.03889	3.8
75.42392	4.4
79.05489	52.0
81.07060	95.8
83.04976	11.7
83.08604	16.7
85.06546	8.6
91.05486	59.9
93.07045	53.7
95.04986	20.3
95.08590	44.1
97.06523	12.4
97.10169	7.1
99.10074	5.2
105.07027	49.4
107.04990	14.9
107.08599	41.6
109.06525	13.8
109.10169	41.9
111.04449	14.3
111.08080	19.5
115.78505	4.2
117.07016	13.4
119.04925	7.3
119.08582	23.0
119.46264	4.6
121.06493	18.3
121.10136	16.6
123.04443	9.0
123.08126	8.9
123.11708	11.6
129.07002	9.0
131.08601	24.2
133.06517	9.8
133.10146	68.5
135.08060	6.7
135.11674	9.3
137.06038	5.4
137.09645	8.1
139.07587	8.1
143.08603	11.6
145.10144	10.1
146.72641	4.6
147.08041	9.9
147.11691	16.0
149.09711	9.9
151.11180	55.8
159.11766	7.0
161.09622	17.9
163.11147	6.2
171.11732	6.9
173.13316	6.3
175.11137	9.9
177.12840	7.6
179.10738	9.3
183.13840	16.8
185.13159	6.8
189.12744	6.8
192.13843	5.6
203.14311	6.8
207.33391	4.6
217.12283	4.7
245.19008	10.3
255.17392	5.5
263.20032	26.2
273.18530	53.6
291.19556	100.0
323.22214	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.8
55.05525	2.4
57.03439	31.4
57.07076	2.2
63.26671	1.0
67.05509	21.9
69.03413	1.4
69.07063	2.1
71.04977	3.3
71.16316	2.3
77.48770	1.1
79.05503	9.7
81.07060	12.2
83.04973	1.6
85.06548	28.4
87.53709	1.1
91.05486	9.3
93.07050	8.3
95.04977	31.3
95.08595	5.0
97.06521	1.6
105.07049	8.0
107.04955	3.1
107.08586	7.9
109.06520	28.9
109.10139	1.2
111.08060	1.3
113.06012	100.0
117.07021	4.1
119.08562	4.0
120.34567	1.3
121.06534	1.8
121.10117	2.1
131.08571	8.0
133.10117	2.1
135.07132	2.0
135.08073	24.5
135.11679	2.3
143.08571	2.7
145.10114	3.4
147.08038	1.8
149.09630	3.4
157.10118	2.4
159.11684	2.4
161.09619	3.9
163.11057	2.1
171.11613	1.6
173.13217	1.1
175.11281	1.1
177.12852	1.7
188.52660	1.3
198.02786	1.1
199.14696	1.4
201.12679	1.9
201.55498	1.2
217.15900	7.7
227.17967	1.2
233.15170	1.0
240.50841	1.1
255.17409	2.0
264.71164	1.1
273.18533	11.9
291.19583	31.3
292.19986	1.2
301.36655	1.1
305.21201	1.9
344.69290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23003	3.5
53.03956	6.4
55.01878	15.2
55.05512	36.6
55.37290	3.2
57.03453	6.4
57.07065	6.3
63.60345	2.8
65.03964	4.2
67.05509	81.6
69.03426	6.0
69.07077	26.3
69.57847	21.3
71.05011	6.7
73.06551	3.7
79.05497	65.3
81.03401	7.8
81.07062	94.4
83.01296	3.8
83.04990	25.9
83.08611	15.8
85.02882	3.1
85.06560	7.5
91.05483	61.1
93.07041	70.4
95.04979	12.3
95.08622	38.4
97.06541	7.5
97.10161	3.8
105.07042	63.6
107.04942	16.1
107.08596	52.5
109.06509	15.4
109.10163	60.3
109.10851	5.6
111.04453	4.4
111.08086	14.6
117.06983	15.3
119.04929	3.9
119.08580	21.5
119.54408	3.2
121.06495	12.9
121.10151	21.8
123.08098	8.3
123.11703	17.1
125.06031	5.8
129.07002	10.1
130.07805	3.7
131.08559	23.9
132.03564	3.1
133.06523	19.3
133.09119	5.4
133.10138	100.0
135.08086	11.2
135.11694	10.5
137.09554	4.0
139.07547	6.4
143.08626	7.8
145.10139	10.8
147.08038	10.1
147.11676	10.6
149.09642	17.5
151.11189	80.6
153.12907	3.6
157.10146	6.8
159.11707	7.3
161.09618	15.2
161.13240	6.5
163.11172	4.3
165.09163	3.9
171.11723	9.5
172.91391	3.8
173.13271	3.9
175.11177	7.9
177.09138	12.4
177.12773	4.9
179.10632	8.4
183.11720	2.7
183.12251	3.1
183.13841	27.7
189.12717	5.8
191.10728	4.1
193.12242	3.7
196.29228	3.3
203.14275	6.8
207.13887	3.6
217.12283	7.9
234.39015	3.4
239.52995	3.5
245.18959	22.4
255.17479	5.0
256.36203	3.3
263.20142	15.3
273.18460	43.3
279.96484	3.2
289.69394	4.0
291.19534	71.2
291.22498	5.3
305.21094	13.4
323.22202	45.1
323.25696	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01865	5.8
55.05271	2.0
55.05516	30.4
55.47599	1.7
60.44065	1.4
62.06084	3.5
67.05505	16.0
69.03428	6.2
69.07075	12.6
71.04969	1.8
71.51038	2.0
79.05500	16.2
81.03424	2.5
81.07069	17.5
83.04980	3.2
83.08625	14.3
91.05482	11.2
93.07047	16.1
95.04955	5.2
95.08620	8.1
97.06532	3.0
97.10175	25.3
105.07024	10.0
107.04955	4.0
107.08082	1.2
107.08606	13.1
109.02877	1.6
109.10141	5.5
111.08075	2.5
114.12263	2.0
117.07018	4.2
119.08581	6.7
121.06556	2.6
121.10131	3.8
123.08076	4.9
125.09647	22.0
129.07013	3.3
131.08556	5.2
133.06441	3.0
133.10158	3.8
135.08067	7.4
136.96812	1.6
137.09630	3.3
143.08583	2.2
145.10132	4.6
147.08043	3.5
147.11729	4.2
153.09111	4.1
157.10210	2.0
161.09555	2.4
163.11227	2.2
165.09135	1.8
171.11729	1.5
175.11237	2.0
179.47684	1.8
189.11293	1.6
203.12827	11.0
223.13274	9.5
231.74709	1.6
232.46234	1.7
255.17337	2.5
273.18527	9.6
291.19556	100.0
305.21106	27.5
317.58615	1.5
323.22205	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	322.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.9
57.03196	1.1
57.03440	13.0
69.27751	4.4
69.28181	4.3
73.53732	0.9
79.05519	1.3
80.05015	1.8
81.07050	3.0
82.06609	1.0
85.02910	25.2
87.04495	1.1
91.05475	3.2
93.01722	1.0
93.05768	1.1
93.07034	2.6
94.06575	11.1
95.08553	1.2
105.07016	2.7
106.06561	2.4
107.08575	1.1
117.05769	1.4
117.07009	2.0
118.06565	3.4
119.07339	1.6
119.08588	3.4
120.08115	8.2
121.08913	1.0
122.09655	4.1
131.07306	3.1
132.08093	10.6
134.09660	13.1
135.10388	2.2
136.11229	6.3
137.41870	1.0
138.09164	2.7
140.21793	1.0
144.08083	1.8
145.08890	2.3
146.09659	6.6
147.06767	1.3
148.07610	6.1
150.09138	6.3
158.09625	7.6
159.10379	2.4
160.07573	3.0
160.11229	8.7
161.08388	1.3
162.09157	3.5
164.07071	1.2
166.08522	1.2
173.11989	1.2
174.12759	10.0
176.07025	1.1
176.10727	2.7
178.08623	4.3
180.06635	1.2
184.11284	1.7
186.09146	5.1
188.10747	4.5
191.13135	4.9
192.06541	3.3
192.10190	1.3
192.13823	13.4
193.07401	1.4
194.08110	2.1
200.10826	1.6
202.12241	6.7
204.10234	12.6
205.07433	1.2
206.08147	12.8
206.11804	3.0
211.47415	1.0
212.14203	1.8
215.07680	1.1
216.10283	1.9
216.13901	2.5
218.08243	1.3
218.11775	1.2
220.13312	8.6
222.11176	1.4
222.20290	1.0
224.09167	6.1
230.11800	2.2
230.15419	8.2
232.09711	4.9
234.11261	13.6
240.13849	1.1
244.09755	1.7
248.12936	5.8
250.10751	17.0
252.12331	6.8
258.14893	18.7
262.10767	21.3
264.12396	1.2
266.13892	12.3
276.15976	28.2
280.11871	8.9
286.14362	4.0
304.15448	29.3
322.16522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1651
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
57.03426	2.8
62.35083	0.7
69.40481	1.1
69.40882	5.0
70.06578	0.7
71.01347	1.5
79.05476	1.9
81.07055	1.6
84.04514	2.9
84.08186	0.9
84.23295	0.7
85.02908	36.1
89.08691	0.6
91.05475	2.9
93.07032	1.3
96.08104	1.0
97.06547	0.7
98.20705	0.6
102.05533	1.5
105.07027	1.7
108.04501	0.8
113.02330	1.0
117.05728	0.7
117.07055	0.8
118.06535	1.1
119.08582	2.8
120.08114	6.1
121.08890	4.8
123.58376	0.6
129.06999	1.8
130.04991	0.8
130.06534	4.2
131.03432	1.5
134.09644	5.9
135.10426	1.6
136.07520	0.7
142.06560	1.2
142.07683	0.8
144.08101	1.8
145.08881	14.3
146.09679	3.7
148.07623	0.9
157.10106	0.9
158.09648	1.3
159.10419	2.1
160.07591	2.4
161.69876	0.6
162.09152	2.3
167.07010	1.3
172.11151	0.8
174.09113	1.1
174.12785	18.9
175.11211	0.9
176.10730	0.9
188.60405	0.6
189.99611	1.0
190.08641	0.9
192.13843	39.1
193.14227	0.7
229.07103	0.9
230.15384	1.3
255.92340	0.7
294.16992	0.6
304.15427	2.6
307.31671	0.6
322.16495	100.0
323.16898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77638	2.6
55.01863	9.6
55.05500	5.9
55.16133	2.9
57.03434	8.0
59.42386	2.8
67.05511	7.4
69.03423	9.8
69.07053	8.0
70.56349	6.9
79.05504	28.0
80.05718	2.3
81.07058	36.4
83.04956	3.0
85.02911	9.3
86.23719	2.4
91.05479	13.5
93.03400	2.9
93.07047	11.9
95.01318	18.9
95.04972	8.4
97.02911	3.6
97.06544	23.8
107.04936	6.8
107.08575	5.6
109.06512	17.9
109.10188	3.7
111.98092	2.8
113.02319	2.9
117.07070	4.4
119.04971	6.8
119.08578	11.0
121.06518	8.4
123.04439	4.6
123.08138	3.4
125.06015	5.1
131.08592	3.9
133.68063	2.5
135.08058	5.7
137.05984	7.1
139.03885	10.4
141.01839	4.9
141.05467	4.6
147.08040	9.6
149.06013	5.1
155.07080	3.2
159.02893	2.9
162.91232	3.2
163.07564	12.0
165.09113	24.8
166.13481	2.6
167.07071	3.9
175.07489	4.4
181.08591	12.6
181.45128	2.9
183.10164	7.8
191.07063	4.9
193.08643	20.7
197.04503	6.2
199.09682	6.8
209.08131	11.2
211.09674	20.4
219.06291	2.4
225.07686	4.2
227.09195	7.6
237.07562	8.6
255.08641	100.0
260.04791	2.7
273.09802	11.0
283.02762	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35741	3.4
51.66478	3.2
53.03944	5.8
55.01858	9.5
55.05504	9.8
57.03441	5.4
67.05491	13.4
69.03410	10.4
69.07077	9.4
69.67929	11.3
69.68348	10.3
70.06587	4.5
71.04979	10.3
71.53504	3.1
77.04921	3.3
79.05496	44.7
80.05013	6.1
80.74233	3.2
81.07062	52.3
82.06581	4.9
83.04977	6.4
83.47753	3.4
85.02895	13.1
91.05481	23.6
92.58550	3.4
93.05791	7.6
93.07050	18.0
94.06541	3.7
95.01317	16.7
95.04967	14.7
95.08562	5.6
97.06552	27.3
98.06069	5.3
98.20713	3.7
99.04453	39.7
105.07021	12.7
107.04964	7.7
107.08603	8.4
108.08125	99.0
108.08868	4.9
109.06531	30.6
109.10109	5.1
110.09679	7.9
113.02396	5.8
117.07021	7.8
119.04958	8.0
119.08564	15.4
121.06513	8.2
125.05981	6.7
125.63460	3.4
131.08549	5.6
135.08060	7.5
135.11729	4.2
137.06017	8.2
139.03912	12.6
141.01768	4.3
146.06047	4.1
147.08046	11.2
149.05963	5.4
163.07529	8.7
165.09145	33.3
171.03008	3.4
178.15836	4.5
181.08586	7.6
191.06941	4.6
193.08624	24.6
197.04402	7.1
199.09663	9.5
209.08064	10.3
211.09708	12.9
224.09296	6.0
227.09203	6.5
237.07578	5.6
252.12328	47.8
254.13850	10.9
255.08679	100.0
263.07382	3.5
264.85196	3.8
273.09705	7.9
275.35965	3.6
277.66727	4.1
290.12347	8.4
322.16568	6.1
322.20184	70.5
322.24036	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.01862	7.3
55.05500	8.8
57.03437	6.9
57.80904	2.5
57.91319	2.4
66.61703	2.6
67.05514	15.2
69.03411	11.6
69.07068	11.2
69.22164	27.5
71.04986	2.7
73.51926	2.7
75.91391	2.6
79.05492	31.4
80.05835	2.6
81.03391	4.6
81.07060	47.2
82.07392	5.6
83.04968	5.5
83.08611	3.6
84.08134	2.4
85.02904	13.3
90.68176	2.7
91.05486	23.0
93.06516	3.6
93.07040	22.4
94.07366	4.6
95.01345	12.8
95.04961	8.0
95.08613	20.3
97.02885	4.7
97.06535	23.7
101.02392	2.6
101.06016	3.7
105.07029	10.5
106.06568	4.1
106.07340	3.0
107.04950	6.1
107.08601	16.1
108.08952	5.0
109.06531	21.8
109.10149	6.3
113.02351	5.3
116.10707	5.3
117.07011	7.1
119.04923	12.3
119.08569	32.4
120.08878	2.8
121.02822	3.1
121.06488	11.1
121.10143	3.2
122.10486	4.0
123.04414	4.5
123.08063	3.6
125.05980	4.9
129.06985	4.5
130.08618	3.3
131.08546	5.1
133.10143	5.2
134.10371	3.8
135.08078	5.5
135.11693	3.3
136.12024	3.0
137.05994	6.6
137.09631	16.8
139.03886	8.7
141.01820	3.2
144.06557	3.7
147.04422	37.2
147.08058	13.8
147.11665	5.6
148.12021	4.2
149.06018	8.0
149.13281	5.7
151.07538	3.9
151.11162	5.2
163.07544	10.9
165.09109	22.8
167.07059	5.1
175.07472	3.5
177.05479	4.6
181.04889	3.1
181.08594	9.5
183.10168	8.4
184.10503	2.3
191.07027	4.7
193.08585	20.9
195.25929	2.6
197.04517	10.2
199.09660	5.0
200.46481	2.7
201.11208	35.8
202.43166	2.6
209.08116	9.3
211.09682	28.1
219.06702	3.8
227.09068	5.8
236.09169	6.3
237.07567	9.5
255.08647	100.0
273.09698	18.5
304.15683	3.4
304.19040	4.4
304.23511	6.3
322.16422	9.9
322.20309	6.1
322.24646	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	322.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01883	1.7
57.03428	1.9
61.02919	3.6
62.10904	1.0
69.03439	7.6
70.99581	11.8
71.04998	1.2
71.14354	1.3
71.14646	1.0
73.02907	1.5
74.78306	0.9
75.34457	0.9
81.03414	4.1
84.96135	1.0
85.02441	1.5
85.02910	22.1
97.02895	7.2
98.00650	33.2
99.04474	1.4
109.02892	2.5
109.08912	0.9
116.01695	11.1
120.08064	1.2
124.02188	26.6
127.03895	4.7
142.03232	92.5
145.04971	4.3
160.04291	100.0
183.06013	1.0
192.13919	1.3
322.09412	2.1
322.13043	2.0
322.16357	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	321.2428
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
50.07553	2.3
51.30696	2.2
51.66331	2.6
53.03954	9.2
54.21783	2.1
55.05513	39.1
56.18019	2.1
57.03441	5.5
57.07074	9.5
58.45306	2.1
59.04992	2.4
65.03922	4.2
66.42634	2.8
67.05511	56.9
67.05878	2.8
69.03433	8.9
69.07076	40.1
71.04997	7.6
71.51095	4.2
79.05502	36.5
81.03420	8.5
81.07062	98.1
83.04977	13.6
83.08629	12.9
84.08136	5.1
85.02960	2.9
85.06558	14.4
90.24532	2.5
91.05487	32.6
93.07050	73.7
95.05000	15.7
95.08617	80.6
97.02925	2.4
97.06528	12.7
97.10182	21.8
99.04487	4.9
99.08091	11.9
105.07040	54.6
107.04934	2.3
107.08602	52.1
109.02874	3.9
109.06529	14.6
109.10165	100.0
111.08080	17.5
111.11765	3.9
113.09662	3.5
115.52476	2.6
117.07037	10.9
118.06522	3.2
119.05025	2.6
119.08589	42.7
120.08090	4.5
121.06499	6.4
121.10155	37.9
123.08051	9.5
123.11747	15.2
125.09644	10.6
127.11215	13.6
129.07021	3.4
131.08582	22.7
133.10139	27.7
134.09650	3.7
135.11693	22.7
137.06000	3.9
137.09618	9.8
137.13222	4.8
139.07555	3.6
139.11230	3.2
141.07018	2.9
143.08577	7.7
143.10674	4.6
145.02873	4.0
145.10127	24.2
146.06010	3.2
147.08095	5.8
147.11700	32.0
149.09622	6.9
149.13283	12.1
151.11221	4.5
152.54356	2.7
157.10106	5.1
159.11731	21.4
161.09660	3.6
161.13257	20.8
162.12785	3.7
163.11259	5.9
163.13228	2.9
163.14847	6.4
165.09187	7.0
165.12769	5.3
171.11684	6.3
173.13306	8.7
175.11247	4.7
175.14890	12.5
176.14369	5.2
177.05499	5.9
177.12756	7.6
177.14671	6.4
179.10751	3.8
179.14372	3.9
185.13181	6.8
187.14839	16.6
189.12848	5.2
189.16431	4.2
191.14314	5.0
193.12248	5.8
197.13457	2.9
199.14833	3.0
201.12837	3.9
201.16402	7.0
203.14238	4.1
205.15924	8.0
206.15431	7.1
207.13966	3.3
207.15631	12.6
211.14804	4.3
213.16438	2.9
222.18629	2.9
223.18903	5.6
247.16972	4.1
257.22723	4.8
261.09021	2.9
267.21085	4.7
275.23700	8.6
285.22144	13.8
289.08578	5.1
303.23212	43.9
321.10947	10.8
321.19031	12.8
321.23923	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
53.03948	3.8
55.01888	2.0
55.05515	17.6
57.07082	4.7
59.05003	3.7
67.05508	35.9
69.03441	4.1
69.07075	21.6
69.93669	2.9
69.93955	9.6
70.06583	2.6
71.05031	4.4
79.05506	21.6
81.03432	4.2
81.07059	61.8
83.04976	3.6
83.08627	8.4
85.06532	2.8
87.04514	2.2
91.05483	19.5
93.07052	48.3
95.04983	11.4
95.08613	69.2
97.06529	6.8
97.10178	7.6
98.20754	2.7
99.08115	2.2
105.07049	30.1
107.04939	2.1
107.08591	31.9
109.06509	12.1
109.10166	100.0
111.08071	19.8
111.11740	4.5
117.07023	5.4
119.08581	27.8
121.06523	3.7
121.10143	23.0
123.08070	6.4
123.11721	15.9
125.09624	4.9
128.78131	1.9
129.06889	2.1
131.08563	11.7
133.06488	3.6
133.10139	18.0
135.08083	2.5
135.11728	11.7
137.09612	5.7
137.13263	5.1
139.11206	5.3
143.08583	3.0
145.02853	3.4
145.10115	12.6
147.08057	4.9
147.11693	14.0
149.09627	4.3
149.13258	9.0
151.11163	2.1
157.10083	4.0
159.11711	13.9
161.13254	9.4
163.11217	4.0
163.14861	8.0
165.09140	14.5
165.12683	2.3
167.07086	2.9
171.11761	4.5
173.13277	8.3
175.11009	3.2
175.14835	11.0
177.05460	4.8
177.12770	2.6
179.14310	3.7
183.11740	3.5
185.13309	4.8
187.14850	7.5
189.16426	2.6
191.14371	4.5
192.13731	2.6
193.15880	5.3
197.13232	3.1
199.14951	2.9
201.16394	4.9
202.12296	2.1
203.14262	3.7
205.15948	4.7
225.16495	2.7
227.17918	2.5
229.15924	2.6
247.17081	3.5
257.19125	3.2
257.22586	6.3
259.20624	3.4
267.21085	7.2
273.22241	4.8
275.23669	6.7
285.22198	16.7
291.23148	9.8
303.23175	36.1
321.10721	4.7
321.17938	2.7
321.24188	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36299	0.7
55.05506	1.5
57.03428	0.9
57.07076	1.2
67.05497	2.2
69.07050	2.5
70.06579	1.0
71.51181	1.3
79.05482	2.1
81.03403	1.1
81.07051	4.8
83.08633	1.0
85.06530	0.9
91.05489	1.3
93.07032	2.8
95.04924	0.9
95.08611	4.0
105.07020	3.0
107.04957	1.4
107.08599	2.7
109.06540	1.0
109.10177	2.2
112.08727	0.9
117.07001	1.2
118.06544	0.7
119.08562	3.2
121.06420	0.8
121.10159	2.2
123.08103	4.5
123.08840	0.7
123.11646	1.0
123.73615	0.7
131.08588	1.5
133.10078	1.4
135.11699	1.4
141.09109	1.0
144.08090	1.6
145.08398	1.6
147.08017	1.1
151.07524	9.9
173.13191	0.8
175.11241	1.0
189.12761	2.7
207.13814	6.2
247.13324	2.1
261.09195	1.0
289.08530	1.4
303.23160	1.0
321.10867	3.0
321.16745	100.0
322.16885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05508	2.9
56.30742	1.1
56.57611	1.4
59.54042	1.2
66.44400	1.1
67.05505	2.5
69.03435	1.9
69.07066	2.3
70.06571	1.3
79.05487	3.9
81.03423	2.1
81.07060	8.2
83.04992	1.2
83.08617	2.0
83.73217	1.3
86.09711	100.0
91.05487	4.2
93.07040	5.3
95.04982	3.0
95.08612	4.8
97.06518	1.9
97.10172	1.8
102.94802	1.3
103.05453	4.5
105.07025	3.9
107.04913	1.7
107.08588	3.2
109.10165	2.6
111.08058	1.4
117.07072	1.3
119.08575	2.9
120.08115	98.5
121.06516	1.3
121.08482	1.5
121.10151	4.0
123.11682	1.8
128.10728	52.4
128.11679	2.6
131.04970	2.6
131.08553	2.6
133.10162	2.9
135.08018	1.7
135.11685	2.9
143.08627	1.2
145.10089	1.4
147.11713	2.1
149.05959	2.3
155.08446	1.5
156.10188	10.6
159.11763	1.7
166.08652	54.6
192.13814	2.4
213.62376	1.6
261.09091	3.1
289.08728	1.9
303.23209	1.6
321.11194	4.2
321.24390	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	321.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53829	1.8
58.99860	2.6
66.40911	1.8
68.98286	3.0
69.03420	3.4
69.55068	12.9
70.99860	4.2
73.01423	3.6
81.03411	3.8
82.06560	2.1
82.99850	13.1
84.08151	3.2
85.01425	3.1
85.02914	2.5
97.01386	4.8
97.02889	2.5
98.21523	2.1
100.00109	3.1
101.00892	85.0
103.00629	2.9
103.02455	4.6
104.10771	2.3
109.02843	3.0
111.05569	3.3
113.00874	19.7
115.00652	2.4
115.02441	28.7
117.02208	2.2
117.04004	5.3
118.01129	2.9
119.01930	100.0
120.01945	2.3
121.01602	3.9
123.05548	3.8
126.01692	1.9
126.98753	5.1
127.02419	7.6
129.04001	3.6
131.01906	29.1
133.03474	56.4
135.03151	2.5
135.05016	2.0
137.02985	11.1
138.01639	1.9
139.02399	5.2
141.03996	4.1
141.06587	6.1
142.01012	2.4
143.01909	23.7
144.99826	4.3
145.03477	22.7
147.05092	5.8
149.02980	5.9
151.04514	6.5
155.01898	13.2
156.02673	5.2
157.03491	17.3
159.01416	5.4
159.05043	10.3
159.07654	3.9
161.02979	25.8
163.02661	2.3
163.04550	2.1
168.99866	19.9
169.03523	5.0
171.01425	12.5
171.03156	2.1
171.04953	9.7
172.99428	2.0
173.02971	26.2
173.04358	3.3
175.04544	18.7
177.02547	4.4
183.01431	3.3
184.02219	3.0
185.02982	7.7
187.00880	39.3
187.02573	3.0
189.02449	18.7
189.06058	4.0
191.04024	24.9
196.99295	17.5
197.02965	2.5
199.04491	5.2
201.02483	17.6
201.04097	3.4
203.03993	8.9
205.01930	8.0
205.03760	3.2
211.06717	2.7
213.02441	4.2
215.00398	45.9
217.02008	3.4
217.05565	4.7
219.01674	3.0
219.03537	18.0
219.07137	5.8
221.05054	13.9
229.01942	32.5
231.03467	8.8
231.07144	5.1
233.01408	3.8
233.05063	25.2
235.06638	32.3
239.06189	4.1
245.05103	5.4
247.03012	73.8
249.04489	3.2
249.08253	8.2
253.07680	15.5
261.04529	8.9
261.08243	8.0
265.04089	9.0
267.09317	10.8
275.06052	2.6
279.06021	2.3
279.09229	11.3
289.04126	14.5
298.18600	4.2
303.05643	6.1
303.13422	2.1
321.06601	14.8
321.10504	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	320.1858
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
53.03924	0.4
55.05479	0.6
57.03424	0.6
70.63255	0.6
70.63596	0.9
71.04995	13.0
71.82544	0.5
81.03410	1.5
81.07037	0.5
90.18111	0.4
93.07010	0.5
97.06550	0.4
99.04456	33.1
105.07008	0.5
107.08607	0.5
118.06544	16.5
119.07385	0.6
121.06457	0.6
126.96460	0.4
127.03918	0.9
132.08087	6.4
133.08891	3.3
134.09610	0.9
145.04924	1.3
146.09659	4.9
147.10358	0.4
151.03819	0.4
162.12697	0.5
163.65662	0.4
176.14348	100.0
177.14688	1.9
185.29483	0.4
202.15875	1.0
206.15399	2.2
216.13881	1.0
222.18483	0.9
246.14935	0.5
268.21533	0.5
301.22729	0.5
302.17480	1.1
306.37933	0.4
320.18567	90.8
321.18933	1.6
341.24918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51791	3.2
52.52298	3.4
55.01849	4.2
55.05517	3.8
56.96546	5.3
57.03425	6.3
60.04511	6.2
61.02927	7.8
67.05503	4.6
67.63757	5.4
69.03435	17.4
69.07079	19.5
70.06586	8.7
70.26079	14.6
70.90353	3.6
71.04971	4.5
71.85396	3.2
72.08155	6.9
72.93784	3.5
73.02896	4.3
74.06092	3.5
81.03414	16.4
84.04514	5.6
84.08145	5.9
85.02914	48.5
85.60023	3.1
91.05480	9.1
92.14864	3.7
94.06548	5.7
96.04471	7.3
97.02902	21.6
98.06087	3.9
98.21555	3.9
98.97552	8.3
105.03377	11.0
109.02879	100.0
110.07170	4.4
112.07613	4.3
114.05541	11.5
119.01903	5.8
120.08104	3.6
127.03929	9.3
132.95860	3.9
140.07050	16.8
141.05455	84.7
145.04955	6.0
147.04459	4.7
153.01819	4.5
158.08119	41.8
158.11816	6.6
177.05544	4.8
181.05058	4.5
207.01471	4.3
221.09143	6.9
275.86560	4.0
302.21600	3.7
320.08054	9.6
320.13101	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	320.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05514	4.4
57.07078	1.8
60.18843	0.6
63.76953	0.7
67.05495	3.2
67.66752	0.7
68.05016	1.3
68.05820	0.8
68.23721	0.7
69.03432	7.6
69.07067	2.7
70.06593	0.8
71.05009	0.9
71.51816	1.1
79.05501	8.4
80.05025	8.2
81.03426	1.5
81.07072	4.8
82.07391	1.2
83.01338	1.1
83.04966	0.9
84.08134	0.7
85.06573	4.0
86.06884	1.4
91.05489	7.2
92.05856	0.9
93.05813	3.9
93.07054	12.0
94.06575	1.7
94.07367	1.1
95.04988	1.4
95.08603	2.5
96.04497	6.5
97.02901	46.1
98.06087	0.9
99.04453	2.4
105.07040	7.2
106.06635	0.8
106.07361	1.2
107.08621	7.5
108.08128	100.0
109.06518	1.1
109.08932	5.9
109.10139	1.1
110.09709	4.4
110.10368	0.9
114.05540	1.1
117.07027	1.4
118.06573	0.8
119.08580	6.3
120.08113	1.9
121.10119	1.2
125.02328	2.7
126.05529	1.4
131.07201	0.8
131.08580	2.2
132.08064	0.9
133.10149	3.1
134.09648	1.8
135.11670	4.7
142.05028	0.9
143.03415	9.2
146.09660	1.2
148.11206	2.0
154.05022	1.4
159.11696	1.1
160.11150	1.2
161.13269	2.3
162.12816	0.9
164.07132	0.8
165.07887	4.9
166.08669	5.1
172.06102	1.2
176.14371	3.9
177.14946	2.2
178.08655	0.7
178.15926	2.4
186.07741	0.8
199.84451	0.7
206.11801	4.6
222.07655	5.4
250.10776	61.4
251.11443	2.2
252.12337	21.9
257.01199	0.8
274.17999	0.7
284.26968	0.7
302.17529	1.1
302.21936	2.2
320.18591	64.9
321.18814	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2271
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03939	4.5
54.45570	1.5
55.01863	3.8
55.05511	11.2
57.03434	1.5
65.03941	6.1
67.05509	29.2
69.03448	3.8
69.07075	14.3
71.04989	3.6
71.51298	2.5
77.03947	2.4
79.05500	30.8
81.07062	100.0
83.04989	4.1
83.08623	6.6
85.02899	4.2
85.06548	4.2
91.05489	30.8
93.07049	56.0
93.07637	2.8
95.04988	11.4
95.08613	60.8
97.06536	10.3
97.10176	2.3
103.80074	1.5
105.07037	36.7
107.04953	3.2
107.08598	99.1
109.06532	12.6
109.10168	31.1
111.08087	9.8
111.11739	2.2
115.05462	2.5
117.07011	9.2
119.07796	2.9
119.08591	29.8
121.06514	3.8
121.10148	26.9
123.04427	1.9
123.08070	4.9
123.11732	3.6
125.06026	1.9
125.09624	5.6
127.07589	2.8
129.07021	4.0
131.08585	15.6
133.06502	2.1
133.10133	24.6
135.08054	4.5
135.11708	12.5
137.09645	3.6
138.09216	2.5
142.07759	2.7
143.08583	8.9
145.10104	16.3
147.08093	7.8
147.11685	33.3
149.06009	5.0
149.09604	5.7
149.13292	19.9
151.03886	4.8
157.10130	8.2
159.11684	12.8
161.09653	4.7
161.13257	7.6
163.11140	2.2
163.14827	3.7
165.09175	4.2
169.10152	3.1
171.11697	3.8
173.13255	9.2
175.11220	4.9
175.14870	5.6
177.05450	8.4
177.12701	2.2
178.28362	1.8
183.11729	3.6
185.13278	8.5
187.14825	4.9
189.12726	3.1
191.10905	1.8
191.14351	3.8
193.12297	3.4
195.11693	1.7
199.14842	4.9
201.12625	1.8
203.14323	6.1
210.83366	1.7
213.05423	1.9
213.16342	3.2
217.16226	1.9
221.15298	1.9
223.14928	2.6
226.58653	1.7
229.13371	4.5
239.18053	2.3
241.08694	1.8
241.19563	2.1
255.11261	2.4
255.21074	6.3
257.12814	4.0
259.16962	2.5
265.19513	5.6
273.12180	2.4
273.22153	6.8
283.20587	11.0
289.21548	1.9
301.11914	4.7
301.21597	25.8
319.12863	12.1
319.19308	2.1
319.22708	27.6
320.14868	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	319.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.02153	0.3
59.35771	0.3
67.05493	0.9
69.03419	0.5
69.07068	0.9
69.29021	2.7
79.05473	0.7
81.07056	1.2
83.04991	0.4
83.08665	0.4
85.06535	0.4
91.05477	1.2
93.07055	1.1
95.04964	0.4
95.08617	0.8
98.20744	0.6
103.05458	0.7
105.07054	0.8
107.08584	1.2
109.06505	0.4
109.10156	1.2
114.09196	0.5
115.05458	1.0
117.07029	5.5
118.06541	2.5
119.08627	0.5
121.06548	0.5
121.10143	0.9
129.06892	0.3
131.08597	0.5
132.08099	0.8
133.08879	0.7
133.10133	0.6
135.08067	0.4
135.11691	0.4
136.44617	0.3
137.05939	0.4
141.25563	0.3
143.07330	3.1
144.08092	100.0
145.06512	0.6
145.08446	1.0
145.10143	0.4
146.09641	0.7
147.08109	0.3
147.11624	0.3
155.06061	1.1
161.09584	0.5
163.11252	0.5
176.14357	47.1
177.14711	0.5
301.17944	0.4
319.15591	0.6
319.21725	23.6
320.22037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04985	5.9
57.05774	2.1
57.06041	0.8
60.05600	2.3
69.04504	1.7
70.06540	2.6
70.41122	0.6
70.79275	1.1
71.84109	0.7
75.76676	0.7
83.06095	3.8
87.05573	0.8
88.78669	0.8
95.06034	2.2
98.48891	0.7
105.03358	0.8
105.05757	1.7
106.06525	1.2
110.07162	0.7
110.16761	0.7
111.05571	8.1
112.04987	0.7
112.08669	1.2
113.07156	4.3
118.06512	1.6
120.04501	3.6
123.05555	1.5
126.06628	4.3
127.07359	2.4
128.08176	0.8
130.06491	0.8
132.03484	0.8
132.04459	14.9
132.08040	1.8
134.06030	5.3
137.04616	0.7
137.05957	0.7
140.08136	2.4
145.00426	0.7
148.03900	2.1
150.04346	0.8
150.05522	10.7
151.06165	8.4
162.05426	0.9
165.06660	0.9
166.04962	1.1
174.05460	0.8
176.06993	2.0
180.22099	0.7
187.08649	4.8
189.06583	1.4
189.10268	0.9
202.09749	4.6
203.08142	3.8
216.11331	1.3
230.09250	3.9
231.07671	32.7
232.10744	1.2
233.09203	2.0
233.13976	9.3
234.12329	1.2
242.09224	2.6
242.11632	0.7
246.08788	2.1
248.03888	0.8
257.10342	5.3
259.11911	26.5
260.10287	1.9
277.12976	100.0
278.13336	1.2
283.10941	1.2
284.11447	7.9
301.11444	1.3
301.14380	2.0
302.12491	51.6
303.12985	0.7
319.15182	89.5
320.15506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
57.03437	0.7
65.90462	0.4
67.05502	1.0
69.03426	1.0
70.06597	1.1
71.04996	0.8
71.51154	0.6
72.08148	0.7
81.03402	0.8
81.07045	0.8
83.04971	0.4
84.04514	0.7
84.08142	1.2
85.02922	1.7
85.06510	0.5
86.09725	0.5
87.15923	0.4
88.11307	0.6
91.05489	0.9
95.04987	0.7
95.08633	0.5
97.02929	0.6
97.06559	0.6
98.05029	0.4
107.08514	0.5
111.04443	0.5
111.05563	0.6
111.08135	0.4
113.05997	0.8
119.08550	0.5
121.10144	0.6
122.06010	0.4
123.32600	0.4
126.06683	0.4
130.05051	0.7
130.06546	0.7
132.04459	1.3
134.05980	0.4
139.03912	0.4
144.08121	0.4
147.04398	0.5
151.06200	0.5
156.22702	0.4
157.07573	1.0
157.08640	4.9
158.08376	0.5
160.07550	0.4
167.07268	0.6
171.09207	1.8
174.09183	1.0
183.09158	0.6
184.09975	2.3
185.08322	1.2
187.08630	0.7
194.08453	0.6
196.09981	0.6
197.07233	0.5
198.07802	1.1
199.08521	2.3
199.12350	2.0
200.10751	1.3
200.12782	0.6
203.08096	0.7
209.10837	1.3
210.11493	0.9
211.08681	2.1
211.12399	0.5
212.09431	4.6
213.10211	4.2
225.10199	4.2
226.11009	10.8
227.08334	0.6
227.11798	12.8
228.10187	5.0
229.09668	0.4
231.07654	1.6
234.05910	0.4
240.08888	0.4
245.12898	0.5
246.04373	0.6
254.10535	2.1
255.11302	7.9
257.12897	0.9
259.11743	1.5
270.09995	19.1
271.10773	3.3
272.11572	15.5
272.14508	0.8
273.12350	7.9
277.13007	5.3
283.10809	8.1
301.11844	100.0
302.12396	5.0
319.04916	0.9
319.12680	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99867	2.9
61.45689	0.9
69.03429	1.7
70.22478	2.8
70.99863	6.6
77.00907	1.1
81.03403	1.7
82.99870	4.2
85.01434	0.9
85.02926	1.2
89.00908	2.7
91.02467	1.2
91.05504	1.4
98.20777	1.1
101.00887	29.6
103.00605	1.0
109.02882	1.1
113.00896	3.1
115.02448	11.5
117.04010	1.0
119.01929	36.2
127.02451	1.4
129.03976	1.1
131.01910	8.0
133.03477	35.2
137.03011	4.3
143.01895	3.2
145.03481	3.3
147.03258	1.7
149.02991	3.2
151.04541	6.1
155.01929	1.0
156.99863	9.5
157.03468	3.3
159.01393	1.6
159.05045	3.0
161.02975	7.4
163.04587	1.4
169.03519	3.3
171.01401	12.8
171.05064	1.2
173.02962	5.3
175.00896	51.5
175.04501	2.6
177.01146	1.4
177.02518	2.3
177.05716	1.1
184.02148	1.1
185.03011	2.1
187.03035	0.9
187.04509	4.8
189.02469	22.4
191.04102	1.2
193.01999	5.6
199.00858	12.1
199.04608	2.6
201.02495	1.5
203.04051	3.9
205.01981	1.2
207.03494	1.4
211.04579	1.9
213.02448	1.6
215.04025	1.4
217.01953	100.0
218.01987	1.6
221.05058	2.0
226.05594	0.9
227.00441	1.6
227.04066	3.5
231.03535	12.1
235.03015	38.9
235.06592	1.8
236.03030	1.1
240.03604	1.8
245.01419	4.9
249.04713	4.9
259.03061	21.2
259.05948	1.2
275.09811	1.9
277.04123	36.6
278.08026	1.7
295.05084	2.9
296.09036	1.8
300.05829	1.1
301.04083	2.1
319.05118	7.1
319.08722	4.2
320.87961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01866	0.6
55.05497	0.4
65.03924	0.6
65.58308	0.2
67.01878	0.5
67.05496	0.8
68.27769	0.3
68.99790	4.4
69.03429	0.5
69.07067	0.5
70.97694	0.5
70.98032	0.5
79.05483	1.1
81.03411	1.0
81.07066	1.6
83.08591	0.3
88.07730	0.3
91.05471	1.0
92.00269	0.2
93.03411	0.4
93.07023	0.8
95.08591	0.8
96.04443	0.4
97.02896	1.2
97.06505	0.5
103.05431	0.3
105.03445	0.3
105.07033	1.9
107.04943	0.4
107.08577	1.1
108.08123	0.3
109.02870	2.9
109.06548	0.3
109.10159	0.6
111.00794	4.1
111.04430	0.8
115.05455	0.3
117.07021	0.4
119.08585	0.8
120.77770	0.2
121.02879	0.5
121.06490	1.0
121.10132	0.5
123.04433	0.8
125.02340	0.6
126.03122	0.7
127.03913	0.7
131.08537	0.3
133.02795	0.5
133.06540	0.5
133.10081	0.5
135.04327	0.3
137.02344	4.4
137.05946	0.3
139.03882	0.9
142.04973	1.0
143.08562	0.3
145.10092	0.6
147.04393	0.7
147.11658	0.4
153.01837	24.0
153.05438	1.1
155.04962	0.3
159.11731	0.3
161.02361	0.3
161.05977	1.1
161.13161	0.2
163.03903	0.3
165.01840	6.3
165.09018	0.3
166.02596	0.8
167.03387	0.3
171.04419	1.1
175.03946	0.5
177.05467	1.0
178.15909	1.4
179.03395	3.1
183.02922	2.4
188.10765	0.3
189.01831	0.3
189.05475	2.4
191.03395	0.3
193.01312	1.0
193.04962	0.4
194.13588	0.3
195.02869	1.2
199.03908	1.0
203.03383	1.7
204.04156	0.3
207.02890	0.8
213.39386	0.3
216.04364	0.4
217.04958	8.5
219.02911	0.5
221.04463	0.8
227.03397	1.2
229.05019	0.6
231.02864	0.6
232.03575	0.4
235.02243	0.4
235.06042	0.6
239.01894	0.6
244.03682	0.6
245.04488	9.5
255.02992	1.2
255.11330	0.3
259.10904	0.8
263.05527	1.6
272.03046	0.4
273.03961	7.6
277.12735	0.3
283.10779	0.7
290.04291	2.0
291.05103	0.3
301.03458	1.4
301.11780	1.2
301.21667	0.6
319.04492	100.0
319.22934	0.7
320.04813	1.3
343.65601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1701
Annotation	Pitrazepin
Peak:m/z	Relative Intensity
53.03943	0.9
55.01872	0.5
57.90849	0.4
64.37046	0.3
69.03431	10.8
70.63465	0.6
79.01859	0.5
81.03448	0.5
83.01340	3.4
90.78412	0.3
92.70035	0.4
97.02896	47.6
99.04495	0.4
101.02382	1.0
105.07044	0.6
115.03902	0.5
118.06548	19.5
119.07320	0.5
125.02357	2.9
130.97917	0.3
132.08095	7.6
133.08897	3.6
133.96581	0.3
134.09662	1.4
134.33667	0.4
143.03407	4.3
144.08087	0.6
146.09642	6.0
147.10461	0.6
148.11330	0.4
152.59114	0.4
158.09578	0.4
160.11208	0.8
161.11926	0.7
161.39583	0.3
169.70837	0.3
176.14351	97.9
177.14702	1.4
202.15904	3.3
204.10262	0.5
216.13844	0.5
233.14088	0.8
274.20612	0.5
279.30386	0.4
300.15982	0.6
318.16998	100.0
318.84467	0.3
319.17471	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	1.3
57.03451	1.3
61.02915	2.5
64.63357	1.0
67.05495	2.5
68.05025	2.9
69.03433	5.2
69.07065	1.6
70.06594	100.0
70.95212	1.5
73.06557	1.5
81.03410	2.5
82.06574	3.0
84.04507	2.9
84.08141	2.7
84.52680	1.0
85.02910	23.9
85.04038	2.0
86.09712	2.3
91.03961	1.7
91.05479	2.9
93.07043	2.0
96.04488	2.0
97.02888	5.3
97.03999	1.3
99.04492	1.7
102.05553	1.5
103.05487	1.1
109.02921	1.8
114.05524	8.0
118.65272	1.1
120.08131	1.2
121.06509	16.8
125.03500	1.2
127.03921	5.5
128.03432	1.2
128.07066	2.6
129.07047	1.1
130.04999	1.6
130.06529	13.3
132.04465	4.9
134.06056	2.1
137.03487	1.1
138.05518	3.5
138.09140	8.1
145.04964	7.7
145.05983	1.0
146.06021	3.2
153.01981	1.1
154.04990	9.0
155.04539	1.9
156.06567	13.1
156.10216	18.4
157.06525	1.0
157.07607	6.3
158.06010	9.0
159.09192	2.3
167.04535	2.6
174.07619	1.5
175.07372	1.2
175.08681	12.8
177.05551	1.2
185.02690	4.7
185.07109	2.5
187.07507	3.0
202.07076	3.4
203.08188	7.6
205.08540	1.9
211.04269	2.5
221.09225	22.0
228.08691	3.2
230.09337	1.1
237.06627	2.0
240.07680	1.7
241.05174	1.1
246.09770	8.6
247.09940	1.2
258.08774	1.9
259.11990	1.3
277.13062	1.6
282.08923	2.2
300.09830	12.3
300.13687	3.5
318.10834	4.1
318.14905	12.6
318.30081	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94329	0.6
57.03433	0.5
61.02929	1.3
62.93903	0.6
68.05019	1.0
69.03435	2.5
69.07069	0.7
70.06596	100.0
70.43356	1.0
70.43731	1.2
82.06594	2.2
84.04525	1.5
85.02911	7.6
88.03960	0.6
91.05486	1.1
93.07056	0.9
94.06631	0.8
96.04528	0.6
97.02889	2.9
98.06046	0.6
99.04473	0.6
103.77715	0.6
109.02883	1.4
110.06105	0.8
112.07612	0.6
114.05556	2.4
116.07095	1.0
119.05005	0.9
121.06531	6.3
127.03935	1.7
128.03488	1.0
128.07092	1.4
130.06519	8.5
130.07405	0.9
132.04469	3.0
134.06071	0.9
137.06007	0.7
138.05524	2.1
138.09187	2.1
139.03938	0.8
145.04996	3.3
146.06094	1.2
154.04993	3.6
156.06586	6.6
156.10187	6.9
157.07642	4.7
158.06030	8.2
158.11809	0.9
159.09238	2.2
167.04587	0.7
175.08682	12.5
185.02763	0.6
185.07146	1.0
187.07555	1.0
202.07185	1.7
203.08122	4.1
204.06584	1.0
205.08788	0.7
221.09227	19.7
221.11403	1.0
228.08798	1.8
237.06564	0.9
246.09856	2.3
255.06593	0.7
256.14600	0.9
258.08829	1.6
263.74869	0.6
282.08932	0.8
283.11121	0.6
300.09976	4.4
300.13696	2.0
301.11917	0.7
318.11035	1.4
318.14688	10.3
318.29926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87325	0.3
51.14670	0.4
53.03932	0.5
54.28710	0.3
55.01863	0.6
55.05503	0.5
57.03433	1.2
61.02932	1.7
67.05509	0.5
69.03432	4.2
69.07058	1.7
69.50952	2.3
70.06593	0.8
71.04983	0.7
73.02900	0.4
79.05502	0.6
81.03410	1.7
82.06596	0.9
83.08592	0.6
84.08115	0.4
85.02911	7.5
86.09702	0.8
87.04464	0.5
91.03948	0.4
91.05467	1.0
93.07043	1.5
95.07373	0.5
95.08054	0.3
95.08599	2.0
96.04507	2.7
96.08145	2.6
97.02908	3.6
97.05289	2.3
97.06569	1.7
98.20797	0.5
99.04499	0.5
100.07624	1.4
107.04970	0.4
108.08141	0.6
109.02854	1.0
109.06495	0.6
110.06046	6.0
110.09680	3.7
111.08076	1.3
120.08107	1.1
121.06497	1.7
125.08401	1.1
126.09165	8.6
126.97669	0.3
127.03947	1.8
134.81662	0.4
138.09148	21.9
139.07538	1.5
145.04968	0.9
152.10635	0.4
155.07062	0.6
156.10211	100.0
157.10600	0.9
165.05498	0.6
166.05804	0.5
167.08298	0.6
168.07306	0.4
168.10213	1.5
173.12863	1.1
180.10217	0.9
183.08054	0.5
187.38867	0.3
194.75226	0.3
198.11217	1.0
211.07545	0.5
222.11217	0.4
228.04004	0.4
237.05397	0.5
255.06543	1.4
272.09158	0.6
277.13034	0.8
300.13428	0.4
301.11911	1.0
302.12607	0.6
318.15347	2.4
318.21698	1.2
318.30127	0.4
319.15674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.4
61.02922	5.5
62.36771	1.8
62.89182	2.1
65.90640	1.7
69.03437	4.1
70.06589	2.1
70.31517	5.8
70.31920	1.7
71.04991	4.3
81.03410	8.9
82.99853	3.4
84.08151	5.4
85.02915	4.9
97.02942	4.0
99.04469	3.5
100.00117	2.0
101.00889	27.9
109.02902	13.4
113.00880	3.3
115.02443	6.0
119.01945	35.3
127.02454	2.6
131.01897	5.6
133.03471	10.7
137.02925	2.6
138.05507	2.2
139.02438	3.8
143.01900	15.8
144.10188	5.1
145.03496	9.8
156.07716	3.4
157.03481	29.9
159.01399	4.5
159.04912	2.0
161.02957	26.9
167.01939	4.4
169.03482	2.6
170.06645	2.3
171.05080	3.6
172.05280	2.5
175.04573	17.6
181.03467	3.0
183.05029	5.4
185.02945	14.4
186.06145	4.1
187.04576	6.7
188.07631	2.4
189.06032	2.7
199.04562	9.8
201.06133	7.0
203.04063	8.8
204.07356	1.9
206.07109	4.3
212.05405	4.2
212.07761	4.5
217.01944	3.1
217.05571	4.4
220.11676	1.9
227.03952	3.2
228.07112	4.3
230.08842	5.2
235.06627	5.8
240.07309	2.4
245.05119	4.4
253.07698	2.3
258.08298	5.9
259.06650	4.5
276.09283	2.2
277.07709	73.4
295.08768	100.0
296.08734	2.6
318.07275	6.2
318.10675	6.3
319.08548	2.8
321.06549	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	317.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01883	0.3
55.05511	0.5
67.05492	0.4
68.05030	2.9
69.03432	2.3
69.69644	0.8
69.70063	0.5
70.06608	0.2
71.05005	0.3
72.93634	0.2
74.63165	0.2
78.03455	1.2
79.06731	0.2
79.34406	0.2
81.03417	0.6
81.16982	0.2
82.02968	0.2
83.01328	0.3
84.55926	0.2
87.98682	0.2
91.05458	0.2
95.01341	3.2
96.04498	8.1
97.02897	17.0
98.06062	1.1
98.21409	0.3
98.33759	0.2
99.04453	0.3
99.76070	0.2
106.02914	3.3
114.05538	4.7
118.06546	7.9
119.07332	0.2
123.04434	1.2
124.03952	3.8
125.02378	0.8
132.08109	2.5
133.08900	1.6
133.96446	0.2
134.09668	0.6
139.03943	0.4
142.05005	46.9
143.05360	0.2
143.18974	0.2
146.09641	3.0
147.04417	0.4
147.10527	0.3
165.01860	0.7
165.05492	1.7
176.14354	100.0
177.14702	1.5
179.90939	0.2
183.02885	0.4
187.19154	0.2
202.15933	2.7
245.42970	0.2
300.15942	3.1
302.04297	0.3
317.06451	0.6
317.10431	0.5
317.18600	18.3
318.19046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
53.03938	3.5
55.01886	2.8
55.05522	16.4
57.07093	13.6
59.04998	5.8
65.03934	3.7
67.05510	62.2
69.03429	5.6
69.07057	6.8
69.51511	15.5
70.06597	14.4
71.08604	2.7
73.54408	2.2
74.00100	1.9
77.03923	2.6
77.90076	2.0
79.05500	14.5
81.07070	33.6
83.04994	4.0
83.08611	6.0
85.06536	2.3
88.07638	16.6
88.87496	2.0
91.05486	23.6
93.07067	23.6
94.75764	1.9
95.04972	34.0
95.08622	23.9
97.06532	8.6
98.20726	2.6
102.09186	11.8
105.07036	19.9
107.04924	3.0
107.08606	45.5
109.06540	25.5
109.10168	100.0
111.08100	2.5
117.07019	7.7
119.08592	66.1
121.06518	9.2
121.10143	10.4
123.08084	31.3
125.06003	3.2
125.09624	3.1
129.07042	3.2
131.08589	8.6
133.06514	6.4
133.10158	11.1
135.08083	9.3
137.05946	3.5
137.09627	80.1
139.07558	3.2
142.07784	4.0
143.08607	5.5
144.09302	2.5
145.06494	2.8
145.10118	12.6
147.08069	5.8
147.11707	4.6
149.09644	7.1
151.07556	77.3
153.05499	3.6
155.08644	2.9
156.09369	4.1
157.10127	3.8
159.08064	4.3
159.11719	8.2
161.09615	11.9
163.11186	6.7
165.09174	7.8
167.07037	3.0
171.11696	7.9
173.09657	5.3
173.13239	4.6
181.08604	6.0
183.11745	4.4
189.12755	31.6
197.13319	3.3
199.11255	4.3
201.12834	3.1
203.14363	3.9
207.13841	29.5
215.14345	4.0
221.15385	6.4
223.14879	2.8
237.14851	6.6
237.17221	2.5
241.15710	2.8
243.13753	10.7
256.26367	35.9
261.14911	5.6
271.20416	2.4
281.19308	4.3
299.20087	17.2
317.17413	4.1
317.21130	82.8
318.30042	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05519	1.1
67.05524	1.0
68.05027	2.7
69.03439	4.3
69.07077	0.6
71.51762	0.7
73.07157	0.5
78.03465	1.6
79.05490	0.7
81.03408	1.1
81.07049	1.8
85.02905	0.6
91.05502	1.2
93.07049	0.8
95.01315	3.1
95.04997	0.8
95.08616	1.2
96.04496	6.8
97.02898	18.1
97.06560	1.0
98.06064	0.8
105.07036	1.2
106.02926	3.5
107.04952	2.4
107.08562	0.9
109.02880	0.8
110.17242	0.5
114.05522	4.2
118.06548	8.8
119.04957	0.5
119.08618	1.2
121.10217	0.6
123.04432	3.7
124.03956	3.8
125.02396	0.7
127.03953	0.7
132.08104	1.8
135.04398	0.6
137.05974	1.0
139.03922	2.2
142.05003	47.2
145.10135	0.7
146.09666	1.8
147.04388	0.7
151.03831	1.0
151.07657	0.6
153.01852	2.9
153.05475	0.8
160.11281	0.7
161.06020	0.8
163.03969	1.0
165.01839	2.6
165.05504	6.3
176.14357	100.0
177.14738	0.6
179.03490	0.7
183.02911	1.4
202.15903	2.9
207.06552	0.5
217.04990	0.5
285.11179	0.6
299.09247	2.1
300.15982	3.0
317.06476	3.5
317.10568	2.0
317.18564	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	317.1021
Annotation	Hernandial
Peak:m/z	Relative Intensity
55.01867	1.4
55.05505	0.5
57.03420	0.5
62.93665	0.4
67.05506	2.7
68.99786	1.5
69.03431	18.8
69.07066	0.6
70.06606	0.5
71.10365	0.8
73.23756	0.4
77.03955	0.7
79.05496	1.4
81.03434	0.8
81.07053	2.4
83.04999	0.5
91.05473	3.6
93.07037	1.5
95.01360	0.5
95.04971	1.8
95.08599	1.1
97.06521	1.0
105.03382	0.6
105.07059	1.6
107.04970	1.2
107.08612	1.3
109.02879	0.6
109.06523	1.0
109.10161	1.5
111.04443	0.9
114.10313	1.3
115.05454	1.0
119.04945	6.0
119.08554	0.9
121.06536	1.9
121.10168	0.6
122.06841	1.3
123.04432	44.9
123.07979	0.6
125.05981	0.6
131.05040	0.4
131.08511	0.5
133.06482	1.1
133.10124	0.8
135.04379	1.0
137.02380	0.9
137.06000	3.2
139.03871	0.5
141.05472	3.4
143.04947	1.0
145.10135	1.0
145.41431	0.4
147.04417	16.8
147.11678	0.6
149.06004	2.2
151.03934	0.8
151.07536	0.6
153.05490	6.6
155.08452	0.4
159.04379	0.5
161.04796	0.6
161.05988	5.2
162.05304	0.4
163.03914	1.0
165.05479	100.0
166.05843	0.8
169.06482	0.5
177.05437	2.7
177.12727	0.5
179.07045	2.4
189.05486	2.2
193.04964	0.8
195.06514	2.9
205.08755	0.4
207.06593	5.4
267.06378	0.7
273.20490	1.2
299.09195	4.5
299.12778	0.5
299.13867	0.3
299.20068	0.7
317.06570	1.1
317.10187	21.1
317.13913	0.9
317.23434	2.2
334.72427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81253	0.3
53.03957	0.6
55.01873	0.4
55.05513	5.0
56.05042	4.2
57.03438	0.7
57.07077	2.0
58.02977	0.3
58.06602	0.3
60.04529	100.0
65.03939	0.6
67.05505	10.1
68.05050	0.6
69.07072	5.9
70.06607	1.0
71.04865	0.7
71.08618	0.8
72.04523	2.5
73.02921	0.3
74.06091	2.8
79.05499	4.2
80.05038	0.9
81.03438	0.7
81.07059	8.0
82.06597	1.3
83.05000	0.7
83.08630	3.9
86.06080	0.8
87.04478	1.1
88.04510	0.3
90.05559	1.6
91.05480	2.7
93.07045	3.5
94.06599	0.6
95.04980	1.0
95.08606	8.1
95.09166	0.5
96.08127	0.9
97.06557	0.7
97.10184	1.8
98.06106	0.5
99.98129	0.3
100.07638	0.4
102.05572	0.6
105.04528	0.4
105.07039	1.6
107.08617	2.2
109.06515	0.4
109.10165	3.8
111.11728	0.7
112.07629	0.8
119.08579	2.4
119.93018	0.3
121.10170	1.1
123.08091	0.9
123.11736	1.3
130.08691	0.4
133.10173	0.9
135.07999	0.3
135.11726	1.3
135.50378	0.3
137.09625	1.2
137.13271	0.4
140.22438	0.3
147.11716	0.5
151.07587	1.2
151.14822	0.5
174.88895	0.3
193.43243	0.3
212.23790	0.6
219.21211	0.3
233.22780	0.5
245.22771	0.5
250.25395	1.4
262.25311	1.4
263.23755	0.4
268.26373	0.7
280.26367	12.3
298.24704	0.3
298.27426	14.7
316.28482	37.3
317.21188	0.6
317.28882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19844	0.4
55.05510	0.8
56.05029	0.7
57.07083	13.5
60.04272	0.6
60.04533	7.8
62.06084	0.5
67.05493	1.1
69.07066	0.7
70.06597	15.5
71.08640	6.6
71.51387	0.5
79.05492	0.9
81.07044	1.2
83.08618	0.6
85.10195	4.2
86.06062	0.5
88.07640	22.3
93.07040	0.9
95.08591	0.8
95.39780	0.4
102.09190	0.6
105.07024	1.1
106.08678	28.6
109.10191	0.7
115.34937	0.4
119.08543	1.0
121.06479	0.5
132.08885	0.7
143.08540	0.5
145.10121	0.6
146.10420	0.8
160.12039	0.8
189.35329	0.4
202.16628	0.6
239.98863	0.5
242.04800	0.5
256.26364	0.5
272.76395	0.4
280.26434	1.0
298.27399	1.3
298.31180	1.3
316.28912	3.9
316.32111	100.0
317.32361	1.2
318.50974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05517	5.6
56.05039	4.1
57.07071	1.8
58.02971	0.7
60.04529	100.0
63.97927	0.6
67.05514	6.7
69.07078	5.1
69.35042	1.0
69.35448	4.5
71.08621	0.9
72.04523	2.6
74.06088	2.0
75.62570	0.5
77.14377	0.6
79.05500	4.3
80.05015	1.5
81.07065	8.9
82.06588	1.5
83.08630	3.9
87.04478	0.8
90.05589	0.9
91.05488	2.6
93.07064	3.3
94.06545	0.9
95.08614	9.0
96.08124	1.1
97.10202	1.7
98.21555	1.4
105.07037	1.9
107.08602	2.5
109.10175	3.1
119.08607	1.8
121.10172	2.1
123.11736	1.0
132.85823	0.7
133.10118	1.0
135.11722	0.8
137.09650	0.9
155.55646	0.6
168.88069	0.6
187.11366	0.7
213.22313	0.6
242.91765	0.6
250.25304	1.7
256.26498	1.3
262.25385	1.4
268.26498	0.8
280.26392	13.1
298.27405	10.8
316.28485	36.0
317.21124	1.2
317.29077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89869	0.5
53.03942	0.9
62.72126	0.6
67.27588	0.6
70.28259	1.1
70.28620	1.2
80.05024	0.7
81.07058	1.2
82.06590	0.5
91.05487	4.8
93.07047	11.7
95.05000	0.8
98.09747	0.8
103.05460	5.7
108.08130	0.6
110.09745	1.2
121.06517	93.8
122.06828	0.8
122.09665	1.1
123.10530	0.5
124.11296	1.1
130.93657	0.7
135.11612	0.6
136.11272	2.8
150.12825	1.7
152.14359	37.5
153.01813	0.8
154.02116	0.9
154.15955	0.7
158.71179	0.5
196.16974	2.2
200.10780	2.0
218.11763	2.7
218.15414	1.6
242.15431	0.8
272.20114	100.0
273.20490	1.4
316.22742	96.9
317.23071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01870	1.7
55.05512	8.5
57.03437	4.9
57.07072	2.2
59.39879	0.9
61.56142	0.8
65.03919	1.3
67.05508	50.1
69.03413	2.0
69.07073	9.9
69.24649	8.9
70.06596	1.1
71.04978	3.5
72.08157	0.9
79.05502	26.8
81.03407	3.0
81.07061	32.4
82.07467	0.8
83.04974	3.0
83.08614	2.6
84.15237	0.8
85.02899	2.3
85.06540	2.6
91.05486	17.9
93.07045	27.5
95.04973	9.9
95.08612	69.3
97.06561	1.5
98.97598	1.1
99.04420	1.1
103.05444	5.1
105.04487	1.7
105.07040	17.2
107.04973	1.4
107.08601	18.5
109.02879	1.5
109.06519	4.9
109.10161	35.0
111.08101	1.6
117.07021	2.6
119.04910	1.1
119.08587	22.4
120.08876	1.0
121.06509	95.4
121.10143	6.5
123.04433	2.0
123.08096	4.3
123.11725	5.2
126.09167	1.0
131.08629	1.1
133.10120	5.0
135.11687	5.1
136.07588	2.6
137.09607	7.9
138.09140	10.5
139.03882	0.9
147.11743	4.0
149.13232	7.1
151.14819	12.1
153.01906	1.3
154.02205	1.6
159.95206	1.0
161.13248	5.7
165.05525	2.0
165.12770	1.6
169.72969	1.1
174.05005	0.9
179.14305	8.1
181.04961	1.1
183.10397	0.9
183.13882	4.9
196.17072	3.3
200.16670	0.9
218.15425	3.9
246.14926	2.9
284.09991	2.2
299.09103	0.9
316.08987	1.4
316.22742	100.0
317.23041	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1756
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
53.03934	1.7
55.01862	1.4
55.05514	3.3
57.03425	1.0
60.04528	47.5
62.51561	0.7
66.30968	0.6
67.05503	6.0
69.07059	4.2
69.41927	3.3
69.42340	1.7
70.02926	1.9
70.06570	0.8
80.04973	0.9
81.03408	1.7
81.07060	21.8
83.04962	2.2
83.08604	1.8
84.04491	1.2
85.06527	1.0
88.03995	26.5
91.05486	10.7
93.06494	1.0
93.07044	14.7
95.04942	2.0
95.08616	5.0
96.04499	1.5
96.08114	1.0
97.02863	0.8
97.06503	1.5
101.00034	1.0
103.05458	4.9
105.07028	9.8
106.05032	51.6
107.08561	3.1
109.02869	2.3
109.06506	1.5
110.09659	2.1
119.07969	0.7
119.08595	8.1
121.06507	89.7
121.10126	6.5
122.06783	0.7
122.09657	0.8
123.04389	1.6
123.11694	7.8
124.11205	1.2
125.02409	0.9
127.03912	0.7
128.04222	0.9
133.10118	1.6
135.49644	0.6
136.11180	2.6
137.05959	0.9
138.09061	0.8
147.11703	17.6
150.12784	1.1
152.14348	37.2
153.01836	10.6
153.31229	0.7
154.02180	7.8
154.03320	1.2
163.03922	1.6
165.05519	0.8
165.12750	8.1
175.11171	1.0
193.12231	1.0
196.16966	2.3
200.10750	2.1
206.15433	2.2
216.13844	1.0
218.11803	4.0
218.15369	1.4
224.16446	1.3
228.04063	0.9
229.14369	1.7
230.15331	1.4
234.14890	8.5
242.15433	2.0
245.04677	0.7
252.15939	18.0
257.04553	0.9
270.16934	4.3
272.20093	99.0
273.20215	0.9
274.04688	1.2
280.15491	5.3
285.04028	0.9
298.16507	18.7
299.09332	0.9
302.04236	4.0
316.17569	3.9
316.22720	100.0
317.06589	17.7
317.23035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.15968	0.3
51.39814	0.3
53.03944	0.5
54.05087	0.4
55.01871	0.4
61.02920	0.9
66.19725	0.3
69.03089	0.6
69.03435	9.7
70.06587	0.7
70.79221	0.8
71.18626	0.3
79.01850	3.7
81.03427	2.5
85.02917	1.7
86.09656	0.3
91.05466	0.4
97.02900	2.1
107.01318	1.4
107.04963	0.5
109.02907	2.3
123.00850	0.5
123.04439	0.6
125.02354	2.5
127.03928	5.7
139.03868	0.4
143.03407	5.5
147.04465	0.5
149.06093	0.4
153.01839	100.0
153.02885	5.1
154.02150	0.6
159.04402	0.5
163.03896	1.4
165.05574	0.3
171.02888	1.8
177.05635	0.4
179.03450	0.7
181.01306	0.6
191.03403	1.6
205.04988	0.7
207.02917	0.7
209.04372	0.4
211.07425	0.4
219.02954	0.4
233.04359	0.4
237.03856	1.9
241.75191	0.4
271.09726	0.4
279.05026	0.4
297.06171	1.6
315.07324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0712
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02378	0.6
53.00317	0.4
53.03942	1.0
53.98083	0.3
55.01852	0.5
55.05513	0.3
57.03437	0.9
61.02927	0.4
67.05493	0.5
69.03432	5.1
69.07055	0.5
71.04989	0.4
79.01409	0.3
79.01865	4.7
79.05514	0.5
81.03424	6.5
81.07055	0.8
84.04528	0.3
84.08138	0.3
85.02911	5.1
87.08217	0.3
91.05470	0.8
93.07089	0.4
95.04987	0.4
97.02901	2.2
97.06520	0.5
98.21516	0.7
99.04452	0.4
100.03954	0.3
100.07612	0.5
100.11296	0.4
105.07056	0.5
107.01327	2.5
107.04984	0.5
107.08614	0.3
109.02878	4.7
119.04977	0.3
121.06517	0.4
121.10178	0.4
123.04465	0.6
125.02347	4.6
127.03925	5.3
128.10706	0.7
131.04915	0.4
137.05980	1.2
143.03406	6.0
147.04448	0.3
151.03955	0.3
151.07597	1.1
151.63246	0.3
153.01842	100.0
153.02892	5.4
154.02147	0.4
157.10182	0.5
161.05911	0.5
163.03935	0.9
165.05588	0.4
165.06941	0.3
171.02904	5.7
179.07056	1.3
181.10138	0.4
183.04352	0.3
184.07349	0.4
195.08310	0.3
209.13356	0.6
213.44107	0.3
225.07564	1.5
237.12469	0.3
239.06883	0.3
251.09193	0.4
252.13855	1.3
265.08566	0.6
283.09460	0.3
297.06122	2.7
298.14313	1.4
315.07791	0.9
315.12674	1.2
315.19629	0.3
326.40848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
52.66033	0.4
53.03941	1.2
55.01857	0.5
57.03423	1.1
58.06602	2.6
59.06924	0.6
61.02922	0.6
67.05504	0.6
69.03082	0.6
69.03432	6.5
70.06593	0.7
71.04977	0.8
71.50852	0.7
79.01857	5.0
79.05480	0.5
81.03419	9.9
81.07024	0.5
85.02912	5.3
91.05479	1.0
97.02923	3.5
99.04448	1.1
105.07052	0.7
107.01320	2.6
107.04954	1.5
108.05341	0.6
109.02896	5.3
117.07058	0.5
119.07276	0.5
123.04437	2.8
125.02366	4.1
127.03918	6.6
130.03490	0.6
133.66283	0.5
135.04420	0.8
137.06055	0.4
139.03879	0.7
143.03412	7.1
147.04469	1.0
153.01840	100.0
153.02913	6.6
154.02188	0.5
157.07640	0.4
158.07994	0.5
163.03929	3.1
165.05540	1.2
167.01657	0.7
171.02913	4.5
191.03384	0.4
251.49213	0.5
255.09476	0.4
266.08847	0.4
270.11945	0.5
297.06012	4.5
299.11087	1.3
300.11813	0.7
315.07605	0.9
315.14090	2.1
315.17889	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	315.0712
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02396	0.8
53.03941	1.4
55.01864	1.2
55.05495	0.7
56.96557	0.4
57.03426	1.0
61.02937	0.4
67.05490	0.3
68.44283	0.3
68.99796	0.4
69.03086	0.5
69.03433	6.4
69.07071	0.5
71.04990	1.1
71.50788	0.4
73.02924	0.6
79.01857	4.9
79.05497	0.8
81.02993	0.6
81.03425	9.4
81.07051	1.1
83.04974	0.5
85.02909	5.6
88.04008	0.6
91.05479	1.0
93.07037	1.0
95.04990	0.6
97.02914	3.1
99.04466	1.6
105.07030	1.2
107.01350	2.2
107.04974	1.0
107.08598	1.0
109.02886	6.2
109.06500	0.5
119.04948	0.8
119.07337	1.1
119.08582	1.2
121.06493	0.4
123.04434	6.4
125.02361	3.8
127.03921	6.3
128.06271	0.4
133.05003	0.4
135.04436	0.8
135.11713	0.3
137.05965	0.6
137.09567	0.4
139.03920	0.9
143.03421	5.2
147.04433	2.7
147.08064	0.5
149.00563	0.6
150.00934	0.5
153.01843	100.0
153.02924	6.8
157.06439	0.4
161.05974	0.3
163.03929	8.5
165.05551	1.7
165.06860	0.4
165.12802	1.2
166.00719	0.4
167.01323	0.4
171.02901	4.7
177.05608	0.4
177.12689	0.5
191.03455	0.4
194.00032	0.5
195.00720	1.0
205.05002	0.4
207.14035	0.4
209.02753	0.6
210.03009	2.8
225.07655	0.3
225.40437	0.4
297.05997	5.2
315.07458	1.3
315.13486	1.1
315.19437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64205	0.2
50.83328	0.2
51.02390	0.6
53.03939	0.8
54.58303	0.2
55.01876	0.7
55.05501	0.3
55.45535	0.2
56.53147	0.2
57.03442	0.7
61.02919	0.5
62.54459	0.3
67.05491	0.5
68.99776	0.4
69.03432	5.9
69.07066	0.3
69.29964	0.3
71.04976	0.3
71.07554	0.5
77.13001	0.3
79.01855	4.4
79.05496	0.6
80.41977	0.3
81.03419	5.1
81.07043	0.3
85.02912	3.9
85.33139	0.2
91.05488	0.6
91.13467	0.3
93.07065	0.5
94.35400	0.3
95.04927	0.3
95.08581	0.4
97.02902	2.6
97.06506	0.3
98.21529	0.3
99.04458	0.7
101.05455	0.3
104.52982	0.3
105.07029	1.1
107.01309	1.9
107.04976	0.7
109.02880	3.9
119.08578	0.3
123.00790	0.3
123.04427	1.6
125.02357	3.5
127.03933	5.1
131.04921	0.5
133.06480	0.5
133.10103	0.5
135.00832	0.4
139.03951	0.4
143.03406	6.0
147.04387	0.7
151.03947	0.7
153.01836	100.0
153.02879	5.1
154.02173	0.4
156.94878	0.3
159.04407	0.4
161.05998	0.6
163.03960	1.5
165.05554	0.3
169.07613	0.4
171.02892	4.1
177.05611	0.3
179.03549	0.4
181.01242	0.3
189.05618	0.3
191.03430	0.3
195.02914	2.5
205.04872	0.6
206.33809	0.3
237.03922	0.5
241.09641	0.4
245.04543	0.3
255.10301	0.4
259.10855	0.7
283.09637	1.0
283.15237	0.5
294.96149	0.3
297.06015	2.7
315.08133	1.5
315.13193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.7
70.02948	1.9
70.06582	1.2
71.50797	0.9
74.00664	1.5
79.05492	1.0
81.03355	0.7
81.07053	1.8
82.07418	1.0
84.04508	1.3
84.08118	0.7
85.04827	0.7
86.09695	0.7
88.03487	1.0
88.03996	12.1
91.05479	1.2
93.07018	1.1
95.04998	0.7
95.08564	0.8
101.01805	0.5
105.07028	0.7
109.01119	1.2
114.05600	0.6
116.14515	0.5
117.99583	0.9
120.01174	1.1
121.01102	18.3
130.04968	0.7
134.09642	0.6
137.00533	2.6
143.05200	0.6
149.00578	44.7
152.07027	0.8
153.01863	4.5
157.07661	0.8
163.02191	0.7
165.00064	11.6
166.00873	5.2
172.56065	0.6
179.07010	0.7
181.03203	2.2
192.04733	0.8
192.99562	23.1
194.00356	33.3
202.09903	0.7
207.01204	0.8
207.04691	1.0
208.04376	0.8
209.02699	100.0
210.03108	0.7
211.11626	1.4
225.02118	4.1
250.05367	0.7
296.05835	0.7
297.04269	1.1
298.10748	1.0
314.06885	1.5
314.14084	1.3
314.19360	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	314.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80947	0.4
53.03933	0.5
56.96563	0.5
57.03431	0.5
61.01137	1.1
61.02931	0.7
67.05495	0.7
69.03431	3.0
70.06592	6.6
71.49702	0.5
71.50085	0.5
72.08142	0.6
79.05492	0.5
81.03422	0.9
81.07073	0.7
84.08115	0.7
85.02920	2.5
87.02673	0.5
88.03931	0.4
91.05495	0.6
95.06097	5.7
96.04456	0.4
97.02895	46.9
98.97597	0.5
101.00893	0.6
108.08125	10.4
108.08847	0.4
109.02909	0.5
112.07613	4.2
116.07069	0.8
116.98653	0.4
119.01897	1.6
119.03516	0.8
119.04892	0.5
121.06474	0.6
123.06843	0.8
124.07556	1.3
127.03912	0.7
129.03946	0.4
131.01930	0.7
134.04460	0.6
134.06041	1.2
135.00606	1.0
136.06189	100.0
140.07060	1.8
143.01672	1.8
145.03519	0.8
145.04861	0.5
147.04401	0.6
148.06181	0.9
152.07069	5.8
152.10735	0.7
153.01788	3.8
158.09291	0.6
159.04955	0.4
161.02756	1.9
162.07764	0.5
164.05710	5.8
164.06987	0.8
169.03508	0.8
171.05067	0.7
174.93921	0.4
175.11967	1.0
177.00923	1.0
178.07240	3.0
179.03745	1.7
186.06079	0.5
187.04527	0.8
188.07637	0.4
192.06963	0.4
197.00589	0.6
199.04593	0.5
211.14380	3.1
212.07826	0.4
219.02026	1.8
220.08374	0.5
226.09207	0.4
227.04010	0.7
232.94055	0.5
234.03568	0.4
242.05228	0.7
245.05092	1.4
248.07799	1.2
250.09323	0.7
250.94841	0.9
270.21799	2.3
278.07062	1.2
286.04227	0.5
296.08258	2.7
314.09082	6.2
314.12445	6.4
314.18112	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.5
57.03442	24.7
57.07080	69.3
59.82433	0.7
67.05514	14.8
67.66724	0.8
69.07074	12.6
70.90939	1.7
71.08637	46.4
79.05484	1.0
81.07064	18.7
83.08627	16.2
85.10191	23.0
87.06068	0.9
89.06036	4.1
95.08617	23.1
97.10189	8.8
99.11734	1.9
99.34764	0.9
103.07573	3.6
109.10159	11.0
111.11703	2.4
117.09189	1.0
123.11739	5.8
127.31789	0.7
129.26189	0.7
136.47853	0.9
137.13243	2.6
159.02028	0.8
169.08237	0.8
171.94455	0.8
173.15385	0.7
173.71455	0.8
237.22525	0.7
239.23692	5.6
257.24744	7.5
298.27530	0.9
313.27396	100.0
314.27679	1.1
337.23135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	0.9
55.05512	8.7
57.03159	1.0
57.03445	22.0
57.07081	63.3
67.05506	11.5
67.34631	0.7
69.07078	11.4
69.34516	0.9
70.17625	1.1
70.17973	2.9
71.08639	39.4
75.04493	1.0
81.07059	16.5
83.08627	14.1
85.06564	0.8
85.10187	23.0
89.06049	2.9
93.07035	1.3
95.08617	24.8
97.10162	6.5
99.11717	1.8
101.06018	0.8
103.07584	2.6
109.10178	10.9
111.11707	1.4
123.11720	6.0
125.13305	0.9
135.11748	1.0
137.13248	2.1
146.88191	0.8
151.14857	0.9
235.23497	0.8
239.23737	5.3
257.24780	7.2
299.35654	1.0
313.27386	100.0
314.27573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05516	9.6
57.03445	20.3
57.07081	58.7
67.05512	11.9
69.06734	0.8
69.07077	10.5
71.08636	39.8
71.15599	1.3
79.05486	0.9
79.15451	0.7
79.67984	0.7
81.07063	16.2
83.08626	12.1
85.06528	0.6
85.10191	21.3
89.06037	3.7
91.05494	0.7
93.07084	0.9
95.08614	21.5
96.88977	0.6
97.10180	6.5
99.11751	1.3
103.07573	2.8
107.08586	0.8
109.10165	10.5
111.11730	1.3
113.13256	0.7
113.77244	0.6
117.09161	1.0
123.11717	4.7
125.13267	1.2
126.23082	0.6
137.13246	2.3
151.14795	0.9
160.24117	0.6
165.16489	0.9
214.69511	0.6
239.23640	4.0
257.24741	7.5
272.94012	0.6
313.27390	100.0
314.27911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01868	0.7
55.05512	0.7
57.07069	0.8
65.03948	2.9
67.05513	2.4
69.07083	0.4
71.08642	0.3
71.15886	0.5
79.05510	2.0
81.03422	0.5
81.07059	1.1
83.08615	0.5
91.05489	23.0
93.07050	8.8
95.04973	1.8
95.08607	0.9
97.10223	0.4
103.05468	1.8
105.03432	0.3
105.04510	0.9
105.07047	3.4
106.04189	0.4
107.08590	0.7
109.06530	5.1
109.10170	0.5
114.66414	0.3
118.56326	0.2
119.06083	4.8
119.08603	0.6
119.21703	0.3
121.06519	1.1
121.10131	0.6
123.08075	1.6
131.08562	0.4
133.06512	11.9
133.07579	1.0
133.10124	0.3
139.07529	1.6
149.05995	100.0
150.06393	0.9
157.10046	0.3
171.48253	0.3
195.55919	0.3
313.21631	1.4
313.27231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.99357	0.4
55.01861	0.8
55.05526	0.3
57.03424	1.3
65.03938	4.3
67.05513	2.9
69.03429	4.2
69.07076	0.4
70.06591	2.7
70.77571	0.8
71.05003	0.8
77.03918	0.5
79.05482	0.8
81.02988	0.6
81.03425	7.6
81.07053	1.3
84.08133	0.4
85.02908	5.1
91.05481	6.6
93.03396	4.0
93.07022	0.7
94.04178	0.4
95.04971	2.2
95.08621	0.7
97.02897	1.3
99.04474	0.7
103.69769	0.3
105.07027	0.6
107.04980	0.7
108.02097	2.7
109.02885	3.5
109.06580	0.4
109.10151	0.5
110.03670	0.8
111.04442	3.5
115.05459	0.6
117.06995	0.5
119.04950	4.6
121.06508	0.4
122.03654	1.0
123.04459	0.8
125.05989	3.3
127.03918	1.6
127.04818	0.3
128.06241	1.6
129.07004	4.1
131.04939	0.8
131.08556	0.3
133.06526	0.6
136.01628	0.7
136.05197	0.8
137.05984	12.0
141.05467	1.6
147.07999	0.5
149.03078	0.4
151.03915	100.0
151.05017	9.3
151.07521	13.9
157.06471	2.4
161.05991	0.5
163.07582	0.5
165.06929	0.7
169.05011	5.6
170.59807	0.4
173.06012	0.5
174.06779	1.6
175.07555	1.3
178.07770	0.8
181.06425	0.7
189.09122	10.0
193.08344	0.3
193.10190	1.1
203.08626	0.6
210.06862	0.5
221.09631	2.2
224.08412	0.6
239.07069	0.4
249.09093	1.3
253.12239	2.0
263.10635	0.5
269.08054	0.6
281.11826	1.6
295.08188	4.9
313.10889	1.3
313.14392	6.3
313.17911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01865	1.5
57.03428	1.3
61.02930	0.5
61.52329	0.4
65.03945	3.3
67.05505	2.3
69.03088	0.6
69.03431	6.4
69.07053	0.6
70.06593	2.4
71.04996	1.0
71.51414	0.4
71.51833	0.5
77.03917	0.4
79.05484	0.8
81.03419	16.3
81.07058	1.0
84.08146	0.7
85.02439	0.5
85.02911	6.0
91.05490	0.8
93.03408	4.4
93.07047	0.9
94.54279	0.3
95.04974	1.0
97.02905	2.2
97.06473	0.4
99.03891	0.4
99.04436	1.7
103.05461	0.3
105.07034	0.8
107.04965	0.8
107.08617	0.5
108.02092	2.3
109.02890	6.0
109.10129	0.4
110.03652	0.5
111.04446	3.8
120.08105	1.3
120.99984	0.4
121.02837	0.7
121.06526	0.7
121.10107	0.6
123.04440	2.1
123.11713	0.7
125.05984	3.8
127.03926	2.0
129.06987	0.5
131.04926	0.5
133.06508	0.9
136.01555	0.5
137.05989	1.0
139.04002	0.4
140.07079	0.7
141.05476	1.5
145.02896	0.4
149.02328	0.6
149.06021	0.5
151.03914	100.0
151.05019	8.6
152.04324	0.6
163.03911	1.0
169.04956	6.1
181.66585	0.3
189.09247	0.4
195.02815	0.4
267.06522	1.0
267.09567	0.3
272.83334	0.4
283.06073	1.1
284.06790	1.3
285.07614	0.6
295.08191	12.2
313.07043	8.9
313.10724	0.9
313.17700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01864	1.3
55.05524	0.4
57.03433	1.1
65.03942	5.0
67.05505	1.9
68.21790	0.3
68.59063	0.3
69.03435	5.3
70.06598	0.7
70.14125	1.0
70.14535	0.5
71.04976	0.6
73.02931	0.4
79.05487	0.8
81.03420	14.0
81.07057	0.9
85.02901	5.1
91.05486	12.2
93.03420	3.9
94.04178	0.7
95.04966	3.4
97.02917	1.7
99.04458	1.3
100.03573	0.3
103.05466	0.4
105.07030	0.6
107.04980	1.1
108.02099	2.3
109.02879	5.2
109.06530	0.8
110.03666	0.8
111.04449	4.1
115.05466	0.5
119.04945	8.7
121.03973	0.4
121.06517	0.4
121.10170	0.3
122.03654	2.0
123.04470	0.7
123.08063	0.4
125.05994	3.3
127.03905	1.8
128.06221	2.5
129.07022	6.5
131.04900	0.5
133.06505	0.6
136.01471	0.3
136.05235	1.6
137.05980	21.6
141.05489	1.8
143.04895	0.4
145.06508	0.9
146.07344	0.4
151.03917	100.0
151.05020	9.1
151.07538	29.6
152.04295	0.7
155.06096	0.4
156.05701	0.4
157.06505	4.9
161.06001	0.8
161.09668	0.6
163.07578	1.0
165.07036	0.7
165.43590	0.3
169.04973	5.0
169.06349	0.4
174.06752	4.0
175.07578	1.9
178.07803	1.3
181.06526	0.4
189.09116	18.4
193.10117	1.8
203.08615	1.1
206.07202	0.5
209.06003	0.5
221.09630	3.1
224.08252	0.4
225.09024	0.4
237.09135	0.5
238.09900	0.4
239.07091	0.4
249.09146	2.6
253.08661	0.6
253.12256	3.5
266.09317	0.4
269.08173	1.0
281.11832	2.0
284.10574	0.8
295.08121	9.2
308.49930	0.4
313.09100	0.8
313.14359	9.5
313.18127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0553
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
55.01870	10.5
56.96609	1.5
57.03425	1.4
57.07069	2.5
61.02929	6.4
64.12518	1.4
65.03940	2.8
68.99789	2.6
69.03436	6.0
70.06597	2.5
71.50168	1.7
79.01885	1.7
79.05508	2.9
81.03415	2.6
81.07062	2.6
83.01335	1.4
84.08128	2.6
85.02908	2.1
91.05463	3.5
95.05014	1.8
95.08637	2.1
97.02917	2.7
103.05425	1.9
105.03387	2.6
105.07072	1.8
107.04962	2.5
109.02933	6.8
110.07169	1.7
111.04468	2.3
121.02851	5.7
123.04520	2.0
133.02827	2.0
135.04414	6.5
135.09198	1.8
136.07513	2.0
137.02361	12.3
139.03896	10.8
140.07063	1.5
141.01839	6.9
147.04364	1.8
149.02370	16.5
149.06013	4.2
151.03929	19.9
151.05074	1.3
151.07556	2.2
163.03883	9.8
165.01846	100.0
167.40948	1.4
175.03975	2.3
177.01872	20.3
177.05432	8.2
179.03392	18.0
180.08823	5.6
181.09111	6.0
183.02893	47.4
191.03378	10.9
192.06491	2.3
203.03421	2.6
205.01442	8.4
205.03325	2.0
205.04948	12.0
207.02902	5.5
215.03423	2.4
221.04419	10.9
223.02367	18.2
233.04475	27.4
235.02388	5.4
249.03976	16.3
267.05008	21.5
277.03439	25.4
278.03766	1.5
281.11508	1.7
288.76755	1.5
295.04501	25.5
308.81012	1.6
313.05521	19.7
313.27335	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	312.9811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34492	18.6
60.83738	17.7
71.41096	26.5
82.02243	21.3
95.85283	22.3
99.63579	21.5
116.89113	26.2
120.75977	23.2
233.11572	20.2
260.24268	23.1
276.95148	28.1
287.75137	20.6
294.96240	97.4
295.11337	100.0
312.97998	54.7
313.12292	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	312.1957
Annotation	Spiradine A
Peak:m/z	Relative Intensity
65.03936	2.2
65.12560	0.3
67.05453	0.4
69.03462	0.3
69.07058	0.5
70.06599	0.7
70.95452	0.6
79.05486	1.0
81.07071	1.6
91.05484	51.9
95.08603	0.5
106.55479	0.4
108.55860	0.3
109.06535	1.9
118.06550	7.5
119.04945	29.8
126.71874	0.4
132.08105	2.8
133.08870	1.3
133.09933	0.3
134.09650	0.5
135.11798	0.4
137.05981	70.0
138.06326	0.7
146.09618	2.0
149.68417	0.3
151.03937	1.1
159.49753	0.4
176.14351	77.9
177.14738	0.8
199.52943	0.3
202.87440	0.3
244.11726	0.4
312.19574	100.0
313.19937	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	312.196
Annotation	Spiradine A
Peak:m/z	Relative Intensity
55.01871	0.7
55.05536	0.6
57.22666	0.6
61.21225	0.6
64.20297	0.7
65.03930	1.9
67.05501	2.3
69.03426	1.5
69.07069	1.3
69.19854	5.8
70.06588	5.0
71.04992	1.1
72.77660	0.6
73.22649	0.5
79.05515	3.0
81.03413	1.6
81.07058	5.6
84.04502	1.2
84.38168	0.6
84.88260	0.8
88.03977	1.1
91.05489	48.2
93.07043	2.2
95.04995	0.9
95.08614	2.4
97.02927	1.2
98.98475	2.9
102.05540	3.3
103.05454	0.7
105.07048	2.9
107.08606	4.7
109.06513	2.7
109.10188	1.3
116.07053	1.4
118.06552	7.9
118.71275	0.6
119.04951	23.4
119.08583	1.2
120.05246	0.7
121.06521	2.5
121.10139	2.4
123.11703	1.7
131.08591	0.6
132.08128	1.0
133.08826	1.1
133.10152	1.3
137.05988	65.4
145.80057	0.6
146.09633	2.0
147.11624	0.8
148.06064	2.2
149.13293	3.4
151.03918	7.5
151.14847	0.8
152.04190	0.7
165.05505	1.5
176.14362	77.3
177.14638	0.9
192.13860	1.0
234.10306	0.7
235.07533	0.7
237.09230	0.8
250.09912	1.3
252.07590	0.7
252.11299	0.9
253.08441	1.0
257.11731	1.4
265.12286	3.0
269.08151	0.9
271.13116	0.6
281.08038	0.8
281.11151	0.6
289.09213	0.7
312.19592	100.0
313.10690	2.9
313.14377	1.0
313.18079	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	312.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
53.04764	0.8
55.01857	1.1
55.05518	11.0
55.76288	0.7
57.03443	6.5
57.07072	3.5
59.05007	1.3
65.03954	2.5
67.05508	64.6
68.05849	1.0
69.03420	2.5
69.07068	8.5
69.42585	6.1
70.06587	2.6
71.04994	5.6
74.02442	13.1
79.05493	23.5
79.63353	0.8
81.03441	2.0
81.07060	40.4
83.04974	2.7
83.08622	2.5
85.02896	0.9
85.06541	2.3
88.03997	14.8
91.05477	17.0
93.07047	28.4
95.04980	7.7
95.08611	100.0
96.08930	1.5
97.06508	0.9
105.07037	16.1
107.08601	10.5
109.06511	4.9
109.10162	46.9
116.03449	7.1
116.07137	1.2
117.07007	2.4
119.08586	24.8
120.08939	1.2
121.06516	0.9
121.10151	7.5
123.08061	5.4
123.11720	2.8
133.06096	2.0
133.10117	5.3
134.04492	27.3
135.11699	7.3
137.06027	1.1
137.09618	9.0
137.13240	2.0
151.03947	4.3
151.07574	1.0
151.14822	31.5
161.13287	8.8
179.14319	19.8
222.97543	0.8
294.16968	1.2
312.13058	1.4
312.14206	1.5
312.17844	9.8
313.18002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01876	1.9
55.05512	12.4
56.96572	1.5
57.03443	6.1
57.07072	3.2
59.43141	0.9
65.03953	1.9
65.93850	1.0
67.05508	61.7
68.05050	1.3
68.05834	1.2
69.03439	2.4
69.07065	7.9
70.06602	8.3
70.42863	2.7
71.04990	4.7
74.02446	12.7
79.05492	24.6
81.03410	2.2
81.07057	41.0
83.04978	2.5
83.08611	2.4
84.08179	1.3
86.06113	1.4
88.04008	13.4
91.05483	15.7
93.07051	27.7
95.04985	9.3
95.08611	100.0
96.04465	1.2
96.08919	1.8
97.06549	1.2
103.05416	1.1
105.07046	18.6
107.08592	11.3
108.08141	2.0
108.08920	1.3
109.06512	5.2
109.10162	51.1
116.03459	9.3
117.07021	3.5
119.08588	27.9
119.09286	0.8
121.06493	1.3
121.10154	7.7
123.08097	4.3
123.11729	1.6
131.08568	1.3
133.06094	2.1
133.10129	7.6
134.04492	28.2
135.11697	9.4
137.09612	11.9
144.02719	1.1
149.13277	3.1
150.13681	1.7
151.03932	9.9
151.14833	28.6
161.13235	8.7
179.14320	22.9
180.14668	2.1
192.13829	1.2
223.07343	1.2
255.78394	1.4
268.19174	2.8
280.10635	1.4
312.13101	3.2
312.17804	10.0
312.21841	1.4
313.10870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1808
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
55.05507	1.3
56.05042	0.5
57.03437	0.5
67.05495	1.6
69.03437	0.5
69.07056	1.4
70.02950	0.8
70.06597	1.1
71.51096	0.5
75.94167	0.4
79.05494	2.0
80.05015	1.3
81.07063	2.1
84.04513	0.8
84.08158	0.6
85.94636	0.5
86.02440	0.6
86.09646	0.4
87.04449	1.3
88.03991	2.9
91.05476	1.3
92.02612	0.5
93.05788	1.1
93.07053	5.6
94.06587	1.0
95.07323	0.5
95.08598	1.1
96.04478	0.5
98.02424	0.6
100.11234	0.5
105.07040	1.5
107.04991	0.5
107.08603	3.3
108.08128	26.6
109.08936	0.9
109.10139	0.5
110.09696	1.8
116.03487	0.6
118.77008	0.4
119.08572	0.8
120.08100	0.7
122.06032	0.5
122.09678	13.9
123.10499	2.6
124.07597	0.7
133.04984	0.6
133.10144	0.6
134.09668	1.1
135.09000	0.5
135.11728	4.7
136.11234	4.5
137.06039	0.7
137.07150	0.5
139.03853	0.5
147.04518	0.4
150.12793	24.6
151.03954	1.3
151.07533	0.5
151.13588	10.3
152.07101	0.8
152.14346	1.2
153.12679	0.5
162.12778	2.1
164.14360	0.9
165.06602	0.7
165.07803	0.9
166.08649	1.3
172.06104	0.5
176.14287	0.5
178.15936	1.9
180.10187	1.3
194.11723	1.8
196.06079	1.5
200.09146	0.5
208.09740	0.4
208.13326	3.8
210.07649	0.6
212.09073	0.7
214.10645	0.6
222.14883	2.0
224.09213	1.2
238.10690	3.2
248.10304	1.6
250.14500	0.8
266.13852	1.0
268.15454	100.0
269.15741	1.6
270.16959	3.2
312.18060	69.7
313.18365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45890	0.5
55.05558	1.1
57.07114	0.6
67.05556	0.8
69.07132	1.5
70.02685	0.4
70.03001	1.2
70.65918	1.3
79.05500	3.2
80.05083	1.4
81.07122	1.4
83.08652	0.5
86.02484	0.6
88.03989	3.1
91.05514	1.2
93.05866	0.5
93.07044	4.5
94.06656	0.9
95.08657	1.2
95.22463	0.5
98.02469	0.5
100.04028	0.9
105.07119	1.1
107.08620	2.7
108.08124	20.5
109.08437	1.0
109.09053	0.7
109.10232	1.1
110.09770	1.9
116.03542	0.7
119.08648	0.8
120.08174	1.0
121.08959	0.6
122.09685	13.3
123.10514	1.6
128.03523	1.2
133.10207	1.7
135.11700	4.3
136.11197	4.2
140.07080	0.6
141.86345	0.5
146.04474	0.5
146.06023	0.5
146.30133	0.5
150.12788	25.0
151.13586	9.4
152.07167	0.8
153.12758	0.5
154.08615	0.6
161.13287	0.5
162.12851	1.3
164.14395	1.3
165.07883	0.8
165.14757	0.8
166.08670	1.3
166.12329	0.8
177.67645	0.5
178.15993	1.3
179.14392	0.9
180.10307	0.8
180.13872	0.5
180.86400	0.6
190.12285	0.5
194.11874	1.7
196.06134	1.5
198.51579	0.5
208.13367	2.7
209.13763	1.0
210.14801	0.8
214.10774	1.0
222.14951	2.2
224.09308	1.5
224.18417	0.6
238.10762	2.0
238.77147	0.4
239.11551	0.7
250.14409	0.5
266.13834	1.5
268.15411	100.0
269.15704	1.4
270.17007	4.7
312.17966	56.5
313.18347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1303
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
54.69402	0.3
57.03419	0.3
59.40956	0.2
70.06612	0.5
70.12813	0.4
70.13197	0.6
71.06126	0.5
76.98645	0.2
84.08144	0.3
85.02895	0.6
86.09732	0.3
91.05505	1.2
92.05823	0.8
105.03391	0.5
106.03725	0.3
110.03529	5.0
110.06034	0.4
111.06380	0.6
112.91667	0.2
115.78777	0.2
131.04887	0.3
134.09630	0.3
135.03050	1.3
136.07545	0.3
137.08215	2.6
137.51660	0.2
141.07349	0.2
142.52316	0.2
146.53259	0.2
147.97339	0.3
153.04102	1.8
154.08487	0.3
155.08998	0.4
156.00127	0.3
162.05533	0.9
162.07784	0.7
165.06471	0.6
175.06206	0.3
180.08812	100.0
181.09164	0.8
204.10190	2.3
219.24966	0.2
250.10806	2.4
294.13324	1.0
309.14908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	AS 183
Peak:m/z	Relative Intensity
51.47454	1.2
53.03948	2.7
54.02983	1.0
55.01867	2.5
55.05515	65.9
57.03157	1.5
57.03439	25.3
57.07079	31.8
59.04987	1.5
67.05507	12.2
68.25104	1.0
69.07072	67.1
70.76505	3.2
71.08277	1.9
71.08637	16.0
79.05502	8.7
81.07054	16.0
83.04982	2.1
83.08623	64.5
85.10209	8.5
93.07044	7.1
95.08620	12.4
97.06544	5.0
97.10175	43.4
107.08585	6.6
109.10178	4.9
111.08092	1.9
111.11729	13.7
121.10145	8.9
123.11700	3.7
125.09613	2.7
125.13309	2.2
135.04401	1.1
135.11658	8.0
139.11177	1.3
146.84131	1.0
147.77042	1.1
149.13274	3.5
153.12761	1.2
163.14861	1.8
174.02599	1.2
209.11713	3.9
219.21107	2.5
237.11293	3.0
311.25848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58738	2.9
53.03947	10.0
55.05516	32.2
57.07082	5.6
60.97759	3.1
63.08949	3.1
67.05511	43.8
69.07074	57.0
70.89906	8.5
71.08616	3.4
79.05500	27.6
81.03433	4.7
81.07066	41.6
83.08635	16.3
91.05491	46.2
93.07051	100.0
95.04977	51.3
95.08611	91.7
95.09177	6.3
97.06559	20.6
97.10197	4.7
105.06395	6.0
105.07043	74.7
107.08617	49.7
109.06522	13.4
109.10164	33.3
109.63652	3.6
112.25996	3.3
115.05431	4.1
117.07015	18.0
119.08588	64.0
121.06511	19.3
121.10157	42.9
123.08067	13.3
123.11744	16.3
128.06218	4.0
129.07024	7.3
130.07845	5.3
131.08583	21.1
133.10115	39.9
133.10971	4.0
135.08067	12.3
135.11691	13.7
137.09637	4.4
137.13223	5.1
141.06981	5.7
142.07796	10.7
143.08585	15.0
144.09373	5.2
145.10159	32.0
147.11684	18.6
149.09645	6.7
149.13235	4.4
155.08510	3.7
156.09390	5.9
156.92911	3.5
157.10165	23.5
158.10936	3.7
159.08107	3.6
159.11699	39.2
161.09677	8.6
161.13292	10.1
169.10080	9.5
170.10886	5.5
171.11684	13.5
173.13307	13.0
175.14876	7.4
177.16406	14.2
181.10127	3.5
183.11711	5.7
185.13297	13.8
187.14885	6.7
189.16412	13.7
193.10130	4.1
195.11746	5.1
197.13287	8.0
199.14699	4.4
201.16454	8.1
203.17857	3.3
209.13338	5.2
211.14909	8.4
215.17856	5.3
219.17439	4.6
223.14838	6.9
225.16400	3.5
237.04561	3.2
237.11220	5.3
241.66563	3.4
273.88501	4.3
293.22836	4.6
311.23471	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
53.32966	2.1
55.01871	4.3
55.05265	3.7
55.05514	44.1
57.03443	22.4
57.07078	24.1
65.03957	2.5
67.05511	39.6
69.03436	3.4
69.07074	59.2
69.21001	18.1
71.04986	3.1
71.08627	5.4
76.27335	2.1
77.03915	2.2
79.05500	36.0
81.07063	100.0
83.04987	5.8
83.08627	30.9
87.89000	2.0
89.09544	1.9
91.05482	32.7
92.63277	2.0
93.07049	78.3
93.07642	3.8
95.04974	29.4
95.08617	72.3
95.09245	4.0
97.06536	30.2
97.10179	14.1
99.08090	2.4
105.04536	2.2
105.07038	51.5
107.04950	2.6
107.08609	32.7
109.06527	11.5
109.10151	25.7
111.08102	3.4
111.11726	4.4
117.07037	12.0
119.08594	35.9
121.06500	8.3
121.10152	39.5
123.08057	9.7
123.11719	99.3
128.06155	4.2
129.06961	7.8
130.07758	5.4
131.08559	16.9
133.10144	25.8
135.04398	10.8
135.08081	3.8
135.11691	15.3
137.13214	2.6
141.06972	3.1
142.07822	6.5
143.08563	20.5
144.09314	2.8
145.10133	25.4
147.07965	2.7
147.11685	11.3
149.13242	8.0
155.08580	5.1
156.09369	5.8
157.10155	18.1
159.11723	19.1
161.09624	13.4
161.13278	5.3
163.11151	3.2
169.10124	8.4
171.11665	17.8
173.13310	6.2
175.14813	5.9
183.11707	3.9
185.13283	3.3
187.11252	4.9
187.14749	2.7
189.12729	8.2
189.16399	6.8
195.11702	2.5
197.13197	4.8
199.14798	4.0
201.16394	6.4
203.17914	2.7
209.11725	14.2
213.16429	2.6
219.17421	15.8
237.11305	11.7
237.22253	2.6
255.12360	3.7
293.22714	3.2
311.16489	3.9
311.26379	50.4
311.29568	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	311.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.1
56.05030	1.7
67.05505	1.9
69.03423	1.2
69.07067	2.4
70.02955	1.4
70.06576	1.3
70.90394	2.0
72.04522	5.0
74.02449	0.9
77.11558	0.8
79.05499	5.7
80.05003	3.5
81.07073	4.4
82.06573	2.2
83.04974	1.0
87.05590	3.1
91.05487	4.4
93.05708	1.1
93.07059	7.7
94.06570	2.0
95.04980	1.1
95.08631	4.4
96.04503	1.2
96.08151	5.1
97.04009	4.0
98.09657	1.1
105.07034	3.2
106.06508	2.4
107.08569	4.7
108.08125	72.1
109.10192	1.1
110.06070	1.8
110.09663	2.0
116.03455	0.9
119.08579	2.4
121.08918	7.3
121.10175	1.4
122.09028	0.9
122.09690	11.2
123.10447	1.3
124.06718	1.5
124.07600	25.1
131.08566	1.7
133.10127	3.9
134.09666	3.4
135.10609	1.4
135.11690	10.4
136.11195	4.8
137.05956	3.3
137.13264	1.1
143.04500	5.9
147.04390	1.7
148.11310	0.9
149.05934	1.0
150.12784	23.1
151.13591	5.6
152.14331	3.6
161.05959	0.8
161.13234	2.5
162.09334	1.2
162.12764	3.8
164.14372	30.1
164.15758	1.6
165.07887	19.4
166.08607	3.4
166.15956	4.7
168.10196	1.0
178.15866	3.3
179.09448	1.1
179.11797	1.4
179.14246	1.1
180.10199	0.9
190.12263	2.2
195.07722	2.8
206.15381	3.0
208.13350	29.2
210.14932	4.1
213.12318	1.0
221.16472	5.2
223.18083	16.4
230.11720	1.9
249.15991	3.2
250.14394	16.4
265.19077	1.5
267.17059	99.5
268.15311	5.9
269.18604	2.6
293.18655	2.4
294.17026	2.4
311.12778	5.3
311.19666	100.0
312.17651	4.3
325.04172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
56.05032	0.8
56.32345	0.7
57.03441	0.8
63.98550	0.7
67.05490	1.2
67.69201	0.7
69.07060	2.3
70.06596	0.9
70.18088	2.5
72.04520	4.2
73.37652	0.8
79.05488	3.1
80.05011	1.9
81.07059	2.0
82.06560	1.3
83.29365	0.8
87.05591	2.9
93.07043	7.1
94.06576	1.8
95.08623	2.9
105.07021	1.4
107.08580	3.4
108.08125	63.3
110.09688	2.5
110.92477	0.8
119.08590	1.6
121.08910	6.3
122.09665	9.3
122.22424	0.7
124.07574	1.8
133.10078	1.5
134.09650	2.2
135.10452	2.7
135.11694	8.9
136.11212	5.5
137.13205	1.2
139.03896	2.9
141.10173	1.0
150.09148	0.8
150.12791	20.1
151.13582	5.5
152.14368	3.5
161.13264	1.5
162.12775	3.6
164.14369	27.1
165.07872	14.6
166.08653	3.0
166.12325	1.2
166.15945	4.0
166.61092	0.8
168.10191	0.8
176.14301	1.0
178.15831	1.9
179.11877	1.5
179.14224	1.0
180.13829	0.9
190.12279	2.2
193.88792	0.8
196.09703	1.0
196.16919	0.9
201.42953	0.7
206.15416	2.0
208.11472	1.6
208.13354	24.9
208.16924	2.2
210.14854	9.3
213.12402	1.9
221.16518	4.5
223.18036	10.7
249.16013	2.8
249.19646	2.0
250.14421	10.7
252.15973	3.5
267.17050	100.0
268.15240	5.3
269.18640	6.1
293.18524	1.0
294.17117	2.6
311.19672	66.0
312.18170	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.7
56.05044	0.8
67.05524	1.0
69.07093	0.9
70.06576	0.8
70.17726	1.1
70.18134	2.5
72.04517	4.3
76.68765	0.7
79.05489	2.3
80.05029	2.4
81.07067	2.6
82.06559	0.8
84.08153	0.7
87.05603	1.9
91.05486	1.6
93.05783	0.7
93.07040	6.4
105.03426	3.9
105.07018	1.6
107.08631	4.1
108.08128	57.1
109.10150	0.8
110.09682	1.1
119.08571	1.5
120.08116	0.7
121.08891	4.0
122.09669	7.9
124.07613	1.9
133.10162	1.1
134.09671	2.4
135.10620	1.3
135.11710	8.0
136.11220	4.0
137.13316	0.9
139.03851	3.4
140.04298	1.5
149.82552	0.7
150.12791	15.7
151.08650	0.9
151.13557	4.2
152.14362	2.4
161.13361	1.2
162.12807	2.2
164.14363	22.2
165.07870	15.9
166.08624	1.6
166.15822	1.0
178.15941	2.4
179.09399	1.0
180.10152	0.9
190.12326	2.6
193.13359	0.8
195.07660	1.3
204.13931	1.1
206.15340	1.0
208.13341	23.0
208.16982	1.4
210.14920	2.1
211.13028	0.7
221.16588	4.6
223.18068	9.3
249.16026	2.0
249.19586	1.5
250.14423	10.2
252.16074	1.1
265.15601	0.8
267.17065	100.0
269.18546	2.0
285.02039	0.9
290.79306	0.7
293.18628	1.8
294.16953	1.3
311.05246	1.9
311.19662	57.7
315.64194	0.7
322.34671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00219	0.2
51.02381	0.3
53.03944	0.9
55.01871	0.4
55.05510	0.6
65.03957	0.6
67.04248	1.1
67.05502	1.1
70.06585	0.3
71.51247	0.3
73.02885	0.4
79.05503	0.4
80.05028	0.9
81.07037	0.3
82.06587	3.8
83.01329	0.6
84.08142	0.7
85.02901	0.9
85.06548	0.3
91.05486	20.5
92.05804	0.4
94.06561	0.4
95.04985	1.6
95.08597	0.4
101.02360	0.5
105.03398	23.2
105.04531	0.8
106.03715	0.3
107.04948	1.0
108.08133	0.4
109.06542	1.0
110.06049	100.0
111.06391	0.4
112.07615	3.5
113.02337	0.5
121.06477	0.3
122.06031	0.6
123.04424	0.4
124.07601	0.5
134.06056	0.3
135.04424	0.6
136.07578	0.9
137.05991	0.5
138.09100	0.2
140.07072	29.7
142.08641	3.4
147.04378	0.3
152.07133	0.7
154.08623	2.5
156.06543	1.6
156.10187	0.4
172.09698	2.6
180.17497	0.3
208.09766	0.4
230.11758	0.8
233.12881	0.3
248.12827	1.1
250.10794	0.3
251.05522	0.3
251.13914	0.7
257.12817	0.6
258.11292	0.7
267.17020	0.3
275.13922	4.5
276.12283	1.1
293.14987	10.1
301.55090	0.3
311.02350	0.3
311.05573	0.4
311.16034	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	311.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01878	0.3
55.05521	0.6
56.84402	0.3
57.17425	0.3
65.03941	0.7
67.04256	0.8
67.05496	0.6
70.14947	0.8
70.15343	0.4
77.03969	0.3
80.05026	0.5
81.03481	0.3
82.06591	3.1
84.08153	0.8
88.07157	0.3
91.05490	9.2
95.04979	0.9
98.97585	0.3
101.02379	0.3
105.03403	13.8
105.04485	0.6
107.05006	0.3
108.08131	0.5
109.06523	0.5
110.06054	100.0
111.06397	0.6
112.07624	3.0
122.06052	0.3
124.07619	0.6
124.11679	0.3
135.04398	0.7
136.07579	0.9
137.05946	0.3
138.09209	0.4
140.07080	29.1
142.08661	2.8
149.02301	0.3
154.08656	2.6
156.06569	1.2
156.10313	0.4
172.09660	2.6
180.53395	0.3
185.75902	0.4
208.09732	0.4
230.11797	0.5
245.30928	0.3
248.12968	0.5
251.14096	0.8
257.12906	0.4
258.11319	0.9
275.13922	3.6
276.12387	1.2
293.14969	10.5
311.16043	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	311.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32721	0.3
52.07664	0.3
53.03936	0.5
53.16253	0.2
55.01858	0.3
55.05497	0.7
65.03941	0.4
67.04237	1.0
67.05512	1.4
69.03433	0.5
69.07062	0.3
70.06606	0.4
79.05489	0.3
80.91783	0.2
82.06578	2.9
83.04990	0.3
84.08141	1.0
85.02898	0.5
85.06534	0.4
87.46738	0.2
91.05485	11.4
94.06565	0.5
95.04970	0.8
96.04491	0.3
96.08163	0.3
97.02927	0.4
98.06040	0.2
98.20927	1.1
105.03395	5.2
107.04973	0.9
108.08142	0.4
109.06528	1.1
110.06047	100.0
111.06404	0.5
112.07610	2.4
121.06536	0.5
122.06039	0.9
123.04413	0.3
124.07603	1.2
135.04445	0.9
136.07587	1.2
137.06047	0.4
138.05342	0.2
140.07072	27.3
142.08661	3.0
152.07098	0.6
154.08659	3.1
156.06554	1.2
165.25262	0.3
172.09721	1.9
179.11780	0.6
182.15446	0.3
182.32967	0.3
188.10794	0.4
190.08812	0.3
196.16901	0.4
199.04124	0.3
230.11823	1.1
233.12952	0.5
248.12796	1.2
251.13966	0.9
257.12918	0.7
258.11230	1.4
275.13910	5.1
276.12241	2.1
293.14966	14.0
311.12756	0.3
311.16013	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	311.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42197	2.9
53.03937	7.5
55.01861	8.3
56.96560	6.1
57.03428	11.7
61.02914	6.4
65.03942	3.7
69.03432	36.5
69.07055	2.6
70.06571	7.8
70.36404	7.9
71.01336	3.1
71.04989	3.4
73.02913	8.3
79.05464	6.4
81.03406	10.7
81.07079	3.2
83.01338	3.8
83.04972	4.6
84.04513	5.0
84.08132	5.0
85.02909	26.2
87.04459	2.6
91.05490	100.0
95.01314	4.1
95.04957	9.2
97.02894	39.5
98.97567	6.4
99.04472	3.7
102.99259	2.6
103.03961	3.5
103.05469	11.0
105.02731	4.1
105.03404	59.4
107.04937	5.9
109.02855	4.8
110.06063	30.5
111.04429	5.8
113.73341	2.7
115.03936	9.4
115.05433	4.7
117.07011	3.9
119.01923	3.5
119.04971	17.5
121.06513	5.7
122.03658	7.5
122.06033	4.6
123.04440	6.1
124.07597	6.5
127.03929	16.6
129.05521	6.2
131.04912	19.2
133.02859	4.6
133.07584	3.7
134.03635	4.2
135.04434	5.4
136.07579	44.0
137.05991	99.3
139.03888	4.2
140.07063	14.4
141.06989	8.9
142.08627	5.6
143.04903	3.3
144.05615	3.5
145.05029	2.4
145.06505	7.0
146.03636	4.4
146.06024	3.3
147.04440	20.3
149.06003	25.5
151.03917	9.8
151.07529	5.1
152.07065	4.6
154.08650	29.0
159.04404	9.7
160.05212	8.6
161.05975	7.8
161.07129	19.6
162.03130	4.1
163.03879	3.5
163.07567	11.7
164.04738	3.3
164.07033	4.3
167.07042	5.6
169.06487	12.7
172.09134	2.3
173.05978	5.0
175.07550	11.4
176.04776	5.6
177.05461	40.1
177.06865	4.1
177.08937	3.2
179.07053	13.8
187.07498	6.9
189.05437	3.2
191.07027	31.6
197.05952	8.8
201.05449	3.0
203.07004	13.5
205.08611	3.4
215.07024	12.6
221.08133	7.6
223.04410	3.8
229.08577	18.1
233.08142	8.9
257.08273	8.8
275.09299	8.0
275.13962	3.5
293.10059	13.0
293.14865	6.2
311.06689	3.3
311.11978	12.6
311.16110	18.3
319.79132	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.16372	1.2
55.01871	2.4
55.05518	21.9
57.03438	7.3
57.07082	8.6
59.05006	78.6
65.03936	1.6
67.05509	36.5
69.03426	2.7
69.06733	2.4
69.07073	33.2
69.86278	6.1
70.06564	2.4
71.04988	2.6
71.08639	2.5
74.48914	1.2
76.14357	1.4
76.59767	1.4
79.05500	18.9
81.03415	1.7
81.07062	100.0
83.04992	2.1
83.08157	1.5
83.08625	19.5
85.02888	5.3
85.06551	34.7
91.05482	6.8
93.07055	36.0
95.04958	2.2
95.08612	80.0
97.06529	4.3
97.10173	10.2
99.07507	1.8
99.08102	28.1
100.51322	1.3
105.07047	12.0
107.04943	2.3
107.08604	43.2
109.10165	60.8
111.08117	12.8
111.11703	5.8
113.09660	7.3
114.10291	2.1
117.09132	11.8
118.56954	1.3
119.08577	9.8
121.10145	23.2
123.04422	1.7
123.11715	35.8
125.09607	5.8
127.11186	2.0
131.08611	2.2
133.10175	7.4
135.11719	15.2
137.13246	15.0
139.11185	2.8
141.12779	1.6
147.04427	4.8
147.11722	3.5
148.07547	1.8
149.13261	32.0
151.14763	3.9
153.12778	2.1
154.99898	1.4
158.34404	1.4
161.13232	4.1
163.14847	18.5
167.14339	4.1
175.14793	2.6
177.16348	9.6
179.16260	2.3
179.17876	2.2
181.15857	1.7
189.07033	1.6
191.14230	1.5
191.17917	2.2
203.17950	3.8
217.19522	3.7
221.19067	2.0
233.23019	1.5
234.06703	2.0
235.20605	3.1
247.24165	3.2
249.09161	3.4
251.06908	1.7
264.19623	5.4
265.25174	4.2
273.22583	2.2
273.25797	7.8
277.08572	6.0
281.11768	2.7
291.19614	1.8
291.23441	2.2
291.26819	15.3
309.07837	2.1
309.11166	8.7
309.18613	4.6
309.27905	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03939	1.6
55.01876	3.3
55.05514	22.5
57.03443	6.3
57.07081	9.8
59.05006	66.2
65.03945	2.2
67.05509	41.7
67.18950	0.8
69.03434	1.6
69.07071	33.9
69.18659	0.7
70.06605	4.0
71.04991	3.1
71.08633	2.2
71.50878	1.1
73.77211	0.7
77.03895	1.0
79.05498	16.5
81.03429	1.5
81.07061	100.0
82.07399	1.3
83.04971	1.5
83.08624	15.6
84.04491	1.1
85.02925	4.0
85.06549	37.3
91.05491	9.1
93.07047	32.3
93.07641	1.6
95.04971	2.6
95.08612	83.4
96.08956	1.1
97.06530	3.9
97.10167	10.8
98.98412	1.1
99.08101	26.8
105.07036	11.7
107.08601	46.7
109.02881	1.5
109.06546	1.4
109.10162	61.7
111.08091	13.2
111.11723	7.0
113.09656	6.9
114.10308	1.6
117.06963	1.2
117.09135	11.1
119.04971	1.9
119.08595	11.0
120.08134	1.1
121.06487	2.4
121.10150	25.9
123.11715	34.7
125.09628	7.1
125.13281	1.6
127.11208	1.6
129.06917	0.9
129.12839	1.0
131.08504	1.0
133.10132	6.3
135.11710	18.8
137.09631	1.3
137.13266	13.7
139.11157	4.5
141.12740	1.0
143.08574	1.3
145.10147	1.8
147.04456	5.7
147.11696	5.6
148.07613	2.3
149.13269	28.5
151.11276	1.1
151.14836	2.9
153.12750	2.8
154.12302	1.4
155.14386	1.4
159.11592	0.8
161.05849	1.0
161.13266	3.6
163.11189	0.9
163.14827	19.4
165.16449	2.1
167.14365	2.6
173.13356	1.2
175.13380	1.6
175.14862	3.3
176.07040	0.8
177.16414	10.6
178.15945	1.1
179.16376	3.9
179.17719	0.8
181.15947	2.0
189.16397	2.6
191.04135	0.7
191.14371	1.1
191.17987	3.9
192.10150	0.9
193.19557	1.1
195.17462	2.2
203.18042	3.2
205.06474	0.8
205.19504	1.8
206.07291	1.1
209.19092	2.0
217.19443	3.5
221.19078	1.0
234.06790	1.8
235.07765	0.8
235.20595	2.9
245.22635	0.9
247.24280	1.6
249.09094	3.4
264.19641	5.1
265.25296	3.9
273.22495	1.3
273.25766	6.3
277.08643	3.5
279.26904	0.8
281.11670	2.1
291.19827	1.2
291.23227	2.6
291.26776	16.7
291.89166	0.8
309.07584	4.0
309.11255	8.5
309.18759	7.3
309.21912	1.8
309.27893	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	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92318	3.0
52.64256	2.8
55.01863	6.2
55.05515	40.6
57.03436	6.9
57.07086	16.3
59.05001	7.9
67.05176	4.7
67.05511	55.6
69.07069	61.3
69.78702	19.5
70.06591	13.4
71.04990	8.3
71.08628	16.5
72.08155	6.1
79.05489	33.5
81.03416	3.8
81.07063	100.0
83.04982	12.4
83.08625	32.6
85.02920	6.0
85.06538	8.0
85.10194	6.1
91.05489	25.0
93.07056	48.0
95.04974	16.3
95.08614	86.4
97.06532	10.9
97.10163	31.9
98.98492	32.2
99.08102	4.8
105.07048	28.8
107.04967	8.9
107.08583	36.4
109.06526	8.1
109.10163	54.5
110.43875	3.3
111.08086	15.6
111.11739	10.9
113.09689	3.2
113.30519	3.4
114.10301	13.1
115.07585	3.5
119.04931	9.5
119.08575	16.9
121.06503	3.9
121.10159	24.5
122.09696	4.2
123.04434	9.6
123.08081	10.0
123.11707	19.3
125.09654	8.1
125.13269	3.8
133.10167	19.2
135.08093	4.5
135.11740	20.3
137.13300	9.3
139.03862	4.6
139.11157	3.9
145.10147	7.2
147.04408	14.6
147.08015	4.4
147.11685	19.1
149.13266	9.7
151.11223	5.9
151.14824	5.0
159.11627	3.7
161.13268	8.8
163.14864	4.7
165.12730	6.5
171.11723	3.6
175.14832	5.6
177.16464	3.9
179.03432	3.5
179.17900	4.0
180.06602	6.0
181.10161	5.3
189.07051	3.4
191.17944	5.4
206.07314	9.0
217.06447	4.0
217.19553	3.9
221.09663	10.6
234.06802	13.4
235.07634	4.3
235.13278	6.8
247.23886	4.6
249.09138	11.2
251.07170	4.6
262.06180	5.4
265.19931	5.8
265.25192	4.5
273.25772	12.8
277.08521	21.2
281.11841	17.5
291.26831	19.0
294.08762	7.7
309.07773	8.3
309.11185	46.4
309.18649	6.0
309.27863	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03946	2.4
55.01857	3.6
55.05518	24.2
57.03434	2.7
57.07079	9.6
59.05014	12.1
60.50251	1.7
62.59435	1.6
65.03938	2.1
65.65078	1.8
67.05508	41.5
69.03423	5.0
69.07072	37.8
69.07443	1.1
69.88953	9.4
70.06592	6.8
71.01398	1.7
71.05001	3.9
71.08611	3.4
72.08154	2.6
79.05493	23.9
80.22928	1.4
81.03421	5.3
81.07060	100.0
83.04986	4.2
83.08617	18.6
84.04519	2.2
85.02902	6.6
85.06553	22.6
87.33737	1.8
91.05483	15.3
93.07054	40.9
95.04981	4.9
95.08610	81.3
97.06535	4.5
97.07605	2.0
97.10204	11.0
99.07481	2.9
99.08099	26.9
100.11266	5.9
103.07545	2.0
105.07045	14.3
107.04959	3.5
107.08597	34.8
109.02917	3.8
109.06534	3.3
109.10159	70.8
111.04489	1.9
111.08102	14.7
111.11729	9.0
113.09660	2.1
114.10278	8.0
117.05513	1.8
117.07036	2.3
119.04996	4.1
119.08537	9.2
121.06500	2.0
121.10148	28.2
123.04466	2.5
123.11724	29.7
124.07604	1.9
125.09606	2.9
125.13284	2.7
133.10121	9.1
135.11690	21.8
137.09706	1.9
137.13283	16.5
139.11171	5.2
141.07407	1.6
147.04417	15.9
147.11691	6.1
149.13286	23.2
151.11183	2.7
151.14851	3.9
161.13237	4.7
163.14792	13.6
165.16388	2.3
167.14395	2.7
177.05508	2.1
177.16423	8.5
191.17952	4.6
203.17966	3.4
209.19017	4.2
210.14938	2.1
234.06761	2.7
249.08987	2.6
273.25824	5.9
277.08664	3.3
291.08423	1.9
291.26843	41.0
309.07523	6.6
309.11383	5.9
309.18958	11.2
309.27921	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	309.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02999	1.9
55.05502	1.4
56.05040	0.6
57.03411	0.4
60.05638	0.5
67.05490	0.5
69.07063	0.7
69.74919	1.4
70.06597	32.5
72.05652	0.6
72.08159	26.1
72.59291	0.4
76.02235	0.4
79.05521	0.4
79.60114	0.3
81.07066	0.7
83.08630	0.5
84.08137	0.9
86.07205	0.6
89.81686	0.3
91.05486	0.5
93.07043	0.8
95.07314	0.4
95.08616	0.7
96.08150	0.4
97.07661	13.4
98.09702	4.8
98.20812	0.4
100.59760	0.3
107.08590	0.4
108.08113	1.1
108.32056	0.3
110.09681	2.0
111.08073	0.6
112.08735	16.8
114.10297	100.0
115.10627	0.5
119.08582	0.4
123.10455	0.8
131.12894	0.7
133.10138	0.5
134.09669	1.1
152.14346	16.0
155.03557	0.3
157.14490	1.1
160.11147	0.5
161.13335	0.6
180.17448	0.6
182.57979	0.4
194.16629	0.6
198.18568	2.7
206.19054	2.7
211.19189	11.7
232.20605	3.0
246.11493	0.3
249.23186	1.2
250.21680	4.0
265.23892	22.5
266.27878	0.4
274.22714	0.8
291.25427	6.1
292.24112	0.4
303.52203	0.4
309.26486	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03944	6.8
55.01875	2.7
55.05517	19.7
57.03432	5.2
57.07069	10.7
59.05005	16.4
65.76816	2.0
67.05506	37.7
69.03428	4.8
69.06729	3.5
69.07070	40.7
70.06592	6.9
71.04996	3.8
71.08632	6.9
72.55912	2.0
79.05490	25.4
81.03410	4.2
81.07063	100.0
83.04973	3.7
83.08633	21.3
85.02914	5.7
85.06551	26.0
91.05481	14.8
93.07048	39.7
95.04977	3.4
95.08611	84.6
97.06536	5.1
97.10185	10.5
99.08092	24.8
100.11253	8.8
101.31608	2.2
105.07030	12.2
107.08608	37.6
109.10162	68.1
111.08092	15.8
111.11720	9.8
114.10289	8.9
117.05477	4.5
119.04940	3.9
119.08578	6.7
121.10161	26.7
123.11702	25.4
125.09644	3.7
129.07004	2.4
131.08597	2.4
133.10146	6.6
134.10420	2.1
135.11700	25.5
136.14734	2.2
137.13254	18.8
139.11186	5.0
146.05908	2.4
147.04434	16.9
147.11644	5.3
149.13263	20.4
150.31274	2.4
151.11185	2.8
151.14803	4.3
159.70670	2.3
161.13289	3.7
163.14851	15.8
167.14325	2.6
177.05504	3.5
177.16411	9.6
182.15469	2.5
189.16283	2.2
191.17874	2.9
195.17532	2.3
203.17973	4.6
209.19032	5.2
215.58614	2.1
217.19557	4.7
227.17833	2.6
237.09529	3.0
263.06894	2.7
267.45889	2.4
273.25854	5.3
277.08774	2.5
281.11899	2.2
291.26810	39.8
309.11215	7.2
309.18814	3.3
309.27942	7.4
330.04742	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.40282	1.9
53.03944	5.1
55.01867	4.6
55.05519	20.5
57.03428	3.9
57.07057	3.9
66.14923	1.9
67.05508	46.9
69.07079	21.0
69.68957	4.1
69.69364	8.0
71.05003	3.7
71.08631	54.8
73.37049	2.3
79.05497	41.3
81.03405	7.6
81.07063	52.4
82.71210	2.1
83.04984	10.9
83.08611	9.3
85.06556	3.4
91.05480	27.0
93.07044	70.4
95.04983	14.2
95.08604	35.0
97.06523	12.1
97.10195	5.4
99.07487	3.9
99.08096	43.3
105.07029	19.4
107.04958	8.4
107.08598	30.9
109.06492	4.4
109.10168	13.2
117.07005	4.3
119.08595	14.8
121.10163	29.4
123.04404	3.2
123.08093	2.6
127.11217	3.3
129.06996	2.7
130.07866	2.5
131.08574	7.1
133.10103	12.2
135.11694	39.5
137.09621	4.7
141.09070	5.0
144.22409	2.3
145.10100	6.4
147.11671	7.4
149.13257	10.3
151.11188	20.9
153.12709	3.8
159.11731	3.5
161.13293	11.3
163.11212	12.1
165.12756	2.6
165.35155	2.1
167.10724	4.1
171.11655	2.5
177.12793	3.4
179.12738	4.9
179.14319	100.0
181.33131	2.7
221.15509	2.0
235.13210	3.0
235.16908	4.1
241.19713	2.7
251.62286	2.8
259.20602	6.2
277.21667	47.1
277.24667	1.7
309.24390	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.88810	2.1
52.61831	2.1
52.69393	2.3
53.03938	6.7
55.01890	4.0
55.05516	15.6
55.48632	2.0
55.67572	2.0
57.03437	4.6
57.07054	3.4
67.05225	2.4
67.05512	21.6
69.03441	5.2
69.07070	16.3
79.05502	26.0
81.03410	2.3
81.07057	34.3
83.05000	2.9
83.08629	3.1
91.05486	35.9
93.07053	54.1
95.04978	38.2
95.08622	31.2
97.06520	12.7
98.21641	4.6
105.07045	67.6
107.04938	2.4
107.08607	30.5
109.06503	6.4
109.10172	15.7
115.05459	3.4
117.07032	14.6
119.08595	53.8
121.06520	8.3
121.10154	100.0
123.08051	8.7
123.11693	7.1
128.06215	7.9
129.06960	11.0
130.07774	6.0
131.08594	27.9
133.07652	2.3
133.10150	29.5
135.08131	2.7
135.11705	8.8
137.74225	2.4
141.06981	4.4
142.07780	12.8
143.08572	27.6
144.09384	3.6
145.06593	3.0
145.10138	41.0
147.08011	2.8
147.11696	10.8
149.09628	3.6
154.07780	3.5
155.08598	9.5
156.09389	8.4
157.10150	30.7
159.08057	3.8
159.11728	27.9
159.75945	2.7
161.09637	5.6
161.13239	5.5
167.08562	3.8
169.10130	14.7
170.10916	4.7
171.11737	17.0
173.13228	14.1
175.14847	8.4
179.08545	3.7
181.10117	7.4
182.10918	4.3
183.11703	11.1
185.13242	10.5
187.11189	6.3
187.14862	13.3
189.12819	3.3
193.10204	3.5
195.11702	7.7
197.13284	10.3
199.14835	8.6
201.12801	4.0
201.16464	2.6
206.10776	2.5
207.11661	3.5
209.13257	7.6
211.14798	8.9
215.14233	2.8
221.13358	3.3
223.14874	2.4
225.16444	8.3
235.14865	4.7
237.16373	4.8
239.17891	4.9
244.10471	2.4
249.16298	2.9
253.15929	4.4
265.19470	4.2
281.22647	5.5
286.50159	2.4
291.21146	9.1
309.22128	69.1
325.63403	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	5.8
55.01870	16.1
55.05513	57.7
57.03447	10.3
59.04976	3.4
67.05511	53.7
68.36819	2.2
69.03430	14.1
69.07076	24.2
69.24952	2.2
70.06577	4.2
70.85831	5.2
71.04981	7.7
79.05497	59.7
81.03432	19.9
81.07060	100.0
83.04980	21.4
83.08627	28.2
85.02904	9.8
85.06537	3.5
91.05486	32.1
93.07047	42.3
95.04987	21.4
95.08604	36.1
97.06539	12.9
97.10180	43.3
99.08080	3.6
105.07030	27.2
107.04943	9.8
107.08602	30.7
109.06528	12.6
109.10171	18.7
111.04455	15.1
111.08074	9.9
113.05986	3.3
117.07012	11.4
119.04976	2.3
119.08592	19.2
121.06490	6.9
121.10169	20.2
123.04465	3.7
123.08078	40.2
123.11705	3.0
125.09636	37.0
129.07019	6.7
131.08600	14.4
133.06483	2.9
133.10136	15.4
135.08057	9.6
135.11717	15.3
137.09648	10.2
139.11136	2.4
142.07729	2.6
143.08549	6.1
145.10147	13.8
147.04399	5.4
147.08026	8.8
147.11708	7.7
149.09618	6.3
149.13226	2.7
153.09085	6.4
153.12747	5.9
157.10107	7.5
159.07988	2.2
159.11699	6.0
161.09695	3.4
163.11209	29.1
165.09084	10.8
165.12798	2.2
171.10260	3.9
171.11685	4.6
173.09526	3.1
175.11209	3.9
177.12787	2.5
179.10637	2.5
181.12161	5.0
187.11281	3.3
189.11214	27.1
189.12761	3.7
191.10640	6.2
192.03343	2.3
193.12224	13.1
199.14832	3.5
211.13301	4.6
217.15860	7.7
223.13297	4.6
227.12732	4.2
235.13356	2.9
245.19060	3.8
247.20418	2.4
249.09395	2.4
249.14795	3.1
251.06911	2.4
255.17464	4.0
259.59262	2.0
263.20114	3.0
273.18506	27.5
277.08633	5.4
291.14438	2.7
291.19580	67.9
309.11478	12.2
309.20792	20.6
309.27679	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.66834	5.0
53.03946	14.0
55.01869	21.6
55.05516	38.5
57.03440	54.4
57.07071	8.6
65.03944	10.6
67.05173	8.8
67.05511	100.0
69.03432	21.8
69.07069	35.6
70.06603	14.1
70.45705	7.9
70.46048	8.5
71.04990	12.2
72.08146	5.5
72.78048	5.4
79.05502	74.3
81.03423	31.1
81.07063	86.9
83.04982	19.9
83.08625	15.0
85.06568	16.1
90.65544	5.4
91.05481	76.9
93.07053	69.0
95.04984	39.7
95.08614	67.9
97.06530	42.2
97.10152	8.1
99.08107	40.1
105.07053	61.3
107.04958	24.6
107.08598	50.3
109.02882	5.4
109.06506	38.3
109.10175	38.9
111.08091	12.1
117.07020	27.8
119.04977	7.0
119.08591	42.8
121.06529	12.4
121.10162	34.7
123.04438	12.7
123.08079	22.2
123.11710	9.7
125.09630	12.0
127.07613	8.5
129.06964	13.5
131.08591	38.0
133.10121	40.2
135.08090	27.9
135.11742	17.5
136.43422	4.4
137.05991	6.8
137.09596	8.5
141.07024	6.5
143.08601	18.4
145.10115	25.9
147.04440	14.5
147.08047	9.9
147.11667	12.4
149.05814	4.9
149.09633	15.6
149.13268	8.3
151.11131	11.9
153.09131	8.1
155.08580	8.1
157.10153	17.2
157.12691	5.5
159.11743	21.0
160.05045	5.0
161.09592	11.4
163.11246	6.3
169.10118	7.3
171.11705	15.3
173.09647	6.2
173.13322	11.5
175.11302	5.7
177.12761	5.2
187.11127	6.7
187.14822	5.5
199.14886	7.9
205.06477	5.2
207.13905	8.2
208.01489	5.7
217.15865	22.1
219.13808	7.7
235.16893	10.1
245.19154	5.8
255.17438	6.3
257.53418	6.0
263.07288	5.8
263.20129	9.6
273.18552	46.3
277.08630	6.3
291.19534	67.2
292.11005	5.8
294.08942	8.3
309.07849	6.7
309.11215	21.6
309.17502	5.1
309.20453	30.1
309.25958	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.02388	1.8
53.03936	6.7
55.01882	18.1
55.05516	31.0
57.03437	5.8
57.07066	3.6
60.41549	2.1
65.03933	4.8
67.05512	76.5
69.03419	3.6
69.07071	29.2
70.75195	2.3
71.04984	9.9
72.23380	2.0
79.05074	3.8
79.05501	53.4
81.03414	5.1
81.07066	92.9
83.01312	6.4
83.04985	16.3
83.08616	12.1
85.06537	9.0
91.05492	56.9
93.07056	54.8
95.04977	11.4
95.08614	31.3
97.06519	9.0
99.04443	5.4
105.07043	57.9
107.04941	9.3
107.08604	54.0
109.06516	12.0
109.10166	86.3
110.99944	2.3
111.04435	6.7
111.08081	9.7
113.06025	3.0
117.07039	10.5
119.08615	17.2
121.06508	11.2
121.10162	13.5
123.04441	2.9
123.08067	5.4
123.11724	9.5
125.09639	4.0
125.10510	2.2
127.07513	4.8
128.06274	2.9
129.07047	3.9
131.08577	11.6
133.06474	8.7
133.10139	100.0
135.08038	9.1
135.11685	8.3
137.05968	3.7
137.09619	5.7
139.07501	7.4
143.08546	6.8
145.10172	11.2
147.08061	7.9
147.11719	5.8
149.09615	7.9
151.11191	66.2
156.01591	2.1
157.10094	5.8
159.08025	4.0
159.11722	6.6
161.09659	10.8
161.13272	3.2
163.11142	4.1
165.09126	3.7
165.12717	2.6
169.10020	2.3
169.12280	17.1
171.11676	6.5
173.09697	2.8
177.12782	3.0
181.08617	3.1
181.12294	3.2
189.12808	3.2
196.67249	2.3
207.13853	2.3
209.11732	2.6
215.12764	4.3
217.12206	2.7
227.17876	3.1
235.13246	2.9
235.67146	2.2
245.19051	15.9
255.17380	6.4
259.06226	2.3
263.20081	12.1
273.18527	30.1
291.19556	66.6
309.20474	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	2.5
53.80228	1.5
55.01872	5.0
55.05265	2.7
55.05516	28.8
57.03442	2.8
63.55149	1.2
67.05516	17.1
69.03438	4.9
69.07074	12.2
71.51255	2.3
79.05503	19.4
81.03424	3.3
81.07063	21.0
83.04991	5.3
83.08629	14.8
91.05494	10.3
91.29646	1.4
93.07041	15.2
95.04976	6.4
95.08622	10.7
97.06537	2.1
97.10184	19.6
97.74999	1.3
97.89185	1.5
105.07024	12.7
107.04979	5.4
107.08596	11.1
109.06522	1.8
109.10149	5.5
111.04427	2.3
111.08115	2.8
117.07037	4.1
119.08596	7.7
121.06548	3.4
121.10150	5.7
123.04422	2.0
123.08081	8.7
123.11742	1.7
125.09635	15.3
129.07047	2.2
131.08556	3.9
133.06487	4.1
133.10139	6.0
135.08064	3.9
137.06038	1.7
137.09618	2.6
141.07040	1.6
143.08617	2.8
145.10144	5.4
147.08073	3.9
147.11691	3.8
149.09671	2.8
151.11273	1.7
157.10132	2.2
159.11664	2.4
161.09676	4.0
163.11171	2.3
163.56824	1.9
165.09172	5.9
171.10207	1.4
171.11777	1.5
175.11243	2.5
189.11264	9.5
189.12759	2.8
191.14220	1.5
223.13290	4.0
245.18790	2.1
255.17451	1.8
263.20197	1.4
273.18521	13.3
291.19556	100.0
309.17303	1.5
309.20679	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30682	0.8
55.01869	1.6
55.05498	3.1
56.96555	1.2
57.03441	12.7
57.07064	1.4
57.89723	0.9
59.05021	1.5
61.02919	2.1
67.05493	3.4
69.03413	3.0
69.07054	2.7
70.06593	7.2
71.01349	1.9
71.04995	28.5
71.51223	1.4
72.08159	4.1
73.02934	4.5
73.03259	0.9
75.04485	12.2
76.02209	1.0
79.05478	2.9
81.03406	1.7
81.07067	4.8
81.08766	0.8
83.04987	5.6
84.08120	1.9
85.02909	100.0
87.04467	2.4
91.05485	1.9
93.07035	2.2
95.04958	2.6
95.08594	3.4
97.02892	4.7
97.06518	1.1
97.07642	3.1
99.04438	2.4
101.05987	1.7
103.03983	1.3
105.07036	4.9
107.04951	1.3
107.08571	1.3
109.02863	2.8
109.06410	1.0
109.10179	1.4
111.04424	2.5
112.08710	2.7
114.10302	15.8
116.10757	1.0
117.07042	1.1
119.04922	1.2
119.08553	1.9
120.08025	1.0
121.06567	1.2
121.10124	2.1
123.04423	1.8
123.11746	1.4
124.07580	2.8
125.09610	1.0
127.03900	3.6
129.05492	25.1
133.02824	1.1
133.10135	1.1
139.03917	1.2
145.04973	2.1
145.10033	1.0
147.04428	2.5
147.06534	11.6
147.11569	1.2
152.14311	1.4
163.03896	1.3
171.06519	1.2
175.02609	1.0
198.83763	0.9
199.14760	0.8
207.57947	0.9
211.19142	1.9
242.03285	1.0
249.09015	0.8
262.06543	1.0
263.06833	0.9
265.23871	3.4
267.68015	0.7
273.22412	1.0
277.08606	1.0
281.08218	0.9
281.11713	1.1
291.19629	0.9
309.07544	5.1
309.11081	3.9
309.14590	1.2
309.21097	1.4
309.26392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1858
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
51.45724	0.7
55.05498	3.9
56.05017	1.2
57.03424	2.3
63.23076	0.8
64.22695	0.7
67.05518	1.7
68.05019	1.5
69.07055	1.8
70.06586	1.6
71.01357	1.1
71.24403	1.5
71.82619	0.8
79.05508	6.6
80.05013	8.1
80.18219	0.8
81.07047	3.3
83.08637	0.9
84.04501	6.6
85.02910	50.9
91.05499	4.3
93.05804	4.6
93.06544	1.2
93.07045	11.1
94.06557	2.4
95.08617	1.0
97.06533	1.0
102.05547	1.1
105.07030	3.5
107.08599	6.6
108.08124	100.0
109.08908	7.4
109.10107	0.9
110.09689	3.0
113.02354	1.9
113.38932	0.7
114.05511	2.4
119.08556	4.2
120.08121	1.4
121.08872	2.4
121.10119	1.1
122.09632	1.0
130.04997	2.1
131.03450	4.3
133.10143	2.3
134.09648	2.4
135.11732	5.0
148.11217	4.1
160.06001	1.4
161.13194	2.1
162.12726	1.2
176.14360	2.9
177.15131	1.4
178.15945	9.8
180.10181	0.8
194.11763	3.9
201.34099	0.8
210.07594	6.9
212.12865	0.9
220.09683	1.0
238.10745	78.9
239.11397	4.0
240.12317	25.5
244.97202	1.0
308.18567	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2223
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05507	0.7
57.07059	0.6
58.02962	0.3
65.03944	0.3
66.04723	0.5
67.05492	1.0
69.07070	0.7
70.04071	0.7
71.08630	1.1
71.52064	0.3
76.02238	0.4
78.75133	0.3
79.05481	1.0
81.07072	2.7
91.05481	0.9
93.07032	0.8
94.04193	2.4
95.04964	0.3
95.08610	1.0
107.04983	0.3
107.08599	0.5
109.06518	0.8
109.10086	0.3
114.09164	0.4
122.03658	7.1
137.05989	100.0
137.13213	0.4
138.06326	0.9
150.51793	0.3
165.12793	0.7
172.16998	1.3
184.16997	2.2
190.39204	0.3
253.59407	0.3
291.23245	2.3
308.14996	0.4
308.22659	0.6
308.25931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.67256	0.8
55.05502	4.2
56.05032	1.4
57.03423	3.9
57.75103	0.9
59.61030	0.8
67.05489	2.1
68.05036	2.0
69.07075	1.6
70.76273	2.7
71.01365	1.6
76.02241	1.6
77.68154	0.9
79.05508	5.7
80.05026	8.1
81.07053	4.1
81.47968	1.0
83.08572	0.8
84.04507	8.7
85.02908	60.6
87.70099	0.9
91.05476	4.2
93.05795	4.6
93.07046	11.7
94.06553	1.1
95.04981	2.2
95.08583	3.1
105.07032	4.7
106.06552	1.3
107.08598	6.4
108.08121	100.0
109.08910	6.9
109.10130	1.6
110.09679	3.5
113.02358	1.0
114.05540	3.2
115.69965	1.0
119.08591	3.9
120.08096	3.0
121.08911	4.5
121.10176	1.3
122.09644	1.0
126.26731	1.0
130.05025	2.3
131.03429	6.1
131.08583	1.1
133.10092	2.4
134.09639	2.0
135.11725	5.7
148.11211	3.0
154.91432	0.9
161.13258	3.3
162.12825	1.0
176.14294	2.5
177.15121	2.0
178.15913	29.7
194.11714	2.3
210.07654	5.8
218.34062	1.0
220.09599	0.8
238.10753	73.4
239.11490	3.1
240.12318	25.3
248.21196	0.8
308.18567	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.03962	1.7
55.05495	6.0
57.03424	9.1
59.55112	1.6
61.02929	2.8
67.05496	7.2
69.03428	16.6
69.07076	8.0
69.36726	13.5
69.37135	3.4
69.43607	1.5
70.07391	2.1
71.05006	14.9
75.04467	4.9
76.02216	5.7
79.05512	8.5
80.05826	2.3
81.07059	20.4
82.07383	9.4
83.04999	1.7
84.04498	4.7
85.02909	43.8
85.06551	3.7
90.49968	1.8
91.05490	8.1
93.07061	11.7
94.06548	1.6
94.07375	4.7
95.04963	5.3
95.08598	16.2
96.08922	5.4
98.20765	3.6
105.07053	7.7
106.07339	3.1
107.08588	8.8
108.08123	4.5
108.08896	3.2
109.10152	6.7
110.10475	3.2
111.04487	8.0
111.08091	2.3
112.08360	2.1
116.10739	15.4
117.05706	2.2
117.07001	5.7
118.82366	1.7
119.08553	3.3
120.08089	2.5
120.08910	2.8
121.10143	4.6
122.10491	3.9
123.11719	4.2
126.09935	1.8
129.05498	3.9
129.07007	7.9
130.06544	14.6
131.07254	1.9
131.08617	2.2
132.08107	11.6
133.10127	3.9
134.10516	2.2
135.11664	4.0
136.12010	3.7
143.07317	22.9
144.08089	100.0
145.10136	1.8
146.09572	2.2
147.11664	2.9
149.13412	2.3
150.13731	3.1
155.07195	2.1
156.08099	20.5
157.08876	10.6
158.06070	3.9
158.09657	79.9
160.07581	17.8
161.13237	3.1
161.46956	2.0
162.02306	2.6
162.09157	33.2
167.07300	4.9
168.08083	20.4
170.09656	5.6
172.07596	4.5
174.09113	22.9
176.14374	6.6
177.14706	5.6
178.15976	3.9
179.04974	2.2
182.09630	6.7
182.83757	2.2
184.07608	13.7
184.11212	2.4
186.09154	47.3
190.16606	2.2
196.07610	3.0
198.09122	2.9
202.08623	2.6
204.10217	52.9
210.09111	2.6
212.10721	2.8
214.08627	6.2
216.10242	4.1
226.12270	4.9
228.10193	5.8
234.19666	2.3
236.10938	2.0
238.10762	3.5
254.11757	26.4
272.12778	26.2
272.24597	2.5
290.13879	39.0
290.25589	7.7
308.18137	30.2
308.26611	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	308.0911
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.93525	0.6
56.05040	2.6
57.07096	0.5
57.98805	1.1
58.99591	18.5
70.27245	0.5
70.38641	0.8
70.38990	1.3
72.66898	0.5
76.02235	100.0
76.03990	4.2
80.05032	1.2
81.03423	0.6
81.07066	0.7
82.22765	0.5
83.06121	0.9
84.04512	43.0
84.08154	1.2
85.02927	0.9
86.99069	4.8
88.02216	2.1
88.03999	0.9
90.94852	0.5
97.02943	0.5
100.07571	0.5
102.05547	1.1
105.03407	0.6
107.95065	0.6
108.39030	0.5
114.03797	2.0
114.05549	0.7
116.01688	22.4
124.02212	0.6
130.05028	11.7
130.06555	1.2
131.06892	1.6
141.04826	0.8
142.03229	9.7
144.01161	10.7
146.06067	1.1
146.08160	1.0
155.03395	0.8
155.19992	0.5
157.07716	0.8
158.06033	0.8
158.08026	1.4
159.06378	1.5
162.02220	38.4
170.02739	3.2
176.09094	0.5
179.04871	43.4
187.05411	1.5
197.96284	0.7
199.05333	0.6
201.62021	0.5
202.08727	0.5
215.04927	2.4
216.06671	1.2
231.08998	0.6
232.11859	1.1
233.05933	14.8
245.06010	3.3
262.09146	1.0
273.05554	0.7
290.07651	0.8
291.06638	1.8
308.08920	5.4
308.15079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03939	2.4
55.01873	1.8
55.05519	17.9
57.03436	2.4
57.07082	6.3
65.03951	1.8
67.05182	2.0
67.05511	32.0
69.03412	1.8
69.06728	1.9
69.07072	24.5
69.43891	7.5
71.04995	4.2
71.08624	1.7
79.05498	21.2
81.03449	1.4
81.07063	100.0
83.04998	2.2
83.08620	9.8
85.02883	2.3
85.06551	14.1
91.04959	1.9
91.05477	13.8
93.07052	45.2
95.04970	2.5
95.08613	66.7
97.06550	8.4
97.10159	7.2
99.08095	10.9
105.07042	21.3
107.08604	38.9
109.06547	3.0
109.10167	44.8
111.08096	15.9
111.11713	6.2
113.09645	3.5
117.07014	3.1
119.08593	18.6
121.10161	27.0
123.04447	3.6
123.11717	16.8
124.04754	1.5
125.09624	5.1
131.08571	5.3
133.10156	13.7
135.11713	21.3
137.09627	2.1
137.13269	2.7
139.11218	5.8
140.50592	1.4
145.10115	6.8
145.18326	1.3
147.11697	10.0
149.02342	2.4
149.13271	17.7
150.02690	3.1
151.02852	2.3
151.11198	6.9
151.14841	1.5
153.01834	3.8
153.12787	2.0
154.02159	2.2
155.02301	3.3
159.11655	7.2
160.05034	1.3
161.13272	9.7
163.11153	1.7
163.14787	7.6
165.12738	4.1
166.80392	1.3
167.14336	1.9
173.13274	3.9
175.14851	7.4
176.14372	1.5
177.14732	2.3
177.16347	4.2
179.14317	2.9
180.13628	1.1
181.04996	3.6
183.13794	1.2
187.14909	1.8
189.16411	6.3
191.17976	2.6
193.15909	2.2
200.12793	1.8
201.16336	3.1
203.18028	2.7
207.17484	2.3
215.06468	1.1
215.17946	2.5
231.06503	1.6
233.07109	2.4
247.13496	1.4
261.06638	1.8
271.24231	4.1
275.09171	1.7
277.25269	2.6
289.06207	1.8
289.12558	2.0
289.25247	18.0
307.17245	3.4
307.26340	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01856	2.4
55.05516	19.5
57.03439	1.4
57.07076	8.8
59.04985	2.1
60.75962	1.2
65.03930	1.8
67.05509	43.2
69.03422	3.0
69.07075	40.0
71.04990	5.4
71.08618	4.6
73.06548	2.2
79.05492	23.2
81.07060	86.2
83.04977	4.9
83.08625	14.4
84.04506	4.8
85.02907	5.5
85.06525	4.2
85.10183	2.1
88.22245	1.3
90.30286	1.1
91.05482	15.9
93.07050	39.4
95.04962	9.8
95.08612	100.0
97.06528	8.2
97.10174	12.2
98.06869	1.2
98.21590	2.8
98.98481	1.4
99.08102	2.6
102.05547	2.6
102.11209	1.3
105.07032	22.9
106.06541	5.5
107.07358	3.6
107.08595	34.4
109.06529	5.2
109.10162	58.6
111.08083	12.6
111.11720	8.5
116.07105	2.3
117.06965	2.4
119.08594	18.0
120.08117	1.5
121.06504	2.3
121.09333	1.8
121.10155	25.0
123.08072	3.7
123.11717	24.9
124.59888	1.3
125.09664	3.2
125.13287	2.1
127.07595	2.0
130.05005	18.8
131.08592	2.8
133.10144	17.0
134.09531	1.3
135.11705	22.0
136.42082	1.2
137.09593	3.9
137.13272	13.4
139.11200	3.1
145.10127	7.8
147.11707	12.6
149.13298	18.7
151.11151	6.4
151.14850	4.1
155.10660	2.9
159.11694	5.1
161.13277	11.2
163.11247	2.1
163.14824	13.3
165.12784	5.2
165.16359	2.2
173.13298	3.2
175.14842	10.2
176.12140	1.3
177.16409	7.8
178.15918	53.9
179.14313	2.8
179.18016	1.7
183.13899	1.8
187.14850	4.2
189.16370	7.3
191.17999	2.3
193.08026	2.6
193.15866	1.7
201.16373	4.3
203.18004	1.5
207.17361	1.9
215.17950	4.5
238.78831	1.3
243.20927	1.6
245.22691	3.3
263.23752	4.6
271.24194	16.7
277.89844	1.4
289.25275	18.1
290.17441	2.5
307.09659	3.3
307.16666	1.9
307.20465	12.5
307.26297	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	307.2633
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03942	4.2
55.01872	3.9
55.05268	2.8
55.05516	35.3
57.02161	1.7
57.03437	5.1
57.07077	17.2
59.04993	5.3
65.03943	2.0
65.99004	1.9
67.05178	3.4
67.05512	45.5
69.03460	3.2
69.07076	85.0
69.12563	1.8
71.04994	5.5
71.08636	9.0
71.50874	1.8
71.51276	1.7
76.02235	2.5
79.05505	30.3
81.03410	5.0
81.07064	99.6
83.04990	8.1
83.08154	2.2
83.08632	34.1
84.08153	2.2
85.06533	5.9
85.10196	3.5
91.05492	21.1
93.07053	67.9
95.04981	16.9
95.08614	100.0
97.06552	15.1
97.10171	15.8
98.98528	2.4
99.08070	4.7
105.07037	34.5
107.04935	3.1
107.08604	45.1
108.16207	1.9
109.06510	7.4
109.10168	50.9
111.04479	2.5
111.08083	14.9
111.11723	11.1
113.09564	1.8
115.07584	1.9
117.07030	5.1
119.08588	25.3
121.06511	5.6
121.10160	38.8
123.08060	7.6
123.11734	23.2
125.09627	4.0
131.08585	9.7
133.10141	17.2
135.08083	4.3
135.11699	26.4
137.09666	5.1
137.13277	7.4
139.03955	2.7
139.11195	5.1
143.08633	2.4
145.10104	12.9
147.11700	14.7
149.09630	5.1
149.13272	21.9
151.11191	5.6
151.14835	2.4
155.10655	2.3
159.11693	9.5
160.05182	3.3
161.05424	2.6
161.13266	12.0
163.11205	5.6
163.14862	11.7
165.12756	3.8
165.16386	3.4
167.10692	3.1
167.14351	3.4
173.13266	4.1
175.14812	8.6
177.12723	4.3
177.16408	8.2
179.14372	3.1
179.17928	2.6
181.12227	3.1
182.12180	1.9
187.14845	6.0
189.16408	4.9
191.17926	2.7
192.07652	2.6
192.73508	1.7
193.08127	2.2
193.15771	2.3
201.16408	3.7
203.18030	3.0
209.19089	3.6
215.17973	5.7
219.08095	2.1
231.21162	3.0
245.22734	5.6
263.23663	4.7
264.07822	2.7
271.24228	19.3
287.02786	2.0
289.25314	23.4
290.14008	1.8
307.09766	7.6
307.15298	3.4
307.26352	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03949	2.7
55.01856	2.4
55.05516	19.5
57.03439	1.4
57.07076	8.8
59.04985	2.1
60.75962	1.2
65.03930	1.8
67.05509	43.2
69.03422	3.0
69.07075	40.0
71.04990	5.4
71.08618	4.6
73.06548	2.2
79.05492	23.2
81.07060	86.2
83.04977	4.9
83.08625	14.4
84.04506	4.8
85.02907	5.5
85.06525	4.2
85.10183	2.1
88.22245	1.3
90.30286	1.1
91.05482	15.9
93.07050	39.4
95.04962	9.8
95.08612	100.0
97.06528	8.2
97.10174	12.2
98.06869	1.2
98.21590	2.8
98.98481	1.4
99.08102	2.6
102.05547	2.6
102.11209	1.3
105.07032	22.9
106.06541	5.5
107.07358	3.6
107.08595	34.4
109.06529	5.2
109.10162	58.6
111.08083	12.6
111.11720	8.5
116.07105	2.3
117.06965	2.4
119.08594	18.0
120.08117	1.5
121.06504	2.3
121.09333	1.8
121.10155	25.0
123.08072	3.7
123.11717	24.9
124.59888	1.3
125.09664	3.2
125.13287	2.1
127.07595	2.0
130.05005	18.8
131.08592	2.8
133.10144	17.0
134.09531	1.3
135.11705	22.0
136.42082	1.2
137.09593	3.9
137.13272	13.4
139.11200	3.1
145.10127	7.8
147.11707	12.6
149.13298	18.7
151.11151	6.4
151.14850	4.1
155.10660	2.9
159.11694	5.1
161.13277	11.2
163.11247	2.1
163.14824	13.3
165.12784	5.2
165.16359	2.2
173.13298	3.2
175.14842	10.2
176.12140	1.3
177.16409	7.8
178.15918	53.9
179.14313	2.8
179.18016	1.7
183.13899	1.8
187.14850	4.2
189.16370	7.3
191.17999	2.3
193.08026	2.6
193.15866	1.7
201.16373	4.3
203.18004	1.5
207.17361	1.9
215.17950	4.5
238.78831	1.3
243.20927	1.6
245.22691	3.3
263.23752	4.6
271.24194	16.7
277.89844	1.4
289.25275	18.1
290.17441	2.5
307.09659	3.3
307.16666	1.9
307.20465	12.5
307.26297	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03942	5.0
55.01872	11.7
55.05513	28.3
55.29950	2.0
57.03427	3.9
57.07063	3.1
59.04986	2.3
65.03937	2.8
67.05509	68.0
67.84966	1.9
69.03418	4.4
69.07072	22.7
71.04982	4.0
71.08597	2.6
74.20308	1.9
77.51048	1.8
79.05069	3.0
79.05499	49.2
81.03414	7.2
81.07064	92.7
83.05000	10.1
83.08633	15.2
85.06523	6.1
91.05489	48.0
93.06485	3.0
93.07053	46.2
95.04983	35.4
95.08615	45.7
97.06559	11.8
97.10169	7.9
98.98454	3.3
101.53713	1.9
103.05489	2.5
105.07042	51.2
107.04985	10.9
107.08602	34.1
109.06530	17.3
109.10172	33.0
111.08076	3.0
117.07028	19.3
119.08588	52.0
121.02851	3.4
121.06513	8.3
121.10141	21.1
123.08094	19.3
123.11699	9.4
125.09611	7.3
129.06993	6.1
130.07787	3.2
131.08586	24.0
133.06491	3.4
133.10146	42.9
135.08086	12.9
135.11690	10.1
137.06017	11.2
137.09612	17.0
137.13257	2.4
138.06361	9.8
139.11174	4.4
141.07011	3.1
143.08554	4.0
145.10129	17.9
147.11710	22.4
149.09662	12.6
149.13255	4.6
151.11212	16.7
157.10133	3.4
159.11723	14.2
161.09607	3.2
161.13260	7.5
163.11214	10.6
165.12746	8.4
169.10144	2.2
171.11693	3.9
173.09593	2.1
173.13239	9.3
175.11166	3.9
175.14778	2.6
177.12727	6.4
178.79523	2.0
180.15292	2.3
183.11737	5.5
185.13313	2.4
187.11191	2.0
187.14796	2.4
191.14438	2.5
202.09756	2.3
207.13832	2.0
215.14362	2.5
217.44176	2.0
219.17438	2.3
229.19547	6.7
239.17772	2.5
247.20610	13.5
247.64487	2.1
257.19052	14.8
263.20148	3.6
263.61258	2.4
275.20084	100.0
289.21649	10.2
307.19543	2.0
307.22717	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.65147	2.2
53.03950	4.5
55.01878	16.4
55.05514	32.0
57.03447	2.6
67.05508	42.9
68.62571	2.0
69.07069	21.2
69.23109	21.6
71.05008	2.5
71.08637	2.2
78.04722	2.1
78.27211	2.1
79.05076	4.5
79.05500	51.9
81.03429	5.3
81.07064	43.1
83.04974	7.7
83.08617	16.2
91.05488	35.0
93.07046	37.5
95.04967	12.3
95.08607	27.8
97.06541	21.9
97.10177	19.6
98.21547	4.7
105.07028	40.4
107.04939	10.7
107.08599	62.0
109.06521	11.0
109.10146	14.9
111.08110	4.7
117.07034	11.7
119.08600	24.4
121.06522	4.6
121.10152	14.6
123.08075	8.2
123.11699	5.3
125.09642	21.2
129.06961	3.4
131.08580	18.7
133.10141	24.9
135.08069	10.6
135.11731	10.2
135.19382	2.3
137.05986	4.3
137.09647	6.1
138.06319	4.5
145.10120	16.5
147.11719	14.7
149.09604	21.9
149.13248	5.4
151.11206	7.2
153.09106	7.6
157.10149	3.2
157.12238	4.3
159.11679	13.2
161.13275	5.8
163.11221	9.2
165.09116	4.3
165.12749	9.7
166.21643	2.5
171.11674	5.8
173.13278	7.7
177.12827	3.6
183.11783	2.6
187.11284	3.1
187.14943	2.8
197.13306	2.8
203.12752	18.1
229.19531	6.1
233.15430	4.5
239.17966	8.7
247.20563	9.3
252.94092	2.2
257.19031	15.7
275.20084	100.0
278.98331	2.6
289.21716	9.2
307.09512	2.8
307.22739	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01882	20.9
55.05273	2.6
55.05516	29.8
57.03427	4.1
57.07063	3.0
59.04992	3.0
61.82040	2.4
62.26654	2.0
65.03945	2.1
67.05190	3.5
67.05516	44.2
69.03429	4.7
69.07076	22.6
69.51614	14.9
71.04990	3.6
79.05070	4.0
79.05498	57.9
81.03413	4.4
81.07069	44.9
83.04966	7.0
83.08626	12.9
85.02791	2.0
87.12000	2.3
91.04985	2.7
91.05491	32.7
93.07053	38.7
95.04993	11.8
95.08610	25.9
97.06537	20.2
97.10172	20.7
98.20803	4.2
98.98419	2.8
105.07034	38.9
107.04962	17.6
107.08602	76.7
109.06539	11.1
109.10145	14.3
111.08096	4.8
117.07018	9.4
119.08591	23.7
121.06506	5.1
121.10139	13.8
123.08065	8.0
123.11714	3.9
125.09631	23.3
131.08556	16.7
133.10149	23.6
135.08083	10.6
135.11691	10.0
137.05980	5.7
137.09639	4.5
138.06297	2.3
143.08540	3.4
145.10117	19.0
145.45038	2.1
147.11710	14.0
149.09625	32.3
149.13278	3.6
151.11110	11.2
153.09103	5.0
155.08456	2.0
157.10098	2.8
157.12274	2.9
159.11732	12.1
161.09625	3.6
161.13251	5.6
163.11165	7.1
165.09143	4.7
165.12729	5.8
171.11668	3.8
173.13283	5.2
175.11176	3.6
177.12772	4.1
179.10645	2.1
183.11607	2.7
187.11121	4.1
197.13173	3.1
201.12732	2.8
203.12852	13.5
205.12206	3.2
229.19649	5.9
233.15372	3.5
239.17886	9.5
247.20615	9.8
257.19006	17.6
275.20078	100.0
289.21609	6.9
307.22815	25.1
307.28204	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	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83475	0.4
56.05042	2.1
58.06603	4.0
61.64455	0.4
61.83373	0.4
68.05021	0.5
69.07077	0.5
70.68081	1.0
70.68453	0.9
74.02450	0.5
84.03985	0.7
84.04508	22.2
84.08145	100.0
85.08477	0.6
86.06066	7.5
86.09708	6.2
88.03989	0.8
99.09186	0.7
114.12775	0.7
130.06554	1.1
130.08643	1.5
141.13870	7.2
157.07608	1.3
158.06027	1.5
169.13370	9.5
191.10390	0.4
198.11276	1.6
215.12309	0.6
215.13918	33.2
243.17050	46.9
253.32663	0.4
261.16107	0.6
262.11078	2.5
270.07208	0.4
307.16879	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03946	3.9
55.01631	2.4
55.01875	27.5
55.05515	21.3
57.03439	2.9
57.07082	2.7
59.04996	1.6
59.09040	1.6
65.03964	2.0
67.05505	51.0
69.03424	2.9
69.07073	24.4
71.04997	4.2
71.51678	2.2
79.05497	38.5
81.03413	8.7
81.07062	55.7
83.04978	6.0
83.08627	8.4
85.06553	4.4
91.04930	1.3
91.05486	30.2
93.07052	32.6
95.04977	19.7
95.08614	36.7
97.06535	37.5
97.10149	4.6
98.10670	1.7
105.06318	2.0
105.07026	41.5
107.04966	10.2
107.08599	25.4
109.06503	11.3
109.10165	17.4
111.08102	3.7
117.06993	13.0
119.08590	28.9
121.06534	8.2
121.10148	18.4
123.08073	12.6
123.11720	4.7
125.09612	5.0
129.07010	5.4
131.08592	15.6
133.06433	3.3
133.10133	26.4
135.08044	5.9
135.11690	11.9
137.05995	5.7
137.09621	8.2
137.13234	3.1
138.06317	2.2
139.07501	3.4
141.06999	2.8
145.10138	17.4
147.11700	16.8
149.09644	18.8
149.13274	3.5
151.11185	7.0
155.08638	2.6
157.10181	2.6
159.11679	10.8
161.09604	2.8
161.13277	6.3
163.11230	10.4
165.09186	2.1
165.12769	3.3
169.10089	3.1
171.11649	3.0
173.13219	8.7
175.11246	3.7
177.12788	5.4
179.14336	3.1
183.11719	4.8
185.13298	1.8
187.11140	1.8
187.14848	2.0
191.14333	2.7
195.11682	1.5
197.13217	2.6
201.12723	2.3
213.16359	2.5
215.14372	2.4
219.17471	2.2
229.15996	1.7
229.19499	6.0
239.17943	5.9
247.20563	12.5
257.19046	13.6
261.02908	1.8
261.15765	1.8
263.20206	2.8
275.20078	100.0
286.54742	1.8
289.21637	14.1
292.89990	2.0
307.20013	2.1
307.22815	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1653
Annotation	Antibiotic KO 7888B
Peak:m/z	Relative Intensity
52.00290	2.7
53.03925	2.4
55.01867	6.4
55.05513	23.2
55.16395	2.2
57.03441	29.7
58.27952	2.6
65.76283	2.8
67.05506	15.7
69.03394	4.4
69.07067	16.5
70.06577	10.4
72.04491	2.9
79.05493	12.5
81.03413	3.3
81.07069	22.6
82.06573	5.8
83.08627	8.0
84.08149	4.7
85.06537	5.4
91.05481	19.3
93.07053	23.0
94.06565	13.9
95.04975	8.1
95.08611	20.5
97.02907	2.8
97.06548	6.2
98.21489	8.2
98.98488	4.8
99.00793	4.9
103.05519	3.1
105.07052	13.3
106.06549	7.1
107.08598	13.7
108.04400	2.6
108.08188	2.6
109.06485	4.8
109.10157	7.4
110.85973	2.5
111.08094	3.1
113.32051	2.6
117.07029	7.5
118.06550	11.7
118.07365	2.6
119.07315	4.2
119.08581	11.9
120.08096	8.6
121.06497	5.8
121.08862	3.2
121.10161	8.4
122.09640	4.5
123.08106	6.1
123.11689	5.4
129.07007	6.0
130.06598	4.8
130.07822	2.7
131.07376	4.2
131.08562	7.8
132.08105	15.2
133.08875	3.6
133.10130	6.0
134.06023	7.9
134.09637	20.1
135.07971	5.2
135.11693	8.1
136.07593	3.4
136.11241	20.4
137.05952	4.6
138.05502	4.9
138.09103	3.7
142.07785	3.0
143.08556	3.2
144.08092	7.2
145.08888	6.2
145.10129	5.6
146.05905	13.2
146.09659	18.3
147.06758	5.1
147.10449	5.3
147.11670	4.5
148.07556	6.5
148.11247	15.2
149.09637	4.3
149.13242	7.2
150.09143	10.1
151.11134	2.9
155.01102	3.1
158.09651	5.6
159.11649	4.9
160.07597	5.7
160.11238	15.6
161.13277	3.3
162.05510	6.6
162.09184	6.0
162.12769	4.8
163.11208	4.0
164.07123	4.1
165.05701	3.0
170.09668	4.6
171.10387	3.6
172.07581	14.6
173.08369	7.3
173.13214	3.8
174.09187	7.5
174.12770	11.1
175.03978	4.5
175.11211	5.1
176.10756	6.0
187.09920	5.4
188.10724	50.4
190.08559	4.8
190.12332	4.5
191.13052	9.0
192.05080	4.2
192.06557	21.5
192.10234	11.9
192.13828	50.5
200.14354	3.2
202.12260	32.8
204.10248	3.3
204.13890	7.4
205.13358	4.6
216.10242	9.3
216.13904	3.8
218.08200	4.3
218.15421	5.3
219.08154	3.2
220.09727	9.4
226.12250	3.5
230.11835	3.5
233.12790	13.4
234.11267	23.4
236.09204	22.6
244.13326	50.0
246.06531	2.6
247.07648	6.5
248.09274	22.6
248.12833	4.4
251.13879	17.7
261.16064	22.1
262.14407	9.7
264.07852	4.9
265.12054	3.5
271.16827	3.2
272.12827	10.8
289.15387	10.9
289.18109	6.2
290.13873	74.3
292.07294	3.6
307.09796	12.9
307.16510	100.0
307.26382	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	307.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60717	0.4
61.65048	0.3
68.78510	0.4
70.20368	1.7
82.99868	0.9
94.23950	0.3
100.26485	0.4
101.00883	3.4
119.01925	4.7
140.98842	1.1
141.74579	0.4
155.81416	0.5
158.99896	3.5
172.99181	0.5
177.00964	11.6
182.99922	0.8
201.00978	3.7
217.04077	2.4
219.02023	14.9
225.00874	2.1
238.38701	0.4
242.99484	0.5
243.00087	0.2
243.02016	13.7
261.03091	100.0
262.03238	2.3
266.03552	0.4
279.91959	0.4
281.45981	0.4
284.04688	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	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29284	0.9
69.99361	1.6
69.99766	3.8
84.04528	1.7
84.08139	1.1
85.02898	1.2
87.00829	1.4
91.05520	1.0
94.06565	1.9
97.02921	1.8
98.20866	1.3
103.05453	1.0
111.04451	1.3
121.06535	1.1
123.04371	1.4
127.03880	1.1
130.06535	94.9
132.04468	23.4
137.02328	3.5
137.03357	1.0
139.03909	15.6
146.05998	5.6
147.04411	2.9
147.09309	1.0
148.17921	0.9
152.14308	1.7
152.40636	1.0
157.07625	82.2
158.06020	100.0
159.06369	1.2
173.07121	4.6
175.08682	47.1
176.07210	1.3
176.09062	0.9
177.05428	1.2
192.91031	0.8
197.07118	2.5
199.08640	2.8
201.06580	6.3
203.08183	5.4
221.09239	2.7
225.06650	1.3
243.07713	10.1
245.09045	2.3
247.07143	2.5
261.08746	39.3
289.08298	9.4
307.09171	2.7
307.12781	2.1
307.16440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06578	3.0
71.49807	2.8
73.02956	1.8
81.03432	2.8
82.12749	2.1
82.99858	3.2
84.04507	5.7
84.08147	14.0
85.01425	3.8
85.02907	4.4
87.92733	2.0
89.00912	2.2
101.00884	36.8
103.02464	4.7
104.81387	1.9
113.00919	5.4
115.02436	8.6
116.98863	1.6
118.01109	2.4
119.01940	43.5
120.04465	3.4
121.01655	2.9
121.04845	3.8
127.02493	2.2
129.03931	3.1
131.01881	8.8
133.03476	19.3
137.02977	5.4
140.98750	2.3
142.01125	5.1
143.01941	7.8
144.99910	2.0
145.03465	9.3
151.04539	3.1
157.03465	13.9
158.99915	2.3
159.01421	2.3
160.02223	3.7
161.02962	10.9
162.05522	3.0
168.99744	4.8
171.01535	2.8
171.05032	7.1
173.02956	7.6
175.01015	2.7
175.03082	2.6
175.04526	16.9
176.49173	2.1
177.00945	15.0
177.02505	8.1
181.03467	3.0
185.03001	4.4
187.00842	12.2
187.04550	3.0
189.02481	2.6
191.02419	2.8
191.04071	5.9
196.99286	2.4
199.01003	3.6
199.04541	3.9
200.10719	2.8
201.00914	4.2
201.02571	4.0
201.06082	12.7
203.04002	3.7
205.01953	5.0
207.03342	1.9
215.00380	7.4
215.04045	2.7
217.01964	5.1
217.03841	2.2
219.01862	19.8
219.03656	5.7
225.00989	3.5
229.01945	5.4
235.03058	3.2
235.06615	8.9
243.01624	9.5
243.03999	2.5
243.17091	5.0
245.05063	2.8
247.03043	27.8
253.04469	2.0
253.07793	5.0
261.02921	100.0
262.03320	2.3
265.03961	3.4
277.07648	2.8
284.06320	9.3
289.04080	16.6
297.03049	2.4
307.04724	11.0
307.12878	11.5
307.16302	4.1
315.04102	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	307.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53185	1.7
58.99857	2.4
59.00471	1.5
68.98295	1.8
69.03416	2.9
69.81731	8.2
70.99868	2.4
77.00890	1.8
82.99859	6.6
84.08140	4.0
85.01403	4.1
85.02901	3.3
89.00877	2.5
97.01392	5.8
97.02918	2.1
98.20731	2.1
100.00095	2.0
101.00887	67.0
103.00630	3.8
103.02444	8.0
105.34872	2.1
113.00835	7.7
115.02440	17.7
117.02168	3.1
117.04002	1.9
118.01218	2.0
119.01926	100.0
120.01972	2.0
120.04435	2.2
121.01686	4.9
121.03533	2.7
126.98763	2.5
127.02429	4.9
127.03922	2.4
129.03993	5.9
131.01898	21.0
133.03468	41.9
135.03227	7.0
135.04944	2.2
137.02960	10.0
139.02385	2.0
142.01109	4.5
143.01906	14.7
144.99818	4.0
145.03485	13.9
147.01411	2.3
147.03217	4.0
147.05035	4.8
149.02963	3.3
151.04555	5.2
155.01915	3.7
156.02760	2.4
157.03494	11.9
159.01340	5.8
159.05022	2.3
160.02144	3.3
161.02971	20.5
162.05493	2.7
163.04539	2.7
163.05861	2.6
166.01166	1.8
168.99826	13.9
169.03375	2.2
171.01425	3.4
171.05061	4.0
173.02965	11.5
173.06590	1.8
175.02785	5.3
175.04535	11.6
177.01027	2.6
177.02376	11.2
181.11418	1.7
184.02180	1.9
184.37561	1.7
185.02966	5.8
187.00885	28.0
187.04552	2.4
189.02403	6.1
191.04059	7.8
193.03775	2.1
196.99304	8.6
199.00981	2.2
199.04535	2.6
201.02434	3.9
201.06067	17.1
202.89142	9.7
203.04053	6.4
205.02071	10.9
215.00377	37.9
217.02008	4.0
217.05640	4.1
219.01572	2.3
219.03481	14.4
219.05336	2.4
227.04083	3.5
229.01939	22.0
235.06680	18.8
243.17038	2.0
245.05090	6.2
247.02983	63.8
247.05493	3.2
253.07704	15.9
263.05994	2.2
265.03836	8.7
267.09259	2.1
271.02966	3.0
277.07651	8.7
289.03873	14.2
294.79251	1.7
307.04752	8.7
307.08548	5.9
307.16406	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	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86159	2.1
58.88775	1.8
69.03422	3.0
70.05138	6.7
70.05545	3.2
82.99848	7.4
99.17794	1.9
100.00076	10.1
101.00878	36.1
113.00846	6.3
115.02401	10.8
116.07081	2.2
118.01151	7.8
119.01926	37.9
121.01680	2.3
127.02410	2.1
131.01912	10.1
133.03482	18.0
137.02959	4.6
142.01118	15.8
143.01874	11.9
145.03462	7.1
149.02954	11.4
155.01852	2.5
157.03479	43.6
158.99913	2.7
160.02196	17.5
161.02986	15.5
167.03984	4.1
168.87085	2.0
169.03502	3.6
171.01401	3.7
173.02919	9.5
174.00143	4.1
175.01018	2.7
175.03009	3.8
175.04520	59.2
177.00964	6.4
183.01474	2.6
185.02985	4.9
187.04503	7.4
189.02379	5.3
191.04004	18.0
201.00819	4.2
201.02444	7.0
205.01927	7.0
207.03612	4.8
219.01794	15.1
219.03755	4.9
225.00841	4.4
229.01936	2.2
231.03467	3.2
243.01653	11.5
247.03056	5.1
261.03046	100.0
262.03238	3.7
283.48196	2.4
284.04614	3.3
289.04077	20.5
307.05237	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	307.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17284	1.7
69.03423	2.6
70.06586	3.5
70.99856	3.3
73.50898	1.8
82.99830	12.1
83.26907	2.1
84.08131	3.5
85.01402	5.9
85.02884	2.7
90.37550	2.0
91.50283	1.8
97.01395	6.4
99.04491	2.5
100.00111	4.1
101.00888	80.6
103.02447	9.4
109.02850	2.5
113.00895	11.2
115.02453	26.0
118.01163	2.1
119.01928	100.0
120.02003	3.1
121.01630	2.4
121.03552	2.7
126.98756	2.1
127.02414	6.3
127.03956	2.5
129.03973	7.1
131.01903	25.0
133.03479	42.4
137.02991	9.9
139.02443	2.2
142.01108	6.4
142.03465	2.2
143.01886	17.2
145.03490	16.8
147.01451	2.8
147.05063	3.4
149.02991	4.7
151.01346	1.9
151.02579	2.1
151.04506	7.4
155.01970	3.8
156.02652	3.4
157.03470	21.3
159.01480	9.2
159.04991	2.8
160.02151	3.8
161.02963	22.6
167.01994	2.3
168.99847	17.6
170.26141	2.1
171.01376	4.0
171.05084	6.8
173.02946	9.2
173.06554	3.6
175.04555	15.6
177.02408	12.0
184.02211	2.4
185.02933	8.6
186.99289	4.0
187.00876	36.0
187.02478	2.3
189.02371	2.8
191.04057	9.0
196.99370	9.9
199.04538	5.4
201.02522	4.0
201.06099	23.7
202.89091	4.8
203.04007	4.2
205.01984	9.6
214.98483	3.4
215.00394	40.7
216.53168	2.0
217.01981	4.3
217.05550	6.4
219.01726	2.5
219.03627	16.5
227.04016	6.6
229.01967	28.1
233.01469	5.0
235.06619	41.3
238.02040	2.1
245.05087	7.3
247.03012	71.6
247.05533	4.5
253.07756	20.0
261.02838	12.7
265.03989	9.2
267.09271	4.5
271.03119	2.8
277.07718	27.5
289.04083	14.3
295.08780	4.3
307.05136	8.3
307.08371	7.0
307.12848	2.1
307.16351	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	306.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94939	1.2
51.28778	1.5
52.67929	1.1
55.01859	2.1
55.05516	19.1
56.05023	5.4
57.06840	1.7
57.07080	25.1
58.06590	1.4
60.04529	28.6
63.71999	1.4
67.05486	3.2
69.03406	2.1
69.07062	6.7
70.02937	5.9
70.06576	3.0
71.04999	2.2
72.04073	1.2
72.04502	3.4
72.08159	1.4
74.06088	27.4
79.05470	5.0
80.05016	1.8
81.03397	1.2
81.07039	4.0
83.08610	2.3
84.08133	1.9
85.02916	1.5
85.06544	3.0
86.06073	4.6
86.09722	1.4
87.08111	100.0
88.07634	35.0
91.05492	3.1
93.07059	2.2
95.04955	1.4
95.08603	4.0
97.06542	16.9
99.08086	3.9
107.08620	1.5
115.07547	2.1
116.07050	1.6
116.10732	2.5
119.04929	1.6
121.10201	1.3
123.04441	7.7
123.08048	3.3
124.04769	5.6
128.10748	2.5
132.08083	1.5
137.05951	2.7
139.03909	2.4
140.10722	2.3
142.12294	10.0
144.04431	1.5
144.08086	18.3
147.04434	3.4
147.89607	1.3
149.02328	5.9
150.02692	6.7
153.01857	7.7
154.02188	7.9
158.11758	4.5
160.05074	21.0
167.03394	1.4
174.14922	19.5
176.12820	6.9
177.14751	1.4
178.08698	2.3
184.13417	2.7
186.06245	1.5
192.07684	11.3
196.03168	1.7
202.14435	4.4
214.05843	1.9
220.15509	7.6
225.10272	2.9
231.06721	1.7
232.06923	6.9
238.47211	1.4
242.05214	1.3
247.10715	2.3
256.19000	2.0
260.06400	10.4
265.11868	2.2
274.11978	3.2
274.20157	27.4
288.05838	5.0
288.13504	3.6
288.21735	2.2
289.11682	3.0
299.28448	1.4
306.06876	1.9
306.14014	10.2
306.22751	62.7
307.12909	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	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75334	0.3
58.02967	0.4
69.07066	1.2
70.79819	0.9
79.05489	0.8
81.07042	0.8
84.08139	0.3
91.05492	0.5
93.07082	0.4
94.04195	2.2
97.90427	0.4
105.07016	0.4
107.04954	0.5
107.08649	0.6
109.10172	0.5
122.02779	0.4
122.03658	7.3
126.09190	0.4
130.08852	0.3
133.10141	0.6
135.11687	0.8
137.05988	100.0
138.06352	0.7
146.62064	0.3
153.12775	1.2
170.15422	2.3
182.13954	0.5
182.15382	2.9
184.10968	0.3
304.80713	0.3
306.20593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1702
Annotation	Convolamine
Peak:m/z	Relative Intensity
55.05506	0.6
57.03437	3.6
58.06583	1.1
69.07061	1.1
69.63127	2.0
69.63559	1.4
70.06574	1.4
71.01346	1.5
79.05474	0.8
81.07065	1.4
85.02911	50.8
95.08596	0.7
97.06531	2.4
105.07034	0.7
106.06559	8.8
107.08598	0.6
108.04491	1.2
113.02367	2.3
118.06548	1.8
119.07320	0.7
119.08577	0.9
119.79109	0.5
120.08116	12.3
121.02839	0.6
121.08895	16.7
122.09642	0.5
123.04440	2.3
124.04761	1.6
131.03418	2.5
132.08098	9.5
133.02916	0.6
134.05983	1.6
134.09651	4.8
135.10487	0.6
137.06047	0.6
140.02998	0.5
144.08095	0.7
146.09677	2.8
147.10440	2.0
149.02321	2.1
150.02649	2.5
153.01839	4.4
154.02205	3.7
156.08046	0.7
158.09625	0.7
160.05035	3.8
160.11176	0.6
161.12009	1.7
168.03671	0.8
174.09056	0.7
176.14359	91.7
177.14699	1.3
177.18373	0.5
186.09206	0.9
191.08211	0.8
191.11725	0.8
192.07693	2.5
232.06885	2.1
234.12532	0.7
260.06348	5.2
274.11774	1.2
288.05920	1.1
288.12668	0.6
288.15970	1.2
306.17035	100.0
307.17255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24010	0.7
51.07433	0.6
57.07081	100.0
59.99118	10.9
61.17186	0.6
63.16038	0.6
71.51096	1.2
79.05518	0.7
83.80774	0.6
85.07681	1.1
86.06072	15.8
95.04989	1.1
102.03802	3.1
102.99689	1.0
106.06564	60.6
116.05328	46.6
137.05980	7.9
137.06758	0.6
140.69017	0.6
142.12415	1.0
145.04338	10.9
192.58099	0.7
201.10588	56.8
208.05432	4.3
250.10214	3.1
306.16418	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	306.1702
Annotation	Convolamine
Peak:m/z	Relative Intensity
53.74107	0.2
55.14719	0.2
57.03441	2.9
67.05479	0.2
70.81858	0.5
71.01353	1.3
79.05482	0.2
81.07046	0.2
85.02912	42.5
86.03258	0.2
89.02411	0.3
95.01341	0.4
97.06535	0.7
97.80522	0.2
103.03978	0.7
106.06573	0.5
107.08643	0.2
113.02383	1.9
117.07063	0.2
118.06553	17.6
119.07337	0.4
120.08115	0.3
127.02400	0.2
131.03412	1.8
131.07344	0.3
131.08519	0.2
132.08093	6.2
133.08873	2.8
134.09662	1.1
146.09656	5.0
147.10439	0.5
148.11278	0.3
160.05078	1.1
160.11259	0.7
161.11969	0.2
169.19075	0.2
172.53358	0.2
176.14360	93.0
177.14711	1.1
188.05447	0.2
192.07695	0.6
202.15918	1.2
216.13885	0.8
246.14929	0.6
261.58167	0.2
262.10730	0.5
274.11725	0.3
276.12277	0.3
288.16006	1.1
306.17017	100.0
307.17343	1.8
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	Unknow
Peak:m/z	Relative Intensity
50.06041	0.3
50.25369	0.3
55.06721	0.3
56.96106	0.5
57.03442	2.8
57.25265	0.3
62.03275	0.3
70.06613	0.6
71.01335	1.5
71.16322	0.5
71.16675	0.4
84.08194	0.3
85.02907	39.8
95.01303	0.8
97.06533	1.0
103.03934	0.5
106.06570	0.4
113.02381	1.7
118.06541	19.4
119.07347	0.5
130.06450	0.4
131.03413	1.3
132.08093	3.9
133.08902	1.8
134.09644	1.0
146.09656	4.7
147.10394	0.4
152.16393	0.3
160.05032	1.1
160.11179	0.5
176.14351	90.2
177.14671	1.1
192.07689	0.8
193.38863	0.3
202.15915	1.6
216.13826	0.6
246.14932	0.7
248.09131	0.5
254.15959	0.4
288.15933	0.9
306.16998	100.0
307.17303	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	306.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15837	0.3
56.05039	0.9
69.03418	0.4
69.75240	0.6
69.75524	1.9
70.06606	0.7
78.82989	0.3
80.05021	1.1
81.31411	0.3
84.04514	16.2
85.02921	1.5
91.05507	1.0
93.07037	0.4
95.01385	0.4
97.02874	0.5
98.06062	1.7
105.07072	0.3
106.47399	0.3
107.08617	0.4
111.06910	0.3
115.05451	0.8
116.07040	0.4
117.05795	0.6
118.06558	3.7
120.08089	0.4
121.06519	2.1
123.04443	0.8
124.04816	1.1
130.05022	2.5
130.06517	3.9
132.04457	10.1
132.08101	16.9
137.05933	0.6
139.03894	0.8
142.06531	4.4
146.05956	0.4
147.04398	0.8
149.02385	0.6
150.02637	0.5
151.03888	0.4
151.23058	0.4
153.01863	1.0
154.02167	1.1
157.07607	2.0
158.05995	3.7
160.07591	100.0
174.94614	0.3
175.08685	1.3
177.10243	58.9
187.07452	0.5
200.06958	0.5
215.11768	2.4
225.10265	2.0
232.06924	1.0
243.11324	10.4
249.48528	0.3
260.06305	1.3
261.08774	0.9
271.88489	0.4
288.13406	1.3
289.07129	1.0
289.11838	10.5
306.14401	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	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03943	4.4
54.45291	2.0
55.01870	4.3
55.05513	22.5
57.07076	8.2
65.03937	5.5
67.05508	41.1
68.99784	5.4
69.03423	8.2
69.07074	36.0
70.06570	2.8
70.64386	4.5
70.64746	3.4
71.05011	2.3
71.08642	2.1
77.03936	3.1
79.05494	32.8
81.03396	3.6
81.07061	86.7
83.04981	6.0
83.08623	11.8
84.04500	6.2
84.08137	4.2
85.02921	9.6
85.06547	13.5
88.46329	2.2
91.05479	33.8
93.07047	64.4
94.05598	1.9
95.04960	14.3
95.08611	67.2
97.06530	10.0
97.10174	6.0
99.08099	14.3
102.05560	3.6
104.34286	2.1
105.03392	3.4
105.07045	34.1
107.04980	2.5
107.08609	39.5
109.06524	7.3
109.10167	32.5
111.04465	4.9
111.08085	8.7
111.11702	3.6
112.03976	2.0
114.64690	2.2
115.05412	2.8
117.07047	13.3
118.06562	6.1
119.08578	31.7
121.02898	13.1
121.06489	3.8
121.10156	23.6
122.09615	2.2
123.03577	4.2
123.04439	66.4
123.05328	4.0
123.08058	7.1
123.11694	6.8
125.09619	4.7
127.11204	2.0
128.06239	2.9
129.06989	6.6
130.05002	17.8
131.08578	20.1
133.02924	4.3
133.06416	2.4
133.10139	29.5
135.04459	2.6
135.08075	3.4
135.11687	20.1
136.07603	6.1
137.02415	3.1
137.09631	5.4
137.13239	4.3
139.02773	1.8
139.03946	5.3
139.05389	2.1
143.08566	6.4
145.10123	24.9
147.11674	19.8
149.02354	68.3
149.09599	4.7
149.13278	10.7
153.01839	100.0
157.06554	4.2
157.10156	9.2
159.11729	19.0
160.05084	2.2
161.02338	6.2
161.09706	2.4
161.13280	14.1
163.11185	4.1
163.14824	6.3
164.07066	3.6
165.09250	2.7
167.03445	11.7
171.11687	8.2
173.13261	13.1
175.11174	5.9
175.14850	12.4
176.14359	53.8
176.15863	3.5
177.12764	7.9
177.16397	4.8
179.03438	4.4
185.06023	9.8
185.13326	10.4
187.14824	13.6
189.16429	10.5
191.14319	3.4
192.07770	2.2
193.15892	2.6
195.02904	14.9
199.14873	7.8
201.16414	4.6
203.06873	1.9
203.14380	4.1
205.16022	3.2
207.17416	4.9
213.05464	14.9
213.16422	9.0
227.18010	3.1
229.19252	2.4
231.06543	47.6
231.17458	3.1
241.05075	6.7
245.22667	2.8
247.12994	2.1
258.05377	2.5
259.06039	58.1
259.24280	2.9
261.22134	2.7
269.22653	19.1
275.23666	4.5
283.02783	2.0
287.05518	15.7
287.14130	6.7
287.23718	41.7
305.05774	25.1
305.15604	2.9
305.19052	12.1
305.24774	53.7
315.36963	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	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.02375	1.5
53.00296	1.4
53.03945	3.7
55.01860	5.6
55.05517	17.7
57.03434	2.9
57.07061	4.2
65.03928	5.9
67.01861	2.5
67.05183	2.7
67.05510	30.9
68.99789	4.3
69.03419	4.1
69.06739	2.5
69.07074	29.5
70.06596	3.5
70.40527	3.1
71.04992	2.0
77.03924	1.9
79.05499	28.9
79.35265	1.4
81.03384	1.7
81.07059	68.6
83.04962	4.8
83.08629	9.3
84.04536	3.6
85.02915	7.4
85.06563	10.3
91.05483	26.7
93.06483	2.8
93.07050	50.2
95.01363	1.8
95.04992	15.1
95.08612	47.6
97.02896	2.8
97.06541	10.6
97.10161	3.6
99.08090	10.8
102.05523	3.5
103.05403	1.5
104.16603	1.5
105.03383	4.2
105.04471	1.7
105.07037	30.5
107.08603	26.4
109.06528	8.7
109.10158	24.8
109.85578	1.3
111.04437	4.2
111.08073	8.2
111.11724	3.2
113.09641	2.2
117.07024	12.1
118.06545	3.6
119.08586	22.5
121.02887	13.2
121.06473	4.0
121.10165	20.9
123.04437	69.7
123.08080	5.9
123.11733	8.7
123.12554	1.6
124.07570	1.6
125.09661	3.7
127.11244	1.6
128.06161	2.2
129.07016	6.9
129.10075	1.6
130.05028	18.0
131.08592	22.9
132.08102	1.6
133.02864	4.1
133.10141	21.5
135.04417	3.6
135.08076	5.5
135.11679	16.2
136.07513	4.2
137.09602	4.6
137.13235	1.7
139.03893	6.5
139.05487	1.7
139.11224	1.7
142.07741	2.5
143.08601	7.7
145.10141	20.1
147.08072	3.6
147.11685	16.4
149.02353	75.1
149.09612	2.6
149.13275	10.6
150.03137	2.1
151.03888	3.7
151.11136	2.3
153.01837	100.0
155.08499	1.6
157.06497	8.1
157.10173	7.9
159.11682	16.8
160.05055	2.5
161.02376	5.3
161.13251	13.0
162.12920	2.0
163.11176	3.2
163.14816	6.4
164.07054	2.2
165.12857	1.7
167.03398	12.8
167.04774	3.2
171.11778	7.5
173.13275	7.4
175.07597	2.5
175.11220	4.6
175.14799	8.6
176.14359	57.1
176.15866	3.2
177.12759	6.3
177.16299	2.5
179.03406	4.5
183.10178	1.6
185.05991	11.0
185.13268	8.0
187.14839	9.5
189.12743	2.1
189.16420	8.9
191.14310	3.2
193.08690	1.9
193.15892	3.8
195.02902	17.9
197.05908	1.7
199.14838	7.0
201.16379	3.3
203.14430	3.0
203.17923	2.3
205.15854	3.0
211.09619	2.1
213.05464	13.5
213.16328	7.4
217.15938	2.7
227.18039	2.8
229.19530	1.7
231.06531	50.4
241.04903	8.3
241.19377	1.6
243.21053	2.2
258.05106	2.8
259.06036	59.4
259.24252	4.5
261.22034	2.0
269.22614	14.6
275.23727	3.6
287.05594	13.9
287.14169	3.3
287.23697	36.3
288.15994	2.0
305.06445	8.8
305.11526	3.2
305.15427	3.0
305.19083	10.3
305.24759	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	305.0658
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.53867	0.9
54.17003	1.0
55.01874	2.2
62.49250	0.9
65.03933	3.5
67.01857	2.5
67.05498	2.2
68.99791	5.3
69.03431	2.2
69.07066	2.2
70.06586	1.7
70.32021	3.7
77.03947	1.2
81.03425	1.5
81.66438	1.0
85.02875	2.5
91.05496	3.7
92.79477	1.0
93.03391	1.5
93.07097	1.0
94.78345	1.1
95.04980	4.5
97.02918	1.6
102.25811	1.0
103.05465	0.9
105.03390	2.5
105.07018	1.2
107.04951	1.3
109.02874	1.1
111.00834	1.0
111.04439	5.6
120.37364	0.9
121.02865	12.7
123.04443	71.9
124.04790	1.5
127.03903	2.4
129.06966	1.9
130.06534	1.7
133.02821	2.7
135.04416	2.8
136.07578	2.9
137.02324	1.9
138.09203	1.4
138.21353	1.0
139.03897	5.9
142.08630	1.1
143.08971	1.5
146.06030	1.7
147.04451	2.8
149.02359	74.3
150.03114	3.8
151.03912	5.6
153.01843	100.0
154.02501	1.0
157.06482	5.3
161.02361	6.4
161.05968	2.0
163.03908	1.3
164.07083	7.5
167.00069	9.4
167.03424	11.6
168.97980	1.3
171.04337	1.0
173.07227	1.1
175.07584	2.2
179.03432	3.7
185.05980	9.0
189.05394	1.0
192.03210	2.8
195.02927	15.8
203.03497	1.6
203.07178	1.1
213.05470	15.1
231.06549	44.0
236.02161	3.2
236.43092	1.1
241.04993	6.1
258.05219	3.4
259.06046	60.3
264.01846	1.7
282.02762	5.7
287.05521	15.4
287.08417	1.5
287.13776	2.0
305.06476	8.4
305.09491	1.8
305.15332	5.9
305.23990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	3.1
58.99859	3.2
60.05653	6.1
61.64991	2.5
70.06606	17.9
70.15786	9.9
70.57858	2.4
70.99867	4.0
71.04985	2.4
71.06930	2.6
77.00900	3.5
80.96593	2.7
81.03418	4.2
82.99859	8.4
84.08145	2.7
85.02914	4.8
87.01157	2.7
89.00906	3.4
101.00887	55.1
103.00639	4.4
103.02460	4.4
105.02204	4.4
113.00893	6.4
114.05519	10.0
115.02420	26.7
115.05896	3.1
117.04005	4.1
119.01939	62.4
121.01617	4.7
127.02407	3.4
130.09769	6.4
131.01932	12.9
133.01782	5.7
133.03479	100.0
137.02966	4.2
143.01903	7.8
143.08176	6.1
145.03485	35.6
146.00633	3.6
147.01390	4.0
147.03220	10.7
147.04341	5.3
149.02975	9.2
151.04562	8.5
155.01857	3.6
157.03494	6.5
159.05061	12.9
161.01205	2.8
161.02968	11.6
161.06618	3.5
163.04550	11.3
165.04353	3.0
169.03467	9.4
171.05031	7.5
173.02969	67.7
175.04532	6.3
177.02531	2.7
177.06071	2.8
185.02954	7.8
185.09230	5.6
186.09581	10.6
187.00894	3.2
187.04533	14.6
187.06134	3.3
191.04022	62.8
193.03712	4.7
197.02908	3.9
199.04567	7.4
200.09172	14.1
201.00668	3.9
203.03984	5.1
205.05603	18.3
207.01840	3.6
209.05109	4.0
215.04042	11.5
217.05624	11.9
229.05594	3.6
231.00021	2.6
231.03680	3.2
233.05051	18.5
233.07028	5.7
235.06604	10.7
237.06422	2.8
241.05664	4.3
245.05077	32.3
246.09837	2.8
256.06662	3.0
259.06696	6.9
263.06241	27.0
269.05167	3.6
273.04547	3.8
287.06104	29.2
287.14261	9.8
305.07129	40.1
305.14532	24.8
314.47290	2.7
323.08231	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0657
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.81679	0.7
55.01869	1.5
55.94693	0.7
57.03430	1.0
65.03937	3.9
67.01855	1.9
67.05499	2.5
68.99795	5.0
69.03418	2.5
69.07061	2.4
70.06599	1.5
70.94884	0.8
71.08615	0.7
71.50829	1.0
71.51198	0.9
77.03925	1.6
79.05492	1.6
81.07044	1.1
83.01326	0.8
83.04995	0.8
85.02899	2.9
89.03947	1.1
91.05469	2.9
93.03374	0.9
93.07037	0.8
94.06587	1.1
95.04959	5.0
95.08586	1.0
97.02863	2.1
97.06536	0.7
105.03381	2.4
105.07053	1.5
107.04990	1.4
107.08599	1.1
109.02901	1.3
109.06467	0.9
111.04464	5.7
114.10257	1.9
115.05426	1.0
117.03417	0.9
117.07016	1.2
117.97995	1.2
118.06571	0.9
119.08601	1.2
121.02866	11.0
122.06025	2.7
123.04430	68.4
124.04718	0.8
127.03906	2.4
129.06970	2.0
131.04991	1.0
131.08569	1.0
133.02855	3.5
135.04408	3.4
136.07654	1.6
137.02327	2.0
138.09142	1.3
139.03899	5.6
142.08636	1.8
143.08897	1.6
145.06477	1.1
146.06023	1.4
147.04408	2.7
149.02344	73.2
150.03082	1.9
150.05527	1.5
151.03917	5.4
152.04315	1.3
153.01831	100.0
155.03397	1.6
157.06503	6.3
157.37367	0.7
158.06049	1.7
161.02330	5.4
161.05986	1.0
163.03844	1.2
164.07088	3.9
167.00072	6.4
167.03432	11.5
167.04822	1.6
168.97951	1.1
171.02899	1.3
173.13307	3.7
175.03821	0.9
175.07596	1.5
179.03445	4.1
179.84468	0.8
185.01071	1.2
185.05948	9.3
185.10001	1.5
192.03203	1.3
195.02901	19.2
197.05923	1.2
203.03403	1.9
203.07068	0.9
203.14235	0.9
206.23927	0.8
213.05478	12.8
217.04958	0.9
231.06517	51.4
236.02263	1.5
241.05014	4.7
257.43558	0.8
258.05206	2.8
259.06030	62.5
264.01779	1.1
269.04544	1.0
272.99448	0.8
282.02835	4.9
287.05499	16.8
287.13928	3.1
305.06485	8.6
305.09549	1.2
305.11554	1.5
305.15405	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	305.0657
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03954	0.8
55.01881	1.4
55.05516	1.1
58.36365	0.9
64.10899	0.8
65.03942	3.1
67.01854	2.2
67.05499	3.2
68.99790	5.2
69.03428	1.7
69.07043	1.0
70.06602	1.8
71.08611	1.0
71.50929	1.4
77.03938	0.9
79.05495	1.1
81.07079	1.7
83.01399	0.8
83.04973	0.9
84.04525	0.8
84.08141	1.0
85.02898	2.2
88.64103	0.7
91.05486	2.0
93.03349	1.1
93.07019	1.1
95.04978	4.6
97.02916	1.7
97.06554	1.2
105.03399	2.8
105.07050	1.5
107.08624	1.0
107.67342	0.9
111.04449	6.5
121.02866	12.9
123.04434	69.9
127.03908	2.8
129.07018	1.9
130.05034	1.9
133.02875	2.6
135.04422	3.0
135.29041	0.8
137.02353	2.5
137.05957	2.6
139.03888	7.9
146.06000	0.9
147.04434	2.8
149.02350	75.7
150.03137	2.0
151.03925	7.1
151.18047	0.8
153.01836	100.0
157.06485	5.4
161.02394	5.2
161.06021	1.4
163.03920	1.7
166.08540	0.8
167.03426	9.6
167.04793	1.1
175.03876	1.0
175.07507	1.7
176.14427	3.8
179.03403	3.7
185.05983	8.7
195.02884	17.6
203.03397	1.3
203.07004	1.5
213.05472	16.3
217.04967	0.9
231.06522	51.9
241.05057	5.2
258.05222	1.5
259.06030	61.5
287.05487	16.2
287.13971	1.5
305.06592	8.5
305.15005	2.4
305.24747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0658
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01884	1.7
65.03943	3.0
67.01859	2.5
67.05503	1.4
68.99789	3.0
69.03452	2.2
70.65453	3.5
72.46188	1.1
77.03952	1.6
84.04502	1.3
87.02313	1.1
93.03407	1.4
95.04967	4.1
97.02877	1.1
101.38862	1.0
105.03384	1.7
111.04442	4.3
121.02874	10.6
123.04438	64.8
127.03930	1.4
130.05057	1.2
130.06520	3.3
133.02844	2.6
135.04425	2.4
137.02354	1.8
139.03914	5.0
139.05331	1.2
141.07004	1.4
147.04407	2.6
147.95984	1.2
149.02356	69.1
150.03130	2.3
151.03893	3.4
153.01837	100.0
157.06453	5.4
161.02371	7.2
167.03429	10.9
175.07602	2.0
176.14331	4.9
179.03419	3.9
185.06013	9.8
195.02884	16.9
203.03525	1.4
213.05460	15.6
231.06546	52.8
241.04913	6.1
258.05225	1.5
259.06036	56.0
287.05548	13.4
298.28928	1.1
305.06613	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	305.0657
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
52.39238	1.0
61.14957	0.8
64.96900	0.9
65.03931	3.3
67.01862	1.5
67.05492	1.0
68.99789	4.2
70.63961	3.0
76.72832	0.9
95.04955	3.3
95.46423	1.1
97.02861	1.3
98.21394	1.3
105.03384	2.4
111.00813	0.9
111.04443	3.3
114.06003	1.0
121.02864	10.9
123.04436	61.2
123.80778	0.9
127.03899	1.8
128.45772	1.0
129.07028	1.7
133.02820	2.7
135.04427	1.4
139.03879	4.3
145.06517	1.3
149.02354	72.1
150.03081	1.9
150.39359	1.0
151.03896	3.2
153.01840	100.0
157.06520	5.0
161.02386	7.1
167.03406	12.1
171.04381	1.7
175.07622	1.5
179.03429	5.3
185.05971	8.4
195.02921	22.2
203.03496	1.8
213.05487	14.7
231.06538	51.9
241.04988	7.6
258.05215	2.6
259.06039	77.3
287.05505	19.1
305.06549	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	305.0657
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
50.09994	0.6
55.01875	1.4
56.06878	0.7
65.03938	1.7
67.01866	2.0
67.05500	0.8
68.99796	2.5
69.03440	1.9
69.62566	4.5
79.05494	1.2
95.04957	1.8
97.02840	1.1
98.21406	1.1
105.03407	1.0
109.02927	0.8
111.04459	5.3
121.02876	8.7
123.04438	33.9
127.03886	0.9
129.07001	1.3
130.06519	1.7
133.02840	1.5
135.04433	2.2
137.02315	0.8
139.02965	0.7
139.03911	4.1
149.02353	41.8
151.03906	1.5
153.01840	100.0
157.06505	3.3
161.02367	3.0
167.03421	8.8
167.04810	1.1
175.03952	0.9
175.07594	1.0
176.14340	1.0
179.03406	2.3
185.05998	5.5
195.02885	13.6
195.04616	0.8
197.06038	0.8
207.68251	0.7
213.05504	8.7
231.06534	28.7
241.04993	3.3
258.05228	1.4
259.06036	30.7
287.05511	8.5
305.06586	4.1
305.18732	0.7
305.25092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
54.52659	2.3
55.01862	5.5
55.05510	3.3
56.96577	3.4
57.03433	2.8
58.06593	2.7
59.09357	2.3
60.04515	9.0
61.02925	5.9
63.80106	2.1
67.05518	2.6
68.99797	16.9
69.03441	13.4
69.06729	4.2
69.07072	49.3
70.06584	2.1
70.41298	4.4
70.41689	5.2
71.04988	2.7
71.08642	23.1
73.02906	2.7
81.03425	8.9
84.04489	4.7
84.08148	2.9
85.02910	77.1
86.02427	7.2
90.40786	2.2
91.05511	3.8
96.04508	2.4
96.08152	3.1
97.02898	53.5
97.06529	9.7
98.20720	2.3
98.97578	9.9
99.04475	3.5
109.02887	14.5
114.05524	4.9
114.09171	18.3
116.98666	4.3
122.06089	2.8
123.04448	22.4
124.04769	12.8
127.03912	17.7
130.06534	4.8
138.06297	2.5
138.09120	3.8
139.03868	8.4
142.08646	100.0
145.04947	7.1
146.06079	3.2
147.04424	6.1
148.04747	9.0
149.02382	13.9
151.03923	22.7
152.04286	15.3
153.01828	17.8
156.10184	4.1
157.07605	3.4
158.06000	3.8
162.45206	2.4
165.05424	3.8
166.05901	2.6
166.08650	2.8
166.99858	3.5
168.06415	2.5
173.01187	4.9
180.10159	2.7
184.09697	83.7
185.06000	2.5
185.09203	4.7
208.09750	16.0
231.06557	8.0
238.10637	4.9
250.10765	10.8
259.06052	10.4
281.01819	2.9
284.31808	2.9
287.05521	14.3
304.08917	23.8
304.23825	15.2
305.15704	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
53.80791	2.0
55.01868	4.2
55.05507	3.3
56.36182	2.2
57.03432	3.8
60.04517	8.4
61.02932	3.7
68.25639	1.8
69.03439	19.1
69.07071	50.1
71.08633	22.7
71.51400	3.3
73.02915	3.6
79.05460	2.1
79.50113	2.0
79.68084	1.7
81.03415	10.2
84.04504	5.4
85.02911	83.2
86.02424	8.5
96.04472	2.2
96.08122	4.7
97.02896	50.9
97.06515	7.9
98.97589	4.3
99.04451	3.5
103.03944	6.9
105.06985	1.9
109.02888	11.7
109.07649	2.4
111.90203	2.0
114.09179	22.6
119.04977	2.5
120.80402	1.8
123.04434	16.0
124.04743	13.1
126.69846	2.0
127.03913	15.7
130.06535	3.7
135.04445	1.9
138.09094	4.2
139.03909	6.5
140.04268	4.3
142.08643	100.0
145.04959	6.5
147.04431	8.8
148.04787	4.6
149.02344	6.0
151.03911	21.7
152.04266	20.6
153.01869	4.5
154.08800	2.0
156.10201	3.6
163.05962	2.5
166.08598	2.1
173.01340	2.0
180.10185	2.1
182.05302	3.1
184.09698	85.4
185.09183	2.5
208.09694	19.2
218.08727	2.0
220.09747	2.4
238.10741	3.9
242.09253	4.0
250.10840	11.1
259.06119	4.0
286.07986	2.5
304.08936	15.2
304.14096	2.9
304.23813	5.4
305.15802	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	303.2321
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
51.91911	2.1
52.34930	2.2
52.99453	1.9
53.03939	4.5
53.26637	2.0
54.66774	2.0
55.01866	3.3
55.05511	23.4
57.07064	6.9
67.05513	42.4
69.03427	5.2
69.07071	28.4
70.95261	3.4
70.95639	4.8
71.04995	4.6
79.05497	25.9
81.06596	4.1
81.07063	72.6
82.06567	3.5
83.04982	2.5
83.08618	15.2
87.04462	2.7
91.05479	24.0
93.07051	61.4
95.04975	13.1
95.08614	86.6
96.61176	2.0
97.06533	8.6
97.10162	6.5
99.57793	2.1
100.11264	16.4
105.07032	33.5
107.04905	2.7
107.08607	37.2
109.06509	10.2
109.10164	95.8
111.04489	2.7
111.08068	13.5
111.11656	3.2
112.36346	2.3
117.06987	6.0
119.04964	3.6
119.08595	32.6
121.06487	5.8
121.10153	31.3
123.04436	14.3
123.08058	7.5
123.11710	17.9
125.06004	2.6
125.09664	2.5
131.07741	2.3
131.08559	14.9
132.63789	2.2
133.06491	4.1
133.10139	30.9
135.08023	6.8
135.11696	13.3
137.09592	10.3
137.13269	5.5
139.03883	6.4
143.08559	9.2
145.10159	18.9
147.04422	4.4
147.08037	9.4
147.11696	22.3
149.09605	7.3
149.13269	14.5
151.03900	17.0
151.07495	7.0
155.08537	4.0
157.10141	4.6
159.07985	2.7
159.11670	12.3
161.09628	4.2
161.13261	13.3
163.07582	2.5
163.11240	5.0
163.14839	5.6
165.07040	3.5
165.09122	37.5
171.11726	7.3
173.13219	11.1
175.11189	5.2
175.14830	14.9
177.12764	2.7
177.16345	2.6
179.10738	4.0
179.14253	3.3
181.04871	3.2
182.15340	2.7
183.11734	3.2
185.13232	6.5
187.14830	9.5
189.12830	2.7
189.16399	5.3
193.12350	3.5
197.13293	3.8
199.14728	2.7
201.16414	9.0
203.14333	4.2
205.15952	4.4
210.14922	4.1
211.07643	4.3
211.14835	6.5
213.17952	4.7
221.15417	3.6
225.16127	4.4
227.17706	4.3
229.15993	4.2
239.18016	2.4
241.19508	3.6
243.21175	3.0
246.95985	2.2
247.16946	3.4
257.22699	11.7
259.20560	6.4
267.21005	10.9
271.09778	2.8
275.23724	8.1
285.22095	29.1
303.05261	3.8
303.08536	8.6
303.12061	5.2
303.17813	5.0
303.23178	100.0
326.28091	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	303.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01876	5.4
55.05512	43.4
56.96565	8.0
57.03435	5.9
58.34798	3.7
61.02914	3.1
63.25051	4.0
67.05516	5.5
68.05029	3.9
69.03432	48.7
69.31933	3.1
70.06589	6.9
71.04997	8.9
73.06558	100.0
79.05487	5.9
81.03423	25.4
82.12193	3.4
84.08167	4.2
85.02904	29.5
91.05484	7.1
95.04978	5.2
97.02865	20.4
97.06529	6.5
98.20730	8.2
98.97554	8.1
99.04456	16.1
101.06016	72.4
109.02887	10.4
111.04488	4.0
113.09212	3.3
117.75359	3.4
121.06548	5.0
123.04448	15.7
127.03902	18.5
137.06047	6.4
139.03894	8.8
140.03378	19.4
141.03801	20.1
141.05441	35.7
143.03403	10.8
145.04950	6.0
147.04410	9.2
151.03938	29.3
153.05458	7.4
155.33458	3.8
165.05440	8.6
171.02986	4.2
181.08543	4.3
196.65729	4.2
207.06497	5.6
231.04924	10.7
241.70296	4.2
245.66661	3.7
285.09698	12.3
303.05103	8.6
303.08414	9.6
303.13785	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	303.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.9
55.01855	10.6
55.05505	23.1
57.03426	10.4
67.05510	51.7
69.07056	25.5
69.78535	19.9
69.78928	13.9
71.05003	12.2
79.05491	36.8
81.07059	100.0
83.04974	16.1
83.08636	15.3
85.06540	7.2
91.05484	41.3
93.07049	48.9
95.04963	18.5
95.08620	40.7
97.06506	18.2
99.04479	6.1
105.07040	64.0
106.85823	5.6
107.08591	41.6
109.06575	11.1
109.10149	19.6
111.44538	6.0
117.07015	9.6
119.04953	14.2
119.08585	48.6
121.10159	42.7
123.04446	35.0
123.08006	8.3
123.11722	28.6
131.04930	10.9
131.08578	12.6
133.10133	19.3
135.08096	7.9
135.11716	10.3
137.06003	34.0
139.03949	13.8
145.10112	21.1
147.04404	23.4
147.11688	97.5
149.05925	11.8
149.13277	9.4
151.03926	52.3
151.07532	24.4
153.05423	9.5
153.07005	11.5
155.08540	8.6
157.10153	11.8
159.11673	16.9
161.06075	8.1
161.13300	7.7
163.03889	6.6
163.07568	13.4
165.05533	11.6
165.07037	17.7
165.09125	6.8
165.12772	27.5
168.05647	7.3
173.09589	7.3
173.13261	7.7
175.11188	6.8
175.14822	6.9
181.04988	7.3
182.07271	11.1
183.08028	31.7
183.11678	6.6
185.97159	6.4
196.05170	9.7
199.14648	7.9
210.35785	6.4
211.03239	6.5
211.07590	32.0
223.50446	7.9
239.07016	10.0
243.10170	21.8
267.15866	31.1
271.09705	33.4
285.16864	43.9
288.09702	8.0
303.05008	32.7
303.08661	34.6
303.12286	17.8
303.16141	9.3
303.19940	11.6
303.23160	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0864
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02402	0.6
53.03947	0.8
55.01873	4.5
56.94305	0.5
63.84641	0.4
65.03938	1.5
67.05495	2.2
68.99795	1.2
69.03429	1.2
69.07076	1.2
72.93801	1.2
77.03937	1.0
79.01864	0.5
79.05500	1.7
81.03431	2.2
81.07075	0.8
83.01349	0.6
83.04964	0.5
85.02914	1.8
91.05488	16.2
93.03398	1.2
95.04547	0.4
95.04993	3.9
97.02900	1.5
97.06544	0.5
98.20802	1.0
105.03382	2.8
105.07039	0.6
107.04925	2.0
109.02879	3.3
111.04436	2.5
115.05447	1.0
115.98010	0.4
117.07040	0.4
119.04949	10.3
121.02901	1.1
123.04436	62.1
125.05938	0.6
126.98471	0.5
127.03928	1.4
129.06915	0.5
133.06508	0.8
135.04424	5.5
137.02345	0.9
137.05968	1.7
139.03911	20.2
141.06998	1.0
142.08701	0.5
143.04918	1.9
143.97420	3.4
144.08076	4.0
147.04419	30.7
149.05984	0.7
151.03914	100.0
152.96301	0.5
153.05472	2.7
153.06985	0.5
161.05997	6.8
163.03932	6.9
164.99997	0.6
165.01936	0.5
165.05499	12.5
165.06906	1.0
167.07037	0.8
169.06522	0.8
173.05988	5.2
175.03894	1.2
175.07513	0.8
177.05487	1.3
179.03383	1.0
179.07019	2.8
181.04970	9.9
181.06543	0.9
187.07611	0.9
189.05496	2.5
189.99567	1.1
193.04976	5.9
193.06532	0.6
197.06001	1.7
207.06511	3.9
208.00571	1.5
211.07635	0.8
215.07062	2.0
217.05055	0.5
217.08597	2.3
225.05452	0.9
234.02127	17.1
239.07095	1.7
243.06535	1.6
244.00600	0.7
257.08185	0.7
257.12704	0.4
261.07474	1.1
267.06506	1.0
285.07620	5.8
285.12436	0.7
294.00592	7.3
303.05325	1.6
303.08636	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65236	5.1
57.03436	18.9
58.99893	6.2
61.02917	6.4
63.19277	5.6
69.03423	15.8
70.60601	15.8
71.04980	7.2
73.02898	8.2
74.18462	4.9
76.48859	6.1
81.03409	21.0
81.04548	25.5
82.04857	6.6
85.02913	29.2
86.03686	19.6
87.04459	7.6
97.02917	6.2
97.86731	5.0
101.00914	25.7
102.16673	4.7
103.02458	6.4
109.02886	11.9
113.00887	13.6
115.02487	8.0
119.01919	24.9
122.07144	15.8
123.04428	11.1
123.07507	12.1
127.02435	13.7
127.03902	9.0
129.03983	13.8
131.01904	20.8
133.03418	9.3
140.03433	41.0
140.08202	43.1
141.03825	37.5
141.06627	13.8
141.08569	35.3
143.01929	8.3
145.03445	12.5
151.03949	15.5
153.03880	9.0
153.05782	7.3
157.03479	20.7
159.05080	16.1
168.02664	5.6
169.03526	13.1
171.04982	24.9
173.09372	6.0
175.04568	7.4
181.03496	8.3
181.05281	5.8
183.05022	7.1
187.04532	9.7
189.06055	14.2
190.05901	10.9
197.06541	28.4
199.04529	14.5
206.07141	100.0
206.57228	18.6
215.04041	14.2
215.07664	26.9
217.05618	9.7
235.06674	28.8
239.45436	6.4
243.03519	24.9
253.07793	15.4
261.04605	87.0
276.06970	25.8
277.07376	9.4
285.04373	8.3
303.05573	47.3
303.09045	82.3
303.13672	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63282	1.0
56.96557	3.8
57.03442	1.4
58.99871	3.9
61.02929	1.6
64.22860	1.2
67.05496	1.2
69.03412	2.8
70.20224	3.8
73.38783	1.0
76.00610	1.2
77.00921	3.2
81.03412	2.1
81.04526	6.4
82.04871	2.9
82.99844	1.9
84.08155	2.0
85.02900	4.7
86.03231	1.6
95.06122	1.0
97.01395	1.6
97.02924	1.8
101.00881	9.6
107.03475	3.3
111.02948	4.2
113.00879	2.0
115.02435	3.5
119.01918	9.8
121.01385	1.4
122.02375	1.3
122.07136	3.2
123.02779	2.4
123.07494	2.5
125.04533	2.5
127.03844	1.3
129.03984	13.8
131.01910	5.0
133.03459	1.4
135.02863	1.7
136.99107	1.5
137.04451	1.3
139.02536	2.1
140.03410	21.2
140.07114	1.5
140.08156	9.8
141.03784	21.8
141.08566	9.5
143.01891	1.9
145.03464	4.2
147.05074	2.7
151.03836	1.2
153.03973	6.0
155.05524	5.1
157.03477	2.4
159.05049	3.0
161.02986	3.4
169.03487	11.3
171.05045	26.4
173.03026	1.5
173.06601	6.8
177.06096	3.0
178.82411	1.3
181.03484	8.3
183.04942	1.6
187.04533	7.7
189.06088	20.3
191.07709	2.1
197.02945	6.6
199.04530	12.7
213.06009	1.4
215.04013	14.6
217.05684	2.7
219.02023	2.4
225.02628	3.1
229.05731	1.4
231.07076	1.4
235.06502	1.7
239.03998	1.5
243.03532	22.6
255.03241	1.3
257.05029	7.2
261.04657	100.0
262.04855	2.0
271.20782	1.1
275.06052	1.5
278.25223	1.4
279.05588	5.6
285.04477	12.9
303.02094	2.9
303.05649	53.4
303.09177	4.7
303.13654	17.4
304.05844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.91378	0.2
55.01872	0.2
65.03928	0.6
66.70409	0.2
67.01867	0.4
67.05495	0.4
68.99793	2.2
69.03445	0.3
69.75335	0.5
69.75744	0.4
71.01355	0.2
77.60068	0.1
79.79432	0.2
81.03420	0.8
89.75311	0.1
91.05447	0.2
93.03409	0.7
95.04968	0.9
105.03381	0.3
107.04937	0.3
109.02893	1.1
110.03647	0.2
111.00818	2.1
115.05458	0.2
117.06952	0.4
119.04962	0.2
121.02878	2.5
123.04459	1.1
127.03940	0.3
129.07028	0.2
129.62387	0.2
131.04932	0.4
135.04395	0.6
135.89468	0.1
137.02350	8.5
137.03398	0.5
145.02853	0.3
145.06540	0.8
149.02328	1.2
151.03955	0.4
153.01837	11.0
155.04906	1.2
155.05959	0.2
157.06567	0.2
159.04440	0.4
161.05983	0.7
163.03920	1.6
165.01845	4.4
166.02599	0.6
173.05998	1.6
177.02005	0.2
177.05524	0.2
179.03371	0.3
183.02892	1.4
183.04427	1.0
185.06030	0.3
187.03969	0.9
193.04803	0.2
195.02940	0.4
201.05478	4.5
203.03374	0.2
205.05029	0.6
207.02977	0.4
211.03983	0.3
213.05533	0.3
215.03426	0.2
217.04927	0.2
219.02878	0.3
219.06497	0.4
222.16580	0.1
228.04149	0.7
229.04973	9.7
230.05446	0.2
232.03769	0.3
239.03554	0.2
247.06007	1.6
250.79170	0.2
257.04465	5.4
258.05212	0.2
274.04749	1.5
275.05499	0.3
285.03937	2.6
303.05002	100.0
304.05344	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	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.48719	0.1
53.03944	0.2
55.01867	0.5
55.05499	0.2
59.96527	0.1
65.03926	0.5
67.01871	0.6
67.05497	0.5
68.99441	0.2
68.99790	2.3
69.03435	0.3
69.48765	0.1
69.65472	0.4
69.65885	0.2
77.03936	0.1
79.05475	0.2
81.03405	0.7
81.07049	0.3
91.05472	0.4
93.03401	0.9
93.07048	0.3
93.46014	0.1
95.04977	1.0
95.08596	0.2
97.02884	0.3
97.06545	0.1
103.05469	0.2
105.03398	0.3
105.07012	0.4
107.01276	0.1
107.04982	0.2
107.08604	0.3
109.02888	1.1
109.10162	0.2
110.03667	0.3
111.00813	1.9
115.05445	0.3
117.07059	0.6
119.04940	0.3
119.08526	0.2
121.02882	2.1
121.06512	0.2
121.10187	0.1
123.04442	1.5
127.03912	0.5
131.04909	0.5
133.02907	0.2
133.06451	0.1
133.10144	0.2
135.04428	0.7
137.02351	8.4
137.03413	0.6
137.05995	0.2
139.03896	0.2
145.02859	0.3
145.06519	0.8
145.10118	0.1
147.04395	0.4
149.02328	1.0
149.09654	0.2
151.03918	1.1
153.01837	11.9
154.02173	0.2
155.04919	1.3
155.06001	0.2
157.06508	0.3
159.04417	0.3
159.11713	0.1
161.05991	1.0
163.03903	1.6
165.01852	4.1
165.05565	0.1
166.02586	0.6
167.03413	0.2
173.02298	0.1
173.06006	1.7
173.13155	0.1
177.01828	0.2
177.05490	0.4
179.03371	0.5
183.02890	1.4
183.04446	1.2
184.05098	0.1
187.03925	1.1
191.03424	0.3
195.02901	0.7
195.04407	0.1
201.05476	4.9
203.03314	0.1
205.04958	0.6
207.02826	0.3
211.03929	0.5
213.05489	0.3
215.03435	0.2
215.22491	0.1
217.04964	0.1
219.03058	0.2
219.06621	0.6
228.04231	0.7
229.04968	8.9
230.05441	0.1
232.03635	0.1
233.04391	0.1
239.03560	0.5
243.10106	0.2
245.04614	0.2
246.05104	0.2
247.06059	1.5
257.04465	5.1
258.05075	0.2
259.83218	0.1
274.04718	1.5
275.05481	0.4
285.03970	2.7
285.07193	0.1
285.12064	0.1
285.88083	0.3
286.04688	0.1
303.05002	100.0
304.05316	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	303.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.1
53.03940	0.3
53.40372	0.1
55.01875	0.5
55.05507	0.2
56.96564	0.2
65.03940	0.6
67.01856	0.5
67.05518	0.7
68.99789	2.7
69.03417	0.5
69.07082	0.2
69.65257	0.6
77.03950	0.1
79.05476	0.4
81.03413	0.9
81.06651	0.1
81.07072	0.7
84.08144	0.1
85.02919	0.1
91.05477	0.5
93.03397	0.9
93.07041	0.4
95.01348	0.1
95.04980	1.1
95.08599	0.6
97.02884	0.4
97.06503	0.2
103.05458	0.2
105.03383	0.3
105.07025	0.5
107.04939	0.4
107.08592	0.4
109.02876	1.1
109.06483	0.2
109.10144	0.3
110.03675	0.3
111.00812	2.3
111.04426	0.1
111.08037	0.1
115.05453	0.2
117.07005	0.5
119.04937	0.3
119.08562	0.2
121.02872	2.6
121.06490	0.1
121.10129	0.3
123.04437	2.1
127.03905	0.5
129.07028	0.2
131.04897	0.5
131.08578	0.2
133.02835	0.2
133.10124	0.3
135.04379	0.7
135.07974	0.1
135.11624	0.1
137.02348	8.6
137.03394	0.5
137.05931	0.4
137.09581	0.1
138.02798	0.1
139.03915	0.4
143.04910	0.2
145.02867	0.5
145.06517	0.8
145.10170	0.2
146.06012	0.2
147.04404	0.7
147.11707	0.3
149.02328	1.0
149.05959	0.3
149.09566	0.3
151.03908	2.2
151.07478	0.1
153.01834	11.8
154.02097	0.1
155.04944	1.0
155.06082	0.2
155.08589	0.2
157.06470	0.3
157.10216	0.1
159.04453	0.4
161.06003	0.8
163.03931	1.7
163.07513	0.1
165.01845	3.8
165.05496	0.2
165.06964	0.1
166.02647	0.6
167.03424	0.1
167.27507	0.1
169.06432	0.1
171.02983	0.1
171.04539	0.2
173.06000	1.7
173.13295	0.1
177.01820	0.2
177.05486	0.5
179.03409	0.5
181.04895	0.2
183.02888	1.6
183.04446	1.1
183.08022	0.2
184.05257	0.2
185.05995	0.2
187.03905	1.2
187.14838	0.1
189.05431	0.1
191.03377	0.5
191.07060	0.3
193.04938	0.2
195.02930	0.4
195.98761	0.1
200.04738	0.1
201.05482	4.6
203.03383	0.2
204.04181	0.1
205.04944	0.4
207.02884	0.3
207.06505	0.1
211.03914	0.5
211.07559	0.2
211.14725	0.1
213.05510	0.3
215.03416	0.3
217.04889	0.1
219.02878	0.4
219.06544	0.4
228.04176	0.8
229.04971	10.1
230.05275	0.1
232.03661	0.2
233.04433	0.1
233.07558	0.2
237.08118	0.1
239.03461	0.3
239.07167	0.1
242.87578	0.2
243.02888	0.1
243.06618	0.1
243.09991	0.2
245.04428	0.2
246.05219	0.2
247.05975	1.3
257.04462	4.9
258.04865	0.2
271.09698	0.2
274.04773	1.4
275.05484	0.3
285.03958	2.7
285.07129	0.1
285.11984	0.2
285.22168	0.2
285.88120	0.4
286.04651	0.1
303.05002	100.0
304.05356	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3055
Annotation	Sphinganine
Peak:m/z	Relative Intensity
55.05503	0.3
57.07078	8.0
58.06583	0.5
58.34693	0.1
61.26620	0.1
62.06079	0.6
68.05026	0.3
70.06596	13.3
71.08637	3.4
71.17001	0.3
74.06106	0.2
85.10186	1.4
86.06053	0.2
88.07635	17.8
102.09180	5.0
106.08672	9.4
151.85768	0.1
240.26991	0.4
258.27853	0.8
259.04770	0.2
284.29474	7.1
302.30536	100.0
303.30859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.9
61.02922	1.0
61.78538	1.2
71.14984	2.0
81.03384	1.6
85.02959	1.1
91.17389	1.3
95.01328	1.4
97.02893	1.1
98.16370	1.0
101.00901	6.9
102.00980	2.0
103.02493	1.1
115.02371	1.2
119.01929	10.2
121.01613	1.1
131.01947	2.7
134.99957	1.1
136.99113	5.1
143.01877	2.3
145.03455	1.4
146.03636	1.0
155.00162	6.8
155.01854	1.2
157.03448	2.1
158.99922	4.0
161.02986	3.1
164.68388	1.1
171.01437	2.0
172.01570	1.4
173.01266	3.3
177.00972	14.2
180.98038	2.9
186.99165	2.1
189.02478	1.4
190.02591	2.2
196.95459	1.2
198.99185	2.0
201.00945	4.1
202.01050	1.3
203.00711	3.2
214.96553	9.3
217.04085	2.6
219.02034	21.1
220.02101	1.5
221.01865	5.4
225.00833	2.8
226.99562	1.3
238.95862	3.8
240.48198	1.2
243.01996	13.0
249.01106	1.5
252.99416	1.5
256.97598	39.3
261.03085	100.0
261.97134	1.9
262.03198	4.6
274.97696	1.3
277.47711	1.2
279.00201	2.0
279.51379	1.1
279.98837	10.5
280.97910	1.4
284.04816	1.2
298.98654	12.8
303.05591	1.8
303.09479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.03462	2.0
54.38914	0.4
55.01868	0.4
57.03439	1.0
61.02926	1.1
67.98963	0.4
69.03427	3.7
69.16512	0.4
70.34590	1.2
70.34944	0.7
73.02924	1.5
81.03476	1.0
81.04545	42.8
84.08147	6.0
85.02906	4.2
87.04458	1.0
91.63920	0.4
95.23800	0.4
97.02897	2.0
101.00876	0.7
109.02905	0.5
110.07127	1.1
115.02428	0.4
115.03934	0.4
122.07160	30.7
124.08731	0.7
127.03941	1.4
127.16503	0.4
130.08621	0.4
140.03458	3.3
140.08192	100.0
141.08540	0.7
145.04897	0.4
156.05089	0.4
167.65376	0.4
168.05080	1.5
170.06645	2.5
173.02962	0.6
179.11859	0.5
184.08141	0.6
186.06088	2.4
188.07681	2.9
194.06668	0.4
200.07704	1.8
202.09239	2.4
204.07205	0.5
206.08742	1.1
212.07645	3.7
214.09283	0.5
220.10318	3.2
230.08736	2.1
242.08778	1.7
248.09807	0.4
260.09827	2.8
270.14349	0.6
302.13480	76.6
303.13651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.03473	1.1
55.01866	0.4
57.03448	1.5
61.02924	1.7
61.61003	0.3
69.03436	5.2
69.30556	2.2
70.06594	0.5
71.01350	0.3
71.04987	0.7
73.02925	1.3
78.03472	0.3
81.03504	1.8
81.04545	42.5
81.84728	0.3
82.06576	0.7
82.16750	0.3
84.08145	1.1
85.02912	6.9
87.04472	1.0
91.03976	0.6
95.06074	0.4
97.02892	2.8
97.06549	0.3
99.04450	0.5
100.07629	1.0
101.00890	0.4
102.06106	0.2
107.03409	0.3
109.02917	0.8
110.07176	1.7
113.00922	0.4
115.03996	0.3
118.03581	0.3
119.01941	0.9
122.02406	2.0
122.07159	30.5
124.08719	0.8
127.03901	1.5
128.07079	0.4
131.01900	0.7
134.06052	0.5
140.03439	24.5
140.08192	100.0
141.08527	0.6
143.01894	0.6
145.03500	0.4
145.04961	0.5
152.07072	1.5
153.04082	0.3
155.05478	0.4
157.03482	0.4
164.07072	0.4
168.05141	0.4
171.05106	0.4
179.11862	0.3
181.03540	0.3
182.09293	0.4
183.04999	0.4
186.06143	1.3
188.07800	0.4
189.06165	0.4
195.06235	0.4
197.06598	0.7
199.04488	0.5
202.09193	0.3
204.07225	0.7
206.07147	1.2
212.07498	0.8
212.10298	0.3
215.07553	0.4
220.10201	0.4
230.08818	0.4
235.06808	0.3
240.07231	0.8
247.03017	0.4
261.04599	1.5
270.14264	0.6
273.09137	0.9
276.06900	0.5
284.06271	0.7
299.34164	0.3
302.06152	2.2
302.13486	78.6
303.05630	0.9
303.09183	0.6
303.13821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.7
61.02923	9.4
65.39647	5.3
67.05516	14.6
69.03428	17.4
70.06592	7.8
70.55934	6.4
70.56277	15.4
72.08182	6.2
79.05492	6.5
81.03413	12.3
81.07087	9.9
85.02912	97.1
86.09663	5.2
91.05496	7.3
95.04960	7.5
97.02899	43.3
99.04469	5.7
108.08138	10.8
109.02892	16.4
112.07626	6.8
122.06059	11.3
123.04430	14.4
125.06022	9.5
126.05550	6.1
126.09197	7.1
127.03922	24.3
136.07593	20.8
137.06000	7.1
139.03926	18.1
140.03413	33.2
140.07098	54.6
145.05009	12.0
151.03914	8.4
152.07048	26.7
154.08681	8.7
160.05017	6.3
161.05994	6.5
164.07059	23.6
178.08672	18.6
182.08139	100.0
185.52525	5.7
206.08127	49.6
248.09174	7.6
257.04507	14.1
302.11295	8.5
303.04965	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01866	1.4
56.04996	1.3
57.03436	4.2
58.88941	1.1
61.02926	1.8
65.03957	2.0
67.05511	37.6
68.58801	1.1
69.03436	16.9
69.07078	11.4
69.60765	3.4
69.61176	4.3
73.73420	1.2
76.11967	1.1
81.03427	7.0
82.81780	1.1
84.04485	1.4
84.08153	3.4
84.17774	1.0
85.02908	45.1
86.09700	2.1
91.05505	1.5
95.04977	52.8
96.08117	1.4
97.02897	36.8
98.21478	2.6
99.04446	1.6
103.03955	3.4
109.02874	9.0
109.68401	1.3
112.07613	38.4
113.06042	3.8
122.06058	2.2
123.04434	2.7
124.07594	4.2
127.03939	7.4
136.07602	1.9
139.03995	1.5
140.03430	12.1
140.07076	100.0
145.04935	4.2
145.06239	1.3
147.04430	1.4
151.03868	2.0
152.07144	1.5
154.08601	6.9
158.97295	1.2
178.08685	3.3
182.08139	63.5
206.08148	14.3
207.37552	1.3
236.09209	2.2
248.09207	11.2
263.29465	1.3
302.12259	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0872
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
50.46101	0.3
53.03947	0.6
55.01862	0.4
57.03431	0.5
60.29634	0.3
61.02935	1.6
69.03427	3.1
69.85371	1.1
71.04998	0.3
73.02894	0.3
78.03447	1.2
81.03424	1.6
85.02912	8.6
87.04469	0.4
91.03969	0.6
94.02938	0.3
97.02895	2.4
98.20786	0.4
99.04460	0.8
105.50535	0.3
109.02887	0.6
122.02396	11.1
127.03938	1.5
140.03433	100.0
140.08226	0.8
141.03821	0.6
145.04964	1.3
185.27217	0.3
195.40601	0.3
222.73901	0.3
302.08771	1.8
302.13223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71517	0.3
53.03945	0.8
54.03451	0.4
55.01868	0.8
55.29989	0.3
57.03442	1.9
58.01472	0.3
61.02924	3.2
62.89317	0.3
63.81645	0.3
67.95741	0.3
69.03434	5.7
69.81774	1.5
70.06573	0.5
71.04988	1.1
73.02920	1.2
78.03454	0.8
81.03447	2.1
81.04543	12.2
82.06585	0.7
83.01337	0.3
84.08147	0.9
85.02907	11.1
86.03678	0.5
86.06095	0.3
87.04459	0.6
91.03955	0.7
94.02931	0.5
97.02900	3.7
98.20799	0.5
99.04456	0.8
100.07613	0.4
101.00895	1.1
109.02887	1.5
113.00865	0.7
115.02477	0.5
119.01921	1.0
122.02395	9.7
122.07159	8.4
127.03944	2.2
128.04256	0.3
129.04048	0.3
131.01869	0.7
131.05554	1.1
133.03502	0.7
134.06059	0.6
137.05948	0.4
139.02341	0.3
140.03432	100.0
140.08191	29.3
141.03781	0.4
143.01895	0.4
145.03462	0.7
145.04950	1.7
151.04031	0.4
152.07074	1.0
155.01884	0.5
157.03413	0.4
158.06656	0.7
159.04980	0.5
160.04689	0.3
173.02980	0.6
174.04326	0.3
186.06168	0.7
188.07713	0.7
190.05652	0.4
192.05499	0.4
197.06602	0.3
202.09189	2.5
205.04495	0.6
206.07166	1.4
210.54095	0.3
212.07529	1.0
215.00328	0.6
215.07770	0.5
220.08276	0.3
220.10283	1.1
230.08704	0.5
235.06621	0.5
240.07118	0.5
242.08743	0.6
247.02963	0.6
250.20898	0.3
260.09818	3.6
276.06766	0.3
279.09171	0.4
302.08624	1.5
302.13480	21.3
303.09177	0.7
321.47339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18433	22.6
70.43878	79.5
77.39556	21.3
82.06553	25.1
87.68867	21.9
89.54517	21.7
91.22936	22.0
100.02509	26.1
100.07631	45.9
105.97134	20.4
114.27615	22.8
124.98681	21.9
129.05110	39.6
142.03526	25.3
150.49574	22.3
151.93639	29.5
152.06987	46.6
186.06027	31.1
195.06174	59.8
212.08917	50.8
219.11418	26.4
240.07182	24.8
256.07739	25.8
284.07092	31.2
300.14514	22.5
302.02676	100.0
302.08301	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
51.02008	2.4
51.26828	2.7
51.99549	2.8
53.03941	8.0
53.11590	2.6
55.01875	9.8
55.05514	34.8
57.03438	14.4
57.07077	5.0
58.42006	2.5
59.04994	3.3
67.05507	58.4
69.03444	5.6
69.07059	27.5
70.35751	2.5
71.05000	20.3
71.65572	2.4
79.05064	4.1
79.05499	44.1
81.03410	7.6
81.07059	64.4
83.04986	12.5
83.08620	15.0
83.99860	2.5
85.02915	6.8
85.06522	4.8
87.04515	2.5
91.05485	49.7
93.07050	84.9
95.04968	12.2
95.08611	45.5
97.02900	4.4
97.06535	7.4
97.10177	10.2
105.07040	57.9
107.04967	11.9
107.07880	4.9
107.08604	97.6
109.06518	12.4
109.10162	39.7
111.04451	10.1
111.08118	2.9
115.05496	4.4
116.08234	2.4
117.07030	15.6
119.04975	5.4
119.08580	43.3
121.06528	7.6
121.10142	40.8
123.08062	9.0
123.11722	22.3
125.05988	5.2
125.09653	12.3
129.07021	8.8
131.08559	16.5
133.10149	42.1
135.04445	5.8
135.08096	7.9
135.11702	100.0
137.06049	3.1
137.09642	6.9
137.13235	3.5
139.03914	3.5
139.07521	3.1
142.07831	5.0
143.08578	12.2
145.10144	25.0
147.08072	4.2
147.11642	15.7
149.05946	2.7
149.09618	5.5
149.13258	12.7
151.03938	9.0
153.07027	5.1
153.12782	4.3
155.08600	4.3
156.09418	5.0
157.10147	11.2
157.20906	3.4
159.11684	14.2
161.09677	6.9
161.13304	6.8
163.03857	2.7
163.11189	36.0
165.07004	6.3
165.09073	3.9
171.11720	9.8
173.09692	9.0
173.13222	8.1
175.14816	2.8
177.09251	3.3
181.06493	9.9
181.12224	5.7
181.59369	2.7
182.07410	3.6
183.11737	4.0
185.09598	3.8
185.13298	6.9
187.11215	3.7
187.14871	7.2
191.10675	8.5
191.14339	6.1
197.13319	4.4
198.06824	3.0
199.14841	7.5
201.16385	5.9
205.05034	3.0
205.12241	3.6
208.05202	3.2
209.11745	12.3
213.16397	5.4
215.14372	4.8
217.12218	2.8
219.13792	3.8
226.06252	5.9
227.14493	6.2
231.13765	2.8
241.08554	6.8
241.15923	6.1
241.19537	6.7
245.15625	4.3
247.08546	2.7
255.21104	6.2
258.08878	3.4
259.16937	4.4
273.11139	3.2
273.14865	2.9
283.20575	11.9
301.07364	9.0
301.10715	34.4
301.13770	7.2
301.16928	17.9
301.21671	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
55.01873	26.6
55.05514	29.9
55.51894	3.2
56.24335	2.8
57.03439	47.6
57.03885	3.3
57.07076	4.4
65.03942	6.6
67.05506	95.6
69.03429	7.6
69.07078	20.0
71.04995	7.5
71.14823	3.8
71.15168	5.6
74.40255	2.9
77.03913	2.9
77.05686	2.9
79.05499	100.0
81.03410	17.0
81.07057	76.8
83.04986	46.9
83.08618	9.3
85.02892	8.9
85.06533	10.5
91.05484	62.0
93.03410	5.4
93.07048	93.7
95.04971	32.3
95.08604	41.8
97.02904	3.1
97.06533	32.3
99.04443	8.0
103.05486	6.1
105.07037	35.2
107.04958	71.6
107.08604	51.7
109.06524	11.1
109.10146	18.3
111.04443	62.9
111.08092	14.3
115.05476	3.2
117.07019	32.0
119.08601	38.7
121.06522	16.6
121.10151	80.8
123.04447	7.9
123.08057	12.1
125.06011	10.6
125.09644	3.8
129.06985	10.0
130.07819	4.7
131.04913	11.6
131.08565	30.6
133.06531	3.7
133.10149	10.0
135.04449	7.8
135.08055	4.1
135.11697	73.0
137.05949	4.2
137.09543	3.0
139.03888	15.8
139.07591	3.2
139.11168	3.6
143.08595	6.7
145.06488	12.0
145.10141	89.7
147.08028	8.7
147.11674	8.1
149.06012	4.5
149.09615	24.1
151.03891	5.6
153.07054	5.5
153.12740	28.7
155.08592	15.9
157.10072	3.7
159.11674	7.0
161.09613	3.2
163.11195	98.9
165.06979	4.1
165.09203	3.8
171.11743	4.5
173.09647	59.2
177.05469	3.8
177.33359	2.9
181.06538	4.3
181.12233	50.6
191.10674	65.4
199.14851	6.5
201.24054	3.3
209.11719	33.2
209.13382	3.7
214.12286	5.4
227.12802	22.6
228.10268	3.8
241.08571	3.6
258.05215	9.5
258.11331	3.3
265.14236	5.2
270.10117	3.6
272.07874	11.9
283.05911	12.5
283.10709	10.9
283.15274	17.6
286.04752	10.8
301.03540	7.5
301.07056	41.8
301.11493	29.4
301.16486	94.6
301.21561	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.6
55.01869	7.7
55.05493	4.7
57.03445	13.2
65.03935	3.1
67.05508	28.1
69.03423	3.2
69.07059	6.5
70.06593	2.1
70.86017	4.7
71.04984	5.6
77.03945	1.4
79.05498	39.5
79.95879	1.4
81.03384	2.7
81.07055	20.0
83.04969	9.9
84.93593	1.6
85.02913	2.8
85.06538	4.4
91.05487	21.4
93.07047	29.1
95.04962	11.8
95.08615	7.5
97.06538	10.1
98.78547	1.4
99.04470	1.7
101.59494	2.0
103.03888	1.6
105.03419	1.6
105.07020	12.9
107.04957	38.3
107.08595	16.1
109.06503	2.5
109.10133	4.2
111.04440	5.4
115.05442	1.8
117.06998	9.4
119.04964	1.7
119.08603	12.1
120.08173	1.8
121.06483	4.8
121.10150	25.3
123.04424	4.5
123.08037	3.7
125.05981	2.6
129.07008	2.7
130.07767	3.0
131.04932	3.5
131.08577	11.2
133.10081	2.5
135.04401	5.9
135.08057	2.4
135.11711	16.4
136.94618	1.7
137.05925	1.9
139.03906	19.2
143.08479	2.2
145.06496	6.4
145.10126	32.7
147.08040	3.0
147.11679	3.3
149.09615	7.1
151.03928	4.9
153.06969	3.0
153.12747	2.8
155.08551	5.5
163.03954	6.0
163.11183	21.8
166.92195	2.5
173.09613	19.6
181.06418	3.2
181.12186	3.1
188.88301	2.1
191.10680	30.8
204.90108	16.8
209.11723	5.8
212.88304	10.9
213.05507	1.9
227.12711	4.9
239.98645	1.5
240.87558	49.9
241.88132	1.6
247.90681	26.4
255.06766	2.1
255.11234	6.3
256.18365	1.7
257.90292	1.9
259.10892	3.5
265.14297	4.8
265.87387	2.4
265.91687	1.9
283.06024	4.8
283.15475	9.1
283.88336	100.0
284.88754	2.5
300.91003	67.5
301.03766	1.8
301.06982	8.0
301.10699	8.5
301.16501	24.0
301.21664	7.3
318.91870	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.01576	0.3
53.03910	0.3
55.01828	1.0
55.05461	2.2
57.03381	2.2
64.77369	0.3
65.03915	0.4
67.05510	4.4
68.99755	0.4
69.03378	0.9
69.07073	2.3
70.40545	0.3
71.04992	1.7
79.05499	4.3
81.03394	0.7
81.07064	4.0
83.04930	1.2
83.08541	0.9
85.02871	0.7
85.06487	0.5
88.07610	0.3
89.03816	0.3
91.05484	4.0
93.07047	3.6
95.04910	0.8
95.08611	2.2
97.02849	0.5
97.06535	4.4
97.10143	0.5
98.60954	0.3
98.97510	0.4
99.04407	0.3
104.10649	0.3
105.03339	0.4
105.07035	2.6
107.04896	1.0
107.08607	2.3
109.06456	0.9
109.10177	1.6
111.04415	0.7
111.08054	0.4
117.06960	0.6
119.04870	0.6
119.08597	1.5
120.42977	0.3
121.06433	1.3
121.10152	2.2
123.04367	0.7
123.08017	0.5
123.11670	0.5
125.09549	1.0
129.05463	0.6
129.06978	0.5
131.04826	0.4
131.08591	1.9
133.06476	0.7
133.10155	1.6
134.03636	0.5
135.04375	0.6
135.08029	0.9
135.11697	1.9
137.05948	0.6
139.03908	1.5
141.06963	0.7
142.07742	0.3
143.08484	0.5
144.05646	0.4
145.06458	0.3
145.10109	2.2
147.04355	0.3
147.08034	0.6
149.05914	1.0
149.09537	0.6
149.13260	0.5
151.03902	1.5
152.06171	0.7
153.01765	1.4
153.06993	2.3
153.12701	0.5
155.08527	0.4
157.06459	0.5
157.10098	0.7
159.07993	1.2
159.11639	1.2
161.09563	0.4
163.03902	0.7
163.11130	1.4
165.06966	1.2
165.09114	0.4
169.06482	0.8
170.07237	0.4
171.11748	0.4
173.09578	0.7
175.03822	0.3
175.07507	0.9
176.04720	0.5
177.05431	0.9
181.05032	0.6
181.06477	2.5
181.12190	0.8
182.07231	0.5
183.04300	0.4
183.08131	0.5
185.05981	0.4
187.07587	2.0
187.13268	0.4
191.10689	0.9
195.07999	0.6
196.05083	0.5
197.05991	0.8
198.06816	1.5
199.07410	0.4
201.09097	1.7
203.07037	1.2
204.07854	0.4
205.04932	0.5
205.08607	2.4
209.06038	0.8
209.11748	0.7
211.07556	0.8
213.05400	0.7
213.09103	0.9
215.06964	0.5
217.04823	0.4
226.06229	1.3
227.06863	0.3
227.12787	0.8
229.04933	2.1
229.07324	0.8
231.10173	0.4
241.04918	0.4
241.08606	1.9
242.09381	0.5
243.06493	0.4
245.13829	0.5
251.07037	0.6
257.04608	0.6
257.11731	0.9
258.05258	40.5
259.05804	0.8
259.09592	1.6
269.08109	0.5
269.17389	0.5
273.11246	0.5
283.20541	0.5
286.04736	55.9
287.05200	1.0
301.07117	100.0
301.10611	9.8
301.14340	5.9
301.21350	1.6
302.07339	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	301.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02111	1.3
57.03420	2.0
58.99866	11.6
61.02911	2.7
61.15829	1.1
61.62020	1.3
68.98303	1.4
69.03419	5.7
70.99862	9.9
71.04988	1.2
71.50044	1.8
73.01408	3.6
77.00894	8.2
81.03416	3.5
84.08136	2.8
85.02902	7.7
86.24152	1.2
86.99315	2.7
89.00873	4.1
91.02443	6.8
97.02881	2.5
99.04496	1.2
100.07599	2.4
101.00888	10.3
103.02415	3.1
105.00387	1.4
108.97757	2.6
110.06049	1.2
113.00858	3.2
113.02363	1.5
115.02433	4.3
117.03978	2.4
118.03464	1.8
119.01929	18.1
125.62148	1.2
126.98789	35.1
127.02412	4.1
127.03860	1.7
129.03958	4.0
131.01889	11.0
131.05518	1.8
133.03477	6.3
137.02982	2.7
139.02316	2.3
140.03461	16.3
140.08156	1.3
141.03955	2.1
143.01860	3.0
144.04860	1.5
144.99832	100.0
145.03481	35.1
145.04617	1.5
147.01367	3.9
147.04979	4.0
149.02924	3.2
149.06538	2.5
151.02388	1.9
154.98244	5.1
155.01872	5.4
157.03441	3.8
158.03658	1.5
159.01366	5.0
159.05045	4.5
161.02888	3.3
163.00896	11.7
163.04536	18.4
167.01990	1.4
168.99802	1.7
169.03484	7.2
171.01349	6.0
171.04984	3.1
172.99330	56.5
173.02834	9.5
173.04207	2.4
175.00800	2.1
175.04478	4.5
177.02475	25.0
177.05995	2.3
185.02946	7.7
186.06102	1.6
187.00912	8.9
187.02821	1.8
187.04459	10.6
187.06100	2.0
189.02432	5.6
191.00388	33.4
191.03983	37.3
191.05266	1.5
195.03439	1.8
196.04053	1.6
198.98428	2.1
199.00853	3.4
199.04510	4.7
201.02455	1.5
203.04019	7.1
205.01952	38.9
205.05568	3.8
205.07330	1.7
207.03558	1.8
209.05069	9.5
211.04471	3.6
213.02466	10.3
215.04005	3.8
217.01933	3.6
217.05617	3.4
223.00836	2.1
223.02962	19.1
227.03958	5.9
229.05573	3.3
231.03522	10.4
233.05168	2.9
235.06635	1.6
239.04077	1.7
241.01910	66.2
245.05078	5.6
255.03342	2.3
259.03027	39.9
260.03174	1.5
269.01373	33.6
273.04614	7.3
277.03952	3.1
283.02994	1.8
286.99469	1.8
287.02496	33.8
300.97318	1.5
301.04028	44.3
301.09531	4.0
301.14056	2.4
302.13428	1.7
319.05072	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	300.1809
Annotation	Intermedine
Peak:m/z	Relative Intensity
53.03934	3.0
55.01864	4.1
55.05511	10.7
57.03442	4.2
63.48668	1.8
67.05514	24.6
69.03421	3.0
69.07081	12.5
70.06591	5.5
70.23454	1.9
71.04987	4.4
71.51455	3.6
73.02960	2.1
78.45687	2.0
79.05496	20.8
80.58940	2.4
81.03401	2.0
81.07062	80.8
83.04982	6.5
83.08623	6.3
85.06538	3.2
88.79826	2.1
90.05561	100.0
91.05490	18.2
92.05798	2.0
93.07051	17.4
95.04956	4.4
95.08603	16.3
97.06554	9.6
97.10127	2.5
99.08055	2.3
100.82468	2.1
104.10760	4.4
105.07040	37.1
107.04983	2.6
107.08586	13.9
109.02839	2.4
109.06523	3.9
109.10162	5.3
109.48766	2.2
119.08595	24.9
121.06483	4.3
121.10164	22.9
123.04495	2.5
123.08054	4.0
123.11720	23.4
127.07539	2.7
138.05470	5.8
139.03981	2.2
145.10095	4.1
147.11694	53.7
151.03862	3.5
157.10091	2.5
165.12788	27.9
173.13278	2.5
183.13864	2.8
187.07579	3.6
193.12131	1.9
205.08578	3.5
210.14909	2.7
219.13832	5.5
229.14394	10.4
236.16470	37.8
254.14798	3.1
254.17522	64.9
264.26852	8.8
282.17093	20.4
282.27887	15.7
289.91183	2.9
300.09531	10.5
300.15942	3.1
300.20139	5.1
300.25665	2.9
300.28946	50.5
301.07071	2.8
301.10754	4.1
301.14340	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	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.00298	1.8
53.03936	3.3
55.01869	3.3
55.05515	13.3
57.03428	6.2
57.07063	3.7
59.04985	1.8
65.03928	2.0
67.05515	14.1
69.03416	9.6
69.07055	7.0
71.01354	2.3
71.04997	2.5
79.05499	12.2
81.03423	3.6
81.07056	18.9
83.04962	3.3
83.08620	10.6
85.06521	2.1
91.05486	25.0
93.07047	21.0
95.04972	34.2
95.08614	12.9
97.06525	5.5
97.98251	1.3
98.21500	4.1
99.00812	7.8
103.05466	2.2
105.07039	28.3
107.04951	2.2
107.08601	24.3
109.02887	2.3
109.06522	18.6
109.10173	14.8
111.04402	2.2
111.08070	2.3
113.09630	1.6
115.05450	2.8
117.07019	9.9
119.04937	1.6
119.08594	48.4
121.06528	9.8
121.10143	14.9
123.04446	2.0
123.08059	4.4
123.11695	2.3
128.06229	4.9
129.06972	4.8
130.07777	5.2
131.08591	15.4
133.10133	26.8
135.08054	18.5
135.11710	6.8
137.09608	6.5
141.07019	3.3
142.07794	5.6
143.08565	16.3
144.09389	1.8
145.06476	2.9
145.10133	40.8
147.08044	3.0
147.11688	5.2
149.09621	3.2
151.11183	6.6
153.06923	1.8
155.08542	6.2
155.10703	1.9
156.09348	6.6
157.10146	16.7
158.07286	4.1
158.10887	2.4
159.08031	4.6
159.11710	13.5
161.09618	13.9
161.13271	2.4
163.11185	5.1
167.08540	3.4
168.09351	2.6
169.10121	7.9
170.10930	3.4
171.08141	2.5
171.11711	14.5
173.09669	12.6
173.13303	9.7
175.11189	3.8
177.09114	3.2
179.10680	5.5
181.10037	3.0
182.10904	2.7
183.11702	9.8
184.12425	3.3
185.09659	3.8
185.13246	7.6
187.11211	4.8
187.14835	4.3
189.09108	5.7
189.12764	5.0
191.10620	2.1
192.09303	2.1
193.10150	4.0
195.11728	3.8
197.09554	2.7
197.11647	3.0
197.13297	14.7
199.11168	6.4
199.14803	10.5
201.12767	5.0
207.11774	2.8
208.12422	2.2
209.13318	2.5
210.10431	3.0
211.11172	5.2
211.14827	4.4
213.12776	4.4
213.16454	2.4
215.14383	5.2
217.15892	3.5
221.13249	3.1
223.14774	9.7
225.10986	3.4
225.13118	7.1
225.16284	2.2
229.80179	1.6
233.13229	2.0
239.14371	3.9
239.17976	3.5
241.15887	10.0
243.13815	6.1
248.15666	1.6
253.19563	11.0
257.19110	8.0
260.13382	1.8
263.18015	2.8
269.15390	2.3
281.19031	14.4
299.09320	1.9
299.15103	11.5
299.20071	100.0
300.20636	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.40311	0.8
53.03942	1.2
55.01852	1.2
55.05515	5.7
57.03444	4.1
57.07063	0.8
65.03898	1.2
67.05184	0.7
67.05510	11.1
69.03416	2.1
69.07079	4.4
71.04995	1.0
71.51085	1.2
72.01083	0.7
73.81821	0.7
79.05500	9.3
81.03414	1.9
81.06605	0.9
81.07066	17.1
83.04987	4.9
83.08629	3.9
85.06525	1.6
85.38511	0.7
91.05486	33.6
93.07050	10.3
95.04958	3.1
95.08604	9.7
97.06531	1.4
97.10175	1.4
99.08102	0.8
103.05504	0.9
103.71761	0.7
105.07040	24.4
107.04948	1.7
107.08603	10.0
109.06505	2.2
109.10168	4.3
111.04449	1.7
111.08089	1.7
115.05466	2.6
116.06248	7.4
117.07015	3.4
119.04951	8.8
119.08591	19.5
121.06498	1.7
121.10139	8.9
123.08073	2.9
123.11726	3.3
125.05993	0.7
125.09637	4.0
127.03934	0.9
128.06229	2.8
129.07018	9.4
130.07828	1.0
131.08575	40.9
133.10153	7.1
135.08047	2.4
135.11713	0.9
137.09637	1.1
141.07022	0.8
142.07787	2.8
143.06032	0.7
143.08531	4.8
144.64575	0.7
145.06439	1.3
145.10124	4.6
147.08075	1.4
147.11697	10.7
149.09639	3.2
151.11192	0.9
153.01839	5.7
153.09119	0.9
155.08574	2.8
156.09358	2.3
157.10143	6.8
159.08067	100.0
159.11714	2.3
161.09630	3.2
161.13249	2.7
163.11221	0.9
165.06999	0.9
165.12793	5.9
167.08501	1.3
167.10652	0.8
169.10156	3.0
171.11746	4.8
173.09680	1.2
173.13242	1.1
175.11201	2.8
181.10095	1.1
182.11012	0.8
183.11729	3.2
185.09599	1.5
185.13231	1.6
187.11278	1.5
189.12753	4.1
192.09360	0.9
193.10150	1.5
193.12315	1.2
195.11707	1.1
197.09703	0.9
197.13300	6.0
197.15182	1.1
199.11166	5.6
199.14803	1.8
201.09018	1.1
201.12761	2.7
206.10938	1.9
207.10106	1.1
207.11838	1.7
208.12512	1.0
209.13242	1.1
210.10408	0.8
211.11174	0.9
211.14861	1.8
213.12778	1.9
215.14380	1.8
221.13280	2.8
223.14804	1.6
225.13016	4.1
239.14352	2.1
239.17946	1.0
243.13881	2.5
253.19690	1.7
257.19067	2.9
263.17999	3.7
281.19040	21.8
299.05862	1.0
299.09207	1.7
299.15332	3.5
299.20123	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
53.03931	1.1
55.05516	3.7
57.03427	1.8
57.07058	1.4
62.77608	0.7
65.03956	1.0
67.05508	5.8
69.03436	1.5
69.07054	3.2
70.67229	2.1
71.04988	0.9
75.69525	0.9
77.92619	0.8
79.05491	6.4
81.07067	8.4
83.04970	2.6
83.08616	2.5
85.06507	0.9
91.05485	30.8
93.07049	9.2
93.19245	0.8
93.53728	0.7
95.04964	1.7
95.08629	7.7
97.06514	1.7
103.05470	1.5
105.07035	19.7
107.04932	1.0
107.08611	8.4
109.02863	0.9
109.06514	2.5
109.10136	2.9
111.08091	1.3
113.78043	0.7
114.68470	0.7
115.05449	2.7
116.06236	7.6
117.06991	2.6
119.04971	7.3
119.08584	16.8
121.06510	2.6
121.10146	9.0
123.08063	2.2
123.11678	1.2
125.09627	3.5
128.06140	1.0
129.07005	9.7
131.08574	45.4
133.06517	1.3
133.10135	5.3
133.75005	0.8
135.08051	2.3
135.11664	1.3
141.06969	1.3
142.07753	2.8
143.08548	4.9
145.06461	1.4
145.10118	4.2
147.08032	1.4
147.11705	1.8
149.09604	5.1
153.01872	1.4
155.08524	2.2
156.09354	3.4
157.10120	4.6
159.08064	100.0
159.11673	3.4
160.31761	0.8
161.05991	2.6
161.09627	3.4
161.13263	2.1
166.07600	0.8
169.10135	2.4
170.10832	1.2
171.08156	1.0
171.11722	6.5
173.05899	1.3
173.09607	2.0
175.11198	1.1
180.09351	0.9
181.10165	1.6
182.10938	1.8
183.08093	0.8
183.11679	2.5
185.09599	1.0
185.13214	1.2
187.11133	2.5
189.09062	1.4
189.12816	4.3
192.09384	1.5
193.10150	2.1
195.11644	1.5
197.05959	0.8
197.09648	0.9
197.13219	5.5
199.11174	6.4
199.14870	1.8
201.09169	1.1
201.12769	3.5
206.10907	1.6
207.11742	2.9
208.12544	0.9
209.13242	1.2
211.11134	1.8
211.14745	1.0
213.12737	1.8
215.14352	1.4
221.13240	2.1
223.14842	2.5
225.09180	1.5
225.12730	3.4
225.16449	1.1
233.13400	1.5
237.16223	1.1
239.14375	2.3
243.13860	1.2
251.14154	0.8
253.19530	1.5
257.18939	2.2
263.17960	3.6
271.80197	0.9
273.07794	0.9
281.15677	1.1
281.19034	20.8
284.06705	1.1
288.26151	0.8
299.09161	3.8
299.16708	2.1
299.20038	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50577	4.6
53.03945	10.7
54.66278	3.8
55.01875	12.5
55.05520	40.1
57.03446	27.6
57.07088	5.4
59.05006	5.0
65.03931	6.7
67.05505	78.7
69.03432	11.5
69.07073	21.3
69.31409	36.3
71.01344	9.8
71.05013	7.1
71.68979	4.7
79.05495	100.0
81.03414	16.6
81.07065	68.6
83.04971	23.2
83.08626	11.1
88.12583	4.3
91.05486	77.8
93.07047	83.8
95.04971	28.2
95.08603	40.0
97.02914	8.4
97.06532	13.6
97.10156	9.2
105.07034	89.1
107.04971	11.0
107.08620	34.1
109.02870	5.3
109.06503	10.4
109.10170	27.8
111.04440	5.7
115.05517	5.1
117.07030	19.0
119.08570	46.3
121.06518	17.9
121.10159	6.9
123.04503	7.0
123.08067	6.0
124.66924	5.1
128.06247	10.2
129.06979	27.0
131.08583	22.1
133.06548	7.0
133.10149	42.2
135.08054	12.4
135.11705	6.2
136.06212	4.3
137.02422	9.6
137.05994	15.2
137.09625	7.2
141.06967	6.1
143.08566	16.6
145.06601	4.9
145.10139	22.5
147.04355	4.6
147.08025	7.8
147.11691	48.0
151.03900	5.2
151.11183	10.1
153.01843	27.0
153.02888	4.8
153.06967	4.8
155.08650	5.0
156.09447	5.0
157.10165	12.6
159.11711	11.1
161.09613	16.5
161.13293	15.5
163.11287	7.1
165.06958	5.0
171.08084	7.0
171.11697	25.6
189.09128	6.1
189.12764	13.3
197.05974	5.1
207.13849	19.2
211.07564	5.3
225.11102	8.5
239.07018	7.0
256.07300	11.7
271.09671	5.1
281.17392	43.4
284.06796	5.5
299.05731	15.4
299.09171	52.2
299.12515	10.7
299.15302	8.0
299.16830	6.8
299.19678	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67890	1.7
53.00314	19.7
53.03940	5.3
55.01874	10.6
55.05516	57.8
55.05785	3.3
57.03443	38.2
57.07073	3.4
59.04989	8.6
67.05509	36.6
69.03416	7.4
69.07059	6.0
69.81837	3.6
69.82252	6.7
71.01349	10.6
71.04962	3.8
73.02920	1.9
79.05499	29.3
81.03432	16.3
81.07061	51.2
83.04971	7.2
83.08621	35.1
85.02872	1.8
85.06525	4.8
91.05489	59.9
93.06487	2.6
93.07053	40.9
95.04977	9.7
95.08607	13.3
96.93140	1.8
97.02908	14.7
97.06528	8.6
97.10159	3.6
99.00820	69.1
99.04430	3.4
103.05466	5.1
105.04546	1.8
105.07037	43.6
107.04970	15.3
107.08592	21.3
108.87122	1.6
109.02898	29.6
109.06519	6.7
109.10149	19.7
111.04430	5.1
111.08100	11.4
115.03971	9.3
117.07043	8.7
117.52958	1.9
119.07929	2.0
119.08595	22.7
121.06510	21.2
121.10098	1.9
123.04415	4.3
123.08094	3.5
123.11706	9.5
125.09613	3.5
127.03912	7.3
128.06232	4.9
131.08539	5.0
133.06497	5.8
133.10138	100.0
135.08063	4.5
137.05981	6.3
137.09631	3.6
139.07567	10.3
143.08543	11.0
145.06432	2.3
147.08087	3.7
147.11749	2.3
151.11203	35.0
159.48056	1.9
161.09628	53.9
165.09079	3.3
171.08054	12.2
179.10687	43.5
189.09132	41.7
197.11707	15.1
207.10202	15.8
221.65962	2.1
225.11235	49.9
243.12372	6.8
281.13705	1.8
299.14905	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	22.9
53.03940	10.0
55.01884	11.0
55.05274	3.7
55.05516	52.3
57.03440	35.3
57.87129	2.0
58.96118	2.2
59.04995	10.0
66.68520	2.0
67.05509	33.0
69.03429	6.1
69.07057	8.5
71.01355	6.0
71.04971	3.1
73.02915	2.1
79.05496	26.6
81.03424	11.9
81.06593	3.4
81.07061	52.2
83.04974	6.2
83.08627	31.4
85.06551	3.8
91.05479	52.4
93.07043	40.6
95.04966	9.4
95.08607	8.9
97.02902	12.4
97.06526	8.4
97.10155	4.0
99.00208	4.1
99.00826	72.6
99.01471	3.8
99.04458	3.1
99.08072	3.5
103.05451	6.2
105.07041	41.1
107.04956	15.0
107.08602	21.1
109.02892	28.0
109.06535	5.8
109.10171	14.5
111.04488	2.7
111.08067	9.4
113.91441	2.1
115.03931	9.8
116.23432	2.1
117.07038	8.0
119.08580	23.6
121.06514	22.2
121.10155	2.4
123.04453	5.6
123.08098	2.6
123.11681	6.4
127.03910	5.5
128.06242	4.1
131.08592	2.7
133.06490	4.6
133.10141	100.0
135.08034	3.9
135.11740	4.1
137.05994	4.9
137.09641	3.4
139.07542	8.6
143.08562	10.9
147.08066	4.3
151.11189	28.3
161.09639	52.0
163.11209	2.3
171.08090	10.4
179.10677	37.6
189.09102	38.4
197.11780	16.3
207.10132	15.6
225.11237	45.2
243.12338	7.0
299.14908	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00834	0.4
55.05516	2.2
58.99871	0.6
59.35859	0.5
69.07059	1.4
70.95892	2.2
71.49484	0.7
77.40076	0.4
83.04991	3.9
85.01405	1.5
88.96882	0.6
96.63528	0.4
98.97605	0.8
99.04471	0.7
101.00893	6.8
103.02451	4.4
106.40313	0.4
111.04466	2.5
112.84060	0.5
113.06004	1.7
119.01928	14.9
119.61595	0.5
120.02020	1.4
121.03496	1.1
125.04452	0.8
127.07555	1.4
129.03966	0.5
137.02956	2.7
139.06094	0.7
140.18011	0.4
141.03951	1.6
143.05571	6.1
145.03481	7.2
147.05045	4.7
155.05675	0.8
155.07031	14.4
157.07130	5.6
159.05113	1.0
159.99956	0.5
161.06584	5.8
163.04541	6.9
165.06093	2.6
166.36612	0.4
167.05563	1.3
169.03432	1.0
169.07108	3.7
171.05038	2.8
173.06610	1.2
174.97862	0.5
175.08170	7.2
177.01006	3.3
178.01054	3.4
179.00697	0.7
183.05045	0.6
183.08688	1.1
185.06619	9.5
185.08243	0.9
187.04494	2.0
187.08162	10.8
189.06096	15.0
190.94829	0.8
191.95016	0.9
191.99667	0.5
193.03531	0.7
195.05067	2.0
201.00899	1.0
201.06107	0.7
201.09717	2.7
203.07660	2.4
204.02574	0.7
205.05573	0.8
207.07063	1.1
208.95908	0.6
209.96074	1.5
210.95844	0.6
211.04549	5.8
211.08139	1.1
213.06122	7.4
213.09654	4.4
215.02266	0.6
218.01213	0.9
219.02049	5.4
220.02110	5.1
221.24771	0.6
222.01973	1.4
226.01711	1.2
229.05562	1.9
229.09343	0.6
231.07202	3.0
231.10739	1.1
232.96359	0.5
233.96179	2.3
234.95778	0.8
237.06163	1.4
239.07623	1.1
241.04004	0.9
243.01932	0.8
244.02283	2.1
251.97133	2.0
252.96896	0.9
255.07205	3.7
255.10773	5.1
256.97495	1.4
257.03519	0.7
257.08725	4.9
261.03146	2.7
262.03229	17.1
263.02866	2.0
274.97311	1.1
275.04736	0.7
275.09946	0.7
275.97174	7.9
276.04773	3.7
276.96954	1.4
277.00668	0.9
277.04581	0.6
293.98148	3.2
294.97964	0.7
298.98007	1.8
299.09772	100.0
300.10065	3.6
316.98947	1.4
317.05984	1.6
317.10800	3.8
317.18573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	Alfalone
Peak:m/z	Relative Intensity
53.03946	0.8
55.01870	0.2
67.01865	0.2
67.05502	0.5
68.99776	0.2
69.48676	1.3
77.03939	0.3
79.01904	0.2
79.05491	1.7
81.03421	0.3
81.07053	0.4
88.43170	0.2
93.07053	0.4
95.04981	1.1
95.08617	0.2
95.73900	0.2
105.04499	0.4
105.07076	0.3
106.11503	0.2
107.04958	100.0
107.91237	0.2
108.05278	0.9
109.34246	0.2
121.10111	0.3
123.04400	0.3
125.05975	0.2
127.03862	0.3
137.02296	0.3
137.05988	0.6
143.08630	0.3
147.04399	0.5
149.05954	0.2
151.03926	0.3
153.01814	1.7
155.08493	0.2
175.07564	0.2
192.04172	1.4
193.04970	35.9
194.05363	0.4
210.07921	0.3
212.09528	0.3
227.11665	0.3
240.08926	0.2
255.11351	0.6
281.09195	0.3
295.05200	0.2
299.09143	57.7
300.09348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.7
55.01866	5.7
55.05501	5.2
57.03441	16.1
61.20526	1.7
65.03925	2.7
67.05495	7.2
68.99784	8.5
69.03427	30.0
69.07057	4.5
71.04981	3.0
71.51537	2.2
79.01820	2.7
79.05492	11.9
81.03419	10.4
81.07060	10.3
83.01337	2.0
83.04937	2.2
85.02437	2.4
85.02905	31.6
85.06525	1.9
90.86636	1.4
91.05467	6.3
92.99729	2.5
93.07030	3.6
95.04991	10.5
95.08588	6.1
97.02918	8.9
97.10194	1.8
99.00782	2.3
99.04443	6.8
105.07019	4.8
107.04958	16.3
107.08576	3.1
109.02865	7.7
109.06509	2.1
109.10169	2.8
111.00806	4.0
111.04450	10.4
115.05476	2.0
119.08536	2.1
121.02836	7.6
121.06525	2.9
123.00794	2.7
123.04391	3.8
125.02366	5.3
125.06019	8.4
131.04961	2.4
133.06450	3.0
133.10132	4.2
135.04428	49.7
137.02365	5.5
147.04431	3.8
149.02315	3.8
149.13281	2.6
151.03918	2.2
153.01848	39.0
153.05490	2.5
161.05934	3.7
161.09639	1.8
163.03906	18.3
165.01837	100.0
171.02939	4.0
171.04297	2.3
175.03938	5.9
177.01848	11.0
177.05544	1.7
179.03360	10.1
183.02919	20.1
189.01869	2.6
189.05417	6.0
191.03368	30.9
193.01334	3.7
193.04944	5.3
195.02902	99.1
197.13289	1.7
199.03842	1.6
203.03415	17.0
207.02884	6.7
217.05003	16.9
219.02895	79.7
221.04478	9.7
229.04959	2.0
237.03827	1.6
245.04474	57.2
263.05530	85.9
264.06021	1.8
281.06561	13.5
299.05359	14.0
299.07758	13.8
299.20093	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	299.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53482	0.5
51.02380	0.5
55.05506	1.3
56.65742	0.5
57.03439	0.8
59.54391	0.5
59.72611	0.4
61.21218	0.4
65.10568	0.4
67.05510	1.7
68.99792	0.5
69.03435	1.1
69.07067	0.6
71.04998	0.5
71.51779	0.8
79.01853	4.2
79.05497	1.2
81.03406	1.2
81.07066	2.5
83.04981	1.5
85.02896	1.1
90.89242	0.5
91.05496	2.3
93.07051	1.1
95.04940	0.9
95.08606	1.6
97.02894	1.5
97.06489	0.8
97.26994	0.4
105.07018	1.4
107.01311	0.8
107.04958	33.8
107.08595	0.6
109.02890	0.9
109.06539	0.9
109.10167	0.6
110.16351	0.5
111.04429	2.5
112.33236	0.5
117.06942	0.5
119.08589	0.9
123.04414	0.9
125.02338	2.7
127.03929	0.7
131.08559	0.7
131.41841	0.5
133.06517	0.6
133.10132	1.4
137.02332	1.9
137.05940	2.7
143.03419	4.9
145.10152	1.0
147.04385	0.8
151.03970	0.8
153.01837	100.0
153.02913	6.5
154.02135	1.1
157.10091	0.6
161.09592	0.5
165.01875	0.6
165.06961	0.8
171.02797	0.5
171.04364	0.6
173.13243	0.5
175.07565	0.5
175.11246	0.5
179.03380	0.8
182.35515	0.5
189.09184	0.7
193.04968	10.5
197.06131	0.5
201.05339	0.5
203.07024	0.6
207.02899	1.7
219.06596	1.1
221.04533	0.7
222.05661	0.5
228.59563	0.5
239.07059	1.1
245.04408	0.6
253.08617	0.7
257.08105	0.6
263.05450	0.7
267.06659	0.5
281.06610	2.1
299.05609	1.0
299.09167	24.3
299.20096	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	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
56.96585	0.3
58.04907	0.2
61.01157	4.5
69.03438	0.5
70.83949	0.7
75.02711	2.2
91.05469	0.4
93.25777	0.3
94.04061	0.6
97.02911	1.6
103.02167	0.3
119.03564	1.0
136.06198	100.0
137.04578	0.6
137.06544	0.3
145.03152	1.4
154.05038	0.4
163.04265	1.2
165.38802	0.2
175.76938	0.2
238.07535	0.3
254.13884	0.5
293.01761	0.5
298.09653	3.2
298.12708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
51.35308	0.4
53.03756	0.5
53.03953	6.1
55.01867	1.1
64.10236	0.4
69.03433	1.7
69.52715	3.1
73.02931	1.0
77.03931	0.8
79.05491	2.0
81.03430	2.1
83.01341	1.0
95.01328	0.5
95.04966	6.0
101.02378	1.0
105.03400	100.0
105.04543	3.5
106.03743	1.0
107.08627	0.5
119.04875	0.5
121.06539	0.5
122.07159	0.6
123.04462	2.7
136.03970	0.5
137.06044	0.5
146.05983	0.6
147.28282	0.5
151.07602	0.6
153.01823	4.8
153.02892	0.6
153.06635	0.5
154.05019	3.3
163.07469	0.6
205.13361	1.3
206.54948	0.5
233.12903	2.6
251.13963	1.2
257.02570	0.5
263.45428	0.5
265.08765	0.5
266.99945	1.5
279.13531	1.2
283.03351	0.5
297.06094	1.9
297.14444	6.0
299.06128	3.6
312.74078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01875	1.2
56.96570	1.5
57.03445	3.0
61.02928	2.5
67.05495	1.2
69.03439	6.2
70.06573	1.2
71.01348	1.2
71.04982	1.4
71.50579	0.7
72.08147	0.7
73.02911	1.0
73.04729	0.7
75.04501	0.8
81.03429	3.2
84.08149	2.6
85.02915	2.8
85.04023	0.7
88.04001	1.8
89.06041	1.2
91.05434	0.9
95.04979	0.8
95.06126	1.5
96.06432	1.0
97.02898	1.9
98.97612	1.1
99.04460	1.8
101.00891	1.1
105.03403	9.8
105.04539	0.6
107.04967	1.6
109.02877	2.0
110.07164	0.9
112.07592	1.8
118.11631	0.5
119.01918	2.6
119.04933	1.7
122.07161	1.3
123.04422	1.9
127.03941	1.4
129.03990	0.7
130.08638	0.7
131.01862	0.7
133.07616	10.7
136.06206	1.8
136.07588	3.1
137.05972	9.8
140.05626	0.6
143.01906	1.0
145.03508	0.7
145.07616	18.3
147.04408	1.8
147.09108	0.6
149.05946	0.6
152.07054	0.8
153.01813	4.8
154.08620	0.8
156.03316	1.5
157.03557	0.7
158.06631	5.0
159.06750	0.8
161.03050	0.7
163.08675	63.9
165.05496	1.8
167.07002	0.6
168.03326	0.6
168.06509	0.9
169.03441	1.7
170.03526	0.8
170.06657	0.7
171.01436	0.8
174.04401	1.2
176.07729	2.3
177.00885	0.9
177.02452	0.5
182.08188	2.4
185.01295	0.8
186.04399	2.5
186.06102	0.8
187.04532	0.7
188.07652	2.1
189.02567	0.8
189.07748	0.6
190.05875	1.3
194.13676	1.0
195.05078	1.4
201.00735	0.7
204.05544	1.3
205.03499	0.7
210.03831	1.1
211.04546	0.5
216.06642	1.1
219.01872	1.1
219.05057	2.4
220.02092	0.8
223.12929	1.5
235.12920	1.1
237.06117	2.0
249.06223	0.8
251.10335	1.7
262.07059	0.8
266.99936	1.5
267.07239	1.5
279.07312	0.7
279.13690	1.5
283.03128	1.9
293.02069	0.6
297.14493	100.0
298.14914	0.8
299.06271	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	296.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.4
58.06601	0.5
58.63785	0.4
58.74132	0.5
68.84725	0.4
69.24930	0.4
69.72322	1.9
69.72725	0.9
71.57745	0.4
79.05505	0.6
81.03409	0.5
81.07052	0.8
91.05463	0.6
93.07032	0.7
105.06998	1.1
114.47430	0.4
141.01025	0.9
142.82990	0.4
146.06029	0.9
147.06342	1.4
151.03819	0.6
152.04234	0.5
165.07022	1.0
176.14365	0.5
178.07852	1.3
179.08559	3.8
189.06987	1.7
190.07747	2.5
191.08574	5.3
193.06531	0.7
193.10118	1.2
202.07768	1.0
203.08569	4.4
204.09312	1.0
205.06500	1.6
205.10088	2.7
206.07172	0.9
207.08041	6.5
208.08733	0.5
215.08672	0.9
217.06451	1.6
218.07294	3.9
219.08054	8.9
220.08746	0.7
221.06035	3.9
221.09563	4.0
222.06720	0.6
222.10439	2.4
232.08940	0.5
233.09653	4.3
234.10403	32.0
235.07545	33.5
235.11269	1.2
236.08321	5.1
237.09100	1.3
238.09842	0.8
249.09143	2.7
250.09909	45.3
251.10451	0.6
252.19678	1.2
265.12247	100.0
266.12442	2.1
273.04276	0.6
295.06061	0.5
296.06635	0.7
296.16455	24.3
296.21948	0.9
297.11215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2011
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02368	0.3
53.03948	2.1
55.01875	0.4
60.36463	0.2
70.95912	0.5
77.03917	0.9
78.04716	0.2
78.86935	0.2
79.05499	0.3
81.03426	0.4
91.05482	11.4
93.07044	19.6
95.04974	2.6
102.04711	0.3
103.05470	12.9
105.04509	1.4
109.82395	0.2
115.61401	0.2
118.06543	4.6
121.06506	100.0
122.06835	0.5
124.75263	0.2
132.08057	1.6
133.08881	0.8
134.09703	0.2
141.67148	0.2
145.28984	0.2
146.09666	1.6
147.10442	0.4
176.14348	68.0
177.14726	0.4
197.85590	0.2
220.32867	0.2
265.12247	0.5
296.20093	87.2
297.20432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
53.03709	0.4
53.03954	5.7
55.01867	1.4
56.96574	0.4
66.74039	0.3
67.05489	0.5
69.03436	1.0
70.06606	0.7
71.50081	0.6
73.02923	0.7
73.04742	0.5
77.03941	1.2
79.05479	1.9
81.03424	1.7
83.01350	0.8
84.08147	0.9
85.02914	0.5
85.69049	0.3
93.07074	0.4
95.01328	1.0
95.04974	5.1
101.02380	1.1
105.03401	100.0
105.04540	3.6
106.03748	0.9
107.04994	0.5
110.07148	0.4
113.02387	0.6
123.04443	1.3
129.01822	0.5
145.07619	0.5
150.16031	0.4
153.01842	1.5
163.08693	1.2
183.06674	0.4
201.00662	0.4
251.05809	0.7
266.99966	1.3
279.13516	0.5
283.03171	1.0
297.06107	0.9
297.14490	3.3
299.06131	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	296.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04039	1.6
62.00678	58.8
62.99076	3.4
67.05520	1.8
67.79621	1.0
69.07064	1.1
69.51477	7.8
70.06577	1.1
75.67691	0.9
79.05474	1.3
81.03435	1.4
81.07049	3.0
87.98579	2.7
91.05482	2.9
93.07058	2.1
95.08616	1.8
98.20757	1.8
103.05453	1.0
104.04975	1.5
105.01222	40.2
105.99622	1.9
107.08617	2.0
109.10134	1.1
112.70985	0.9
122.06062	2.2
123.02261	13.5
123.11681	1.0
127.03550	1.3
139.01239	1.0
152.05151	1.3
152.14316	1.3
153.01848	1.3
154.04630	7.5
172.05693	38.7
174.05270	100.0
186.61481	0.9
189.06335	4.2
192.06360	3.2
232.06976	2.4
296.06314	1.9
296.15179	1.1
296.18478	4.3
296.22281	3.2
313.51810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	9.4
55.01880	45.3
55.05515	48.7
57.03413	4.6
57.07067	10.6
60.05144	2.4
64.41397	2.5
66.26723	2.6
67.05509	73.0
68.57001	3.0
69.03407	3.2
69.07076	33.0
69.76247	6.1
69.76659	9.5
71.04995	6.0
71.08638	31.9
79.05505	41.0
81.03081	2.2
81.03429	23.3
81.06593	4.1
81.07061	72.9
83.05002	21.5
83.08627	29.8
85.06532	8.5
85.10178	8.4
85.77940	2.7
91.05492	33.2
93.06499	3.0
93.07052	54.6
95.04984	20.0
95.08612	47.2
97.06536	20.1
97.10160	13.8
99.08105	25.5
101.85516	2.5
105.07032	31.6
107.04958	3.7
107.08600	26.3
109.06516	11.6
109.10158	24.9
111.08096	42.9
111.08807	5.7
113.09628	9.8
117.07031	7.8
119.08566	20.0
121.06516	6.7
121.10142	20.9
123.08110	4.1
123.11702	7.9
125.09652	13.3
125.39035	2.6
129.07019	3.7
131.08553	9.0
133.06483	4.8
133.10133	24.0
135.08051	5.2
135.11668	20.0
137.09607	8.1
137.13153	3.1
139.07465	3.0
139.11189	9.4
143.08554	3.4
147.11671	20.7
149.02382	12.6
149.09595	8.1
149.13234	17.6
151.11198	30.1
153.12798	3.3
157.10117	4.6
159.11662	4.4
161.13264	12.5
163.11201	11.5
163.14906	4.6
165.12750	26.7
166.72705	2.5
171.11644	5.5
175.11157	4.2
175.14822	9.3
179.14302	12.8
185.13229	5.6
189.11250	4.6
193.12161	2.9
203.14238	3.2
207.13852	3.8
221.15337	8.2
231.21211	6.3
241.19553	7.1
249.22226	5.4
259.20639	15.0
261.11926	2.8
277.21640	100.0
280.77655	2.7
295.09741	4.2
295.22717	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03932	3.4
54.30447	2.7
55.01872	5.7
55.05515	36.9
56.58516	2.5
57.03424	3.0
57.07073	5.9
67.05507	74.9
69.03432	3.7
69.07071	28.1
69.16454	16.0
69.16882	12.0
71.04971	3.6
71.08633	40.8
79.05499	53.3
81.03421	9.6
81.07062	66.4
83.04974	15.5
83.08617	23.0
85.06545	3.5
91.05486	30.9
92.58476	2.7
93.07053	61.0
95.04963	12.1
95.08053	4.7
95.08604	45.6
97.06521	11.7
97.10189	15.4
98.20776	5.3
98.52692	3.4
99.08092	29.0
105.07031	25.1
107.05009	6.8
107.08598	41.2
109.06495	5.7
109.10161	26.7
111.08083	5.0
113.09631	4.3
119.08549	19.2
121.06453	3.4
121.10146	36.8
123.08035	5.1
123.11757	3.2
125.09629	10.4
129.07005	3.0
131.08549	6.7
133.10124	11.5
135.11688	38.7
137.09604	6.3
139.11191	3.2
141.09068	3.5
145.10149	4.5
147.11691	8.7
149.13274	14.4
151.11166	16.0
153.12718	3.0
157.10117	4.0
159.11734	5.5
161.13289	9.3
163.11218	7.7
163.14915	3.2
167.10556	3.7
171.11615	3.6
173.13297	3.3
177.12697	3.8
179.14317	100.0
185.13161	3.2
189.11243	5.8
217.92763	3.5
240.61079	3.0
259.20535	9.4
261.22052	3.8
277.21640	51.9
295.20084	3.6
295.22821	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03957	7.7
55.01867	7.1
55.05515	31.8
57.03437	6.7
57.07072	10.0
57.53325	3.5
64.75750	2.8
67.05509	67.2
69.03410	3.7
69.07072	26.3
71.04985	6.2
71.08637	45.6
71.51083	4.7
79.05499	52.5
81.03415	10.4
81.07065	64.4
83.04987	16.1
83.08628	14.5
85.02887	6.7
91.05488	36.2
93.07052	70.1
93.07628	4.6
95.04981	11.3
95.08614	43.0
95.26630	2.9
97.06514	15.3
97.10174	7.8
99.08105	37.1
103.99148	3.0
105.07036	23.9
107.04247	3.4
107.04973	7.6
107.08601	44.1
108.88078	3.0
109.06518	3.8
109.10172	26.3
111.08118	5.2
117.07005	5.6
119.08564	23.2
121.10160	41.1
123.11743	4.1
125.09671	8.0
129.06998	6.1
131.08588	5.4
133.10182	16.1
135.11717	47.0
137.09622	5.9
141.09146	3.6
145.10126	7.0
147.11705	5.4
149.13284	12.8
151.11182	16.6
157.10191	5.6
159.11710	4.1
161.13275	12.9
163.11128	5.3
167.10724	3.1
177.12828	3.8
179.14330	100.0
189.11130	3.7
189.12674	3.8
221.15465	5.3
227.80124	3.4
235.17072	3.4
244.00000	3.6
277.21619	50.3
281.47302	3.3
295.22858	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(S)-HOTrE
Peak:m/z	Relative Intensity
53.03936	5.6
55.01876	34.1
55.05515	57.4
57.03434	8.1
57.07074	15.2
65.03944	3.1
67.05180	5.8
67.05511	78.6
68.34290	3.0
69.03419	5.6
69.07072	43.3
69.33405	20.5
69.33807	7.4
71.04990	9.9
71.08631	26.5
71.40540	3.2
79.05502	58.3
81.03423	19.0
81.06588	6.0
81.07063	100.0
83.04992	21.1
83.08617	28.3
85.02915	3.8
85.06567	6.4
86.84100	3.2
91.05494	43.6
93.07050	77.1
94.45797	3.4
95.04974	24.5
95.08620	59.4
97.06533	14.4
97.10173	19.0
98.21496	5.9
99.08108	20.9
101.02330	5.0
105.04462	3.2
105.07044	40.6
107.08602	38.6
109.06539	16.3
109.10161	21.4
111.08092	43.6
113.06066	3.8
113.09686	5.6
117.07003	9.9
119.08591	25.3
121.10154	24.0
123.08036	8.4
123.11717	7.9
125.09650	11.2
129.07021	8.7
131.08562	15.0
133.06534	17.3
133.10149	31.3
135.08087	9.1
135.11703	24.3
137.03909	3.3
137.09610	4.7
139.11191	14.5
143.08578	6.0
145.10120	9.2
147.11685	17.9
149.09647	9.2
149.13289	17.4
149.59567	3.2
151.11156	16.6
153.12839	3.8
157.10156	12.7
159.11688	7.9
161.13278	14.3
163.11200	5.4
163.14790	5.9
165.12767	17.2
171.11681	5.3
175.11182	7.2
175.14815	8.1
179.14322	9.7
185.13260	5.0
193.12236	5.2
194.65565	3.1
195.13866	6.9
207.11911	3.7
207.13899	5.5
241.19556	5.2
249.22105	5.4
259.20636	11.6
277.21661	97.7
295.22919	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03949	13.8
55.01637	2.7
55.01880	35.6
55.05279	4.4
55.05518	62.7
57.03424	9.9
57.07080	18.8
59.46624	3.1
65.03943	4.4
67.05511	100.0
69.03414	9.4
69.07071	38.7
71.04976	10.7
71.08640	25.8
71.51482	3.9
72.35725	2.8
79.05497	63.6
80.63630	2.7
81.03423	17.5
81.06592	5.3
81.07066	92.4
83.04999	25.9
83.08630	41.3
85.02905	3.9
85.06544	7.4
85.10178	5.0
86.69370	2.7
91.05489	53.6
93.06487	4.4
93.07050	78.3
95.04986	30.5
95.08617	54.7
97.06558	14.2
97.10184	21.1
99.08095	19.3
105.07041	40.3
107.04970	7.3
107.08602	46.1
109.06509	10.6
109.10151	27.9
111.08096	37.0
113.09618	5.0
117.07022	11.9
119.08604	30.2
120.55568	3.0
121.06506	5.2
121.10155	27.9
123.08083	8.6
123.11713	10.0
125.09631	13.7
129.07014	8.4
131.08600	15.7
133.06445	6.9
133.10141	33.8
135.08070	4.4
135.11702	24.8
137.09641	10.1
139.11205	15.5
143.08543	8.0
145.10136	5.9
147.07951	2.8
147.11668	22.5
149.09633	6.2
149.13261	25.4
151.11198	24.2
153.12744	6.9
153.86131	3.5
157.10107	10.5
159.11664	8.3
161.09630	2.9
161.13242	18.1
163.11192	9.1
163.14809	5.4
165.12762	17.0
171.11703	6.4
173.13324	4.6
175.11137	8.6
175.14795	9.7
179.14307	9.4
185.13213	5.5
189.11191	6.2
189.12715	3.9
193.12274	6.8
194.67252	2.9
195.13734	4.6
207.13853	4.3
221.11684	5.4
221.15327	7.1
231.21011	6.9
241.19528	9.2
249.22144	7.4
259.20615	14.0
277.21664	97.7
295.22852	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05508	1.1
61.58360	0.3
67.05510	0.4
68.05010	0.5
69.03430	1.3
69.07068	0.8
70.06608	0.8
71.04983	0.4
71.37112	0.5
79.05496	4.2
80.04998	1.1
81.03425	2.0
81.05812	4.0
81.07063	3.8
83.05001	0.8
84.08128	0.9
85.02913	0.6
85.06548	0.6
85.26746	0.4
87.04478	0.4
88.03988	1.2
89.40070	0.3
91.05491	0.8
92.05030	0.4
93.07032	0.6
94.06576	2.7
95.08617	0.6
96.04491	0.8
96.08138	16.9
97.02901	1.2
97.06536	0.8
104.03419	0.4
105.03403	0.5
105.07031	0.6
106.06565	2.6
107.04957	1.3
107.08595	0.5
108.08115	0.7
109.02847	0.3
109.06506	1.3
112.07615	2.7
112.61340	0.3
115.03924	0.7
120.08083	0.4
121.10206	0.4
123.04441	0.6
123.08099	0.6
124.07598	100.0
125.06017	0.5
125.07933	0.8
126.09135	0.9
133.96408	1.4
134.96738	1.0
135.04401	0.4
136.07571	1.0
137.05988	0.4
138.09117	0.5
145.10123	0.5
146.06018	3.6
147.04422	0.5
147.05527	1.0
151.03915	2.2
154.08624	3.8
156.06517	0.4
163.03903	0.4
163.11224	1.2
172.09708	3.3
174.04047	0.7
174.05539	1.3
181.12244	0.6
188.10638	0.4
212.06778	1.2
221.08008	0.4
232.13361	0.9
259.14493	3.7
260.12869	1.1
277.15472	5.9
277.18234	0.6
295.08978	0.7
295.13333	0.8
295.16589	5.2
295.20175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05503	1.1
61.02937	0.3
65.03938	0.3
67.05499	0.6
68.05029	0.5
69.07056	0.7
70.76428	0.8
70.76810	0.3
79.05501	3.9
80.05018	1.2
81.03418	0.8
81.05802	4.4
81.07056	3.2
84.08144	0.6
85.06515	0.3
88.03994	0.5
93.07055	0.6
94.06586	1.7
95.04989	0.7
95.08607	0.6
96.04491	0.4
96.08137	18.2
97.02888	0.3
97.06544	0.3
103.05486	0.4
105.07003	0.4
106.06564	2.9
107.04973	0.7
107.08572	0.3
108.08115	0.6
109.06528	1.0
111.04392	0.3
112.07594	3.7
118.61687	0.3
121.06534	0.3
122.09654	0.3
124.07595	100.0
125.07919	0.5
126.09154	0.8
131.04906	0.4
133.06503	0.6
135.04430	0.3
135.08119	0.5
136.07516	0.4
146.06032	1.6
151.03914	1.1
154.08623	2.7
156.06653	0.4
163.07550	1.0
166.83452	0.3
168.99736	0.3
172.09697	4.2
174.05528	0.6
196.15158	0.3
232.13321	0.8
259.14453	3.1
260.12845	1.2
277.15506	3.8
291.21289	0.3
295.05902	0.4
295.09747	0.7
295.13281	0.7
295.16595	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	295.1329
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
53.03925	2.6
53.27438	0.6
55.01855	3.3
55.05511	1.0
56.48173	0.8
57.03436	0.8
65.03941	0.7
67.05502	1.2
69.03414	2.2
69.07065	1.5
70.85872	1.9
74.95424	0.7
75.46936	0.7
79.05488	7.8
81.03399	3.0
81.05779	2.5
81.07067	2.0
84.08125	0.8
85.02898	1.7
88.03979	1.8
88.44906	0.7
91.05476	8.5
91.71758	0.7
93.07028	2.2
94.05654	0.7
94.06547	2.0
95.04941	1.4
95.08608	1.3
96.08123	7.8
97.02872	1.6
97.06519	0.9
103.05465	42.1
105.07032	20.0
106.06522	1.8
107.04961	7.4
108.05736	1.4
109.02898	1.4
109.06511	2.4
115.05418	2.6
117.07025	3.4
119.04922	1.6
120.05698	1.8
121.06505	17.3
122.03613	0.9
123.04444	1.7
123.08046	3.3
124.07599	32.4
125.05917	0.9
129.06960	1.1
131.04927	36.9
133.06496	71.9
135.04413	1.5
135.08057	34.3
136.05196	1.5
137.05989	13.2
143.04849	0.9
144.05695	0.9
145.06490	23.3
146.05974	3.3
147.08063	5.9
149.05981	4.9
151.03969	4.4
151.07544	22.9
154.08661	1.9
155.06039	2.2
157.06511	5.9
159.07965	0.9
160.05154	1.3
163.03886	3.6
163.07544	100.0
171.08055	3.1
172.09659	1.4
174.05389	1.9
175.07513	5.2
187.07529	2.8
195.08003	0.9
202.07755	2.0
207.08017	2.6
216.09560	0.8
217.10112	1.0
219.08026	1.7
220.08801	3.5
231.08041	1.3
232.13339	1.9
233.09735	0.9
235.07751	1.1
235.11131	6.2
245.09641	2.9
247.07751	0.8
247.96573	0.9
248.08328	1.6
259.14224	1.2
260.12860	1.8
263.10706	10.6
267.19208	0.8
277.15332	1.2
280.10825	1.3
295.05963	3.5
295.13254	27.0
295.16577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.68291	0.7
55.05496	0.8
56.05054	1.6
59.97482	0.8
60.08167	0.9
69.03440	0.7
70.02965	3.8
70.06590	1.5
71.05651	1.7
71.05997	1.0
74.02444	1.4
79.05497	10.3
81.03406	1.7
81.07043	0.8
81.75615	0.7
83.06091	1.1
84.04510	45.8
84.08132	1.5
85.02920	3.5
86.02408	0.8
86.09694	0.9
88.03996	16.9
91.05490	2.4
92.05020	1.0
93.07026	1.1
94.04063	2.6
94.06570	17.9
95.04919	0.8
95.08576	0.7
97.02917	0.9
98.97546	0.9
99.00807	2.2
102.05547	2.3
103.05463	1.5
104.03477	5.2
104.05019	0.9
105.07028	1.1
106.06575	3.7
107.04962	58.9
110.06030	0.9
114.10356	0.7
116.03496	0.8
117.07075	0.7
117.51579	0.7
118.06518	1.0
119.04969	1.2
120.04476	6.3
120.08137	1.3
123.06648	1.9
129.06670	1.1
130.05011	21.5
131.04941	8.9
132.04449	2.5
133.02798	0.8
136.07576	7.5
138.09151	2.2
139.04941	0.8
143.36923	0.7
146.06015	43.8
147.04428	1.1
147.07684	1.1
148.03951	3.9
148.06180	0.7
148.07550	0.7
149.05997	22.1
150.07758	100.0
151.03914	3.0
151.04967	0.8
151.08058	1.2
154.08641	1.8
156.02885	2.1
162.05540	1.3
166.08655	13.1
174.03987	6.6
174.05527	17.1
192.06572	3.1
202.03448	4.5
224.99150	0.7
232.09709	2.1
233.17938	0.7
234.16483	0.7
251.11107	0.8
277.15622	1.1
278.10245	3.3
295.12762	6.6
295.16632	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	295.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12172	0.9
53.17914	0.9
56.05023	2.5
57.03441	1.0
57.48124	0.8
58.93605	0.8
60.08169	0.9
62.48555	0.8
67.63651	0.8
69.03425	1.7
69.07073	1.6
70.02944	3.5
70.06588	1.0
74.02435	2.3
78.52402	0.8
79.05068	1.4
79.05495	17.7
81.03430	1.4
83.06111	2.0
84.04510	71.6
84.08133	2.3
85.02901	5.1
86.09715	1.0
87.00829	1.0
88.03999	26.4
91.05466	4.1
92.04994	1.4
94.04068	1.8
94.06570	26.7
95.04965	1.0
95.08562	1.0
97.02873	1.3
99.00817	3.4
100.54039	0.8
101.07135	1.3
102.05540	4.0
103.05451	2.9
104.03465	7.6
104.04993	2.2
105.07015	1.8
106.06557	6.7
107.04960	100.0
110.06034	1.1
116.03517	0.9
118.06544	1.8
119.04935	1.8
120.04481	7.6
120.08076	1.0
121.06538	1.4
123.06671	1.0
124.07573	1.1
128.04929	1.2
129.06622	2.0
130.05006	35.8
130.37296	0.8
131.04929	15.8
132.04459	3.7
133.05080	1.5
136.07593	10.7
138.09084	1.0
142.87027	1.0
145.05034	1.0
146.06020	64.1
147.04431	1.5
147.06409	1.0
147.07704	2.4
148.03922	3.2
148.07556	1.9
149.05995	36.6
150.05585	2.5
150.07756	67.5
151.03850	1.5
154.08592	2.4
156.02919	2.5
162.05482	1.5
163.03902	0.9
166.08652	25.5
174.03972	9.4
174.05521	24.6
174.80087	1.0
174.96857	1.2
192.06609	4.0
202.03447	7.1
205.10559	1.4
232.09756	4.7
250.59474	0.9
250.91078	0.9
267.06686	0.9
277.11951	1.5
277.15463	1.2
278.10291	7.0
295.06003	2.6
295.12875	10.8
295.16589	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03946	3.9
55.01863	4.1
55.05516	2.2
57.03444	18.2
59.05007	9.9
61.02928	2.8
67.05519	4.2
69.03434	100.0
69.07069	2.6
70.02981	1.4
71.01370	2.9
71.04998	4.8
73.02924	4.1
75.04476	1.7
75.31286	1.4
79.05497	3.9
81.03424	38.2
81.07044	4.3
83.01334	2.4
83.04964	5.1
84.10110	1.4
85.02907	55.6
87.04475	40.4
88.03975	2.7
91.05490	4.1
93.07049	4.2
94.06583	3.6
95.05036	3.3
95.08617	2.6
96.08152	5.1
97.02896	56.2
99.04469	15.5
103.03960	9.7
105.07051	2.8
107.04985	3.2
109.02891	10.8
109.06512	2.0
109.10152	3.0
111.04452	4.4
115.03937	49.7
117.05527	4.6
119.08630	1.6
121.06499	2.8
122.06035	1.9
123.04428	4.0
124.07604	32.6
125.02329	2.3
127.03918	13.1
131.04942	2.2
133.04974	41.7
135.04445	2.1
135.71365	1.7
136.75256	1.7
139.03929	2.7
141.05458	2.1
145.04970	19.1
146.06007	9.8
147.04414	6.1
151.03915	33.0
151.04977	2.1
154.08664	3.0
156.10281	1.8
157.04951	2.2
161.04428	3.0
163.03923	3.8
164.10823	1.8
165.05508	2.2
169.04961	7.4
174.05530	3.3
175.03929	3.1
187.06117	2.5
192.10161	2.0
199.05974	1.7
205.04976	7.0
241.07158	3.1
259.08212	3.9
260.12726	2.6
277.09192	6.0
277.15329	1.6
295.05969	10.9
295.08521	6.3
295.16693	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11390	0.3
56.05030	0.7
57.04541	1.1
69.43490	0.8
69.43899	1.7
70.02954	1.0
70.06567	0.3
74.02444	0.4
79.05503	1.7
80.53966	0.3
81.03421	0.8
81.15614	0.4
84.04508	9.4
85.02904	0.8
88.03989	4.4
91.05473	0.5
94.04076	3.1
94.06576	5.8
99.00803	0.7
101.36520	0.4
102.05538	0.4
103.05439	0.5
104.03459	1.4
106.06535	0.8
107.04961	13.1
118.06559	0.3
119.03567	0.3
120.04469	1.6
120.08054	0.4
121.02858	0.4
121.06545	0.3
123.06691	2.2
130.05020	4.5
131.04947	1.8
132.04431	0.7
133.05090	0.4
135.05385	0.5
136.07585	1.1
146.04868	0.7
146.06017	12.7
147.04366	0.7
148.03940	0.8
148.06160	0.5
149.05994	4.5
150.07758	100.0
151.03923	0.7
151.08139	0.4
156.02953	0.6
166.08673	3.0
174.03998	1.7
174.05537	4.1
181.08545	0.6
182.50439	0.3
192.06598	0.6
202.03513	1.4
209.54523	0.4
224.13228	0.4
232.09682	0.4
278.10236	0.7
287.24866	0.4
295.11819	2.3
295.16379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01866	0.3
55.05504	0.4
57.07069	0.8
58.02972	0.3
61.53350	0.2
66.04729	0.4
67.05501	1.2
69.07064	0.3
69.66891	0.2
70.79854	0.5
71.08635	0.3
79.05484	0.9
81.07063	2.9
83.04986	0.2
85.31567	0.2
88.07636	0.2
91.05473	1.0
92.21669	0.2
93.07034	0.3
94.04190	2.7
95.04979	0.5
95.08614	0.4
97.06560	0.2
97.10186	0.3
98.10498	0.2
105.07055	0.3
106.07412	0.2
107.04948	0.5
107.08603	0.5
109.06519	0.5
109.10155	0.3
112.04832	0.2
120.25000	0.2
121.10159	0.2
122.03661	7.4
123.11698	1.9
133.10107	0.2
134.10516	0.2
135.04408	0.2
137.05986	100.0
138.06351	0.6
146.75160	0.2
149.09607	0.2
158.15410	1.7
170.15407	1.8
176.82446	0.2
210.12099	0.3
216.78600	0.2
237.11032	0.2
238.11615	0.9
276.20435	0.8
294.21326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66029	0.7
51.35259	0.8
60.04517	0.8
68.99789	0.9
69.56220	4.3
70.02962	9.2
74.02438	2.8
79.51803	0.7
86.02428	1.6
87.00838	1.0
88.03999	39.1
94.06576	42.4
98.02452	1.4
99.00829	6.1
104.03482	13.7
104.04196	1.2
104.04994	2.2
110.06039	1.2
116.03449	2.9
118.06532	2.6
120.04471	11.1
124.04793	0.9
128.04970	1.1
130.04994	2.0
130.69702	0.7
132.04453	7.8
146.06023	100.0
147.06349	1.0
150.05525	3.4
156.02998	4.0
158.04532	1.3
163.08740	1.2
174.03999	16.1
174.05539	38.3
192.06586	7.6
202.03493	12.6
208.83990	0.7
209.09247	1.0
235.82855	0.7
277.08252	1.7
295.09323	2.4
295.13016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01871	6.0
57.03430	14.6
67.05476	8.1
69.03436	100.0
69.07067	5.7
70.02940	8.9
70.95049	10.8
71.04966	8.3
73.02921	10.4
81.03423	24.0
81.07064	6.2
85.02914	55.3
87.04491	31.3
88.03967	14.4
91.05465	7.7
92.04996	6.8
93.07073	5.9
93.33424	4.4
94.06588	27.1
97.02898	62.4
98.03291	4.7
99.04458	14.6
103.03912	11.7
104.03466	9.0
109.02866	7.2
115.03940	57.1
121.02911	8.1
123.04425	6.4
124.07600	21.3
127.03883	6.7
133.04959	41.9
145.04982	24.1
146.06020	58.4
147.05510	9.0
151.03900	20.1
169.05008	8.2
174.04184	6.8
174.05447	28.9
202.03508	8.2
205.04790	5.6
249.13033	7.6
277.08969	6.0
295.05835	36.8
295.13312	7.5
295.17084	19.6
298.77847	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	294.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01845	0.9
55.05514	3.0
56.05016	0.7
64.81863	0.5
65.24142	0.6
67.05488	1.4
69.07061	1.3
70.06590	0.6
71.01360	1.0
71.04991	1.6
71.24695	1.0
73.02894	2.8
79.05494	5.3
80.05016	3.4
81.07079	3.3
83.04968	1.3
85.02914	3.2
86.02429	0.9
86.03218	1.5
88.03976	1.4
91.05521	3.9
93.05798	3.9
93.07051	11.1
94.06551	1.9
95.08584	1.4
96.04520	0.7
100.03963	1.5
105.07056	5.7
106.06554	1.5
107.07344	0.8
107.08615	5.2
108.08128	41.7
109.08924	6.4
114.05527	0.9
116.03454	0.7
117.07040	0.8
119.08590	3.1
120.08084	2.1
121.08863	0.8
122.09708	1.1
128.03416	1.0
129.05432	0.8
131.08597	1.3
133.10129	1.4
134.09685	7.6
135.11664	5.3
146.04495	1.1
148.11198	2.6
150.05460	1.4
152.07047	0.8
160.05983	1.1
160.11255	0.7
161.13225	3.8
162.09219	1.1
162.12794	1.3
165.07840	1.2
166.08603	2.6
176.14299	2.0
177.15132	2.0
178.08652	12.0
180.10226	8.9
188.14435	0.7
196.06053	6.1
206.08131	1.9
212.09045	0.8
219.56680	0.6
224.09200	100.0
225.09976	3.8
226.08632	1.3
226.10748	18.9
234.14799	0.8
248.16560	0.8
250.18083	1.1
256.63132	0.6
294.17041	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.12415	1.2
53.03931	3.6
55.01867	2.8
55.05513	34.0
57.03437	3.3
57.07076	26.1
65.03939	1.2
67.05508	44.9
69.07071	64.9
69.60297	8.3
71.05005	3.5
71.08636	11.5
79.05503	17.1
81.03398	1.7
81.07059	98.7
83.05000	1.8
83.08620	48.2
85.06544	10.9
85.10168	2.8
91.05482	7.3
93.07048	31.2
95.04961	3.0
95.08611	100.0
97.06567	6.4
97.10168	23.0
99.08086	10.3
104.89419	1.3
105.07018	3.5
107.04944	2.4
107.08602	30.4
109.02828	1.5
109.06509	5.0
109.10160	79.1
111.08079	12.0
111.11730	12.2
116.01162	1.4
119.08552	3.2
121.06536	2.2
121.10163	17.0
123.04476	1.4
123.08083	1.3
123.10832	2.3
123.11704	37.3
125.09668	8.9
125.13264	4.0
131.08572	2.3
133.10120	2.3
135.11699	16.1
137.09663	1.5
137.13257	12.9
139.03922	2.5
139.11180	4.2
139.14958	1.9
145.10124	2.6
149.09613	1.9
149.13264	33.1
151.14821	4.9
153.12724	7.7
160.31143	1.4
161.13376	1.4
163.14845	8.6
165.16357	2.9
167.14313	3.5
173.13258	1.5
177.16385	3.4
179.17908	3.1
187.11192	1.3
191.17668	2.0
193.19589	2.2
205.19524	1.8
219.13861	1.3
219.21021	2.5
248.01920	1.2
249.25793	7.3
275.20023	2.0
275.24829	1.9
275.27338	9.1
293.08151	1.8
293.21249	1.7
293.28375	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03951	1.8
55.05512	9.2
57.07065	3.0
65.03947	2.7
67.05506	100.0
69.07066	9.6
69.19807	7.5
69.20222	2.7
77.03896	1.1
79.05489	16.9
81.07059	99.2
83.04967	2.8
83.08610	5.7
85.06557	2.4
91.05488	5.9
93.07038	17.2
95.08609	86.2
97.06539	2.5
97.10148	2.4
98.20707	1.9
99.08098	1.3
99.12695	1.2
105.07024	7.5
105.89763	1.1
107.08597	10.2
109.06506	2.7
109.10155	31.3
111.08099	1.3
117.07003	2.6
119.08593	5.5
121.10147	13.9
123.08080	2.5
123.11722	19.5
125.09664	1.0
129.67542	1.1
131.08574	7.5
133.10139	4.7
135.07950	1.3
135.11719	8.2
137.09602	1.7
137.13271	10.8
145.10092	5.3
147.11676	3.7
149.09647	3.0
149.13283	5.1
151.11218	1.6
151.14825	4.5
159.11720	4.6
161.13263	3.1
163.11259	2.2
163.14845	3.4
165.12729	2.4
165.16310	1.6
173.13344	6.8
177.12782	4.0
177.16422	3.2
179.14333	1.3
187.14824	3.4
191.14296	1.8
205.15878	1.5
223.16837	1.7
237.18295	1.7
243.21039	9.0
261.22177	8.5
293.21448	1.7
293.24655	14.2
308.14548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03944	2.3
55.01862	2.8
55.05512	43.9
57.03415	1.6
57.07072	3.0
59.04990	4.4
65.03929	2.3
67.05506	10.7
69.03422	5.6
69.07072	7.8
71.04980	3.5
71.51447	2.4
73.06554	5.9
79.05493	10.6
81.07064	20.5
82.12339	1.2
83.04984	6.8
83.08606	4.9
84.08089	1.6
85.02909	3.0
85.06537	3.5
85.09701	1.2
91.05484	11.2
91.07574	1.4
93.03413	1.6
93.07045	20.5
95.04967	7.7
95.08611	21.7
97.06539	31.7
97.10178	3.2
99.08076	2.0
101.05385	2.4
101.06020	35.2
105.07032	16.4
105.91142	1.2
107.04945	1.6
107.08588	23.8
109.06528	11.6
109.10167	14.0
111.08088	4.9
113.09647	4.8
117.07017	2.7
119.08582	14.6
120.08160	1.5
121.02854	4.5
121.06499	7.6
121.10140	18.6
123.04433	14.1
123.08060	4.4
123.11706	4.5
125.09624	5.2
129.06996	2.5
131.08548	8.0
133.10146	10.8
134.09674	2.2
135.08051	12.0
135.11708	6.9
137.09595	11.0
138.99249	1.2
139.11165	2.4
141.04591	1.5
142.07780	1.6
143.04890	1.6
143.08510	1.8
144.08083	2.0
145.10086	8.5
147.08014	2.1
147.11734	6.2
149.02342	100.0
149.09634	9.6
149.13258	2.5
150.02679	2.9
151.11159	3.1
153.09085	1.8
157.10121	3.5
159.11681	8.0
161.05994	2.9
161.09613	3.7
161.13220	3.1
163.11140	6.4
163.14726	2.0
167.10721	3.3
170.10982	1.6
171.08136	1.3
171.11661	2.1
173.13277	5.6
175.07562	10.1
175.11166	1.9
175.14839	4.4
177.12794	2.4
179.10620	6.4
183.11662	2.4
184.05269	1.3
187.11281	1.5
187.14771	3.1
189.12733	1.6
189.16481	1.5
191.14369	2.8
196.13243	1.6
199.14865	5.3
201.12781	1.5
203.07033	11.9
203.14340	1.6
215.17969	2.9
217.15822	2.6
219.11974	2.0
219.13953	2.4
223.08304	1.7
233.15297	1.8
233.19078	1.6
235.16949	4.0
257.19061	5.8
261.05441	1.3
263.20102	1.9
275.17206	2.4
275.20084	21.3
293.08344	2.9
293.21149	43.5
293.28238	1.4
311.17188	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	12-OPDA
Peak:m/z	Relative Intensity
53.03942	5.2
55.01872	10.3
55.05516	22.8
57.03444	5.8
57.07074	7.5
59.05001	3.1
59.06894	2.4
60.78802	2.4
65.03943	2.8
67.05509	49.9
69.03445	3.5
69.07059	22.3
69.82213	15.3
71.04984	4.7
79.05503	49.1
79.73881	2.3
81.03414	10.1
81.07063	100.0
83.04990	9.8
83.08621	16.6
85.06533	4.6
89.57269	2.7
91.05488	35.3
93.07047	34.2
95.04974	17.6
95.08608	34.5
97.06531	9.6
97.10164	4.7
99.08162	2.8
105.07035	32.4
107.04977	12.2
107.08613	27.3
109.06537	27.4
109.10146	14.9
111.04454	8.3
111.08092	4.9
117.07034	13.3
119.08596	34.1
121.06502	6.2
121.10133	17.3
123.08074	11.7
123.11744	5.0
125.09598	4.1
129.07018	5.9
131.08559	17.7
133.10150	31.7
135.08102	5.9
135.11707	10.2
137.09613	15.2
143.08517	4.0
145.10132	15.1
147.08067	2.9
147.11705	18.0
149.09622	17.4
149.13298	6.1
151.11205	8.5
157.10130	3.2
159.11729	9.1
161.13298	3.9
163.11162	12.1
169.10092	3.8
171.11755	2.8
173.13210	7.6
175.11176	5.2
175.14915	3.1
187.14897	3.1
191.10683	3.3
193.12297	4.2
207.11926	2.7
209.11734	6.6
219.17450	3.6
229.19542	4.9
237.11282	8.4
239.18030	4.8
247.20702	9.7
257.19000	8.3
275.20090	71.7
293.18362	3.4
293.21222	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	6.4
55.01875	9.4
55.05518	18.5
57.03428	2.4
57.07079	3.0
65.03960	2.4
67.05508	32.4
69.03416	1.8
69.07072	18.9
70.12581	3.9
70.12961	1.7
71.04975	3.4
79.05500	36.0
81.03429	9.2
81.07059	100.0
83.04976	6.1
83.08630	12.4
85.02924	1.3
85.06540	2.0
91.05485	23.9
93.07049	24.3
95.04965	16.5
95.08610	20.7
97.06548	9.3
97.10160	1.8
99.08098	1.5
105.07042	26.4
107.04960	11.5
107.08605	15.2
109.06521	36.1
109.10154	10.3
111.08084	5.2
115.05434	1.7
116.65865	1.4
117.07011	7.8
119.08580	17.8
121.06503	4.1
121.10163	9.4
123.08073	7.9
123.11700	3.6
125.09635	3.7
129.06998	2.3
131.08563	11.9
133.10143	18.2
135.08041	4.0
135.11658	6.1
137.09604	4.7
143.08539	2.3
145.10124	9.4
147.08081	1.6
147.11707	14.2
149.09637	9.9
149.13269	4.9
151.11163	4.0
155.08638	1.4
157.10089	5.5
159.11667	6.0
161.09697	1.9
161.13297	3.4
163.11176	9.4
163.14783	2.4
164.89240	1.3
165.09148	1.2
165.12733	4.3
169.10132	2.3
173.09618	4.4
173.13214	2.4
175.11189	4.1
175.14772	1.5
177.12761	3.9
179.14345	1.5
187.11160	2.0
187.14838	1.7
193.12186	3.3
201.12727	1.4
215.14278	1.5
229.19504	2.4
239.17923	2.9
247.20604	5.4
247.52438	1.1
257.18964	7.4
268.79669	1.1
275.20078	51.5
293.17917	2.8
293.21124	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	4.9
55.01859	7.8
55.05513	29.0
57.03433	3.3
57.07064	1.7
58.51668	1.6
67.05510	51.1
69.03437	3.5
69.06732	2.1
69.07075	26.4
69.19056	18.2
71.04974	6.5
71.08588	2.2
79.05074	3.2
79.05496	51.4
81.03420	6.2
81.07063	100.0
83.05013	8.7
83.08611	14.8
85.06523	2.5
91.05489	38.6
93.06491	2.3
93.07048	36.1
95.04972	22.0
95.08617	32.6
97.06551	12.0
97.10184	8.5
105.07040	40.4
107.04962	11.2
107.08597	36.8
109.06523	23.1
109.10158	16.8
111.08064	5.6
115.05418	2.0
117.07007	11.8
119.08597	36.7
121.06523	5.1
121.10133	15.3
123.08058	19.3
123.11709	7.8
125.09611	7.0
127.07545	1.6
129.07008	5.0
131.08557	15.6
133.10155	22.2
135.08060	6.6
135.11682	7.2
137.05975	12.8
137.09583	10.1
143.08473	1.9
145.06517	2.6
145.10130	15.8
147.11702	17.1
149.09654	15.7
149.13185	2.8
151.11165	5.9
157.10098	5.3
159.11713	11.9
161.09586	2.6
161.13252	3.3
161.27914	2.1
163.11177	8.1
165.12733	4.4
171.11678	3.1
173.13252	5.4
175.11166	3.1
175.14821	1.8
177.12766	4.4
189.08592	1.8
189.11186	2.8
197.13289	1.8
201.12877	1.9
204.85258	1.9
215.17896	1.9
229.19562	4.2
239.17897	3.7
247.20627	7.7
257.19000	7.8
261.33237	2.2
275.20078	70.9
277.54141	1.7
293.21161	34.3
309.72739	1.8
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
53.03936	9.0
54.31303	2.1
55.01864	9.4
55.05517	27.0
57.03445	3.8
57.07066	8.0
57.07314	1.9
64.64957	2.3
65.03928	2.6
67.05508	53.4
69.07072	37.7
70.67433	5.0
71.04976	2.6
79.05501	43.6
81.03426	10.9
81.07062	100.0
83.04988	6.6
83.08635	12.8
85.06525	3.4
91.05484	39.0
93.07046	37.9
94.07281	2.4
95.04977	20.4
95.08615	33.2
97.06551	6.4
97.10155	5.6
99.08109	2.7
105.07035	44.3
107.04966	9.0
107.08609	24.3
108.73769	2.2
109.06526	25.2
109.10157	25.9
111.08081	5.3
115.07558	4.1
117.07020	10.6
119.07800	3.8
119.08598	38.0
121.06518	10.3
121.10139	14.3
123.08096	12.3
123.08845	2.2
123.11680	5.1
125.09630	3.1
127.73957	2.1
131.08575	16.4
133.10136	31.4
135.08052	7.2
135.11703	6.6
137.09648	15.5
141.01050	5.3
143.08568	4.0
145.10126	13.6
147.11725	14.7
149.09645	13.0
149.13213	4.3
151.11211	12.7
157.10118	5.0
159.11713	7.5
163.11180	6.8
165.12790	4.1
169.38951	2.3
173.13254	6.8
175.11206	4.9
177.12782	3.5
187.14828	2.5
197.07286	11.8
209.11734	2.6
229.19572	3.5
230.56425	2.1
233.19221	2.3
235.17039	2.2
237.11322	3.5
247.20618	7.3
257.19049	7.7
275.20074	65.1
276.20337	2.5
293.17831	4.9
293.21152	99.7
294.10257	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	5.9
55.01871	21.2
55.05272	2.1
55.05516	28.0
57.03435	4.1
57.07092	3.3
65.03932	4.1
67.05508	39.8
69.03431	3.2
69.06741	2.0
69.07078	20.6
69.71434	10.9
71.04967	4.1
79.05499	52.9
81.03403	7.6
81.06593	3.0
81.07059	39.1
83.04972	8.2
83.08629	14.7
85.06535	2.0
85.97703	1.6
91.05482	31.4
93.06496	2.4
93.07056	36.5
95.04976	12.5
95.08611	29.3
97.06541	17.5
97.10185	16.8
98.21463	2.4
99.00771	1.7
105.07040	40.4
107.04955	12.0
107.08602	76.2
109.06544	12.4
109.10166	15.8
111.04380	1.7
111.08060	4.2
114.95099	1.9
117.07024	9.9
119.07916	2.3
119.08607	21.3
121.06496	6.1
121.10153	15.7
123.08073	7.8
123.11690	3.7
125.09637	14.7
129.07014	4.8
131.08598	14.5
133.06517	2.2
133.10132	22.2
135.08037	7.0
135.11688	10.2
137.05954	4.0
137.09613	7.0
143.08623	2.5
145.10135	15.3
147.08014	2.0
147.11687	11.1
149.09642	23.1
149.13223	4.2
150.21262	1.9
151.11185	7.7
157.10132	3.4
159.11732	11.8
161.09570	2.3
161.13319	4.0
163.11177	7.8
165.09135	9.0
169.10135	1.9
171.10309	2.4
171.11674	4.4
173.13254	7.4
177.12695	4.5
179.14214	1.8
183.11722	3.6
185.13191	2.3
187.11206	4.4
189.11229	10.8
191.14313	2.1
217.11365	1.9
223.13341	2.2
229.19528	4.9
237.11186	4.1
239.17905	5.6
247.20546	6.6
248.20924	2.0
257.18961	13.6
275.20087	100.0
276.20413	2.8
293.18137	2.9
293.21167	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	3.1
55.01867	8.7
55.05512	29.5
57.03442	2.4
65.03941	3.5
67.05182	2.1
67.05508	27.0
69.03411	2.7
69.07072	11.8
71.04995	2.1
79.05492	48.0
81.03413	3.5
81.07059	24.5
83.04971	6.8
83.08617	14.6
85.06528	2.1
91.04909	2.0
91.05476	34.0
93.07047	26.7
95.04981	7.3
95.08607	14.7
97.06532	7.8
97.10169	19.2
105.06399	2.5
105.07037	33.3
107.04990	9.6
107.08598	100.0
109.06530	5.2
109.10141	10.0
111.08070	2.7
117.07020	8.1
119.06078	2.5
119.08585	16.0
121.06498	3.1
121.10146	9.5
123.08056	4.2
123.11736	2.8
125.09631	23.5
129.06987	2.6
131.08560	12.8
133.10136	18.3
135.08043	5.3
135.11682	6.3
143.08488	1.8
145.10144	14.1
147.11699	9.0
149.09633	20.4
149.13286	1.9
151.11194	3.0
151.33958	1.9
153.09097	2.6
157.10080	1.7
159.11710	7.3
161.13243	3.3
163.11237	3.5
165.09146	2.2
169.10007	1.6
171.11659	2.8
173.13283	4.1
177.12717	3.0
181.12181	3.6
189.11198	13.4
200.28804	1.4
229.19572	3.7
239.17871	4.5
247.20557	3.0
250.13690	1.5
257.18982	9.6
275.20071	73.7
293.21228	13.4
293.27878	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	6.9
55.01873	8.7
55.05513	28.6
57.03426	3.3
65.03931	2.7
67.05189	3.1
67.05510	42.5
69.03428	3.2
69.07074	22.2
69.63827	11.5
71.04974	3.9
79.05498	44.8
81.03429	9.3
81.06592	3.5
81.07063	61.4
83.04975	6.7
83.08624	14.5
85.06573	2.1
91.05489	34.0
93.07050	31.1
95.04974	17.1
95.08620	30.9
97.06539	12.3
97.10178	7.6
98.20759	2.3
99.08106	2.3
103.05476	2.1
105.07043	34.0
107.04971	9.5
107.08609	40.8
109.06544	15.2
109.10179	15.1
111.08086	5.4
117.07030	12.3
117.76587	1.9
119.08595	25.5
121.06496	4.4
121.10147	14.5
123.08080	6.9
123.11707	4.4
125.09638	9.8
129.07002	2.1
131.08566	13.2
132.82066	1.7
133.10133	20.4
135.08078	5.4
135.11690	6.2
137.09608	8.3
145.10106	16.7
147.08066	3.8
147.11702	19.0
147.77010	1.7
149.09633	14.1
149.13268	3.9
151.11203	5.2
157.10202	4.1
159.11731	8.5
161.09676	2.3
161.13271	4.6
163.11200	11.2
165.09120	7.3
169.10114	2.5
171.11697	2.3
173.13272	5.4
175.11171	3.4
176.18158	2.1
177.12796	2.1
183.11729	3.1
185.13319	2.1
187.11101	2.7
189.11194	4.7
189.12750	2.8
197.13182	2.4
201.12743	1.9
215.17949	2.1
229.19563	7.1
233.19016	2.2
239.17906	6.8
247.20528	8.6
257.18973	14.2
275.20081	100.0
293.21124	29.6
294.21164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.27571	0.9
53.03931	1.7
54.41402	0.9
55.01873	4.1
55.05516	12.4
57.03437	1.7
57.07095	1.9
57.23620	1.0
59.05018	1.1
64.53902	0.9
65.03958	1.8
67.05508	27.2
69.03417	2.2
69.07075	24.6
69.32195	8.6
71.05004	2.3
79.05499	17.5
81.07061	30.1
83.04991	8.4
83.08627	4.4
83.81632	1.0
91.05484	21.1
93.07050	24.9
95.04983	9.3
95.08615	18.9
97.06524	4.5
97.10159	2.6
105.07034	25.3
107.04953	6.8
107.08595	17.2
109.06528	10.1
109.10170	7.6
111.08090	2.1
117.07011	5.8
119.08585	15.7
121.06516	9.0
121.10131	8.2
123.08048	4.7
123.11710	3.6
125.09663	1.4
129.07039	2.0
131.08569	13.1
133.06516	2.6
133.10132	17.4
135.08049	5.3
135.11719	4.9
137.09608	2.3
143.08582	2.8
145.06456	1.2
145.10141	10.8
147.08057	3.0
147.11702	12.9
149.09595	3.5
149.13261	3.5
151.11218	8.0
155.08577	2.2
157.10118	3.1
159.07982	1.4
159.11685	6.5
161.09613	3.4
161.13293	3.5
163.11208	5.5
163.14775	1.0
169.10208	1.8
171.11647	1.1
173.09695	3.0
173.13268	3.8
175.11244	2.1
177.12685	1.7
183.11694	2.7
185.13345	1.4
187.11145	2.3
189.12843	1.3
191.14340	3.5
197.13289	1.5
198.40405	1.0
201.12730	2.9
207.13835	3.1
215.14345	1.7
219.13844	7.3
225.21703	1.1
229.19595	2.3
231.17430	1.8
239.17976	3.3
247.20615	3.2
257.18991	17.1
275.20078	100.0
276.20612	1.6
293.21121	27.1
312.75073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.30742	2.6
53.03930	3.5
55.01877	49.9
55.05515	44.4
57.07061	8.3
67.05503	54.9
69.03427	4.9
69.07066	22.5
71.04980	3.5
71.06528	6.6
79.05499	79.7
81.03419	12.1
81.07053	46.7
83.04961	8.0
83.08614	17.7
91.05478	31.3
93.07050	40.0
95.04960	13.7
95.08614	25.1
96.02388	2.6
97.06532	85.7
97.10175	16.0
105.07034	29.5
107.04960	33.5
107.08597	40.3
109.06530	5.5
109.10181	20.6
109.10802	4.2
111.04461	3.1
111.08086	7.1
114.10438	3.7
114.61263	2.9
117.07016	11.5
117.23859	3.0
119.08598	25.4
121.06504	7.7
121.10152	13.9
123.08099	6.2
123.11684	7.5
125.09634	22.2
131.08543	16.8
133.10133	21.9
134.70999	2.5
135.08049	7.2
135.11682	8.3
137.09634	4.6
139.07602	4.9
145.10143	12.5
147.11681	15.6
149.09624	54.8
151.11145	3.8
157.10094	4.5
159.11713	10.1
161.13217	9.3
163.11179	10.2
165.08952	3.4
173.13264	6.9
177.12766	4.9
179.14301	9.1
181.05016	3.7
187.11221	3.6
189.11247	13.7
206.31190	3.1
209.11699	6.6
229.19551	7.9
237.11369	13.8
239.18112	3.4
247.20586	8.5
257.18988	12.4
275.20074	100.0
293.21301	19.8
314.32639	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	5.6
55.01870	12.8
55.05507	27.1
57.03436	12.8
57.07076	4.3
64.58431	2.6
65.03928	3.8
66.29884	2.2
67.05183	2.7
67.05512	46.8
69.03438	3.1
69.07069	24.4
69.73280	2.0
70.30567	2.2
71.04984	4.4
72.09615	2.2
79.05502	49.5
81.03432	5.5
81.07057	49.3
83.04977	9.8
83.08620	15.0
85.06544	7.3
87.28519	2.5
89.27203	2.4
91.05490	38.1
93.07042	47.4
95.04975	16.1
95.08603	32.1
97.06000	2.3
97.06528	14.1
97.10172	11.4
98.20758	4.2
103.05466	2.8
105.07040	49.5
107.04961	7.9
107.08602	62.1
109.06520	11.8
109.10178	12.9
111.08092	6.6
114.53144	2.4
117.07011	13.8
119.08578	34.0
121.06519	5.8
121.10139	20.0
123.08098	10.0
123.11710	5.0
125.09640	7.5
129.07004	3.4
131.08560	19.8
133.10149	23.3
135.08057	7.1
135.11716	9.8
137.09604	8.8
143.08591	4.1
145.10144	22.2
147.08121	3.0
147.11688	17.7
149.09630	18.2
149.13269	3.2
151.11209	6.2
157.10094	4.2
159.11717	26.8
161.13272	9.9
163.07593	4.1
163.11201	7.2
165.09099	5.8
169.10228	3.6
171.11688	3.8
173.09579	4.1
173.11787	2.5
173.13263	8.5
177.05482	33.6
177.12796	4.0
178.06264	21.3
182.17773	2.3
182.35182	2.6
183.11719	4.3
185.13287	17.1
187.11185	6.7
189.08810	2.6
189.11206	6.3
189.12724	3.5
191.07062	8.9
197.13226	2.5
201.16368	6.8
203.14360	7.2
205.12234	4.7
219.13942	3.5
219.17448	38.2
221.15396	10.8
228.97261	2.8
229.19649	4.8
233.11751	33.1
239.18015	9.0
247.20660	4.9
257.19000	17.6
275.20090	100.0
293.17807	5.4
293.21088	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84199	5.5
62.54321	6.5
70.28609	19.1
70.28935	5.5
104.10715	10.0
108.30267	5.6
118.08645	8.8
119.08963	7.9
143.01941	10.2
157.03485	5.7
161.03032	14.6
206.99393	6.6
264.77899	7.0
293.06277	100.0
293.09103	13.2
304.78372	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	293.1385
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03936	1.5
55.05515	26.6
65.03942	2.5
67.05492	0.5
69.07069	0.7
69.24070	3.8
73.06174	0.7
73.06564	8.8
79.05489	1.1
81.07048	0.9
83.04935	0.4
91.05488	25.1
93.03368	0.5
93.07053	0.9
95.01311	0.4
95.08617	0.8
98.21556	0.9
103.05453	0.6
105.07045	0.8
107.08590	0.8
109.10165	0.8
119.04964	0.4
119.08562	0.7
121.02887	7.3
121.03977	1.0
121.10151	0.4
128.06227	0.6
129.07010	3.4
131.04907	0.6
131.08585	2.7
133.10075	0.4
134.07150	0.7
137.09637	0.4
139.07710	0.4
143.04909	1.1
145.10179	0.4
147.08080	0.6
149.02356	100.0
150.02678	0.6
157.06487	1.2
159.11641	0.6
161.02371	0.9
161.05995	5.7
163.11212	0.6
166.56125	0.5
167.03441	2.4
167.08488	0.5
175.07567	19.6
176.07732	0.5
181.01358	0.5
182.83498	0.4
185.06009	0.8
187.03900	0.4
191.08577	0.6
203.07053	22.3
215.03448	1.4
221.08138	0.8
265.08658	1.2
275.07214	0.6
275.12796	3.0
277.29382	0.5
293.08185	5.0
293.13553	2.4
298.44098	0.4
311.09137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1543
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
53.69401	0.2
55.01865	0.7
57.07056	0.3
67.05489	0.4
68.05820	0.3
69.07045	0.9
69.07378	0.2
71.01340	0.5
71.51340	0.3
71.51712	0.2
73.02896	0.7
79.05478	0.4
79.33460	0.2
81.07057	1.5
82.07390	0.4
83.08646	0.3
91.05482	0.5
93.07026	0.7
94.07374	0.3
95.08607	1.5
96.08923	0.9
99.00813	0.7
99.08092	0.3
100.08434	0.3
101.97591	0.2
103.26473	0.2
105.07034	0.4
106.07366	0.3
107.08560	0.7
108.08915	0.3
109.10161	0.8
110.10491	0.8
117.05753	0.3
118.06547	5.6
119.07343	0.3
119.08604	0.3
121.10123	0.7
122.10486	0.3
123.04420	0.7
123.11672	0.4
124.12036	0.6
130.06493	0.4
131.07314	0.3
131.08528	0.3
132.08084	3.0
133.08856	0.6
134.09641	0.4
136.12047	0.4
137.13365	0.2
144.08102	2.9
146.09653	1.9
147.10500	0.3
149.13213	0.3
150.13597	0.3
158.09650	1.0
159.10379	0.3
160.11208	0.9
164.15065	0.2
172.11218	0.6
174.12770	0.4
175.06268	0.4
176.14348	13.0
177.14705	0.9
178.16695	0.3
179.09250	0.2
188.07057	2.5
190.08632	9.1
202.08580	1.1
202.15909	12.6
203.09407	0.3
203.16318	0.4
204.10222	3.9
205.11008	0.6
216.06573	0.4
216.10173	1.0
218.11775	2.8
234.07620	5.2
246.14893	13.0
247.15526	0.4
248.09172	4.1
248.16437	6.7
248.18916	0.4
249.10042	0.7
262.10699	2.2
274.14328	1.9
275.14587	0.4
292.15421	100.0
292.26843	1.6
293.15872	1.2
310.30243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.47739	1.0
53.03933	3.1
55.01862	3.2
55.05515	24.4
56.75896	0.9
57.03441	1.7
57.06829	1.0
57.07077	9.8
57.08343	0.9
65.03920	1.6
67.05510	36.2
68.99783	2.2
69.01441	0.8
69.03407	2.6
69.07076	39.2
69.85849	4.7
70.06589	1.0
71.04969	1.7
71.08634	2.4
79.05065	1.7
79.05497	23.2
81.07063	100.0
82.07397	1.0
83.04976	1.4
83.08636	14.9
85.02886	1.7
85.06549	18.3
85.10170	1.5
91.05486	14.6
93.03413	1.2
93.07054	52.9
95.04951	4.0
95.08613	84.5
97.06527	3.3
97.10164	10.0
99.08102	14.2
105.07036	18.3
107.04933	1.3
107.08603	59.5
108.08886	1.0
109.06503	3.0
109.10167	54.2
111.04432	3.1
111.08113	4.8
111.11708	4.2
113.09639	5.0
114.10276	1.2
115.05459	1.5
117.07037	1.7
119.04951	5.5
119.05698	0.9
119.07805	1.6
119.08589	17.9
120.39678	1.0
121.06560	1.2
121.10155	38.6
123.04445	56.3
123.11718	26.4
125.09618	5.2
125.13304	1.2
127.11156	2.5
131.08609	1.5
133.06476	1.4
133.10141	11.6
135.11700	30.7
137.13275	9.5
139.03914	80.1
139.11179	2.5
140.04303	1.5
143.04942	1.7
145.10144	2.2
147.04419	18.1
147.08008	1.3
147.11696	10.7
149.13268	49.4
151.03928	2.6
151.14815	3.3
160.05019	1.6
161.06085	5.6
161.13297	8.7
163.03880	1.3
163.14832	35.0
165.05504	11.8
165.16515	1.3
173.72188	1.0
175.14827	6.1
176.14221	1.3
177.16400	13.0
179.06996	2.7
179.17981	1.1
181.15848	2.2
189.05486	2.1
189.16409	4.6
191.18013	5.9
195.17484	2.3
203.17979	4.6
205.19489	2.1
207.06496	3.6
209.19077	3.5
217.16158	1.1
217.19507	5.2
219.21144	1.1
221.19012	2.5
222.28456	1.0
230.62036	1.1
235.20552	3.4
247.24290	1.4
249.07587	2.0
255.21077	1.2
259.12817	1.8
272.89978	1.1
273.07745	1.2
273.22092	3.0
273.25726	7.8
291.08707	3.2
291.15686	2.2
291.19894	2.3
291.23248	6.0
291.26807	56.7
292.18970	1.2
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	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	1.9
55.05513	26.0
55.05776	0.9
56.96957	1.1
57.07080	7.8
65.03939	1.2
67.05508	34.5
68.32584	0.9
69.03428	2.6
69.07072	36.1
69.70654	6.6
70.06593	2.2
71.04992	2.2
71.08633	2.8
79.05492	20.0
81.03436	1.6
81.07059	100.0
82.06573	2.7
83.04960	2.1
83.08145	1.6
83.08616	18.2
85.06548	17.5
85.10158	1.0
91.05486	13.4
93.07047	46.8
93.07641	2.2
95.04955	4.1
95.08610	79.3
97.06517	2.7
97.10184	10.6
98.21581	2.2
99.08101	14.2
100.07587	1.5
100.11259	5.6
105.07032	16.0
107.04937	1.1
107.08600	55.9
109.06511	2.3
109.10162	51.1
110.06028	3.0
111.04442	3.7
111.08069	5.3
111.11721	5.5
111.83804	1.0
113.09638	4.6
118.35918	0.9
119.04933	1.9
119.08591	15.6
121.10149	39.9
123.04432	25.4
123.08026	1.3
123.11712	28.2
125.09625	3.2
131.08571	1.3
133.10120	10.7
135.10695	2.0
135.11702	29.3
136.04689	1.0
137.13255	10.9
139.03911	36.8
139.11156	2.5
141.11491	2.3
143.04918	1.6
147.04395	9.4
147.11697	8.3
149.12047	2.4
149.13263	49.6
151.03915	1.7
151.14806	4.2
154.12190	1.1
155.11227	1.7
161.05952	3.5
161.13289	8.8
163.14825	31.5
165.05559	5.2
165.16360	2.0
169.11052	1.4
175.14876	5.2
176.14328	2.9
177.16365	11.7
179.07057	1.8
179.17972	1.1
181.15863	3.2
182.15404	3.9
189.16406	3.6
191.17929	7.4
193.15900	1.6
195.17468	2.4
199.18050	2.2
203.17975	4.6
204.66449	3.1
205.19621	1.6
207.06541	2.2
209.16446	1.8
209.18971	2.3
210.14893	2.7
217.19556	4.8
218.66269	4.7
221.19022	2.8
231.21281	1.7
233.22577	1.8
235.20525	5.0
247.18143	1.1
247.24252	1.5
273.07562	1.2
273.25732	7.3
274.14157	1.3
291.13290	1.6
291.16946	2.4
291.26816	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2685
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03948	2.6
55.01865	4.8
55.05517	18.0
57.03435	4.3
57.07082	7.9
59.05009	1.8
65.03946	2.4
67.05508	25.9
68.99794	1.6
69.03426	3.0
69.07072	25.1
70.06572	3.1
70.15388	5.8
71.05003	3.5
71.08638	7.0
72.08918	1.2
74.45010	1.5
79.05497	19.1
81.03420	9.9
81.07063	51.4
83.04982	5.0
83.08632	11.5
85.02934	3.2
85.06576	1.7
91.05485	19.2
93.03422	1.6
93.07046	29.2
93.85382	1.4
95.04984	13.2
95.08615	52.0
97.06557	3.0
97.10153	6.4
98.98463	2.1
99.08096	2.7
105.07052	22.7
107.04973	3.4
107.08601	20.3
109.06530	7.3
109.10169	22.7
111.04443	4.2
111.08111	4.2
111.11731	3.0
112.07639	1.6
115.05458	2.6
117.07015	4.6
119.04939	7.0
119.08589	14.5
121.06547	2.5
121.10146	19.5
123.04436	68.5
123.08073	4.5
123.11704	15.5
125.06015	1.4
125.09641	1.6
127.03893	2.0
129.07050	1.9
131.08562	3.8
133.06505	3.8
133.10152	12.8
135.08064	7.1
135.11708	13.6
137.09612	3.0
137.13248	5.0
139.03909	100.0
140.04245	1.5
143.04942	4.5
143.08595	2.6
145.10129	5.9
147.04414	27.0
147.08063	3.6
147.11708	14.6
149.09665	1.8
149.13243	8.8
151.03932	3.8
151.07509	4.3
151.11243	3.2
151.14859	2.1
157.10127	2.3
159.08058	2.2
159.11714	2.9
161.05998	7.6
161.09561	2.2
161.13297	7.4
162.12807	3.8
163.03879	1.9
163.14861	7.3
165.05498	17.3
165.06792	2.6
165.12726	3.6
165.16370	1.4
167.08635	1.3
169.05032	1.8
171.11739	1.7
175.11256	1.6
175.14880	3.9
177.05554	2.6
177.16438	3.6
179.07021	3.6
179.14352	1.8
179.17874	2.1
189.05482	3.6
189.12755	1.8
189.16415	3.3
191.17896	1.5
203.17973	2.8
207.06503	7.9
207.13826	1.5
217.19482	3.4
255.17502	1.2
273.07626	1.5
273.18460	9.1
273.25800	15.0
291.08740	4.5
291.16360	2.2
291.19620	19.5
291.23111	3.0
291.26779	42.2
292.15518	2.5
307.15323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03941	2.6
55.01864	2.0
55.05271	1.9
55.05513	24.6
57.07080	8.4
65.03943	3.2
67.05186	2.1
67.05511	30.1
67.74368	1.2
69.07071	36.5
69.94115	6.8
71.04990	1.3
71.08624	3.1
76.56600	1.2
79.05499	23.6
81.07063	100.0
82.07383	2.2
83.04968	1.7
83.08624	15.9
85.06543	17.4
91.05495	12.1
93.07051	48.0
95.04944	3.8
95.08613	78.1
97.06530	1.6
97.10154	11.0
99.08078	12.7
103.13433	1.3
105.07027	16.9
107.08601	60.4
109.10164	51.2
111.04427	2.4
111.08093	3.8
111.11700	5.7
113.09624	4.5
115.05457	1.5
119.04937	4.4
119.08587	16.4
121.10152	37.1
123.04438	43.7
123.11721	26.3
125.09608	4.4
127.03847	2.4
133.10143	10.6
135.11697	29.5
135.59389	1.5
137.13260	6.5
139.03908	61.9
143.04951	2.1
147.04431	13.4
147.11700	7.6
149.13271	45.8
151.14799	3.3
159.11562	1.3
160.05037	2.5
161.05978	4.1
161.13298	9.6
163.14842	32.6
165.05515	9.9
175.14833	5.0
177.16342	11.1
181.15909	1.8
189.16331	4.0
191.17921	3.7
195.17470	3.3
203.17932	3.4
207.06511	3.7
209.18999	2.8
217.19490	4.2
221.19049	2.2
231.21327	1.4
235.20529	4.6
254.93506	1.4
259.12604	3.9
264.57523	1.4
273.22284	2.9
273.25760	6.3
291.15552	2.6
291.19894	1.6
291.23233	4.8
291.26810	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03931	3.8
54.05270	1.9
55.05517	21.5
57.07078	2.8
60.06367	2.2
60.75204	2.0
66.24382	2.2
67.05180	4.0
67.05512	48.0
69.07078	20.7
73.06593	2.4
77.13931	2.1
79.05499	79.4
81.07064	52.9
83.08617	10.7
85.06551	3.5
91.05479	34.0
93.07050	100.0
95.04958	4.9
95.08616	32.1
97.10186	5.3
105.04494	2.6
105.07035	17.4
107.08604	62.0
109.06551	3.1
109.10149	12.1
116.19685	3.4
117.07008	5.9
119.08591	14.4
121.10154	47.1
123.11704	2.7
129.06999	4.8
131.08578	6.9
133.10139	15.7
135.08064	3.6
135.11705	57.7
137.09665	3.1
138.26891	2.0
143.08554	2.8
145.10106	4.1
147.11716	11.8
149.09653	3.0
149.13277	30.1
157.10153	3.4
159.11714	4.0
161.13237	8.1
163.11099	3.0
163.14845	7.9
171.11699	3.4
173.13206	2.9
175.14825	4.2
177.12682	3.0
185.13283	2.5
189.12730	2.2
199.14708	2.6
215.15395	2.5
221.15359	3.4
231.17374	2.7
241.19615	6.2
259.20718	11.4
261.80984	2.9
265.60342	2.2
291.19574	6.6
291.23148	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.20869	0.7
52.40158	0.8
52.62593	0.6
53.03941	2.1
55.01862	2.1
55.05269	1.0
55.05513	13.8
57.07083	5.3
59.43571	0.8
65.03925	1.3
67.05176	1.3
67.05505	18.0
69.07071	26.2
69.28723	2.0
69.29134	4.7
70.06571	0.8
71.04987	1.3
71.08635	2.0
72.04519	11.4
79.05493	12.1
79.86855	0.8
81.07059	48.7
83.08150	1.0
83.08620	11.3
83.97893	0.7
85.02895	1.0
85.06545	10.4
85.10199	1.0
91.05493	6.7
93.07043	22.6
95.04957	1.3
95.08611	47.6
97.06536	2.7
97.10168	7.1
99.00822	1.1
99.08084	5.8
99.27196	0.9
105.07040	7.5
107.08603	27.0
109.10162	36.1
111.08089	6.6
111.11710	5.5
113.09637	1.8
117.06985	1.3
118.06557	16.1
119.04942	1.0
119.08578	7.1
121.06525	0.7
121.10145	20.0
123.04436	29.6
123.11715	19.7
125.09638	4.4
132.08092	5.8
133.10136	5.4
134.09680	0.8
135.11700	16.4
137.13255	9.9
138.09128	0.9
139.03906	17.0
139.11177	2.4
143.34123	0.7
144.08115	7.9
146.09673	5.0
147.04402	3.9
147.11688	5.4
149.13261	20.0
151.11159	1.0
151.14781	2.2
153.12770	3.3
158.09686	1.9
160.11157	1.5
161.05977	1.5
161.13278	3.2
163.14839	13.4
165.05496	4.2
165.16386	1.7
167.14293	1.6
169.04926	1.3
172.11197	1.6
175.14825	2.4
176.14359	63.6
177.14790	1.3
177.16368	8.3
181.15866	2.3
187.08644	1.2
188.07111	4.0
189.10248	1.9
189.16403	2.2
190.08647	10.2
191.17947	4.8
195.17336	0.9
200.54849	0.9
202.08687	1.4
202.15921	36.0
203.17996	2.2
204.10284	4.5
205.19562	2.5
207.06569	2.1
207.17563	1.0
209.18968	1.6
217.19481	2.1
218.11766	3.2
221.19012	2.6
229.17076	2.6
234.07600	5.4
235.20561	3.2
245.16502	6.9
246.14905	14.7
247.18054	15.6
247.24068	4.3
248.09236	5.2
248.16434	8.0
249.10011	1.5
249.73357	1.0
262.10736	2.4
273.15967	3.9
273.25876	3.3
274.14395	20.2
291.17053	47.9
291.26825	40.4
292.15424	100.0
302.33243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01864	3.7
55.05514	16.1
57.03443	1.1
57.07069	2.1
65.03951	1.7
65.45084	0.8
67.05511	29.5
69.03436	1.7
69.07079	15.1
69.32215	2.8
69.32633	4.6
71.04990	1.6
73.06593	1.3
79.05499	50.4
81.03398	0.9
81.07066	38.5
83.04976	2.4
83.08630	8.9
85.06536	3.6
91.05487	25.5
93.07053	70.6
95.04983	7.4
95.08612	22.6
97.06516	3.6
97.10172	5.5
105.04562	1.5
105.07034	18.2
107.04948	4.0
107.08603	38.2
108.08915	0.9
109.06497	4.3
109.10171	10.2
111.08067	1.9
117.07037	6.5
119.04957	3.5
119.08589	14.1
120.05717	2.4
121.06523	4.2
121.10151	31.3
123.04410	2.8
123.08070	2.2
123.11684	2.9
125.09603	2.5
129.07016	2.6
131.08568	6.7
133.06496	4.0
133.10136	9.7
134.07275	3.1
135.08064	6.6
135.10707	2.1
135.11703	33.5
139.03925	4.3
143.08551	3.7
144.09290	0.9
145.10170	5.0
147.04396	2.7
147.08095	5.0
147.11687	6.6
149.09685	4.2
149.12059	1.0
149.13272	20.1
151.07558	2.2
157.10120	3.2
159.11694	2.6
161.09613	2.5
161.13289	6.4
163.11197	2.2
163.14845	6.9
171.11702	2.8
173.13287	3.1
175.11232	2.2
175.14859	3.2
177.12743	2.2
185.13269	2.3
187.14874	1.0
189.12718	1.8
199.14848	1.6
209.15422	1.2
217.15906	1.2
217.19577	1.5
223.13284	1.4
231.17490	1.2
235.13383	1.3
235.16904	1.6
241.19429	2.9
249.14830	6.4
249.18581	2.2
259.20605	5.3
273.18457	3.7
291.19553	100.0
291.23126	35.6
311.18228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03944	3.3
55.01867	4.1
55.05516	24.7
55.24070	1.5
57.07087	7.5
59.04985	1.7
67.05508	25.1
67.41138	1.2
69.03429	6.6
69.07069	37.4
69.41827	10.6
71.05034	3.2
71.08633	3.4
79.05499	23.9
79.11939	1.5
81.07060	42.4
81.99146	1.3
83.04995	7.5
83.08627	16.5
84.98887	1.6
85.02913	2.0
85.06558	1.6
91.05477	17.2
93.07046	41.1
94.30464	1.4
95.04980	5.5
95.08607	40.7
95.09174	2.5
97.06527	4.3
97.10175	8.8
105.07040	28.3
107.04957	3.9
107.08598	29.9
109.06525	28.9
109.10156	24.8
111.08089	5.4
111.11719	5.8
113.09633	1.7
115.05434	1.7
117.07066	3.0
119.04939	2.5
119.08577	17.6
121.06499	2.0
121.10150	45.3
123.04441	22.5
123.08083	6.6
123.11735	9.3
125.09641	9.0
129.06938	1.5
131.08594	5.4
133.06503	5.7
133.10138	10.2
135.08072	10.7
135.11678	10.6
137.09653	4.4
137.13255	2.4
139.03911	33.4
139.11180	3.8
142.07817	1.8
143.08600	1.9
145.10143	4.5
147.04416	9.1
147.11728	10.2
149.09650	15.2
149.13275	5.6
151.07549	5.5
151.11287	2.5
151.14883	1.6
156.09343	1.9
157.10146	6.5
159.08057	2.7
159.11694	2.3
161.05980	2.6
161.09645	1.9
161.13264	5.9
162.12729	1.5
163.11172	2.6
163.14844	4.4
165.05499	5.8
165.12730	1.5
167.10681	100.0
171.11729	2.6
173.13301	9.0
175.11229	5.2
175.14748	2.7
177.16368	1.5
179.17952	2.6
189.12749	3.9
189.16388	2.1
191.10680	11.0
191.14322	4.6
197.13206	2.8
203.17982	1.8
207.06621	2.4
215.14375	4.1
217.12195	2.8
217.19453	1.7
233.15413	17.8
249.18480	1.8
255.17357	2.7
273.18445	10.1
273.25739	9.3
291.16455	2.8
291.19556	25.3
291.22708	2.4
291.23367	2.3
291.26773	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.77965	3.3
53.03939	12.8
55.01870	12.3
55.05517	54.9
57.03447	4.1
57.07080	4.6
58.80820	4.0
65.03964	4.4
67.05505	49.8
69.03415	8.5
69.06786	3.2
69.07080	35.1
71.04998	8.3
71.15792	6.3
79.05498	89.2
81.07063	82.3
83.04993	8.7
83.08635	20.6
85.06580	4.4
90.14716	4.6
91.05486	100.0
93.07048	72.9
95.04947	18.7
95.08044	6.4
95.08603	51.7
97.06516	12.3
97.10183	13.5
103.05460	5.2
105.04533	3.5
105.07040	89.5
107.04972	11.9
107.08600	38.3
109.06532	15.7
109.10150	7.8
111.08111	20.6
115.05459	9.9
116.06213	4.5
117.07021	46.6
119.04959	9.0
119.08578	50.3
121.06517	15.5
121.10159	31.2
123.04435	24.0
123.08082	23.4
123.11726	3.8
125.09634	6.4
128.06215	14.3
129.06992	26.7
130.07780	9.6
131.08575	88.2
133.06465	9.6
133.10141	29.1
135.08063	16.5
135.11682	15.3
137.09659	5.1
139.03912	37.2
139.07539	4.4
139.11177	12.3
141.06990	5.7
142.07846	6.7
143.08575	57.0
145.10121	84.6
147.04448	5.3
147.08084	16.8
147.11693	15.8
149.09633	13.1
149.13248	6.3
151.07541	48.0
155.08556	8.5
157.10139	24.6
159.08070	6.6
159.11729	18.3
159.92950	3.5
161.09651	13.7
161.13217	5.2
163.11221	9.7
169.10126	14.5
171.11716	13.3
175.11183	7.5
179.10718	4.7
181.10129	4.2
183.11693	8.6
185.13286	10.6
189.12759	14.3
195.11682	10.0
197.11789	5.0
199.11226	4.3
207.13853	32.5
213.16521	4.8
227.17963	6.7
229.94928	3.6
233.15334	10.9
237.16431	11.3
245.19048	6.7
255.17447	8.2
263.20313	4.0
273.18500	46.7
291.19519	55.1
291.26904	4.6
302.45847	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	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.26244	1.1
50.43760	1.1
52.67660	1.2
53.03915	1.6
55.05519	7.9
57.03414	1.3
57.07066	3.4
59.04983	3.4
67.05486	4.8
69.03433	2.6
69.07070	1.7
71.04971	3.8
71.24602	2.2
79.05496	8.2
81.07063	7.8
81.23837	1.2
83.04973	2.5
83.08614	6.0
85.06518	2.3
85.87051	1.2
91.05472	4.9
93.07043	12.1
95.04971	5.8
95.08609	13.9
97.06521	4.3
105.07040	9.2
107.04964	10.8
107.08601	7.9
109.06523	6.1
109.10146	3.0
111.08089	39.1
117.07040	1.5
119.08559	7.0
121.06491	2.7
121.10130	5.5
122.07349	1.7
123.04381	2.3
123.07211	2.5
123.08072	35.4
125.09625	1.7
126.37668	1.5
129.07060	1.5
131.08577	5.8
133.06493	3.2
133.10146	7.3
135.08060	5.0
135.11684	2.3
137.09659	2.0
139.03923	3.6
141.05441	1.4
143.08612	1.6
145.10103	4.8
147.08080	2.4
147.11671	6.5
149.09624	6.0
151.07550	100.0
157.10123	3.0
159.08043	1.8
161.09697	1.9
163.11150	3.3
171.11671	3.2
173.13245	5.8
174.10396	3.2
175.11205	3.9
177.09106	2.6
178.44447	1.3
179.10693	4.5
181.12224	2.0
189.12755	23.6
191.14357	10.7
192.11449	4.1
197.11726	13.1
197.13303	2.1
207.13806	60.7
213.16399	2.1
215.14334	4.0
217.12248	3.2
231.17570	1.9
233.15375	27.7
235.13367	2.7
249.18504	1.6
267.58002	1.3
273.18536	4.8
283.05701	1.5
291.19568	47.3
300.50418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.40981	0.7
53.03941	1.3
53.20597	0.6
55.01872	1.3
55.05513	4.4
57.03421	1.0
57.07070	2.9
59.04993	2.9
67.05513	5.4
69.03429	2.2
69.07062	1.9
70.22593	1.3
71.04989	3.0
79.05504	4.9
81.07061	7.8
83.04974	2.7
83.08615	3.8
85.06537	2.2
88.07644	1.6
91.05482	4.8
93.07045	10.7
95.05009	4.0
95.08059	1.1
95.08610	13.4
97.06523	2.4
98.44429	0.8
105.07044	9.8
106.61701	0.7
107.04949	6.2
107.08593	7.1
108.05753	1.4
109.06514	6.9
109.10137	3.6
111.08083	28.0
113.05983	1.0
113.09659	1.5
117.07016	2.0
119.04926	0.8
119.08584	8.5
121.06496	2.2
121.10165	5.7
122.07285	1.6
123.04448	3.6
123.08070	39.3
123.11705	0.8
125.06051	0.7
125.09616	1.2
129.06984	1.8
130.07779	1.0
131.08551	7.1
133.06487	2.6
133.10133	7.1
135.08034	6.8
135.11694	4.4
137.09613	4.5
139.03899	4.0
139.11119	0.7
141.92194	0.9
142.07805	1.6
143.08546	2.7
144.09341	1.1
145.10130	14.4
147.04440	0.8
147.08044	3.3
147.11740	5.6
149.09645	5.9
151.07547	100.0
153.09073	1.1
155.10620	1.7
156.09343	1.9
157.10127	3.7
159.08047	2.5
159.11636	3.7
161.09616	3.7
161.13274	3.0
163.11176	3.3
165.09138	0.9
169.10114	0.9
171.11644	4.1
173.09608	1.9
173.13278	5.1
174.10397	1.2
175.11201	3.6
177.09116	1.8
177.12764	1.9
179.10735	4.4
181.12234	1.5
183.11772	0.9
187.11176	2.5
187.14778	1.3
189.05635	0.8
189.12749	29.6
189.14462	1.5
191.10728	1.1
191.14343	5.1
192.11430	4.6
197.11731	15.2
197.13300	2.0
203.14339	2.0
205.12212	0.9
205.15912	0.8
207.13808	69.3
213.16409	2.5
215.14371	4.3
217.12228	3.1
229.23528	3.9
231.17416	1.7
233.15382	14.5
235.13358	1.7
255.17508	3.0
273.18463	7.6
291.19543	43.9
291.27106	9.8
292.20062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03939	3.4
55.01631	1.5
55.01878	21.3
55.05513	15.1
57.03443	14.1
57.07077	1.5
59.27298	1.1
61.99852	1.1
64.11372	1.3
65.03931	1.7
67.05507	16.5
69.03423	3.4
69.07059	5.0
71.04994	2.2
71.50481	1.3
72.60484	1.1
79.05500	34.2
81.03414	2.3
81.07056	14.7
82.27335	1.4
83.04973	2.9
83.08625	5.7
85.06534	3.8
91.05486	32.4
93.07058	18.9
95.04959	6.4
95.08614	8.7
97.06554	2.6
97.10181	3.2
105.07036	19.6
107.04957	11.1
107.08601	22.7
109.06526	60.0
109.10181	4.1
115.05434	2.6
116.06312	1.6
117.07018	12.7
119.04896	2.0
119.08596	9.3
120.05753	1.4
121.06498	6.2
121.10152	5.3
123.08097	2.6
125.09649	1.7
128.06181	1.9
129.07025	8.2
130.07791	1.7
131.08589	16.3
133.06503	3.9
133.10138	4.8
134.07225	1.6
135.08063	89.6
135.11703	4.0
143.08592	6.6
145.10146	6.9
147.08075	5.5
147.11734	2.4
149.09619	8.3
149.13173	1.4
157.10135	6.5
159.08063	2.7
159.11694	5.0
161.09668	7.0
161.13237	1.5
163.11168	2.2
171.11717	3.0
175.11263	2.2
181.10109	1.5
183.11716	1.8
189.12691	1.9
199.11159	2.0
199.14864	3.4
201.12769	1.8
213.12730	1.4
217.15889	15.4
227.17926	1.7
245.18942	1.7
249.14888	2.7
255.17464	2.7
262.15598	1.4
273.18512	22.5
291.19568	100.0
292.19943	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	2.7
55.01624	2.3
55.01874	22.1
55.05511	13.4
57.03442	14.8
61.05754	1.1
65.03949	1.8
67.05505	20.7
67.99809	1.2
69.03443	2.4
69.07080	7.4
71.05034	1.3
71.50606	2.0
73.44705	1.3
75.23976	1.2
79.05498	40.4
81.03414	2.0
81.07063	22.3
83.04979	1.2
83.08630	4.1
85.06557	3.0
91.05486	32.9
91.06024	2.2
93.07044	22.7
93.07632	1.4
94.04230	1.5
95.04983	7.6
95.08615	10.0
97.06561	4.5
97.10190	3.8
98.09348	1.1
105.07039	19.5
107.04971	10.0
107.08607	25.8
109.06524	67.3
109.10166	4.0
115.05509	2.8
117.07036	12.3
119.06086	1.1
119.08599	11.8
121.06523	5.5
121.10155	4.1
122.07311	1.3
123.08104	3.9
128.06227	1.9
129.07011	6.0
131.08583	15.2
133.06531	2.5
133.10141	6.4
135.08064	100.0
135.11703	4.1
139.03923	1.5
141.06992	1.9
143.08578	7.9
145.10115	8.6
147.08058	6.0
147.11749	3.1
149.09616	9.1
149.13268	1.7
151.07535	1.4
155.08571	1.6
157.10161	6.4
159.08080	2.7
159.11742	4.2
161.09625	8.5
161.13293	2.0
163.11226	2.2
165.12796	4.5
169.10112	2.0
171.11726	3.9
173.09657	1.7
173.13295	2.0
175.11336	2.0
177.09032	1.3
177.12793	2.2
183.11745	1.8
185.13293	2.5
189.16396	1.4
195.11751	1.5
199.11206	1.5
199.14853	4.1
201.12764	1.8
211.14769	1.5
217.15878	18.9
227.17870	1.7
237.16275	1.4
245.18964	1.8
249.14922	1.5
249.18524	2.3
255.17480	3.8
273.18509	21.3
291.19595	70.7
291.23123	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	291.1704
Annotation	CL 22T
Peak:m/z	Relative Intensity
53.78666	0.6
55.01889	0.6
55.05501	0.5
55.73166	0.4
56.61318	0.5
68.45814	0.6
71.47930	0.9
72.04519	26.1
88.04014	1.1
98.02412	0.6
99.00798	0.8
116.03442	0.8
118.05717	0.9
118.06552	13.4
123.04442	1.8
132.08115	5.9
133.08911	2.6
134.09647	1.1
139.03899	3.3
144.08099	6.8
146.09668	4.4
147.04411	0.8
158.09676	2.6
159.10443	0.9
160.11250	0.8
165.05486	1.0
172.11246	1.3
174.70276	0.6
176.14355	100.0
177.14642	1.0
187.08643	1.6
189.10255	1.8
202.15915	39.1
203.11816	1.1
204.12556	0.8
217.13362	1.6
229.17047	6.6
245.16505	13.4
246.14871	2.0
247.18071	35.3
273.15967	9.2
274.14374	39.7
291.17038	93.1
292.17273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.91848	0.4
53.03925	0.7
55.01873	4.4
55.05267	0.6
55.05512	7.8
56.60742	0.4
57.03444	2.4
57.07057	0.4
59.05000	0.6
65.03933	0.7
67.05185	0.4
67.05507	6.3
69.03415	1.4
69.07072	3.4
69.59210	0.4
71.04990	1.0
79.05074	0.6
79.05497	10.5
81.03407	1.1
81.03870	0.3
81.07055	7.5
83.04975	1.4
83.08624	3.4
85.06528	0.6
89.06030	0.4
91.05476	10.6
93.07043	7.7
94.04204	0.4
95.04987	2.5
95.08598	3.1
97.06509	0.5
97.10188	3.2
105.04527	0.7
105.07035	8.0
107.04295	0.5
107.04961	4.0
107.08595	5.9
109.06522	8.3
109.10151	1.6
111.08072	0.6
115.05454	0.8
116.06243	0.6
117.07019	3.0
117.40744	0.4
119.04952	1.6
119.08588	4.7
121.06504	2.8
121.10149	2.2
123.04401	1.3
123.08064	1.5
125.09625	1.6
128.06218	1.1
129.07010	2.1
129.07834	0.4
131.08557	5.0
132.05711	0.4
133.06509	4.1
133.10136	1.4
134.07231	1.3
135.08061	12.9
135.11745	0.6
137.09596	0.7
139.03880	1.5
142.07841	0.4
143.08537	2.1
144.16895	0.4
145.06462	0.7
145.10127	2.9
147.08057	3.7
147.11656	1.0
149.09639	1.9
149.13280	0.6
157.10085	1.6
159.11713	1.5
161.09601	1.5
161.13242	0.5
162.10437	0.9
163.11203	1.3
171.11736	1.0
175.11200	1.0
217.15881	2.7
217.38487	0.5
223.13371	0.8
245.19061	0.8
249.14914	2.6
255.17407	0.6
262.15625	0.4
263.20328	0.5
273.18454	5.1
291.19547	100.0
292.19919	1.2
300.91672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0977
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
52.81294	0.8
53.03942	1.0
55.01860	3.2
55.05502	2.9
65.03923	1.1
67.05493	3.6
68.99790	2.6
69.07043	0.9
70.06591	2.3
71.41825	1.0
71.50822	0.9
79.05512	2.0
80.12563	0.9
81.07048	2.4
82.06573	1.8
83.05001	1.8
83.08601	1.7
85.02860	1.1
87.00852	1.1
88.03976	1.1
91.05489	4.1
93.03406	1.7
93.07079	1.2
95.04964	2.1
95.08616	1.1
97.02882	1.4
97.06557	1.3
98.98515	1.0
100.11259	3.9
105.03432	1.0
105.07019	2.7
107.04969	1.2
110.05992	1.3
111.04425	3.9
115.05461	6.7
117.05782	1.2
117.06970	1.0
118.06539	7.5
119.04954	7.2
121.10171	1.5
123.04436	71.9
123.57156	1.0
124.04839	0.9
126.08996	1.0
127.03908	1.5
128.07072	1.3
129.06970	1.6
130.06535	59.3
131.08559	0.8
132.07072	1.2
132.08095	24.7
133.06482	1.0
133.10126	1.1
135.04402	1.3
137.02319	1.2
137.05948	1.0
139.03911	100.0
141.11476	2.4
142.06525	8.2
143.04930	3.7
143.07321	1.2
143.54930	1.0
144.08098	5.7
145.06511	1.1
146.06006	14.3
147.04419	23.6
151.03893	3.3
156.08095	3.1
157.07602	3.3
158.06059	1.7
158.08405	3.6
159.09189	53.6
160.07600	5.2
161.06003	9.6
163.03915	1.8
165.05479	15.8
167.06099	1.7
169.07628	2.5
170.04636	1.8
170.06017	22.2
172.07585	1.5
176.14330	2.3
179.06995	3.5
181.07704	1.3
182.15387	2.0
183.09186	3.3
184.07578	9.9
185.07108	26.7
187.08693	2.3
188.07079	25.7
189.05362	2.1
199.08675	1.5
199.18071	1.4
200.07039	5.2
201.10260	8.4
207.06511	6.4
210.14874	2.4
211.08604	1.2
218.66220	2.1
227.05966	1.9
227.08167	25.5
229.09738	2.2
231.07748	2.7
245.09232	49.2
249.07632	1.9
255.07634	1.4
273.08582	4.8
273.12256	2.0
291.08740	5.9
291.13269	2.3
291.23227	1.0
308.03284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12186	0.4
51.02378	0.5
55.01868	1.3
65.03921	1.3
66.60410	0.4
67.05499	2.2
68.99794	2.3
69.03435	0.5
70.65515	1.2
83.04996	1.5
89.74727	0.4
91.05499	2.7
93.03413	1.8
95.05003	3.0
97.02847	0.5
105.06993	0.6
111.00789	0.4
111.04475	2.7
115.05463	1.2
119.04955	6.9
123.04437	66.7
127.03927	1.6
131.04971	0.5
133.06526	1.6
137.02409	0.8
137.05988	1.2
139.03914	100.0
140.04286	0.7
143.04895	2.9
147.04422	21.8
151.03979	2.8
151.07547	0.5
153.05458	0.6
161.05997	7.5
163.03923	1.4
165.05490	14.6
169.04980	1.4
177.05475	0.7
179.07088	2.1
181.04955	1.0
189.05464	2.0
207.06570	6.0
221.01262	0.5
249.07512	1.1
264.70813	0.5
273.07602	1.3
291.08649	5.1
312.91434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01873	1.1
65.03943	1.4
67.05503	1.5
68.99787	1.8
70.65888	1.3
77.03932	0.7
83.04990	0.8
85.02914	0.6
91.05477	1.8
93.03413	1.6
95.04967	2.8
105.03372	0.8
105.07026	0.7
109.05694	0.4
111.00839	0.6
111.04443	3.1
115.05451	0.9
119.04957	5.0
123.04438	66.6
127.03917	1.4
133.06517	0.9
135.04433	0.5
137.02284	0.9
137.05945	0.5
139.03912	100.0
140.04271	0.7
143.04933	2.2
147.04422	20.9
151.03935	2.8
151.07523	0.6
161.05978	7.4
163.03862	2.0
165.05495	15.5
165.06908	0.8
169.04961	2.0
176.51225	0.4
177.05470	0.6
179.07066	2.9
181.04993	1.0
189.05463	2.0
207.06555	6.8
220.63814	0.4
231.06616	0.7
249.07608	1.1
273.07623	1.0
291.08600	5.4
307.12189	0.4
311.24063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03953	0.4
55.01867	1.5
58.14396	0.4
65.03944	1.3
67.05499	1.5
68.99795	2.0
69.03418	1.0
70.69890	1.3
77.03941	0.6
81.03423	0.5
83.04987	1.5
85.02873	0.6
91.05459	2.3
91.11650	0.4
93.03404	1.4
94.07405	0.4
95.04971	3.0
97.02881	0.8
103.05410	0.7
105.03372	0.6
105.07054	0.5
111.00800	0.5
111.04441	3.6
115.05467	1.7
119.04948	6.2
121.02873	0.5
121.06513	7.6
122.06852	7.7
123.04436	67.9
127.03909	1.3
130.68945	0.4
133.06528	1.0
135.04416	0.8
137.02333	1.0
137.06038	0.8
139.03909	100.0
140.04239	0.6
143.04942	2.6
147.04424	20.6
151.03928	2.2
151.07568	0.5
153.01865	2.0
153.05434	0.9
154.02182	1.4
159.04475	0.6
161.05991	8.9
163.03880	1.3
165.05479	15.0
169.05002	2.4
177.05447	1.4
179.07094	3.0
181.04947	0.9
184.25645	0.4
189.05501	2.5
207.06532	6.3
214.11081	0.5
232.20601	0.7
249.07596	1.6
273.07559	1.8
273.12329	1.0
291.08600	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	12.4
60.59563	2.8
65.67383	2.6
69.03422	8.6
69.91433	14.2
70.06593	6.8
71.04993	4.5
81.03410	6.0
84.08135	4.6
84.96032	8.0
85.01418	3.5
85.02918	10.5
89.13923	3.1
91.05507	3.5
95.05012	4.3
97.02917	7.2
98.09758	3.5
98.97598	11.7
99.04474	5.9
100.00100	4.0
101.00876	30.1
103.00651	7.2
103.02437	4.9
109.02906	3.5
113.00885	6.9
115.00662	3.4
115.02469	10.1
116.95124	3.1
116.98599	4.7
119.01952	39.4
121.01650	15.0
123.04449	18.6
124.99136	7.9
125.96395	3.3
127.03967	3.9
128.98608	3.3
131.01898	9.9
133.03490	24.9
135.03235	4.9
137.02975	5.6
137.06033	8.4
139.02525	2.4
139.02869	3.2
139.03912	25.5
142.01111	2.9
143.00174	10.2
143.01955	10.4
144.13892	3.2
145.03506	10.6
147.01430	4.7
147.04402	6.2
148.87637	3.1
151.04440	4.2
156.02686	6.6
157.03456	19.0
159.03230	3.5
160.02303	5.0
161.01251	7.2
161.03009	16.9
161.06033	3.1
163.02768	7.8
165.05557	3.2
169.03529	6.1
171.01421	6.4
173.03043	7.7
175.04530	20.4
175.11983	4.0
177.00862	4.0
177.04308	4.6
183.05072	4.1
184.02281	2.9
185.03024	6.7
187.02660	3.6
187.04543	6.7
189.02519	15.7
191.04121	3.4
199.04564	4.1
201.02513	7.1
201.06143	4.0
203.04060	8.0
217.05624	3.4
219.01765	5.2
219.03583	10.4
221.05194	3.4
222.32657	2.9
223.01305	5.8
227.04062	4.1
231.03534	7.4
245.05089	6.1
249.04625	5.0
249.08415	5.0
291.05731	5.6
291.09247	100.0
291.12793	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	291.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	7.1
62.98741	3.3
71.50679	7.4
75.38046	3.6
82.99839	5.3
84.08125	5.3
94.93020	8.1
101.00890	44.0
113.00856	9.4
115.02428	33.2
119.01916	49.3
131.01917	12.4
133.03468	49.5
137.02946	8.2
142.01112	9.2
143.01883	11.2
145.03467	11.3
151.04538	5.5
157.03444	7.5
160.02107	8.4
161.02946	31.2
165.82256	3.8
171.03200	3.5
173.03001	18.7
175.04475	9.0
177.00868	7.2
186.91727	70.3
191.04027	15.1
193.52885	4.3
196.04486	4.5
201.02461	46.9
209.05159	5.8
217.02049	5.6
219.03568	100.0
249.04562	10.3
250.55756	3.6
259.00140	4.8
261.04663	3.9
291.05722	8.9
291.12851	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	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03079	2.5
66.13309	2.6
67.86855	2.8
69.03434	4.8
69.79033	14.8
70.06577	7.9
71.04982	3.3
81.03384	3.3
82.99834	4.2
84.08157	3.4
101.00880	14.0
103.00642	5.2
113.00871	3.7
114.05566	3.2
115.02431	5.1
119.01906	11.8
121.01659	4.5
127.02411	2.4
131.01918	6.3
131.48756	2.5
133.03490	9.9
135.03230	2.5
156.02699	3.8
157.03523	16.6
163.02786	4.1
173.02953	3.1
175.04587	8.0
175.11891	3.4
183.04936	4.5
184.02075	4.2
185.02966	5.7
186.91768	2.7
189.02444	2.7
199.04610	3.0
204.71263	2.7
217.05623	4.1
249.08148	3.5
276.07138	2.6
291.09241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2115
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01865	1.0
55.05497	0.9
57.07073	1.2
59.04978	0.3
67.05509	0.3
69.07080	2.8
70.06606	2.5
71.08643	0.6
73.02926	2.7
73.06567	1.3
79.92133	0.3
81.07067	0.6
84.08135	0.3
88.07642	2.8
91.05491	0.7
93.07043	0.3
93.79880	0.3
97.52855	0.2
105.07042	0.4
106.08685	0.4
107.08607	0.4
114.09187	0.9
118.06556	11.8
118.08666	0.3
119.07346	0.4
120.08139	0.3
121.06514	0.5
123.04471	1.5
132.08099	3.8
132.10211	3.9
133.08905	1.9
134.09673	1.3
135.04372	0.5
135.08101	0.4
139.03902	2.1
145.10104	0.3
146.09677	4.3
147.04427	0.5
147.10431	0.8
150.11261	3.0
160.11172	0.3
176.14365	43.9
177.14645	0.6
202.15933	1.1
228.23303	0.4
228.95554	0.3
229.23741	0.3
232.13292	0.8
246.14911	1.2
246.24316	0.8
247.15794	0.4
260.16483	0.9
290.21179	100.0
290.26541	17.1
291.21512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.03427	0.3
59.04995	0.7
65.03932	0.4
67.05499	0.9
67.25984	0.3
69.07072	5.4
73.06554	1.9
76.72173	0.4
79.05522	0.4
81.07042	0.9
83.04977	0.4
88.07611	0.4
91.05476	0.6
93.07040	0.7
95.08616	0.8
97.06531	0.8
105.07037	0.8
106.06562	0.4
106.08630	0.7
107.08622	0.7
109.10168	0.4
111.04462	0.8
112.69301	0.3
118.06554	15.8
119.04933	0.4
119.07301	0.8
119.08562	0.6
120.08112	0.3
121.06519	1.8
123.04439	4.7
124.04731	0.4
126.09110	0.4
127.03920	0.5
127.61509	0.3
132.08096	5.8
133.08905	2.4
134.09662	1.1
135.04419	0.9
135.07996	0.3
135.11734	0.4
136.04727	0.8
139.03911	5.9
140.04245	0.5
140.77260	0.3
146.09642	5.0
147.04430	1.2
147.10446	0.9
151.03897	0.5
152.04305	0.5
160.11230	0.5
161.05969	0.7
163.03987	0.4
165.05373	0.7
176.14357	74.2
177.14655	0.6
179.07239	0.3
286.05884	0.4
290.21161	100.0
291.21518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65662	0.2
53.03957	0.4
55.05513	2.3
57.03441	1.9
65.03938	0.3
65.19604	0.2
69.26601	1.5
69.27006	0.8
71.08617	0.3
79.05502	4.4
81.07063	22.3
84.04503	0.3
93.07042	0.3
99.08099	1.2
105.04533	0.2
107.04973	0.3
108.79774	0.3
123.04432	0.3
127.51598	0.3
132.05594	1.5
135.05438	0.3
136.04733	0.5
139.03876	0.9
153.01826	0.4
154.02113	0.4
160.05075	100.0
161.05383	0.9
172.05038	0.9
192.07690	5.2
214.09808	0.8
242.94720	0.2
246.12402	0.3
258.12405	60.3
259.12659	0.8
290.15015	44.0
291.15240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05024	0.6
56.96540	0.3
65.03931	0.3
67.05485	0.3
68.99773	0.2
70.06581	0.6
71.50865	0.3
72.08110	0.2
79.05508	0.2
81.03403	0.2
81.07041	0.3
83.04967	0.4
83.08585	0.2
84.04508	8.3
85.02913	0.4
88.11253	0.3
91.05464	0.4
94.06531	0.2
95.04987	0.3
101.21566	0.1
102.05510	0.4
103.05491	0.3
107.08608	0.2
108.05243	0.2
109.02846	0.2
109.10171	0.2
111.04440	0.7
112.04819	0.2
114.10280	0.2
115.05447	0.3
116.10722	0.3
116.47796	0.2
117.07024	2.1
118.06544	0.2
119.04956	0.2
120.08144	0.2
120.11224	0.2
123.04442	3.1
124.04744	0.8
127.03931	0.7
128.04231	0.4
130.05011	2.6
130.06512	0.4
131.05345	0.2
132.08087	0.8
134.09636	0.2
135.04413	1.3
136.04762	1.8
137.02362	0.2
139.03906	4.4
139.04918	0.4
140.04221	0.4
143.07343	1.4
144.08089	100.0
145.08405	1.0
146.05988	0.2
147.04439	1.0
151.03920	0.4
152.04279	0.2
153.01862	0.2
155.06006	0.3
161.10748	4.3
163.03899	0.6
164.04297	0.5
165.05525	0.5
174.04083	0.2
198.09167	0.5
201.13138	0.3
207.06555	0.2
227.11824	2.9
244.06818	0.2
244.09702	0.2
246.11298	0.2
260.06277	0.2
262.07922	0.2
272.06479	0.3
273.12375	4.1
273.15298	0.3
290.07455	0.6
290.10236	0.4
290.15002	5.5
290.17697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2529
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03940	3.7
55.01872	3.1
55.05515	18.5
57.03421	2.3
57.07058	6.6
58.63055	1.3
59.09267	1.4
62.00783	1.3
65.03929	6.1
67.05509	38.9
68.99796	3.1
69.03432	2.3
69.06728	2.5
69.07075	30.0
69.11125	1.2
69.78741	7.8
71.04979	1.6
71.08611	1.5
72.08163	1.6
73.15068	1.3
77.03912	2.3
79.05081	2.4
79.05496	30.3
81.07061	84.8
83.08633	11.1
85.06548	14.4
89.03910	1.7
91.04980	2.7
91.05486	27.8
93.03400	9.2
93.07048	48.1
95.04958	6.9
95.08611	72.8
97.02886	1.6
97.06519	4.1
97.10165	4.8
97.96577	1.6
99.08092	10.8
105.04451	1.7
105.07037	37.7
107.04958	11.7
107.07874	3.1
107.08596	45.7
108.27361	1.5
109.02890	1.8
109.06505	4.2
109.10159	38.4
111.04440	17.5
111.08063	5.0
111.11712	2.6
113.09641	3.7
114.10287	6.7
117.07011	5.9
119.08585	37.5
121.02860	3.6
121.06503	2.5
121.10152	34.8
123.04431	32.6
123.08075	2.7
123.11717	11.7
125.09644	3.4
127.03915	16.0
129.06944	1.5
131.04967	2.3
131.08559	12.5
133.10139	31.3
135.04424	76.3
135.11702	23.1
137.02316	3.7
137.06009	9.3
137.09637	1.8
137.13249	3.9
139.03908	30.1
139.11214	2.8
140.86453	1.5
145.10141	21.3
147.11693	30.9
149.01454	1.5
149.02371	13.4
149.13255	22.4
151.03894	13.9
153.01834	10.4
157.06444	1.7
159.11687	14.3
160.05040	4.5
161.05934	3.7
161.13269	23.0
163.03914	14.3
163.14822	11.9
165.12769	1.6
169.06480	2.8
171.11696	1.4
173.13249	9.1
175.14830	15.6
177.05481	2.8
177.16428	4.2
179.03433	2.8
179.14357	1.8
187.14850	7.6
189.16374	15.0
191.17955	3.1
193.15868	4.4
195.03008	1.9
201.16454	7.0
203.17999	2.0
205.15721	1.7
207.17426	2.0
213.05463	1.8
215.07014	6.3
215.17979	10.2
229.19426	2.8
231.06554	5.7
231.20953	1.7
241.05188	1.6
243.06552	7.1
258.12262	1.8
259.06027	5.1
261.07599	5.6
271.05930	6.5
271.24255	17.0
289.07080	9.4
289.10605	2.4
289.14597	2.2
289.18295	4.1
289.25269	100.0
290.19623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2529
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03942	2.6
53.69539	1.6
55.01860	6.4
55.05513	26.5
57.03423	2.6
57.07063	7.7
60.74571	1.7
65.03927	6.3
67.05182	2.9
67.05509	42.6
68.99821	1.7
69.03404	4.5
69.07071	37.7
71.04979	2.6
71.08629	3.3
71.51016	2.1
72.08141	4.9
79.05493	31.6
81.03413	4.9
81.07061	91.2
83.04984	4.3
83.08621	15.8
84.08170	1.8
84.15244	1.7
85.06542	2.1
89.03897	2.8
91.05487	27.6
93.03401	6.3
93.07052	69.8
95.04974	16.1
95.08614	100.0
97.02840	1.9
97.06537	11.0
97.07663	2.8
97.10188	12.3
103.05483	2.2
105.07039	39.3
107.04949	7.5
107.08592	43.0
109.02900	2.1
109.06526	4.9
109.10163	59.0
111.00792	2.8
111.04444	21.0
111.08093	6.2
111.11712	6.1
114.10316	15.1
115.05481	2.0
117.03365	2.3
117.07021	6.1
119.08591	28.2
121.06527	7.2
121.10155	34.7
123.04433	38.2
123.08051	4.5
123.11723	24.0
125.09613	3.9
127.03905	22.9
130.07747	1.9
131.04944	3.5
131.08578	11.7
133.06499	2.4
133.10135	31.0
135.04422	84.4
135.08058	4.3
135.11693	25.6
137.02400	2.8
137.05969	5.2
137.09628	4.3
137.13258	8.5
139.03917	34.3
145.10127	17.2
147.11681	18.1
149.02348	7.5
149.09630	3.2
149.13284	18.0
151.03925	17.0
151.11182	5.3
151.14890	3.5
153.01836	4.5
159.04416	2.7
159.11700	14.2
160.05074	9.5
161.05978	4.4
161.13277	14.5
163.03925	20.8
163.11162	3.0
163.14822	13.9
165.12753	6.0
171.11766	2.4
173.13272	7.6
175.14812	14.0
177.12732	2.6
177.16377	7.9
179.03384	2.1
179.14323	2.5
185.05972	2.3
187.14815	5.7
189.16414	13.0
191.17917	2.7
193.04916	2.3
193.15883	3.0
197.05989	2.6
201.16397	6.9
203.17937	2.1
207.17302	2.3
215.07053	6.0
215.17953	8.0
229.19545	2.8
231.06496	5.9
233.18987	2.0
243.06519	5.1
258.12427	4.6
259.06030	5.5
261.07614	6.6
271.06073	8.8
271.24213	24.6
289.07083	15.2
289.10825	5.1
289.14532	2.4
289.18149	5.9
289.25275	87.3
290.14911	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03941	2.6
55.01871	3.5
55.05518	21.3
57.07060	5.0
61.95256	1.9
65.03943	3.0
67.01845	1.8
67.05507	45.7
68.99782	3.7
69.03430	1.9
69.07074	31.8
70.63972	1.9
71.08627	2.0
71.51035	2.0
71.51519	1.9
72.08155	3.9
73.87673	1.6
76.51477	1.7
79.05493	28.4
81.07058	86.7
83.08613	11.9
85.06557	13.9
87.06398	1.8
89.03924	5.2
91.05478	26.2
93.03419	4.8
93.06487	2.7
93.07049	50.8
95.04959	5.3
95.08611	84.7
96.08109	2.5
97.06532	3.8
97.07630	2.7
97.10159	5.7
99.08069	7.5
105.07037	42.7
107.04951	3.8
107.08596	45.8
109.06499	3.6
109.10160	35.1
111.00808	1.8
111.04461	8.6
111.08122	3.3
111.11724	3.4
114.10300	12.4
117.03396	3.4
117.07027	6.3
119.08590	34.2
120.08113	7.7
121.10139	29.2
123.04428	13.5
123.11727	15.3
124.07601	6.6
125.09649	2.5
127.03946	5.7
129.07007	1.9
131.08582	14.1
133.10129	31.0
134.06023	5.0
135.04427	30.8
135.11696	30.5
136.07562	4.0
137.09612	2.0
137.13235	5.3
138.05479	1.8
139.03922	10.2
145.02867	6.0
145.10146	17.4
146.05992	4.2
147.11682	31.7
148.07581	5.0
149.02306	5.2
149.13264	24.7
151.03906	4.5
151.11166	2.4
153.01840	47.3
159.11714	16.6
161.06090	1.9
161.13268	29.1
163.03944	28.4
163.14876	10.2
164.07076	46.5
173.13300	11.7
175.14833	13.1
177.16406	6.9
179.03453	3.2
179.14255	2.3
187.14859	8.6
189.16386	10.2
191.17960	4.3
193.15919	4.2
201.16461	7.0
203.17975	2.3
215.07108	3.3
215.16069	1.9
215.18063	11.4
215.19852	2.1
229.19640	2.3
233.19157	2.4
243.06693	2.3
243.14793	2.3
249.72969	1.7
259.06049	2.4
271.14371	12.3
271.24194	19.9
289.07025	35.3
289.15430	35.8
289.18158	1.9
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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.82194	0.7
52.33519	0.6
53.03934	2.6
55.01861	1.9
55.05515	18.2
56.05033	1.1
56.95185	0.6
57.03438	1.3
57.07082	5.9
59.04971	0.7
65.03932	3.0
67.01878	1.5
67.05508	37.5
68.99781	1.9
69.03431	3.2
69.07073	25.5
70.50491	0.6
71.04983	1.7
71.08612	1.6
71.51851	0.9
72.08137	2.5
77.03906	1.2
77.59015	0.7
79.05499	27.9
81.03414	1.8
81.07063	80.3
83.04988	1.3
83.08220	0.8
83.08629	10.1
85.06548	17.0
89.03906	3.1
91.04903	0.9
91.05484	24.6
93.03402	2.6
93.07050	45.2
94.07397	0.7
95.04974	4.4
95.08614	75.0
97.02923	1.1
97.06525	3.1
97.07650	2.6
97.10178	6.4
98.06031	0.8
99.08091	7.7
99.13287	0.6
103.05443	0.9
105.04527	1.3
105.07038	38.2
107.04971	7.7
107.08603	43.7
109.02827	0.9
109.06490	1.9
109.10164	36.7
111.00824	1.3
111.04454	5.4
111.08096	5.1
111.11707	3.0
113.09645	3.0
114.10304	12.3
117.03383	4.4
117.06989	4.8
119.08590	34.1
121.02873	1.2
121.06505	2.8
121.10151	31.1
123.04439	12.4
123.08063	2.2
123.11716	14.6
125.09652	4.6
127.03941	5.8
127.08690	1.8
127.11174	0.9
128.09018	0.8
129.07039	1.5
130.07838	0.9
131.04919	0.9
131.08582	12.8
133.10139	32.0
134.05942	0.8
135.04425	28.6
135.08044	0.8
135.11699	23.7
136.07584	1.4
137.09636	0.9
137.13269	4.8
139.03894	8.1
139.11163	2.7
141.07069	0.7
143.08546	1.4
144.09415	1.0
145.02873	4.6
145.10141	19.1
147.11699	27.8
148.07611	1.1
149.02362	8.0
149.09750	0.7
149.13272	21.3
151.03949	5.1
151.11163	1.7
151.14851	1.7
153.01840	41.0
153.12784	0.9
157.10078	1.4
159.04385	0.9
159.11700	18.4
159.13037	1.0
161.05994	0.7
161.13274	26.6
163.03915	23.7
163.11180	1.1
163.14848	9.8
164.04189	0.7
164.07106	7.4
165.12775	1.7
167.14352	0.8
171.02870	1.6
171.11653	0.9
172.22604	0.7
173.13257	12.8
175.13318	0.8
175.14836	16.5
177.12901	0.9
177.16389	4.8
179.03423	2.7
179.14308	3.0
181.15950	1.6
187.03915	0.8
187.14833	8.7
189.16393	13.5
191.17966	3.0
193.15921	3.6
197.06068	1.2
201.16383	6.3
203.17982	3.0
205.04979	1.2
205.15776	0.9
207.17465	2.4
213.28859	0.8
215.07069	5.7
215.18008	8.6
217.19484	2.2
219.17471	1.8
229.19554	2.0
231.06509	0.9
231.21078	1.6
233.19028	2.5
243.06552	4.7
243.21162	0.8
245.22697	1.1
259.06024	1.1
261.07562	1.0
271.06107	3.8
271.14307	0.9
271.24246	17.1
289.07089	25.7
289.10480	1.0
289.15305	3.6
289.18271	2.2
289.25275	100.0
290.25540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.47995	1.2
53.03947	3.9
55.01870	2.5
55.05512	15.3
57.03428	1.2
57.07071	5.1
65.03933	3.4
67.01860	1.7
67.05508	32.1
69.06717	2.2
69.07066	21.5
69.28437	1.2
69.94323	1.2
71.04993	1.9
71.05449	2.9
72.08139	1.4
74.59439	1.2
77.03934	1.4
79.05494	25.3
81.07059	100.0
83.08620	9.2
85.06542	10.6
89.03901	1.9
91.05483	17.1
93.03419	2.8
93.07047	49.6
95.04999	3.4
95.08610	68.9
95.34702	1.3
97.06526	4.0
97.10174	10.0
99.08093	4.0
100.78336	1.3
105.07035	33.2
107.04948	2.0
107.08602	45.7
109.06499	3.0
109.10160	43.9
111.04483	7.4
111.08099	15.9
111.11732	4.0
114.10318	11.7
117.03454	1.9
117.07001	3.2
119.08591	25.6
121.06509	1.2
121.10144	38.3
123.04417	16.4
123.08022	2.1
123.11718	19.5
125.09631	4.2
127.03892	6.2
131.08575	6.0
133.10132	19.4
135.04422	28.6
135.11697	28.2
137.09575	3.2
137.13248	5.1
139.03911	15.1
139.11172	3.8
144.93146	1.2
145.10133	10.9
147.11707	20.2
149.02350	2.6
149.13261	31.3
151.03902	6.2
151.11197	7.3
151.14789	2.0
153.01839	11.6
153.12752	2.1
159.11700	9.6
161.13240	19.8
163.03949	8.4
163.14835	15.7
165.12776	5.0
173.13245	7.0
175.14850	13.9
177.16393	6.3
179.03290	2.0
179.14322	4.9
187.14787	4.9
189.16429	10.7
191.17966	4.1
193.15865	2.6
201.16405	5.4
203.17969	8.7
207.17514	2.9
215.17979	3.8
217.19601	1.8
219.17535	2.5
229.19470	2.4
233.19029	2.1
243.06509	2.4
245.22594	6.7
259.06104	1.7
271.05908	3.0
271.24234	15.1
278.16187	1.4
289.07150	10.2
289.12128	1.5
289.25272	61.8
290.25589	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.02996	2.2
55.05518	1.6
65.03934	0.8
67.01843	0.5
67.05505	1.7
68.99802	1.3
69.03428	0.6
69.07049	1.0
70.06586	0.4
70.12473	0.8
70.12877	0.5
72.05640	1.2
72.08158	29.3
79.05503	1.4
81.03429	0.4
81.07074	2.3
82.35236	0.2
83.04977	0.3
83.08661	0.3
85.06554	0.4
85.46455	0.2
86.94300	0.2
89.03926	0.5
91.05479	1.3
93.03394	1.0
93.07049	1.3
95.04964	0.6
95.08595	1.3
97.07659	16.1
98.21385	0.3
98.97573	0.3
103.05462	0.5
105.07040	0.7
107.04960	6.7
107.08592	1.4
109.06542	0.5
109.10149	1.4
111.04445	2.4
111.08112	0.3
114.10295	100.0
115.10673	0.4
117.03404	0.5
117.07031	0.3
119.05032	0.3
119.08609	0.9
121.02908	1.4
121.03761	0.3
121.06532	0.6
121.10168	0.8
123.04439	5.8
123.11682	0.6
127.03920	3.5
131.04947	0.6
131.08560	0.6
133.10126	0.8
135.04416	10.5
135.05434	0.6
135.11664	0.6
137.02327	0.5
137.05919	0.2
139.03897	3.7
141.07025	0.6
144.08073	0.8
145.10091	0.5
147.04349	0.4
147.11705	0.7
149.02354	7.4
149.13271	0.7
149.83392	0.2
150.09158	1.2
151.03899	1.8
153.01834	10.2
159.04443	0.4
161.13268	0.4
163.03908	2.9
163.07552	0.3
163.14832	0.5
167.03421	0.6
169.06476	0.7
173.06020	0.3
176.07159	0.3
179.03427	0.5
187.07619	0.3
195.02905	0.9
197.06013	1.1
213.05496	0.3
215.07054	5.4
217.12274	0.3
225.05525	0.5
231.06474	0.5
243.06543	5.0
245.22803	0.3
258.76883	0.3
259.06110	0.6
260.09335	0.5
261.07709	0.8
271.06046	2.5
271.10660	0.3
271.17020	0.3
289.07077	1.9
289.11783	0.6
289.24957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2164
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.85883	1.2
53.03942	2.0
54.72178	1.1
55.05520	15.5
59.05006	2.4
63.96367	1.2
65.03932	1.5
67.05511	18.2
69.03395	1.3
69.07080	14.1
69.74924	7.8
73.06564	1.7
75.35152	1.4
79.05500	19.9
81.06606	1.2
81.07069	23.8
83.04993	1.7
83.08616	7.8
85.06556	6.7
91.05492	54.4
92.28725	1.2
93.07051	18.0
95.04978	2.3
95.08618	16.7
97.06559	3.1
97.10172	2.7
98.20790	1.7
103.05453	1.5
105.00940	1.4
105.07043	71.6
107.08600	12.1
109.06506	1.8
109.10158	7.2
115.05443	2.4
115.07545	1.7
117.07030	19.9
119.08595	52.2
121.06584	1.6
121.10160	7.7
123.04413	1.8
124.33880	1.6
125.09624	1.9
129.07005	4.3
131.08583	21.8
132.09360	1.2
133.10147	52.2
135.04431	2.0
135.08060	2.1
135.11688	3.6
141.06972	2.6
143.08585	4.0
145.10135	18.7
147.08014	1.6
147.11711	23.8
149.09616	1.8
151.11296	1.3
155.08557	3.0
157.10146	5.7
159.11734	18.9
161.09630	1.3
161.13278	13.5
163.11183	1.7
164.33220	1.4
169.10217	3.0
171.11716	4.4
173.09538	2.1
173.13257	14.8
175.11212	1.6
175.14819	2.1
177.12767	1.3
183.11725	4.0
187.11169	4.0
187.14835	1.9
189.12781	2.0
197.13269	4.5
201.12796	1.7
207.13799	1.3
211.14700	1.5
213.16252	2.5
215.14365	2.7
215.18034	3.8
229.15979	1.3
229.19504	2.1
239.17964	8.1
247.16901	2.0
257.19058	14.7
271.20712	1.3
289.18497	4.3
289.21658	100.0
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
53.03945	2.2
55.05510	3.0
56.25358	1.2
56.96572	3.7
57.03436	2.5
59.04995	4.3
60.05651	2.3
61.02922	9.4
65.03938	4.2
67.05505	1.7
68.05027	3.0
69.03426	2.8
70.06604	10.3
70.08916	2.3
70.09319	1.7
71.05003	10.3
72.04541	1.0
72.08152	2.1
72.93790	1.1
74.36932	1.0
75.16759	0.9
79.05510	5.8
80.04988	1.3
81.03423	2.6
81.04550	15.7
81.07060	22.5
82.05325	5.0
83.06113	3.9
84.04502	2.4
84.08153	2.1
85.02898	4.6
87.08096	3.1
88.07636	1.2
89.03947	2.0
93.03397	3.4
94.06578	2.4
94.91255	1.1
95.04987	4.0
95.06098	32.7
96.04507	11.6
97.02884	2.7
97.06527	1.1
98.06000	1.5
99.04433	1.5
99.08115	1.6
101.00858	1.3
103.05489	1.1
107.04934	3.4
109.02911	1.5
111.00789	1.1
111.04472	10.2
111.05572	64.5
113.09688	1.1
114.05566	1.5
116.07053	1.1
117.03392	1.6
119.01907	3.6
123.04452	21.7
123.05563	62.5
126.05544	2.0
127.03925	68.6
130.06558	3.5
131.01930	3.3
131.04895	3.0
135.04433	51.2
135.05539	2.9
139.03908	20.0
141.06598	100.0
142.04999	6.5
145.03452	2.3
149.02397	2.5
149.05983	2.3
151.03894	6.7
155.01938	1.9
157.03519	1.2
157.07622	2.2
158.06041	5.7
159.04358	1.1
161.10732	1.4
162.09198	1.1
163.03918	15.3
163.12335	5.4
163.15863	1.2
168.06590	1.7
173.02986	1.9
173.06010	1.4
175.08734	2.3
175.12030	3.8
177.05515	1.8
181.06094	5.0
185.06555	1.0
187.03847	1.3
187.08192	1.7
191.11703	3.7
196.06055	1.8
197.05951	1.5
199.08310	4.1
199.10782	2.9
201.05455	1.8
205.09302	1.3
207.14694	1.1
209.12852	9.9
213.08771	1.2
217.09425	1.6
221.05118	3.0
221.12863	18.2
229.05212	1.6
231.06580	4.2
239.13922	34.8
241.15501	12.0
243.06557	2.6
253.15533	2.3
259.06006	2.7
261.07584	3.1
271.06091	5.0
271.16553	100.0
272.16852	1.2
278.05228	1.2
289.07455	7.7
289.12613	32.0
289.17529	33.0
292.07108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.47426	0.4
53.03934	0.7
53.25599	0.3
55.01867	0.8
55.05518	0.6
56.96563	0.9
57.03429	0.4
59.04993	0.6
60.05611	0.4
61.02922	1.4
65.03953	1.1
67.05508	0.6
68.99803	0.9
69.03420	1.4
69.07053	0.3
69.97038	0.8
69.97448	1.1
70.06593	1.3
71.04983	1.4
73.02927	0.5
77.75505	0.3
78.03761	0.3
79.05492	0.7
81.03413	1.2
81.04541	1.5
81.07066	2.4
82.05305	0.6
83.04964	0.6
84.08155	0.5
85.02905	4.5
85.06512	0.4
87.08078	0.4
89.03928	1.1
93.03405	2.5
95.05039	0.8
95.06090	2.9
96.04482	0.6
97.02884	1.4
97.06551	0.5
98.97572	0.6
99.04462	0.6
103.05449	0.5
107.04975	1.1
109.02892	2.0
111.04453	4.9
111.05565	6.4
117.03378	0.8
119.01936	0.5
121.06517	1.5
123.04440	10.5
123.05553	6.5
127.03923	100.0
128.04240	0.9
130.06537	1.6
131.01964	0.5
131.04948	1.1
132.04491	0.6
135.04422	21.7
137.02333	0.6
139.03911	7.7
140.14093	0.3
141.06602	9.3
142.04984	0.5
145.05023	0.4
149.02316	1.9
149.06030	0.6
151.03909	3.4
157.06442	0.7
157.07639	0.6
158.06058	1.1
158.09270	0.4
159.04382	0.9
163.03931	8.1
169.06644	0.6
173.06017	0.5
175.08759	0.7
175.12007	0.6
177.05527	0.8
179.03400	0.3
197.06026	1.2
209.12950	0.7
213.12415	0.8
215.07104	0.8
221.05293	0.4
221.12820	1.8
229.04961	0.6
231.06606	0.6
239.13916	3.1
241.15466	1.5
243.06644	1.2
259.06070	1.3
261.07632	1.7
271.06122	2.0
271.16562	10.1
289.07132	4.2
289.12253	2.4
289.17471	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02394	0.7
51.55130	0.4
53.03933	1.1
55.01868	1.2
65.03954	0.8
67.05492	1.8
68.38853	0.5
68.99790	2.3
70.62741	1.2
71.95446	0.5
77.03936	2.0
79.05476	0.9
83.01347	1.6
89.03917	2.9
93.03413	1.0
95.04979	3.9
103.05420	0.8
105.03381	2.5
107.04962	3.6
111.00841	1.0
111.04453	1.2
114.10313	0.7
115.05434	0.6
117.03392	4.8
123.04434	100.0
124.04763	0.6
127.03903	1.6
131.04924	2.1
135.04416	10.0
139.03908	22.7
141.07036	0.9
145.02838	5.0
149.02354	1.5
149.06003	0.8
151.03911	5.5
153.01764	2.8
159.04414	2.6
163.03915	26.1
169.06543	0.8
173.06013	1.0
177.05518	1.6
180.41008	0.7
181.06558	0.8
187.03860	4.4
187.17558	0.6
197.05952	2.7
201.05527	0.7
205.04988	3.4
215.07080	1.9
217.05087	0.7
225.05537	2.0
229.05016	1.5
243.06526	4.2
245.04466	3.4
253.05116	1.0
271.06033	3.4
289.07062	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	289.0708
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.20877	0.9
53.03942	0.9
65.03945	5.0
67.05508	2.3
68.99777	3.2
70.28954	1.5
72.08153	1.9
77.30596	0.7
79.05484	1.8
81.03417	1.3
81.07052	1.6
83.04990	0.8
85.06546	1.0
87.97984	0.7
89.03923	4.4
93.03410	12.2
93.07044	1.6
95.04961	3.3
95.08615	1.5
98.20821	0.9
103.05445	1.6
105.06979	1.5
107.04939	4.5
107.08606	1.2
109.02873	2.1
109.10151	1.8
111.00796	0.9
111.04449	20.5
114.10285	6.3
115.05484	1.2
117.03410	3.6
119.08593	1.0
121.02908	0.9
121.10146	0.9
123.04430	38.2
127.03925	47.7
131.04936	3.7
135.04417	100.0
137.02322	2.8
139.03905	36.1
141.06970	1.2
149.02359	6.7
149.05980	3.2
150.03191	1.0
151.03906	17.6
157.06551	0.9
159.04448	4.6
161.05995	2.0
163.03908	28.9
169.06525	1.3
173.05978	2.3
177.05556	2.1
179.03404	2.0
185.06102	1.1
187.03912	2.2
197.06044	2.4
201.05432	1.4
203.07085	1.0
205.04991	2.1
213.05495	1.4
215.07043	2.7
225.05418	1.6
229.04945	1.4
231.06534	4.0
241.04913	1.6
243.06531	3.9
253.04961	0.9
259.06012	7.1
261.07593	6.7
271.05984	10.9
289.07092	13.9
289.25211	1.4
305.97900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
50.71423	0.5
53.03941	0.8
53.33777	0.5
55.01869	1.4
55.05510	0.9
62.18699	0.5
65.03931	2.5
67.01856	1.6
67.05497	1.6
67.08570	0.6
68.99792	3.1
69.03407	0.8
69.07053	0.9
70.86658	1.4
79.05487	2.1
81.07037	2.5
91.05489	2.5
93.03407	1.0
93.07050	1.4
93.14044	0.5
95.04945	1.6
95.08605	2.7
97.02890	1.4
97.06517	0.7
105.07043	1.4
107.04961	44.8
107.08599	1.6
109.10124	1.1
111.04469	3.5
114.10303	1.2
117.37497	0.6
119.04971	2.9
119.08585	1.2
121.02869	9.0
121.03774	0.7
121.04072	0.5
121.10149	0.9
123.04448	3.4
127.03927	2.0
131.04950	1.4
131.08571	1.6
133.10175	0.7
135.04427	7.7
135.11650	0.8
139.03923	5.1
141.06990	3.0
145.10150	0.8
147.04393	1.2
147.11676	1.2
149.02347	47.7
150.54567	0.6
151.03905	1.3
153.01836	100.0
159.08090	0.8
159.11688	0.9
163.03915	2.7
167.03427	6.8
169.06509	3.4
173.05978	1.1
175.14850	1.0
187.07510	0.8
195.02888	9.2
197.05952	5.1
201.05499	1.2
213.05461	0.6
215.07042	40.3
218.11696	0.6
225.05539	0.8
242.05840	1.9
243.06535	30.9
271.06027	10.7
289.07065	4.9
289.22360	0.7
289.25204	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
51.02382	0.5
53.03962	0.5
55.01883	0.8
55.05517	0.5
65.03944	1.8
67.01876	1.3
67.05494	0.9
68.99799	4.1
69.03422	1.7
69.07053	0.6
69.13638	0.4
70.91014	0.9
70.91347	0.5
79.05495	2.4
81.03425	0.7
81.07060	1.5
86.46520	0.4
88.18056	0.4
91.05502	1.6
93.03421	0.6
93.07088	0.6
95.04983	1.4
95.08611	1.8
97.01924	0.4
97.02900	0.6
100.63227	0.4
105.07059	0.7
107.04961	76.7
107.08607	0.8
108.05290	0.5
109.10142	1.2
111.04459	3.9
111.63410	0.4
115.05434	0.7
119.04961	3.7
119.08592	0.8
121.02876	12.5
121.10289	0.4
123.04446	1.8
123.11719	0.5
127.03936	0.8
129.06978	0.4
131.04964	0.9
131.08598	0.6
135.04434	5.7
139.03932	3.0
141.06995	3.3
144.05713	0.5
145.06500	1.3
147.04436	1.9
147.08112	1.9
149.02351	77.7
149.13200	0.5
153.01836	100.0
154.02359	0.6
157.06487	0.8
159.08034	1.0
163.03918	2.0
167.03430	7.6
169.06497	5.8
173.05957	1.5
177.09798	0.4
185.06117	0.4
187.03880	0.7
187.07556	1.7
195.02899	10.4
197.06003	7.5
201.05447	1.0
215.07039	64.5
215.17911	0.5
216.07439	0.8
225.05457	1.1
242.05788	2.4
243.06540	56.4
244.06877	1.0
271.03119	0.7
271.06033	14.3
289.07062	8.7
289.25223	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
51.55130	0.4
53.03933	1.1
55.01868	1.2
65.03954	0.8
67.05492	1.8
68.38853	0.5
68.99790	2.3
70.62741	1.2
71.95446	0.5
77.03936	2.0
79.05476	0.9
83.01347	1.6
89.03917	2.9
93.03413	1.0
95.04979	3.9
103.05420	0.8
105.03381	2.5
107.04962	3.6
111.00841	1.0
111.04453	1.2
114.10313	0.7
115.05434	0.6
117.03392	4.8
123.04434	100.0
124.04763	0.6
127.03903	1.6
131.04924	2.1
135.04416	10.0
139.03908	22.7
141.07036	0.9
145.02838	5.0
149.02354	1.5
149.06003	0.8
151.03911	5.5
153.01764	2.8
159.04414	2.6
163.03915	26.1
169.06543	0.8
173.06013	1.0
177.05518	1.6
180.41008	0.7
181.06558	0.8
187.03860	4.4
187.17558	0.6
197.05952	2.7
201.05527	0.7
205.04988	3.4
215.07080	1.9
217.05087	0.7
225.05537	2.0
229.05016	1.5
243.06526	4.2
245.04466	3.4
253.05116	1.0
271.06033	3.4
289.07062	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	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76231	1.1
58.80431	1.2
60.05650	5.6
70.06595	11.7
70.99845	3.9
71.04970	1.2
71.49819	1.5
72.08155	2.7
73.01434	1.5
80.17827	1.1
82.99840	12.0
83.00245	1.3
84.08150	3.5
89.00890	2.0
92.55053	1.2
96.19412	1.1
97.01385	6.0
97.06537	4.1
98.97592	2.3
101.00888	88.4
102.00990	1.3
108.28976	1.1
112.08751	2.5
113.00885	10.7
114.10306	2.6
115.02444	25.4
116.07064	3.6
117.03996	3.0
119.01928	100.0
120.01955	1.2
126.98814	4.0
127.02394	1.1
129.00375	2.1
129.03975	7.1
130.08690	1.9
130.09756	3.1
131.01923	17.2
133.03474	39.1
137.02977	8.3
137.79214	1.0
139.02411	1.4
140.10666	1.2
142.12283	2.1
143.01904	35.0
144.99864	2.4
145.03470	5.1
147.01379	3.9
147.05037	4.1
149.02881	2.6
151.04533	3.8
155.01862	1.4
157.03448	5.1
158.09259	1.9
159.01448	3.7
159.04982	1.3
161.02968	60.1
168.99841	13.2
169.03703	1.1
171.01401	12.1
173.02953	14.8
175.00888	6.1
175.04549	3.9
175.11908	17.0
177.02454	2.5
179.03995	2.6
180.99823	1.4
185.02998	4.4
187.00897	26.5
187.04504	2.0
189.02486	13.8
191.03989	10.2
196.99330	6.1
199.00900	24.8
201.02414	6.0
203.00482	1.9
203.04077	3.8
205.01965	8.6
208.01430	1.2
215.00374	26.0
217.01968	42.7
217.04015	2.6
217.05386	1.6
219.01823	1.5
219.03577	10.4
227.04147	1.7
229.01929	13.2
230.13861	2.0
231.03586	3.2
233.01462	5.4
235.03027	4.9
245.01497	2.4
247.03009	25.9
257.01529	4.7
259.03009	2.6
265.04080	8.0
275.02643	1.3
277.04056	5.8
289.04086	18.5
289.07376	3.1
289.14847	1.5
289.18356	3.4
307.05219	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
56.12254	1.4
58.99854	2.4
60.05659	14.7
69.03423	3.2
70.06599	31.8
70.99862	3.0
71.04977	4.6
71.50091	2.9
72.08169	7.2
73.02922	1.5
81.03426	3.5
81.04538	4.6
82.99816	11.7
84.08140	1.6
85.02901	6.2
85.15762	1.5
89.00909	2.0
96.04475	2.3
97.01415	9.7
97.02889	3.6
97.06528	9.6
99.04448	2.4
100.00107	2.5
100.07661	1.6
101.00888	81.1
107.04946	1.6
109.02863	1.7
111.04457	3.3
112.08721	4.3
113.00874	16.0
114.10277	4.6
115.02441	27.2
116.07098	9.9
117.04029	2.9
119.01934	100.0
123.04449	6.1
123.05498	1.3
124.02500	1.5
126.98692	2.6
127.03915	6.9
127.05048	4.7
129.00304	1.5
129.03972	8.8
130.09753	7.5
131.01909	23.8
133.03476	33.3
135.04425	9.8
137.02968	10.6
137.03856	1.8
137.05989	2.2
139.02426	2.2
139.03958	4.3
140.10710	4.3
142.01100	3.0
142.12274	7.5
143.01907	30.1
144.99759	1.7
145.03502	10.6
147.01428	4.8
147.05011	6.7
149.03035	2.5
149.86836	1.5
151.04630	2.2
153.00323	1.7
154.04944	1.7
155.01904	4.1
156.02623	4.1
157.03500	9.0
158.09309	3.1
159.01404	4.6
159.05031	2.7
161.02980	48.2
168.99831	14.8
169.03410	3.3
171.01414	11.7
171.05048	2.6
173.02963	17.1
175.00847	2.7
175.04555	6.2
175.11931	38.1
177.02443	2.3
184.02162	2.5
185.01266	1.5
185.02959	7.6
186.11201	2.4
187.00906	26.5
187.04507	2.3
189.02486	15.9
191.04002	10.6
195.04720	1.7
196.99359	3.2
199.00868	14.1
199.04558	5.4
199.08150	1.7
201.02487	7.0
201.06091	1.7
203.04031	3.5
205.01961	11.0
207.03494	3.2
213.06012	1.8
215.00388	32.5
215.03781	1.7
217.02014	17.7
217.05577	5.2
219.03592	9.7
227.04036	4.1
229.01996	12.1
231.03499	3.1
233.01437	4.9
235.06599	9.4
247.03030	29.3
253.07765	3.4
259.03009	2.9
265.04041	8.6
271.17679	2.8
277.04019	1.7
289.04013	16.3
289.07672	41.6
289.15079	3.9
289.18588	11.2
307.05020	7.1
307.08740	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	289.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05251	4.8
56.36634	3.8
60.05399	4.9
60.05653	45.4
70.06596	82.9
70.85846	8.9
72.08146	20.8
81.04522	8.6
82.99847	11.7
84.08147	5.1
85.02875	6.2
89.90307	4.6
97.01358	5.8
97.06555	22.5
97.07635	5.8
99.04416	4.7
101.00262	7.8
101.00887	75.7
106.39059	4.5
111.36848	4.3
112.08720	9.0
113.00882	16.6
114.10250	13.2
115.02428	28.0
116.07081	25.3
119.01928	87.5
127.03919	15.2
127.05033	14.9
127.33501	4.9
129.03972	9.6
130.09755	18.7
131.01942	23.1
131.85225	4.5
133.03516	37.4
137.02953	9.5
140.10678	13.8
140.30299	4.0
140.73288	4.1
142.12270	16.2
143.01894	32.0
145.03487	9.7
147.05072	5.2
155.01756	6.8
157.03476	12.9
158.09274	9.8
161.02966	47.0
168.99846	12.0
171.01402	11.2
173.02939	19.3
175.04561	7.0
175.11908	100.0
178.86198	4.8
185.02962	7.9
187.00891	36.1
189.02490	11.5
191.04012	12.0
196.99306	9.1
199.00911	16.0
199.04558	6.8
201.02504	8.3
203.04070	6.7
205.02020	9.4
215.00410	40.2
217.01994	21.6
217.05539	6.2
219.03462	6.8
229.02040	10.0
233.01436	8.3
246.04556	5.0
247.03075	36.3
253.51768	4.5
289.03839	19.4
289.07568	32.4
289.15192	8.9
289.18619	29.7
301.49881	5.0
307.05154	5.1
307.08612	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	288.1709
Annotation	(-)-N-(2-Oxopyrrolidinomethyl)cytisine
Peak:m/z	Relative Intensity
50.24627	0.2
53.27752	0.2
54.28899	0.2
55.05512	5.3
55.07080	0.2
56.05038	44.0
57.04573	0.3
57.07075	0.9
58.06604	0.9
65.03942	0.3
67.05511	2.2
69.05838	0.2
79.05487	0.4
81.07050	0.4
82.06578	1.7
84.04510	2.3
84.08147	31.0
86.09703	4.4
87.01937	0.3
91.05503	0.3
95.08598	0.6
97.06536	0.3
97.07660	0.6
98.06065	0.6
106.06557	5.1
107.04987	0.3
112.07594	0.3
112.11275	0.5
121.02895	0.3
123.04462	0.3
127.08683	100.0
128.09055	0.7
135.04428	0.6
137.05972	0.5
141.06609	0.8
146.86725	0.2
149.01302	0.2
149.02296	1.2
150.02690	1.0
153.01834	1.1
169.13371	42.7
170.13716	0.4
186.06406	0.2
214.05843	0.5
215.06975	0.3
232.06836	1.0
246.12395	43.6
247.12674	0.5
259.05927	0.3
260.06348	0.9
288.06076	1.5
288.17068	49.4
289.17355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0843
Annotation	Tenofovir
Peak:m/z	Relative Intensity
50.63831	1.6
51.79956	1.5
57.07029	1.4
66.68056	1.4
69.07060	2.2
70.24924	4.8
70.25321	3.2
79.05524	4.0
81.07086	11.1
81.07505	2.6
83.05006	1.9
91.05495	3.3
93.07045	5.8
95.08579	3.7
105.07032	3.6
107.08622	3.2
116.36537	1.8
119.08573	3.6
121.02886	2.6
121.10200	2.1
122.03163	3.6
123.04442	1.7
131.08556	1.9
133.10103	2.5
134.10509	1.7
135.11667	1.7
148.12003	1.6
149.02365	9.7
150.02679	8.5
153.01779	2.5
154.02107	1.9
158.06868	2.9
170.04297	3.0
176.14438	4.8
186.06351	3.4
214.05852	5.7
231.06578	2.7
232.06891	12.9
242.05489	2.2
260.06433	10.3
263.61154	1.7
288.05771	14.5
288.08502	100.0
288.15884	6.0
288.24081	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	287.0551
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03930	0.2
57.03413	0.1
60.35115	0.1
60.76192	0.1
65.03925	0.4
67.01861	0.4
68.99442	0.2
68.99786	2.3
69.03428	0.3
69.41019	0.5
69.41444	0.4
79.05487	0.6
81.03413	0.3
81.07051	0.2
91.05480	0.2
93.07047	0.2
95.04953	0.2
101.58070	0.1
103.05466	0.2
105.03393	0.9
105.07024	0.2
107.04967	1.3
109.02892	0.6
111.00804	1.4
111.04433	0.3
111.45332	0.1
115.05466	0.2
119.04916	0.3
121.02869	6.6
121.03875	0.3
121.06451	0.2
127.03971	0.2
129.06976	0.5
133.02850	0.8
133.61482	0.1
135.04388	0.4
137.02356	2.2
141.06969	0.2
145.02867	0.2
145.06474	0.6
147.04387	1.2
153.01830	10.8
154.02191	0.1
157.06482	1.4
161.05959	0.4
165.01837	3.5
171.04378	0.7
175.03865	0.3
183.02899	1.5
185.05980	1.1
189.05498	0.4
197.05991	0.3
199.03917	0.2
203.03357	0.3
203.07021	0.3
212.39513	0.1
213.05467	3.0
217.04945	0.2
229.04903	0.4
231.06514	1.4
241.04982	1.9
243.06500	0.2
245.04405	0.2
256.06641	0.1
258.05270	2.0
259.06064	1.0
269.04379	0.4
287.05493	100.0
288.05829	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70407	0.5
52.73271	0.6
55.05518	1.3
55.22458	0.5
56.05017	1.1
57.48846	0.5
58.74725	0.5
59.04993	2.3
61.02924	4.8
62.14870	0.5
67.36083	0.5
68.05045	0.8
70.06588	1.6
70.16474	1.1
71.04993	5.0
79.05493	2.3
81.04568	1.1
81.07057	10.8
81.44006	0.5
82.05319	1.4
82.67594	0.5
83.05636	1.0
83.06105	12.5
93.04529	6.5
94.06548	0.6
95.06093	15.2
99.08133	0.6
101.00845	0.5
107.06070	2.0
109.07614	0.8
110.07168	100.0
111.05552	2.1
111.07545	0.6
112.07596	2.4
112.08745	2.3
112.90866	0.5
113.75567	0.6
120.06840	0.7
121.07651	2.0
140.07085	1.1
156.07693	12.3
158.06665	1.0
163.12308	53.6
166.06171	1.9
181.03569	0.6
185.09283	1.3
188.07661	0.9
190.13391	8.5
193.13406	1.0
208.14465	12.0
210.16016	1.0
219.11345	1.8
220.95322	0.6
224.07744	0.7
225.16025	0.6
236.13937	8.2
240.17072	8.2
241.15547	0.6
242.18666	0.8
246.57306	0.6
253.64633	0.6
254.15004	21.4
262.05038	0.8
286.17618	71.2
287.17981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03937	5.3
55.05513	22.7
57.03445	4.6
57.07074	4.8
61.64371	3.4
66.78020	3.5
67.05231	3.5
67.05514	35.4
69.06734	5.9
69.07072	68.5
69.50650	12.1
69.51085	13.2
71.04976	9.6
79.05492	23.7
81.07063	56.2
83.04963	7.9
83.08596	11.5
83.82671	3.1
85.02933	3.6
85.06538	3.8
91.05484	27.3
93.07046	38.3
95.04951	14.8
95.08614	56.1
97.06551	17.4
97.10141	10.1
99.08076	4.0
105.06404	5.4
105.07040	75.8
107.08599	44.4
109.06528	27.5
109.10164	28.9
111.08060	6.4
113.01932	3.7
117.07019	11.0
119.08594	95.1
121.06503	13.4
121.10154	39.6
123.08064	5.1
123.11716	21.4
124.07325	3.4
128.06219	3.8
129.06990	6.8
131.08551	14.6
133.10143	54.5
135.08067	17.7
135.11668	13.3
135.52361	3.5
137.09613	7.3
141.06958	3.6
143.08531	7.5
145.10117	25.5
146.07257	5.6
147.11694	30.5
149.09662	4.3
155.08530	3.6
157.10129	12.2
159.08026	5.3
159.11705	15.2
161.09621	100.0
161.13252	13.8
163.14830	3.8
165.12769	4.0
169.10115	9.7
171.11705	7.7
173.13252	9.1
175.11157	6.0
175.14836	57.7
177.16400	11.3
181.10112	4.6
182.10938	4.8
183.11703	8.2
185.13268	13.9
187.14774	4.8
193.15923	12.1
197.13283	13.6
199.14859	3.9
211.14830	13.1
215.14253	3.9
229.15892	4.9
267.21075	22.2
285.16977	10.7
285.22101	53.3
285.29837	5.8
308.15265	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23583	2.0
53.00923	3.0
53.03940	6.9
55.01866	6.5
55.05515	37.1
55.77188	2.3
57.03440	51.6
59.04990	2.8
65.03939	3.4
67.05508	54.8
67.66934	2.4
69.03416	6.2
69.07069	15.6
69.11775	2.4
71.04993	10.3
71.51824	3.8
77.70570	2.0
79.05066	3.6
79.05495	43.8
81.03422	100.0
81.07059	62.3
81.07530	5.1
83.04985	25.8
83.08154	3.1
83.08622	42.1
85.02912	77.3
85.06541	5.2
88.66916	2.6
91.05480	57.9
93.07047	31.8
93.91518	2.1
95.04375	3.3
95.04973	40.2
95.08604	30.5
97.02896	8.5
97.06518	9.7
97.10171	3.5
100.11247	6.2
105.07036	41.4
107.04985	12.0
107.05556	2.4
107.08575	12.6
109.06503	11.6
109.10204	6.0
111.04420	6.3
111.08083	19.6
113.06007	7.9
115.05458	4.8
117.06940	2.9
119.08588	36.6
121.06498	4.3
121.10146	25.1
123.08091	5.4
123.11735	5.3
125.09554	2.9
127.07550	3.4
129.07022	20.9
131.08577	16.9
133.06442	3.7
133.10136	19.9
142.07797	3.6
147.08052	6.6
147.11703	34.7
149.09621	9.9
157.10165	24.0
165.06999	3.3
165.12727	10.3
175.11211	31.1
193.12247	93.7
211.13304	54.0
221.06064	2.6
225.09142	3.9
250.09509	2.5
253.08594	7.0
255.41548	2.8
263.41586	2.6
267.15900	4.7
285.07578	6.0
285.11612	5.1
285.16980	69.9
285.21750	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01865	3.8
55.05509	19.8
57.03443	23.9
65.03922	1.9
67.05511	42.4
69.03440	1.7
69.07073	17.9
69.75147	4.7
69.75570	4.7
71.05003	7.8
79.05063	2.5
79.05496	28.2
81.02940	2.1
81.03423	44.5
81.07064	100.0
83.04977	12.9
83.08625	22.5
85.02911	10.2
85.06534	6.9
91.05490	31.1
93.07050	17.0
95.04988	12.9
95.08614	23.4
97.06525	7.7
99.08096	4.9
105.07037	45.9
107.04980	2.0
107.08611	14.4
108.10399	1.4
109.06530	7.8
109.10131	2.3
111.04498	1.8
111.08121	7.1
113.05992	2.6
117.07023	1.8
119.08593	35.5
121.10142	22.4
123.08095	6.7
123.11723	25.5
127.07571	3.7
129.07045	6.6
131.08572	5.8
133.06479	1.7
133.10164	5.7
137.13269	3.8
147.11696	82.3
149.09634	3.6
157.10172	8.8
165.12769	40.7
175.11234	9.9
183.13797	4.8
193.12262	26.8
211.13263	6.7
229.14380	6.4
248.34561	1.5
267.15933	7.6
274.74551	1.6
285.07581	4.1
285.16989	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01859	4.0
55.05512	33.1
57.03440	55.9
57.07059	6.5
65.03933	2.8
67.05508	48.5
69.03423	5.2
69.07053	15.2
71.04997	12.8
71.08622	6.3
79.05492	42.1
81.03421	86.9
81.06597	3.7
81.07058	69.7
83.04981	23.5
83.08163	3.0
83.08621	36.0
85.02905	100.0
85.06519	2.5
85.10184	2.3
91.05479	49.7
92.96502	2.1
93.07041	29.6
95.04971	39.1
95.08609	27.9
97.02868	5.3
97.06538	7.3
97.10152	4.2
99.08118	4.4
105.07029	45.7
107.04944	9.4
107.08604	15.3
109.06509	7.0
109.10149	8.4
111.04408	4.5
111.08098	21.1
111.35828	2.2
113.05993	7.7
117.06932	2.8
119.08571	33.0
121.06487	2.9
121.10159	15.0
123.08021	4.8
123.11684	6.7
129.07033	13.2
131.08549	17.0
133.06424	3.2
133.10118	16.5
135.11725	2.7
137.09645	3.3
142.07751	3.9
145.10144	2.9
147.08063	5.0
147.11682	32.5
149.09628	11.4
157.10124	25.1
163.11172	2.6
165.12807	5.9
175.11191	27.3
193.12247	93.2
211.13287	65.2
276.38004	2.6
285.12122	2.6
285.16986	57.6
285.24265	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93120	0.6
52.65945	0.7
53.03952	1.6
55.01878	2.2
55.05510	16.9
57.03153	1.2
57.03439	23.1
59.05016	1.1
65.03934	1.4
67.05503	35.0
69.03438	1.7
69.07067	20.0
69.68594	3.7
71.04996	6.7
73.06561	0.9
77.03925	0.9
79.05492	20.9
81.03408	0.8
81.07056	100.0
83.04977	6.8
83.08624	9.0
85.02917	1.2
85.06532	7.2
87.04471	0.7
91.05480	27.2
93.07047	13.6
95.04982	4.1
95.08609	19.9
96.78832	0.7
97.06542	7.6
97.10155	0.7
98.21579	1.3
99.08090	5.5
101.06010	1.9
105.07031	37.0
107.08597	11.8
109.06525	5.6
109.10143	2.6
111.08109	1.6
113.05992	2.2
116.49487	0.6
117.06990	0.9
119.08582	31.7
121.10143	21.5
123.04471	1.0
123.08076	6.0
123.11709	32.1
127.07570	4.7
127.08438	0.8
129.07031	4.0
131.08588	2.0
133.10112	3.9
137.09581	1.4
137.13248	2.3
141.09097	1.8
142.07822	0.9
145.10124	0.9
147.11687	78.4
148.12015	1.0
149.09628	1.3
157.10136	4.9
165.07050	1.0
165.12755	37.6
175.11188	5.5
183.13812	3.9
193.06564	1.1
193.12270	3.9
211.13173	0.8
221.05905	0.8
224.11960	0.7
226.52573	0.7
229.14386	10.9
253.08710	2.2
267.15860	4.7
285.07742	1.5
285.11444	2.1
285.16965	44.3
286.17291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01865	2.3
55.05515	16.6
57.03440	23.2
57.87044	0.9
59.04988	1.1
65.03915	1.8
67.05504	34.6
69.03419	1.2
69.07072	17.4
69.62830	6.1
71.04992	7.1
79.05496	19.9
79.46416	0.9
81.07059	100.0
83.04969	7.7
83.08624	9.6
85.06535	6.5
87.04491	1.1
91.05482	25.0
92.19918	0.9
93.07046	12.4
95.04955	2.9
95.08607	20.5
97.06528	7.3
97.10169	1.0
98.20810	1.3
99.08081	5.0
105.07030	36.7
107.08601	11.2
109.06546	6.2
109.96427	0.9
111.08070	1.0
113.05974	1.4
119.08588	30.3
121.10148	18.5
123.08056	3.4
123.11715	34.8
127.07560	2.4
129.07005	2.0
131.08569	2.6
133.10120	2.2
137.09618	1.3
137.13240	2.4
141.09122	0.9
145.10013	1.1
147.11690	71.1
148.12083	1.1
157.10120	3.1
165.12758	39.0
165.14151	2.2
175.11211	4.2
183.13791	4.2
193.12254	3.0
229.14290	6.8
246.34727	0.9
267.15878	4.6
285.16977	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
55.01860	6.2
55.05515	30.2
57.03439	51.7
59.04997	2.5
65.03947	3.3
65.16490	1.5
67.05508	51.4
69.03423	8.9
69.07076	11.7
69.99252	5.1
71.01357	1.5
71.04992	14.1
79.05499	42.4
81.03421	100.0
81.06589	2.9
81.07057	55.0
83.04988	28.5
83.08160	2.2
83.08624	32.5
84.93590	1.4
85.02909	85.8
85.06551	3.9
87.02824	1.5
87.04465	2.2
91.05486	50.9
91.58907	1.4
93.07046	31.7
95.04972	45.7
95.08615	21.4
97.02887	5.8
97.06521	7.7
97.10172	3.5
99.08075	2.1
103.05449	2.0
105.07034	46.5
107.04938	6.0
107.08618	14.2
109.06544	9.1
109.10143	7.2
111.04448	6.5
111.08082	16.3
113.05987	6.9
115.05446	2.9
117.06982	3.2
119.04932	2.0
119.08585	35.2
121.06512	3.3
121.10158	19.9
123.08070	6.8
123.11717	5.7
125.09646	2.9
127.43463	1.6
129.07024	15.8
131.04857	1.5
131.08565	18.8
133.06499	4.5
133.10143	18.1
135.04346	2.4
137.09656	3.4
142.07793	5.1
145.10120	4.2
147.08047	4.1
147.11691	26.2
149.09644	11.4
151.03998	2.9
151.07460	1.7
153.01770	1.6
157.10121	18.6
161.06001	2.1
163.03847	1.9
165.07004	3.8
165.12791	9.0
175.11177	26.8
181.05005	1.8
189.05435	1.8
193.06567	1.7
193.12247	74.1
210.06822	2.1
211.13290	48.1
211.15291	2.4
221.06007	2.6
225.09120	4.8
229.05084	2.8
239.07280	1.8
253.08598	8.4
256.60425	1.8
257.04633	2.0
267.15924	3.8
285.04016	5.2
285.07623	2.9
285.11505	6.0
285.16971	57.9
285.21896	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01875	2.1
55.05268	1.2
55.05516	16.5
57.03444	20.4
59.05000	0.7
65.03931	1.6
67.05512	35.2
69.07074	20.9
69.69189	0.7
71.05001	5.2
73.15473	0.7
73.28358	0.8
79.05067	1.1
79.05501	17.3
81.03414	1.4
81.07066	100.0
82.07381	0.7
83.04991	8.5
83.08630	8.5
85.02911	1.2
85.06547	4.7
87.04493	1.2
91.05490	26.1
92.13770	0.7
93.06482	1.2
93.07054	12.2
95.04961	2.9
95.08615	21.7
96.62457	0.8
97.06542	8.1
97.10178	1.3
99.04493	1.0
99.08105	4.4
105.07044	37.5
107.08601	13.8
109.06522	5.3
109.10165	2.2
111.08065	1.9
113.06007	2.3
113.69357	0.8
117.07040	1.0
119.08601	29.1
121.10158	22.6
123.08065	3.2
123.10828	1.7
123.11721	30.2
127.07533	2.1
129.07022	1.3
131.08589	1.0
133.10132	3.3
137.13242	2.8
141.09117	1.6
145.10118	1.5
147.11702	66.4
157.10210	3.9
165.12776	37.6
175.11212	3.3
183.13837	5.3
193.12292	3.2
229.14372	4.5
239.80023	0.9
267.15909	3.6
285.16949	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01857	1.4
55.05280	1.0
55.05520	16.9
57.03442	21.5
57.07078	2.4
59.65173	0.8
60.08120	1.0
62.94711	0.8
66.23209	0.9
67.05512	34.8
69.03430	1.2
69.07075	21.0
71.04990	6.0
71.51466	1.0
72.36909	0.8
73.06564	1.2
79.05075	1.5
79.05502	21.3
81.03426	2.1
81.07064	100.0
83.04999	7.2
83.08627	9.3
85.02890	1.4
85.06548	6.6
91.05488	27.5
93.07047	12.2
95.04961	3.2
95.08614	23.1
95.36840	0.8
97.06546	8.8
97.10169	1.7
99.08112	5.6
101.06001	2.3
102.22421	1.0
104.37809	0.9
105.07043	38.3
107.08610	11.9
109.06544	5.0
109.10113	2.1
110.41510	0.9
111.08083	1.2
113.05999	1.7
115.05393	0.9
115.07567	1.0
119.08598	29.8
121.09322	1.7
121.10151	21.4
123.08089	4.2
123.11715	31.0
127.07559	3.6
127.23472	0.9
129.07001	2.5
131.08546	2.5
131.68532	0.9
133.10135	3.0
137.09592	1.1
137.13246	3.8
141.09090	1.6
145.10117	1.5
147.11697	74.0
157.10123	4.6
159.11639	1.3
165.12779	38.0
171.30414	0.9
175.11171	3.6
183.13809	4.0
193.12218	4.4
199.45255	0.8
207.96342	0.9
211.13333	1.5
222.66275	0.9
229.14290	4.2
253.08624	1.0
267.15942	4.0
285.16962	42.1
285.21835	2.0
285.33154	1.2
286.17343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01867	3.6
55.05515	21.8
57.03441	29.9
57.07074	2.4
60.48706	1.5
65.03929	2.1
67.05508	39.1
69.03435	2.9
69.07077	22.8
69.68697	4.2
69.69112	5.2
71.05003	9.8
76.30247	1.7
79.05499	26.6
81.03425	54.8
81.07063	100.0
83.04975	13.2
83.08627	23.8
85.02914	14.6
85.06549	6.6
91.05492	38.9
91.05978	1.1
93.07049	21.4
95.04987	18.9
95.08613	24.4
97.02910	3.9
97.06006	1.3
97.06533	10.2
99.08105	6.0
105.07040	40.5
107.04974	5.0
107.08583	16.3
109.06519	7.5
109.10159	4.6
111.04500	1.4
111.08050	7.4
113.06015	3.0
115.05471	1.7
117.07063	3.1
119.07813	2.7
119.08599	39.3
119.09461	2.0
121.06517	2.5
121.10143	22.4
123.08067	5.3
123.11716	31.7
127.07599	3.2
129.07030	7.9
131.08549	7.8
133.10124	7.9
137.09669	2.8
137.13303	2.1
144.95270	1.5
145.10152	2.5
147.04442	2.0
147.08070	2.8
147.11693	83.0
149.09605	3.7
155.99858	1.5
157.10118	9.6
165.12778	39.7
175.11220	13.7
183.13834	2.7
189.64847	1.6
193.12265	36.4
211.13309	15.5
225.09149	3.3
229.12392	1.7
229.14394	6.8
253.08490	3.1
267.15869	7.7
267.21075	2.5
285.07816	2.5
285.11295	5.0
285.16977	48.2
285.21826	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	285.17
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	4.6
55.01871	2.0
55.05272	1.6
55.05516	12.6
57.03443	14.5
59.04992	1.3
61.16956	1.1
65.03943	1.6
65.41501	1.2
67.05511	15.0
69.03432	2.2
69.07064	4.6
70.90151	2.5
70.90479	1.3
71.04990	4.3
79.05497	16.8
81.03423	100.0
81.06593	1.9
81.07057	20.7
83.04976	7.6
83.08624	23.9
85.02912	21.0
85.06537	1.6
91.05486	20.8
93.07057	11.9
95.04974	27.8
95.08621	7.1
97.02901	3.1
97.06523	2.8
97.10180	3.8
97.67059	1.3
99.08024	1.1
101.95926	1.1
105.07042	16.5
107.04951	6.8
107.08614	7.2
109.06503	4.4
109.10197	1.7
111.04446	2.9
111.08086	11.8
113.05972	1.6
115.05490	2.0
119.04829	1.3
119.08587	15.3
121.10132	7.6
123.04434	1.4
123.11736	2.0
125.09663	1.4
129.07014	11.1
131.08583	8.5
133.06485	2.1
133.10127	5.2
137.09628	1.6
142.07774	3.3
147.08084	1.9
147.11705	10.9
149.09622	5.3
157.10130	10.7
161.05939	1.6
165.07024	1.7
165.12770	2.9
175.11179	15.2
184.67209	1.2
193.12256	57.9
211.13290	18.7
229.14389	1.9
236.20938	1.3
253.08568	1.9
267.15866	8.8
285.07623	3.9
285.11313	3.5
285.17023	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.9
56.35620	1.3
57.03441	20.2
57.07067	3.6
67.05510	35.0
69.07076	16.2
70.75661	4.2
71.04995	5.7
76.72840	1.2
79.05088	1.6
79.05502	19.9
81.07063	100.0
83.04965	5.9
83.08612	10.9
85.06554	6.2
85.10155	1.4
91.05489	25.1
93.07046	13.9
95.04979	2.5
95.08611	19.8
97.06519	7.5
97.10167	1.4
99.08123	3.3
101.05939	1.7
105.07040	37.5
107.08606	13.2
109.06559	6.2
109.10133	2.5
111.08074	1.7
113.73706	1.2
116.10764	1.7
119.08598	27.0
121.10150	21.4
123.08056	4.0
123.11721	27.7
127.07523	2.2
129.07008	2.4
131.08595	1.7
133.10136	3.2
137.13210	3.1
147.07983	1.5
147.11699	75.7
157.10135	2.0
165.12776	40.1
166.45950	1.2
175.11220	4.0
176.99052	1.3
183.13832	4.4
193.12238	3.1
211.13362	1.5
229.14397	4.4
267.15933	3.5
284.29428	1.8
285.16998	40.4
285.29828	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77597	1.1
51.31985	1.2
51.45460	1.1
53.03929	1.6
55.01860	3.4
55.05512	1.5
55.92620	1.2
57.03428	4.3
63.00034	1.8
65.58710	1.1
67.05487	4.2
69.03411	2.7
69.40597	6.5
70.06584	4.8
75.04501	1.4
77.03937	1.4
79.05501	8.8
81.03428	6.0
81.07045	4.5
84.04507	2.0
91.05486	21.9
93.03383	1.7
93.07014	4.2
95.04965	4.2
95.08582	1.4
97.06551	1.4
98.98443	1.3
100.11240	3.4
103.05477	3.2
105.03383	3.5
105.07037	20.3
106.04134	2.4
107.04962	14.4
109.06503	4.4
111.08035	1.4
115.05441	4.3
118.04189	1.7
119.04947	22.3
119.08561	2.4
121.06487	10.6
121.10149	1.5
122.07339	1.2
123.04437	6.8
123.08018	2.2
124.99991	1.2
125.02397	1.1
125.06013	2.5
133.06497	16.6
134.03635	4.2
135.04428	7.9
135.08057	1.6
136.05257	5.6
137.05963	3.7
139.03877	1.3
140.04701	10.5
143.06071	1.6
147.04393	6.2
149.05988	18.4
151.03952	1.6
151.07538	12.9
152.04625	1.3
153.05472	100.0
155.80038	1.6
156.08401	1.9
157.10066	1.3
159.11682	1.5
161.05992	56.3
161.13152	1.3
163.03885	2.5
165.05447	2.1
165.06987	1.9
167.07072	16.9
168.07825	71.2
175.07605	2.5
177.05469	4.2
178.06389	1.3
179.07034	13.6
181.08607	4.6
193.08618	26.6
193.12257	1.7
194.08978	1.4
196.07323	60.0
196.09119	3.0
203.07074	4.1
205.05000	1.4
209.08116	4.1
210.11266	2.0
211.07605	2.8
211.09657	49.2
216.57141	1.3
221.06213	1.3
221.08142	4.6
225.09096	2.5
237.11276	1.5
252.96986	1.5
253.08502	2.8
257.08066	1.9
285.07523	7.8
285.12265	2.9
285.22070	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	285.0971
Annotation	globosumone C
Peak:m/z	Relative Intensity
52.47118	2.3
53.03949	4.5
55.01880	16.2
55.05501	5.1
57.03433	5.9
59.99308	2.1
61.02920	4.5
63.00038	3.0
64.71774	2.4
65.03931	3.8
67.05489	7.1
68.99801	7.0
69.03086	3.2
69.03432	43.5
69.07050	3.7
70.06577	4.5
71.50661	2.8
79.05495	18.1
81.03427	12.8
81.06673	1.9
81.07073	21.7
83.04987	7.5
83.08617	2.4
84.04495	8.4
85.02911	28.8
86.00643	3.4
91.05498	13.8
93.03416	12.1
93.07063	9.2
94.06568	4.0
95.04964	9.7
97.02884	8.7
98.98463	3.4
99.04445	4.6
100.11252	7.7
103.05511	2.7
105.07031	8.1
107.04964	22.5
109.02900	13.7
109.06525	2.8
111.04440	19.5
114.05524	8.3
115.05471	2.3
117.07055	2.8
119.08553	3.1
121.02834	3.6
121.06504	17.7
123.04418	16.0
125.05999	8.8
127.03896	4.8
129.06999	5.9
130.04996	5.4
131.04897	3.6
133.06502	8.5
135.04416	71.5
136.85373	2.3
139.03906	33.9
139.05710	2.8
141.01822	5.5
142.04970	12.3
147.04440	5.9
147.08034	3.0
149.05998	18.6
151.03917	79.6
153.05476	8.3
156.08447	18.2
157.06531	2.6
160.05278	4.0
161.05997	16.6
163.03914	59.1
165.05595	5.7
165.06979	4.2
168.06554	5.8
173.06064	5.6
175.07587	7.1
177.05504	33.8
178.08650	4.4
179.03416	3.7
179.07001	6.9
179.08882	4.1
181.04968	93.1
181.06543	5.3
185.06012	7.3
189.05482	32.8
192.09926	2.2
193.04967	5.2
193.06573	3.0
193.08575	2.4
193.12140	2.8
203.07004	24.2
205.04991	77.7
207.06714	4.4
207.08479	10.4
210.11278	36.6
213.05493	4.3
219.08385	2.9
221.06029	3.1
221.08066	3.5
225.09102	5.8
231.06525	100.0
239.06898	2.7
249.07579	70.6
253.08694	4.7
267.08646	5.3
285.03922	8.2
285.07541	15.3
285.09979	7.1
285.24188	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	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
56.05075	0.5
57.03437	0.4
63.58664	0.4
67.05488	1.6
69.07058	1.5
70.02956	2.1
70.67178	1.2
72.04504	0.4
79.05495	2.7
81.07061	2.7
83.08615	0.9
88.03990	0.9
90.05575	0.5
91.05468	1.0
93.07049	5.7
94.06561	0.7
95.08632	2.2
96.08136	0.8
98.06082	0.7
105.07022	0.7
106.06589	0.6
107.08598	2.9
108.08125	9.0
109.08852	1.1
109.10173	0.9
110.05996	0.5
110.09669	2.2
111.08129	0.5
116.03427	0.5
117.28091	0.4
118.05045	0.6
119.08538	0.5
121.02847	0.4
122.09675	7.5
122.10523	0.8
123.10439	1.5
124.11234	0.5
133.10124	0.6
134.09645	0.6
135.11684	4.2
136.11206	2.8
137.13223	0.5
139.07558	0.8
140.10725	0.9
148.11194	0.6
150.12784	12.6
151.13573	7.0
164.14366	1.6
165.06717	0.4
166.12341	1.1
166.15892	1.0
167.07065	0.6
168.06601	1.0
170.08092	0.5
176.14342	0.5
176.86983	0.4
178.15926	6.1
179.14337	0.7
180.10205	0.6
182.08017	0.5
186.11249	1.3
192.13797	0.5
193.24655	0.4
194.15424	2.9
196.09715	0.8
198.11284	0.6
210.11249	2.1
210.14896	3.1
211.07509	0.4
211.12091	0.8
222.14885	0.6
238.14395	1.3
238.18068	0.4
240.15952	100.0
241.16270	1.1
242.17485	5.7
284.18573	53.5
285.18774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
56.05075	0.5
57.03437	0.4
63.58664	0.4
67.05488	1.6
69.07058	1.5
70.02956	2.1
70.67178	1.2
72.04504	0.4
79.05495	2.7
81.07061	2.7
83.08615	0.9
88.03990	0.9
90.05575	0.5
91.05468	1.0
93.07049	5.7
94.06561	0.7
95.08632	2.2
96.08136	0.8
98.06082	0.7
105.07022	0.7
106.06589	0.6
107.08598	2.9
108.08125	9.0
109.08852	1.1
109.10173	0.9
110.05996	0.5
110.09669	2.2
111.08129	0.5
116.03427	0.5
117.28091	0.4
118.05045	0.6
119.08538	0.5
121.02847	0.4
122.09675	7.5
122.10523	0.8
123.10439	1.5
124.11234	0.5
133.10124	0.6
134.09645	0.6
135.11684	4.2
136.11206	2.8
137.13223	0.5
139.07558	0.8
140.10725	0.9
148.11194	0.6
150.12784	12.6
151.13573	7.0
164.14366	1.6
165.06717	0.4
166.12341	1.1
166.15892	1.0
167.07065	0.6
168.06601	1.0
170.08092	0.5
176.14342	0.5
176.86983	0.4
178.15926	6.1
179.14337	0.7
180.10205	0.6
182.08017	0.5
186.11249	1.3
192.13797	0.5
193.24655	0.4
194.15424	2.9
196.09715	0.8
198.11284	0.6
210.11249	2.1
210.14896	3.1
211.07509	0.4
211.12091	0.8
222.14885	0.6
238.14395	1.3
238.18068	0.4
240.15952	100.0
241.16270	1.1
242.17485	5.7
284.18573	53.5
285.18774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.7
58.06565	0.5
61.90000	0.4
67.05486	1.3
69.07058	1.7
70.02959	2.4
70.06580	0.7
71.50706	0.8
72.04498	0.5
74.02436	0.6
79.05505	3.1
80.05034	0.4
81.07071	2.5
82.06588	1.0
83.08623	0.7
84.04514	0.7
86.09691	0.8
88.03979	1.3
91.05482	1.4
93.07053	5.1
94.06558	0.8
95.08614	2.5
96.08077	0.6
98.06029	0.5
104.35712	0.4
105.07023	1.5
107.08590	2.8
108.07440	0.6
108.08127	8.4
109.08900	0.8
109.10128	1.0
110.09673	1.4
116.03446	0.9
118.05022	0.8
119.08556	0.6
121.10074	0.6
122.09681	6.6
123.10456	1.4
124.07611	0.5
124.11214	0.8
134.09790	0.4
135.11722	3.5
135.25003	0.4
136.07584	0.6
136.11247	3.5
137.13245	0.4
138.09171	0.6
139.07472	0.5
140.10713	0.6
148.11182	0.7
150.12798	10.7
151.13577	6.8
152.10655	0.4
154.08585	0.4
156.06560	0.5
164.14334	1.3
166.12286	0.9
166.15906	0.9
168.06616	1.3
176.14354	0.7
178.15927	4.5
180.10138	0.7
182.08215	0.6
186.11258	1.1
194.15431	3.0
195.07979	0.4
196.09715	1.0
198.11261	0.6
206.08224	0.6
210.11293	2.3
210.14891	3.8
212.12915	0.5
215.71822	0.5
238.14409	0.9
240.15964	100.0
241.16354	0.8
242.17500	4.9
255.12601	0.6
284.06427	1.3
284.18591	56.2
284.29388	0.9
285.19061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.099
Annotation	Guanosine
Peak:m/z	Relative Intensity
57.03437	0.5
58.99855	1.5
69.03423	1.1
69.89130	2.8
72.69164	0.5
77.00927	0.7
84.08138	0.9
85.02909	1.3
91.05473	0.6
97.02868	1.0
98.21488	0.6
101.00883	4.0
107.03502	0.7
110.03537	2.4
111.02960	0.9
116.98755	0.7
119.01928	5.8
125.04520	0.5
129.03972	3.7
131.01939	1.1
135.03018	7.7
137.02998	0.8
139.02449	0.7
140.98856	1.0
142.03418	0.5
143.01904	0.9
143.05550	0.6
145.03554	0.5
147.05028	1.8
151.02451	0.6
152.05679	100.0
153.02124	0.6
153.04065	6.3
155.05524	0.5
158.99936	2.2
159.05061	1.0
163.06306	0.5
166.99463	0.5
168.08366	0.6
169.03476	1.5
170.06689	0.7
171.03308	1.6
171.05057	8.0
173.06612	2.2
177.00967	6.0
178.01044	1.2
181.03456	2.1
182.99890	0.7
186.06020	0.6
187.04526	1.9
189.04324	1.4
189.06099	6.7
191.07599	0.7
194.04900	0.6
197.02979	1.8
199.04588	3.3
201.00926	1.9
201.02580	0.7
205.03819	0.9
214.05685	0.8
215.03969	4.1
217.04007	1.1
219.01982	8.9
220.02126	1.4
225.00742	1.0
225.02626	0.7
243.01927	4.7
243.03682	4.0
256.06705	1.7
260.01779	1.0
261.03091	44.8
261.04910	13.8
262.03290	2.4
266.05191	1.4
274.03186	0.6
279.00421	0.5
279.05585	2.2
284.06192	5.2
284.09674	1.2
303.05612	1.9
308.68292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03939	2.4
55.01875	6.2
55.05514	10.6
57.03420	5.4
57.07074	3.1
59.04988	1.2
67.05184	1.4
67.05508	21.7
68.05852	1.6
69.03430	5.3
69.07078	12.1
71.04997	7.5
71.51147	1.4
73.35551	1.2
79.05502	19.1
81.03421	2.7
81.07060	27.1
83.04989	15.9
83.08637	6.2
85.06565	1.7
89.06037	3.9
91.05482	19.0
93.06483	2.0
93.07048	35.0
95.04968	12.2
95.08617	23.3
97.02856	1.9
97.06540	8.1
99.04504	1.1
103.05472	2.4
105.07042	49.2
107.04945	3.4
107.08603	29.8
109.06525	7.2
109.10151	17.4
111.04437	8.1
111.08072	4.4
115.05480	2.8
117.07029	10.7
119.08586	38.7
121.06524	10.5
121.10150	100.0
123.08073	6.4
123.11717	8.7
127.62225	1.3
128.06200	4.0
129.06993	4.5
130.07768	4.3
131.08585	23.5
133.07587	2.6
133.08572	2.3
133.10139	26.0
135.08067	7.7
135.11711	18.9
136.25198	1.2
137.09572	2.1
141.06966	2.3
142.07793	3.6
143.08568	14.7
144.09346	2.7
145.10138	41.2
146.07307	1.8
147.08070	2.8
147.11690	9.0
149.09573	2.6
149.13260	2.7
153.12753	10.3
155.08533	2.9
156.09357	3.8
157.10127	18.2
158.10938	8.3
159.08063	2.9
159.11676	13.5
161.09631	24.1
161.13263	5.7
163.11201	16.9
165.07021	2.4
166.07671	1.3
169.10123	6.1
170.10962	2.5
171.08038	1.9
171.11694	14.7
173.09637	4.8
173.13287	41.5
175.11229	3.1
175.14836	6.7
179.08604	3.0
180.09299	1.6
181.10178	5.8
181.12218	7.5
182.10875	1.8
183.11646	6.3
184.12361	1.6
185.09590	2.6
185.13353	7.2
187.11162	2.0
187.14809	7.6
189.12746	3.2
191.10706	4.1
193.10091	3.2
194.10898	3.0
195.11740	10.4
196.12276	1.5
197.13261	4.4
199.11188	3.6
199.14795	6.5
201.12732	2.2
201.16412	5.2
203.14273	1.6
207.11707	1.9
208.12421	2.3
209.11661	1.7
209.13298	11.0
210.14116	2.0
211.14803	2.6
213.12743	3.9
213.16338	3.5
223.14799	7.9
225.16370	4.5
227.12526	12.2
227.14426	4.2
239.17896	2.8
241.15898	2.4
250.17195	1.5
255.20976	7.5
265.19574	20.0
265.41510	1.2
283.06183	1.6
283.15860	13.3
283.20557	95.1
284.20914	1.4
284.29434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2059
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
50.02473	1.2
53.03934	4.2
55.01863	3.7
55.05511	13.0
57.03423	4.7
57.07081	3.4
65.35004	1.4
67.05176	1.8
67.05511	23.7
69.03423	7.8
69.07078	11.1
71.05016	9.4
75.29831	1.4
79.05495	17.8
81.03410	1.6
81.07066	33.2
83.04980	5.8
83.08631	7.5
87.93326	1.6
89.06016	3.8
91.05489	21.1
93.06480	2.3
93.07050	33.7
95.04977	12.9
95.08614	26.0
97.02876	2.1
97.06524	6.2
98.20750	4.4
103.05494	1.6
105.04546	1.3
105.07040	49.0
107.04967	4.4
107.08596	30.7
109.06519	9.0
109.10155	15.6
111.04449	4.8
111.08090	3.6
113.11720	1.2
115.05479	1.6
117.07047	9.1
117.26429	1.2
119.08595	33.5
121.02914	1.8
121.06510	9.5
121.10152	82.2
123.08070	5.8
123.11706	9.1
125.09647	3.0
128.06212	4.7
129.07011	6.6
130.07765	5.9
131.08588	23.8
133.07605	3.6
133.10136	27.2
135.08078	9.0
135.11693	17.3
137.09610	1.6
139.11168	1.5
141.06966	2.6
142.07788	6.3
143.08571	20.8
145.06514	1.5
145.10132	42.1
146.07240	2.7
147.08066	3.9
147.11703	7.8
149.09607	3.3
149.13280	3.6
150.93956	1.3
153.12756	5.1
155.08614	4.7
156.09344	4.5
157.10135	20.7
158.10915	6.8
159.08066	3.8
159.11702	18.5
161.09642	24.3
161.13254	5.2
163.11188	17.7
166.07823	1.7
167.08575	3.4
169.10184	7.0
170.10985	3.2
171.11736	13.4
173.09648	8.1
173.13281	44.7
175.11218	5.6
175.14865	7.7
179.08577	4.7
180.09337	2.1
181.10153	4.5
181.12265	4.1
183.11705	6.2
185.09627	2.6
185.13284	9.4
187.11237	2.9
187.14748	9.0
189.12766	3.9
193.10083	1.6
194.10925	5.6
195.11729	7.6
196.12547	1.8
197.13297	5.7
199.11281	1.9
199.14781	8.9
201.12747	2.5
201.16406	3.9
203.14516	1.7
207.11740	2.9
208.12498	3.1
209.11829	2.3
209.13354	13.5
210.14043	2.3
211.14900	2.8
213.12746	5.8
213.16429	4.1
215.14326	2.4
223.14848	7.4
225.16405	4.1
227.12531	12.6
227.14410	4.4
233.41118	1.5
235.14784	2.4
239.17998	2.9
241.15755	2.6
253.19374	1.9
255.21135	11.5
265.19516	19.0
283.15952	9.4
283.20593	100.0
284.21002	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01876	5.8
55.05269	1.1
55.05516	13.3
57.03445	12.7
57.07076	1.4
57.42719	0.7
64.21175	0.8
65.03934	1.3
67.05183	1.3
67.05515	19.8
69.03423	3.1
69.07069	9.1
71.04999	3.9
73.02934	2.0
79.05506	28.5
81.03416	4.0
81.07068	21.6
83.04999	4.5
83.08625	8.6
85.06544	1.7
85.07052	0.9
91.05495	7.7
93.07055	36.8
95.04980	6.8
95.08620	39.4
96.08946	0.9
97.02917	4.9
97.06554	4.5
97.10154	1.4
99.04460	4.4
100.11267	1.5
103.05492	1.3
105.04526	1.0
105.07038	9.5
107.04974	10.8
107.08612	31.8
109.06531	2.4
109.10154	3.9
111.04449	1.9
111.08067	2.1
113.05975	1.5
113.09567	0.7
113.77258	0.8
115.05424	1.0
117.07032	10.3
118.75419	0.8
119.08581	10.1
121.02881	10.6
121.06515	5.8
121.10150	14.2
125.05985	3.1
130.07809	2.1
131.04921	1.2
131.08548	1.5
133.10158	3.5
135.08037	3.1
135.11711	49.1
136.11984	0.9
139.07567	2.7
143.08601	1.2
145.06529	1.0
145.10141	31.2
147.11717	0.9
149.13307	2.4
153.06920	1.1
153.12776	1.4
155.08533	0.9
159.11694	0.9
163.11200	66.1
164.11549	1.3
165.01862	1.9
173.09560	1.4
181.12251	16.6
191.10735	0.9
195.08186	1.0
197.09271	0.7
203.17897	1.0
209.11592	2.2
224.94897	0.7
227.12804	100.0
228.13106	1.3
237.05464	1.3
240.07860	1.4
249.05692	1.0
283.06042	7.1
283.09729	2.4
283.15417	21.9
283.20605	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01867	4.6
55.05512	15.4
57.03445	11.4
57.07069	3.8
65.03923	1.1
67.05509	18.0
67.05845	0.8
69.03432	1.7
69.07072	10.4
69.76509	5.3
71.04980	3.5
71.08656	1.0
73.02933	1.0
79.05499	28.6
81.03429	2.1
81.07061	19.7
83.01295	1.1
83.04976	3.7
83.08147	1.3
83.08618	11.1
84.08942	1.1
85.06557	1.0
89.06023	4.1
90.43400	1.0
91.05488	9.2
93.07052	44.6
95.04974	7.8
95.08614	40.9
96.08925	1.1
97.02899	4.5
97.06523	4.5
97.10180	2.5
98.10457	0.9
99.04468	5.2
100.96410	0.8
103.05437	1.4
105.07033	9.3
107.04958	11.7
107.08607	29.0
109.06506	2.8
109.10185	1.8
111.04451	1.7
111.08096	1.9
113.06039	1.2
117.07021	12.1
119.08596	10.6
120.65485	1.0
121.06527	7.3
121.10150	11.7
121.78104	0.9
125.06010	2.5
127.09532	1.0
130.07808	2.5
131.08601	1.6
133.08636	1.5
133.10130	3.4
134.09602	1.2
135.08084	2.3
135.11702	52.1
136.11971	1.2
139.07553	2.3
145.10135	25.8
145.11292	1.2
153.12868	1.5
163.11197	70.0
172.55074	0.9
173.09642	2.3
181.12247	16.7
209.11816	1.6
227.12799	100.0
228.13057	1.4
243.86852	1.1
275.54663	1.0
283.15338	18.9
283.22446	3.8
283.28238	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01877	5.2
55.05267	1.0
55.05510	11.7
57.03194	1.1
57.03437	11.5
57.07062	1.0
57.66883	0.8
64.48505	0.8
65.03923	2.8
67.05505	21.3
69.03416	2.9
69.07073	6.1
69.46709	3.4
69.47118	2.1
71.04975	3.2
73.02918	1.4
76.14330	0.7
79.05495	31.4
80.05819	2.3
81.03419	4.1
81.07059	22.4
83.04967	3.9
83.08618	8.7
85.02892	1.2
85.06517	1.1
91.05486	11.5
93.07047	42.7
95.04977	9.0
95.08611	41.9
95.09125	0.5
95.09245	0.8
96.08908	1.1
97.02901	6.6
97.06534	4.4
97.10127	1.0
98.97580	1.0
99.04462	4.0
103.05485	5.8
104.05789	3.6
105.07027	9.0
107.04959	14.2
107.08600	30.4
108.05254	2.4
109.06493	1.9
109.10116	4.4
111.04430	2.2
111.08055	1.5
113.06014	0.8
117.07021	9.2
119.08582	11.8
121.02874	10.2
121.06501	7.6
121.09332	1.2
121.10148	14.5
125.05986	3.1
127.51259	0.7
129.06993	1.3
130.07793	2.6
131.04916	2.4
131.08604	1.9
132.05257	1.5
133.10103	2.4
134.09639	4.5
135.08026	2.6
135.09987	2.7
135.11696	50.9
139.03880	0.8
139.07538	2.4
143.08533	1.3
145.10129	33.1
146.10477	0.9
148.38692	0.8
151.03915	16.5
151.05034	1.0
153.12778	1.4
155.08527	1.0
163.11191	72.6
164.11469	0.9
173.09642	2.2
181.12224	15.7
209.11765	2.1
227.12785	100.0
228.13104	1.9
237.05409	1.6
242.09506	0.9
283.06210	7.5
283.09747	2.0
283.15311	35.8
283.20816	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01861	5.7
55.05510	12.8
57.03441	12.9
57.07077	1.5
65.03933	2.4
67.05508	19.9
69.03422	2.5
69.07073	10.2
69.85971	4.8
71.04988	3.6
73.02899	1.3
79.05495	30.5
80.99805	1.0
81.03416	6.0
81.07057	22.8
82.15864	1.1
83.04994	6.3
83.08621	8.6
85.02905	2.0
89.06029	1.1
91.05473	11.3
92.61745	0.8
93.07047	41.1
95.04975	10.5
95.08611	42.5
97.02888	5.5
97.06525	5.4
99.04460	5.3
99.25372	0.9
100.21391	1.0
103.05456	1.4
105.07027	10.1
107.04955	11.7
107.08592	29.2
109.02837	1.1
109.06511	2.6
109.10155	3.9
110.24765	0.9
111.04455	4.9
111.08090	1.8
117.07016	9.5
119.08581	11.1
121.02866	33.2
121.06506	7.6
121.10146	16.7
123.08075	1.3
125.05988	3.6
127.03930	0.9
129.06984	1.7
130.07799	3.5
131.04922	2.6
131.08580	3.1
133.10136	3.4
135.08047	3.2
135.11697	50.0
139.03889	3.4
145.06477	1.2
145.10124	32.5
151.07428	1.0
153.12732	3.2
155.08563	1.2
163.11185	69.8
167.08531	1.3
171.11696	0.9
173.09637	2.2
174.65884	1.0
181.12233	14.4
191.10754	1.3
191.20451	0.9
194.07278	1.0
199.14822	1.0
209.11742	3.5
213.16624	0.9
223.07550	1.5
225.05516	1.3
227.12784	100.0
228.13246	1.3
235.30441	0.9
247.09512	1.1
255.10123	1.4
269.12479	1.9
283.06433	6.7
283.09711	5.6
283.15323	42.8
283.20609	2.8
284.15482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82580	1.2
53.03933	4.2
55.01876	6.5
55.05514	13.6
57.03432	14.0
65.03941	1.7
66.41124	1.1
67.05188	1.8
67.05513	23.9
69.03422	2.7
69.07071	6.6
69.15898	1.5
69.16234	13.1
71.04987	3.4
73.02898	2.0
79.05069	1.9
79.05498	28.1
81.03427	3.3
81.07059	23.8
83.04990	7.8
83.08620	10.7
85.02871	1.1
85.06503	1.7
89.06042	1.2
91.05079	1.2
91.05495	11.9
93.07053	42.8
95.04984	9.2
95.08614	41.4
97.02925	6.0
97.06513	4.9
97.10176	1.3
99.04451	5.3
105.07040	9.5
107.04954	12.6
107.08603	31.4
108.16073	1.2
109.06523	2.4
109.10148	4.1
111.04435	3.7
111.08093	1.7
113.06067	1.6
117.07024	15.0
119.08604	11.8
121.06508	6.4
121.10155	13.3
125.05976	2.9
130.07787	2.5
131.08530	1.6
133.10104	2.2
135.08051	3.3
135.11705	52.0
139.07529	2.5
139.11195	1.5
143.08545	1.6
145.06502	1.5
145.10135	34.1
149.09546	2.3
153.12724	1.8
163.11198	72.7
173.09616	2.0
178.35843	1.3
181.12253	17.2
191.10623	1.9
209.11760	3.7
219.83253	1.2
227.12799	100.0
228.13072	1.3
283.15396	30.2
283.20142	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90099	0.8
53.03942	3.2
53.68684	0.9
55.01871	6.0
55.05519	16.3
57.03443	11.8
57.07068	4.2
65.03931	1.3
65.41763	0.9
66.67106	0.9
67.05508	24.7
69.03439	1.4
69.07071	13.0
69.26679	8.5
70.07397	1.3
71.04999	4.1
71.08630	1.0
72.08156	2.2
73.02922	1.9
79.05499	32.3
81.03429	3.6
81.07066	26.7
83.04970	6.8
83.08625	11.5
85.06520	1.1
89.06031	3.1
91.05489	12.6
93.07050	53.5
95.04981	8.5
95.08616	50.7
95.09066	0.8
95.09248	1.1
97.02901	5.9
97.06544	5.4
97.10180	1.6
98.20671	1.8
99.04466	5.6
103.05463	1.5
105.07037	9.5
107.04966	12.9
107.08600	38.8
109.06550	1.9
109.10162	4.0
111.04446	2.1
111.08000	1.2
117.07022	14.4
119.08592	12.6
121.06523	7.4
121.10150	16.2
125.05994	2.9
130.07793	3.0
131.08601	1.2
131.88907	0.9
133.08641	1.3
133.10141	2.8
134.09650	3.3
135.08081	3.1
135.10045	1.9
135.11697	60.4
136.12013	1.2
139.07513	1.8
143.08632	1.1
145.10136	36.8
145.11293	1.8
146.10503	0.9
148.81131	0.9
155.08580	1.6
163.11189	83.3
164.11600	2.1
181.12245	17.8
209.11786	3.5
227.12793	100.0
228.13068	1.1
283.15457	21.3
283.22546	18.8
283.25586	1.4
283.28360	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01876	8.1
55.05514	15.9
57.03442	14.8
57.07064	2.9
59.05001	1.3
65.03951	1.7
67.05179	1.6
67.05509	22.3
69.03429	2.7
69.07069	7.7
71.04984	3.8
73.02911	1.2
79.05495	36.3
81.03416	5.0
81.07056	26.4
83.04987	7.5
83.08620	10.0
85.02898	1.6
85.06516	1.0
89.06039	7.2
91.05483	16.0
93.07044	45.7
93.21223	1.0
95.04967	11.1
95.08610	39.8
97.02889	4.8
97.06515	6.2
97.10160	2.2
99.04475	6.3
103.05450	1.7
105.04485	1.2
105.07040	10.8
107.04964	14.9
107.08600	29.6
109.06541	3.3
109.10149	3.6
111.04445	4.1
111.08076	1.4
117.07024	12.6
119.08577	12.6
121.06525	8.0
121.10143	15.3
122.38816	1.2
123.08033	2.9
125.06005	3.2
128.63390	1.3
129.07013	2.1
129.60384	1.0
130.07806	3.2
131.08545	2.9
133.08609	1.4
133.10107	3.5
134.50664	1.2
135.08038	3.8
135.11691	53.3
139.07552	2.1
143.08521	2.1
145.10123	33.7
153.12769	2.8
155.08594	1.2
163.11186	74.2
164.11510	1.9
170.83354	1.1
173.09671	3.0
181.12221	17.3
191.10645	1.5
209.11609	5.5
227.12781	100.0
228.13042	1.4
229.07170	1.3
269.59204	1.2
283.15393	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01879	7.5
55.05275	0.9
55.05518	14.8
57.03440	13.4
57.07065	1.0
65.03947	1.4
67.05511	25.7
69.03436	2.4
69.07078	9.1
70.07139	0.7
70.17849	3.2
71.04988	3.4
73.02924	1.4
76.39538	0.7
78.04783	0.8
79.05502	37.9
81.03421	4.8
81.07064	23.5
83.04990	10.3
83.08620	9.3
85.06508	1.3
89.06024	1.0
91.05495	12.4
93.07051	49.0
95.04984	9.1
95.08613	41.6
97.02901	6.2
97.06536	4.4
97.10165	2.1
99.04468	5.1
103.05448	2.1
105.07047	10.5
107.04981	11.7
107.08606	32.3
109.06499	3.3
109.10167	3.9
111.04478	6.4
111.08072	2.2
113.80006	0.8
117.07031	10.3
119.08593	11.2
121.06535	6.2
121.10143	17.0
125.06004	3.6
129.07024	1.7
130.07797	2.4
131.08574	1.7
133.10144	2.8
135.08076	2.6
135.11703	53.3
139.07520	1.3
143.08591	1.3
145.10133	31.9
149.09686	1.3
153.12758	6.1
155.08632	1.3
155.19574	0.8
163.11195	75.0
164.11536	1.8
173.09656	3.2
181.12250	18.1
191.10716	2.9
197.74370	0.8
209.11716	3.4
209.13463	1.0
227.12799	100.0
228.13158	1.3
283.15436	27.9
283.20316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01867	7.7
55.05509	20.2
57.03434	15.2
57.07071	2.2
58.33119	1.1
65.03936	1.5
66.93524	1.1
67.05509	26.4
69.03425	1.8
69.07071	9.7
71.04980	3.4
72.87450	1.2
73.02922	1.7
79.05495	38.9
79.05966	1.8
81.03416	4.8
81.07059	28.1
83.04996	7.3
83.08619	9.0
85.06563	2.0
89.06042	2.6
91.05488	16.1
93.07046	46.5
95.04996	10.6
95.08610	47.3
97.02888	7.3
97.06525	5.2
97.10182	2.0
99.04451	5.4
105.07019	11.0
107.04955	13.2
107.08596	34.2
109.06544	3.2
109.10169	5.1
111.04433	6.1
111.08123	1.9
113.06025	2.5
117.07022	15.1
119.08571	16.2
121.06530	6.6
121.10143	14.4
125.05978	3.3
128.06190	1.8
129.07028	1.3
130.07811	4.0
131.08557	1.8
133.08586	2.7
133.10129	4.1
135.08083	3.5
135.11697	61.5
139.07547	2.1
143.08586	1.8
145.10127	37.7
149.09717	1.8
153.12793	2.3
163.11185	76.7
173.09581	2.9
181.12242	19.8
181.47787	1.2
191.10693	2.5
209.11734	4.6
227.12779	100.0
228.13132	1.5
283.15430	28.5
283.20236	6.1
300.53445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01879	6.1
55.05516	15.5
57.03439	14.2
57.07084	1.4
62.01559	1.1
65.03952	1.4
67.05515	22.1
69.07072	9.1
69.74292	1.4
70.95485	2.3
71.04996	3.6
73.02935	1.5
73.17509	1.3
79.05502	35.2
81.03004	1.3
81.03414	6.2
81.07063	25.3
83.04984	11.2
83.08618	10.0
89.06020	1.4
91.05481	11.7
93.03394	1.1
93.07052	49.3
94.07369	1.6
95.04993	9.7
95.08617	45.6
97.02905	5.0
97.06546	6.6
97.10159	1.4
97.69543	1.3
99.04457	4.8
103.05467	1.0
105.07021	9.1
107.04976	12.8
107.08605	28.2
109.06529	4.0
109.10175	4.5
111.04458	8.6
111.08085	2.2
117.07030	10.9
119.08577	11.6
121.02892	2.6
121.06522	6.3
121.10146	18.5
121.37901	1.0
123.08046	2.3
125.05992	3.0
129.06941	1.8
130.07774	2.6
131.08559	2.1
132.45662	1.2
133.10129	3.8
135.08064	3.5
135.11699	56.9
137.30287	1.3
139.07576	2.1
143.08647	1.4
145.09056	2.3
145.10136	33.6
147.46404	1.0
149.06119	1.0
149.09546	1.2
153.12700	5.8
163.11194	76.0
173.09630	5.3
181.12256	17.9
183.54004	1.1
191.10727	4.5
205.05063	1.5
209.11751	4.6
227.12796	100.0
283.06293	2.0
283.09857	2.6
283.15402	29.5
283.20227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39646	1.0
53.03936	3.5
55.01886	5.8
55.05514	13.1
55.35749	1.0
57.03442	12.6
67.05509	22.5
69.03419	3.0
69.07065	8.9
69.68242	1.1
70.06618	1.4
71.04985	4.4
71.05344	1.8
73.02917	1.4
77.29710	1.2
79.05499	30.9
81.03399	6.1
81.07064	26.1
83.04990	5.4
83.08619	10.3
85.02898	3.4
85.06516	2.3
89.06020	1.6
89.98971	1.1
91.05480	13.5
93.07048	44.1
94.40247	1.2
95.04977	12.3
95.08614	37.2
97.02879	5.9
97.06526	4.9
97.10162	1.5
99.04453	5.2
103.05426	1.7
105.07024	11.4
107.04958	10.9
107.08598	30.6
109.02889	2.8
109.06518	2.2
109.10145	5.0
111.04462	3.4
111.08090	1.9
113.06027	1.7
115.05492	1.9
117.07012	12.2
119.08579	11.9
121.02876	33.1
121.06506	8.8
121.10145	15.3
123.04466	1.0
125.05989	2.1
128.13344	1.0
129.06999	1.6
131.04895	1.4
131.08575	2.2
133.06430	1.5
133.10124	2.5
135.08058	3.1
135.11700	47.4
139.03914	1.8
139.07494	2.2
143.08569	2.1
145.09068	1.8
145.10141	31.7
147.08141	1.2
152.06227	1.2
153.07060	2.2
153.12724	2.1
155.08606	1.3
163.04024	1.5
163.11188	68.3
165.07045	2.5
173.09619	1.7
181.12238	19.1
183.11647	1.3
209.06032	1.9
209.11748	3.1
223.07571	2.3
224.08453	1.2
227.12791	100.0
233.11496	3.0
237.05371	2.2
251.11295	1.7
255.06535	2.2
265.14252	2.2
269.12369	1.7
283.06308	8.5
283.09784	6.9
283.15280	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05497	1.5
56.05048	0.6
56.96564	1.5
57.03427	1.1
57.07057	0.6
57.39161	0.5
61.02930	0.6
67.05500	1.6
68.05024	1.8
69.03425	2.4
69.07061	2.1
69.54521	0.5
70.06602	1.2
70.85401	1.1
72.08157	0.7
73.02897	0.7
74.02405	0.5
79.05506	3.9
80.05012	2.9
81.03420	2.0
81.07047	3.4
82.06580	1.0
83.05020	0.9
83.08604	1.0
84.04512	3.5
84.08115	0.8
85.02901	9.9
86.06067	1.4
87.04472	17.0
91.05472	2.0
93.07047	9.6
94.06565	1.8
95.08620	2.3
96.08147	1.2
97.02906	3.6
97.06522	1.0
98.06052	1.6
98.97579	1.6
99.04447	0.7
102.05540	1.2
105.07023	1.3
107.04968	1.2
107.08586	4.8
108.08116	16.3
109.02873	0.8
109.08910	1.1
110.09696	2.5
110.97555	1.1
114.05550	0.7
115.02317	0.5
115.52084	0.5
120.04458	1.5
120.08115	1.5
121.02866	1.8
121.06488	0.6
121.10175	2.0
122.03663	0.9
122.09676	11.5
122.10476	0.4
123.10435	2.4
124.11213	0.6
125.09667	0.4
127.03945	0.5
129.77347	0.5
131.03418	0.6
131.08540	0.6
133.10210	0.4
134.09613	0.8
135.04434	1.8
135.11696	4.8
136.11230	4.1
137.05969	6.2
137.12054	0.5
137.13197	0.7
148.07591	0.5
148.11206	0.7
150.12784	21.9
151.13596	5.5
152.14359	19.6
152.15599	0.9
155.00778	0.5
160.99144	1.0
164.10669	0.5
166.08664	4.2
176.14386	0.6
178.03882	0.9
179.00133	2.5
180.10164	1.4
181.10892	0.7
184.09700	1.5
184.13292	1.0
194.11807	2.3
196.13423	1.0
196.17090	0.6
197.01242	2.1
208.13358	6.0
209.14070	1.1
210.07350	0.9
210.14954	0.6
219.01718	0.6
236.13043	0.6
236.16466	1.6
237.02658	0.9
238.18022	100.0
239.18315	1.0
240.19534	0.7
249.04469	0.6
250.04907	0.6
252.12337	1.1
264.15933	1.1
282.09369	1.7
282.17017	45.1
282.20633	69.1
283.20828	0.6
292.68506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07303	0.2
56.96566	0.2
58.06595	0.2
60.04520	0.2
62.75632	0.2
67.07377	0.3
69.07050	0.3
69.77273	0.6
69.77683	0.6
70.06582	0.6
73.89317	0.2
84.04483	0.9
84.08146	1.3
85.02902	0.3
88.03989	1.2
91.05472	0.5
97.96311	0.2
99.80046	0.2
102.05548	2.1
103.05457	0.2
105.06999	0.2
107.04975	3.0
121.02896	0.4
121.06498	0.7
121.08459	0.4
128.06252	0.6
130.05005	0.9
131.04932	0.3
131.08527	0.6
133.06480	0.3
134.09665	0.4
136.06194	3.8
137.06642	0.3
143.08539	1.7
145.02887	0.5
148.05066	0.2
148.06107	1.7
149.05989	0.4
150.07765	4.7
155.48102	0.2
159.08014	0.6
160.05229	0.9
160.07576	0.5
160.11221	0.8
161.06027	1.7
162.05518	0.9
163.00407	0.3
163.06328	0.3
164.07103	3.0
169.03429	0.4
171.08041	1.5
174.06841	0.2
176.07047	0.6
176.10791	0.3
177.05396	0.6
177.07863	20.9
178.08536	0.4
188.10686	1.6
189.09142	1.3
190.08607	0.2
195.62173	0.2
198.99023	0.3
204.10242	0.4
206.11784	100.0
207.12166	0.9
250.13005	0.9
264.16022	1.4
275.67578	0.2
282.12619	0.3
282.16852	1.9
282.22089	0.9
300.06143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82987	0.2
55.05534	0.6
55.54391	0.2
57.03465	0.4
59.05026	0.6
61.02949	0.5
67.05518	0.3
68.42227	0.2
70.02969	0.3
70.06644	0.2
71.04997	8.8
71.51051	0.4
79.05514	0.8
81.07053	2.7
81.07441	0.3
85.02929	0.5
87.08145	0.2
88.04002	1.8
91.05501	0.7
92.28133	0.2
93.07070	0.3
97.89674	0.2
102.05541	0.3
105.07058	0.3
107.04991	0.4
108.08140	1.2
109.05161	0.7
109.08437	0.2
109.37585	0.2
110.03532	3.9
113.09653	3.4
114.05528	0.2
120.04511	0.4
120.08112	0.4
121.06541	0.5
122.09692	0.3
128.04568	1.4
130.05014	0.3
131.05362	0.4
134.04669	0.4
135.03035	4.4
147.09233	0.2
149.05997	0.3
150.12746	0.4
150.61931	0.2
152.05685	100.0
152.14334	0.5
153.04092	7.8
153.05980	0.3
153.14717	0.8
164.11792	0.3
166.07225	0.6
177.05505	0.3
189.09137	1.5
206.11789	0.3
232.11839	0.6
233.11780	0.2
250.12883	0.4
282.15524	8.2
282.21939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05524	1.3
56.05028	0.4
57.03438	0.5
59.05007	1.2
61.02927	1.8
68.05015	0.5
69.92455	1.0
71.04996	3.7
79.05502	2.1
81.06599	0.3
81.07063	6.2
82.09698	0.2
84.04517	1.7
85.02911	3.1
87.08096	0.5
88.35363	0.3
91.05476	0.9
93.07029	1.7
94.06578	0.5
95.08598	0.4
99.08092	0.3
102.05527	0.3
103.30145	0.3
105.07036	0.3
107.08602	0.9
108.08126	5.4
109.05147	1.1
110.03545	3.6
110.87172	0.2
113.09648	0.5
119.04934	0.5
120.08123	0.6
121.02895	0.3
121.06512	0.5
122.09677	3.8
123.10463	0.7
128.04559	1.2
134.04613	0.7
134.09729	0.3
135.03024	10.1
135.11700	1.2
136.01451	0.3
136.11209	0.8
145.45868	0.2
147.04430	0.4
150.07764	0.3
150.12787	7.1
151.13614	1.5
152.05682	100.0
152.14314	1.4
153.04085	8.9
153.06007	0.4
166.07243	1.1
174.12766	0.3
175.03943	0.5
179.00444	0.2
180.10326	0.3
194.11835	0.3
204.52057	0.3
207.06487	0.5
208.13350	0.5
220.13402	0.7
232.11945	0.5
238.17938	0.6
250.12926	2.2
252.12369	0.4
264.14456	0.3
282.15927	16.8
283.05844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05495	1.1
56.96569	1.0
60.04531	10.7
61.02936	1.4
69.95286	5.2
70.02959	5.3
70.06583	1.5
79.05484	1.5
81.03409	1.0
81.07051	1.9
83.05000	1.3
84.04492	2.6
85.02906	1.7
88.03998	50.1
88.65034	1.0
89.03930	9.6
89.06013	2.9
91.05465	3.8
93.07049	2.2
95.04958	2.1
98.97610	1.4
102.05549	83.8
105.07035	1.4
107.04963	84.4
107.08595	2.1
108.08114	3.6
113.02351	1.5
117.03389	28.8
120.04426	1.5
121.06476	3.6
122.09669	2.5
126.11506	0.9
130.04973	1.7
134.03682	1.7
134.09645	2.4
135.04448	2.1
136.06187	6.8
136.11197	1.3
145.02855	67.3
147.04428	1.8
147.09151	2.8
148.06058	54.3
148.09450	4.6
149.05969	11.8
150.12781	3.3
152.05698	5.8
152.06784	1.0
153.01822	3.1
153.04106	1.2
157.96465	1.1
163.03873	2.0
169.03430	2.4
177.05478	100.0
178.05823	1.8
178.07231	6.5
187.04636	1.8
204.10013	1.2
215.45210	1.0
222.07658	2.0
236.09154	5.3
238.14485	1.3
255.06459	1.5
264.08582	2.1
282.14883	3.2
282.17020	9.2
282.22147	3.9
288.44601	1.1
300.05981	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0974
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
53.03954	0.7
60.04529	11.3
60.33971	0.6
61.78181	0.7
65.06492	0.6
70.02952	6.1
70.06582	1.1
70.79340	1.8
79.05493	2.1
83.08635	0.7
85.02914	1.4
88.03994	58.2
89.06034	2.1
91.05472	0.8
93.07053	0.9
102.05544	100.0
107.04958	95.7
107.05704	1.5
108.05257	0.8
108.08131	2.3
113.02376	0.9
117.03419	1.9
119.04947	0.6
120.04469	0.9
120.08167	0.7
121.06538	1.0
122.09699	1.0
130.05000	2.3
133.08606	0.8
134.09648	0.9
145.02855	1.8
148.06050	60.0
150.12811	2.1
151.13515	0.8
152.05736	1.4
162.05515	1.0
177.05461	5.0
178.07266	1.1
222.07643	1.6
236.09181	4.3
238.14505	0.9
264.08652	1.7
264.15958	1.9
270.32501	0.7
280.48593	0.6
282.09772	1.8
282.14017	1.1
282.16983	8.1
282.22037	1.1
300.06274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.8
55.01862	4.6
55.05517	33.3
57.03442	29.8
65.03936	4.9
67.05509	85.5
68.97157	1.8
69.07080	14.0
71.04993	2.9
71.51708	3.1
77.03903	2.2
79.05499	100.0
80.58601	1.7
81.03416	13.0
81.06590	3.6
81.07062	67.4
83.04986	30.0
83.08635	10.8
85.06538	2.7
86.96471	1.8
91.05486	65.8
93.07050	66.7
95.04977	28.2
95.08064	2.7
95.08613	35.6
97.02900	1.9
97.06523	9.2
97.10144	3.9
99.08099	2.5
105.04519	3.6
105.07037	52.2
107.04963	10.4
107.08605	23.7
109.06523	8.2
109.10148	7.8
109.36631	1.6
115.05415	2.2
117.07027	10.6
119.08590	29.2
121.05679	1.6
121.06520	5.1
121.10168	6.8
123.08060	6.4
123.11686	2.6
125.79668	1.9
127.55811	1.8
128.06236	3.7
129.07022	18.5
131.08539	4.1
133.06462	1.9
133.10143	15.3
135.11694	3.9
137.09660	2.1
143.08574	9.8
145.10088	9.1
147.08046	3.1
147.11687	36.2
155.68669	1.9
161.09669	4.9
161.13258	17.0
163.11223	3.1
166.68854	2.2
171.11687	26.8
179.14288	1.8
189.12842	8.3
207.13751	11.4
234.15169	1.8
281.14096	3.1
281.17429	32.5
299.06165	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03948	12.2
55.01870	5.0
55.05513	32.8
57.03202	2.3
57.03444	27.9
61.35188	1.6
65.03941	4.3
67.05509	84.7
69.03411	2.0
69.07061	14.7
70.45862	4.0
71.04972	1.9
73.06538	2.0
77.03919	2.2
79.05496	100.0
81.03419	12.4
81.06593	3.2
81.07063	62.5
83.04986	34.9
83.08617	9.3
85.06532	4.0
87.48192	1.6
91.05486	73.2
93.07048	72.1
95.04977	26.1
95.08612	38.8
97.06527	5.1
97.10173	4.8
105.04533	2.5
105.07037	50.3
105.58127	1.6
107.04975	8.5
107.08604	24.8
109.06503	7.5
109.10157	7.1
111.08072	2.3
115.05503	1.9
117.07009	10.8
119.08588	27.9
121.06501	4.1
121.10126	4.6
123.08064	9.7
127.07556	2.5
128.06256	2.4
129.07008	18.2
131.08586	4.4
133.10124	14.7
135.11731	3.2
143.08563	10.6
145.10115	10.4
147.08051	3.8
147.11703	36.3
159.11710	2.1
161.09604	4.5
161.13281	14.7
171.11699	31.1
189.12741	12.8
207.13817	10.3
281.17474	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	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22286	0.7
51.02362	1.0
53.03950	7.5
53.05666	0.7
53.37591	0.7
53.84647	0.6
55.01878	5.6
55.05516	32.1
55.49194	0.8
57.03441	31.8
57.07079	2.1
65.03950	5.9
67.05508	88.4
68.05820	0.9
69.03423	2.3
69.07076	15.9
69.42341	5.7
71.04993	2.0
71.08653	0.8
73.06565	3.2
77.03928	1.6
79.05498	100.0
81.03413	12.4
81.07060	60.8
83.04987	33.0
83.08629	9.7
84.04469	0.7
85.02916	0.9
85.04432	0.7
85.06555	3.0
88.35274	0.7
91.05486	67.5
93.07048	72.4
95.04974	27.9
95.05565	1.8
95.08613	38.1
97.02905	1.2
97.06532	6.6
97.10182	4.5
103.05493	2.1
105.04549	3.7
105.07037	50.4
107.04955	6.2
107.08598	18.2
109.06531	7.8
109.10176	8.6
111.08102	2.2
113.05958	0.7
115.05474	2.0
117.07021	11.3
117.07764	1.1
119.08589	30.3
121.06503	3.5
121.10125	5.2
123.08080	9.8
127.07593	1.6
128.06268	2.7
129.07005	20.9
129.07915	1.2
131.08588	3.8
133.06490	1.4
133.10141	12.5
135.08125	2.3
135.11707	2.6
137.09671	1.3
137.35428	0.7
139.07587	0.8
141.07040	1.2
141.09224	0.9
143.08559	9.7
143.09573	0.9
145.10159	9.9
147.08083	3.3
147.11694	38.2
148.12077	1.0
153.01833	1.6
156.09377	1.3
159.11719	1.2
161.09651	6.3
161.13268	14.7
163.11232	2.2
169.10170	0.8
171.11694	27.1
171.13158	1.4
189.12778	9.2
207.13800	11.2
225.14969	0.8
253.08434	1.0
281.08292	1.9
281.12643	1.6
281.17587	28.2
281.22382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.4
53.97364	1.8
55.01864	5.6
55.05514	36.8
56.96556	2.3
57.03442	28.0
57.07077	3.0
65.03916	5.6
67.05511	88.1
69.03435	6.8
69.07066	14.9
71.04981	5.5
71.51160	3.6
73.06555	3.1
79.05499	100.0
81.03426	17.2
81.07059	66.1
83.04991	33.6
83.08621	11.3
85.02919	2.0
85.06553	2.9
87.04449	2.2
91.05487	70.9
93.07048	78.3
95.04967	28.2
95.08610	46.1
97.02873	2.2
97.06515	7.4
97.10183	4.3
100.11272	2.5
105.04501	2.7
105.07037	56.9
107.04964	11.8
107.08586	25.7
109.02856	2.2
109.06512	7.5
109.10176	11.2
111.04439	4.1
117.07020	11.4
119.08587	34.8
121.06509	5.9
121.10139	9.5
123.08073	8.3
123.11681	2.6
127.07547	2.4
128.06235	3.9
129.07022	17.7
131.08582	5.0
133.06491	3.7
133.10138	16.9
135.08052	4.2
135.11678	4.1
143.08577	13.9
145.10159	10.9
147.08055	6.0
147.11700	36.3
150.02635	2.5
151.02850	2.3
153.01851	10.3
157.10049	2.2
159.11667	3.6
161.09648	7.6
161.13298	15.8
171.11674	34.9
179.14240	2.2
189.12743	11.3
199.18031	2.9
201.02946	1.8
207.13878	11.5
207.15466	2.1
219.02945	5.2
267.00095	2.8
281.07813	2.8
281.14752	3.4
281.17508	40.9
281.22250	3.0
283.03040	3.0
299.06262	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.43456	1.7
51.02376	1.9
53.03956	9.3
55.01866	6.2
55.05264	2.8
55.05515	32.3
57.03442	29.7
65.03933	3.9
67.05510	88.7
69.03418	2.4
69.07072	17.0
70.54354	4.0
70.54719	3.9
71.04988	4.2
71.81139	1.9
73.06560	3.2
79.05497	100.0
80.73300	1.7
81.03421	17.0
81.07060	67.6
83.04986	36.3
83.08615	13.6
85.06550	4.9
91.05486	83.3
92.57882	1.5
93.07049	74.0
93.07646	3.7
95.04977	27.2
95.08609	40.9
97.02872	3.3
97.06531	5.7
97.10155	7.1
105.04530	2.4
105.07037	53.9
106.07301	2.0
107.04955	7.8
107.08608	25.2
109.06525	8.5
109.10188	9.1
115.05430	2.3
117.07026	10.0
119.08590	30.9
121.06467	4.2
121.10146	5.8
123.08073	8.5
128.06252	4.1
129.07010	20.6
131.08586	3.8
133.10144	15.0
134.02499	2.3
135.11676	4.2
137.04059	1.6
139.07710	1.6
141.09119	1.6
143.08542	12.4
145.10150	14.3
147.08061	4.8
147.11696	40.8
153.01834	5.8
161.09624	6.7
161.13313	17.2
163.11221	1.8
171.11693	31.4
189.12755	9.7
207.13783	11.3
247.99054	1.9
272.69241	1.7
281.08197	3.0
281.11600	4.3
281.17578	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	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
53.03951	10.0
55.01869	4.0
55.05514	37.4
57.03440	31.9
57.07080	2.3
62.76003	0.9
65.03944	5.2
67.05510	87.2
69.03439	1.9
69.07067	14.0
69.86990	4.4
71.04993	3.9
73.06555	3.2
77.03923	2.0
79.05497	100.0
81.03425	13.8
81.07060	64.9
83.04987	29.4
83.08621	9.9
85.06540	4.3
91.04628	1.5
91.05486	62.8
93.07048	70.4
95.04975	26.6
95.08611	40.3
97.02898	2.0
97.06543	5.6
97.10180	5.2
99.08082	1.8
103.05480	1.4
105.04518	2.5
105.07039	50.4
107.04968	5.6
107.08604	17.6
109.06528	8.0
109.10174	10.3
111.08115	1.3
115.05477	2.6
117.07050	9.9
119.08591	31.0
121.06493	3.8
121.10106	5.4
123.08081	9.1
123.11712	1.1
125.09636	1.2
127.07594	2.5
128.06245	2.3
129.07005	18.0
130.07788	1.9
131.08597	2.7
133.10141	12.9
135.11694	4.0
143.08574	10.8
143.87489	1.1
145.10126	11.4
147.08037	3.3
147.11688	34.4
156.09351	2.6
158.77760	1.0
161.09630	3.9
161.13275	14.8
163.11133	1.8
171.11708	24.4
179.14337	1.1
189.12762	11.3
207.13840	11.0
281.17496	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03943	10.2
55.01874	5.1
55.05515	37.0
57.03441	29.2
57.07072	1.6
63.53695	1.7
65.03941	3.8
67.05511	87.9
69.03422	2.4
69.07072	17.2
71.04972	3.6
73.06538	3.4
77.03945	1.9
79.05498	100.0
81.03422	16.4
81.07061	68.2
81.07536	4.1
83.04981	33.2
83.08609	9.4
85.06529	2.3
91.05486	75.9
93.07050	74.2
93.07646	3.8
95.04974	30.8
95.08611	45.1
97.02891	2.0
97.06536	4.9
97.10168	4.6
103.05449	2.7
104.29377	1.6
105.04502	2.5
105.07035	52.3
107.04948	9.1
107.08611	25.4
109.06519	7.0
109.10142	8.8
116.24957	1.6
117.07029	10.5
119.08576	34.2
121.06519	3.6
121.10138	5.4
123.08069	8.5
128.06250	4.6
129.07022	15.7
131.08504	2.8
133.10135	14.2
134.09676	8.1
135.11687	3.9
143.08606	8.9
145.10104	11.5
147.08116	2.2
147.11694	41.0
156.09454	2.3
161.09622	7.2
161.13289	17.4
171.11688	32.4
171.20273	2.0
180.54173	1.9
189.12723	9.4
194.84372	2.1
207.13828	12.5
210.12785	3.8
229.26463	1.9
281.17468	38.7
282.22107	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	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76846	1.7
53.03957	8.3
55.01868	4.1
55.05513	36.0
57.03442	30.2
65.03933	3.1
67.05510	80.2
69.07063	16.0
70.63021	3.9
70.63390	3.4
71.04980	4.0
73.06556	2.4
77.03945	2.1
79.05498	100.0
81.03429	14.9
81.06597	3.0
81.07064	59.0
83.04501	1.8
83.04991	31.7
83.08618	9.6
85.06559	2.5
91.05488	66.4
93.07048	71.8
95.04978	25.3
95.08610	38.5
97.06525	6.6
97.10166	4.1
103.05496	2.9
105.04564	2.3
105.07038	52.9
107.04950	8.2
107.08606	23.2
109.06518	8.3
109.10168	7.5
111.08096	2.8
115.05607	1.7
117.07043	10.5
119.08594	30.4
121.06539	2.9
121.10156	5.5
123.08070	6.8
127.07571	1.8
128.06227	5.2
129.07024	15.1
131.08578	3.5
133.10132	14.9
135.11707	2.8
142.07860	2.0
143.07599	1.7
143.08562	8.8
145.10120	11.5
147.08040	3.7
147.11697	36.1
147.12811	2.8
150.01688	1.7
159.11656	2.9
161.09648	5.3
161.13246	17.1
169.74139	1.6
171.11690	28.1
189.12781	10.2
207.13844	14.4
223.81723	1.5
281.14728	2.8
281.17490	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03948	13.1
55.01873	3.6
55.05272	3.0
55.05518	39.2
57.03442	30.2
57.07066	1.8
65.03927	4.7
67.05511	82.8
69.03434	6.0
69.07074	14.8
71.04995	4.9
76.52048	1.8
77.03912	2.3
79.05499	100.0
81.03423	16.7
81.07061	67.5
83.04981	33.8
83.08612	8.2
85.02895	1.9
85.06531	4.6
91.04910	3.8
91.05486	70.1
93.07051	72.8
95.04977	25.9
95.08612	42.2
97.06519	6.2
97.10170	6.5
105.04546	2.3
105.07039	57.1
107.04935	9.5
107.08597	21.8
109.06538	8.2
109.10143	6.8
110.35020	1.7
111.08106	4.2
117.07045	12.1
119.08580	34.4
121.06539	3.4
121.10168	6.5
123.08067	6.6
129.07001	20.5
131.08569	5.0
133.06589	2.8
133.10121	15.8
135.11707	3.3
137.09633	3.3
141.06923	1.8
143.08560	10.4
145.10149	11.5
147.08023	3.8
147.11705	41.5
149.51128	1.9
153.26559	1.8
161.09636	5.4
161.13280	16.9
171.11700	34.7
189.12746	11.7
207.13806	11.7
281.17480	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03950	8.6
55.01860	5.5
55.05273	2.6
55.05515	34.6
57.03196	2.3
57.03442	27.3
65.03934	4.5
67.05508	74.5
68.41164	1.4
69.07075	12.2
69.15753	16.1
71.04985	2.9
73.06577	2.4
77.03905	1.8
79.05499	100.0
81.03431	12.5
81.06595	3.0
81.07061	54.1
83.04986	34.2
83.08616	9.6
91.05489	65.7
93.07052	63.1
95.04971	26.0
95.08610	35.9
97.02865	2.0
97.06517	5.6
97.10173	4.8
99.08140	2.0
104.00656	1.6
105.04532	2.4
105.07037	46.1
107.04965	7.7
107.08601	18.6
109.06562	7.2
109.10146	5.3
117.07018	8.7
119.08591	30.7
121.06538	3.6
121.10130	4.0
123.08089	7.4
127.07567	1.6
128.06241	2.2
129.07028	17.2
131.08586	2.0
133.10147	14.5
143.08575	10.9
145.10150	8.9
147.07976	4.8
147.11700	33.9
158.23210	1.5
161.09622	4.8
161.13278	16.4
171.11697	26.4
189.12724	11.4
207.13771	11.5
235.09857	1.5
235.23848	1.5
281.17471	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.3
53.03941	9.3
55.01862	3.7
55.05517	33.3
57.03440	32.4
65.03942	6.0
67.05508	93.1
69.03426	2.0
69.07071	14.8
70.95554	2.6
71.04992	3.5
73.06559	2.9
77.03922	1.9
79.05498	100.0
81.03419	11.6
81.07061	61.3
82.39395	1.3
83.04985	29.7
83.08630	8.6
85.06535	4.3
91.05488	67.0
92.30218	1.3
93.07051	66.8
95.04975	24.5
95.08611	38.2
97.06517	5.1
97.10169	5.5
99.08103	1.4
103.05426	1.9
105.04543	3.0
105.07037	50.9
107.04935	3.9
107.08595	18.9
109.06538	6.1
109.10168	6.7
115.05435	2.3
116.08214	1.2
116.39968	1.5
117.07031	10.2
119.07804	2.3
119.08589	27.8
121.06508	4.1
121.10133	3.8
123.08086	8.6
127.07558	2.4
128.06197	3.7
129.07010	19.0
131.08539	4.7
133.10146	15.4
135.08069	1.9
135.11703	2.4
137.09644	2.1
143.08565	7.9
145.10133	10.4
147.08017	3.2
147.11700	36.8
149.02374	1.4
150.30437	1.4
161.09616	5.5
161.13283	15.5
161.84503	1.3
163.11128	1.7
171.11694	25.0
189.12755	10.5
207.13841	9.2
281.14380	1.9
281.17465	30.0
286.40375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03952	14.6
55.01864	4.6
55.05277	2.3
55.05516	36.2
57.03194	2.6
57.03442	31.5
57.07081	2.4
63.51358	1.5
65.03937	4.8
67.05509	97.4
69.03439	1.9
69.07072	17.0
71.04978	3.4
73.06524	2.7
79.05500	100.0
81.03423	15.8
81.07063	76.1
83.04991	36.5
83.08636	10.4
85.06560	4.9
91.05488	75.1
91.40412	1.7
93.07051	77.7
95.04969	30.7
95.08617	45.8
97.06525	7.3
97.10154	7.2
98.21580	2.8
99.08089	2.3
105.04552	3.1
105.07042	54.8
107.04992	8.5
107.08609	21.1
109.06551	10.0
109.10175	9.6
111.08121	2.1
115.05445	1.9
117.07034	10.7
119.07796	3.1
119.08589	35.4
121.06468	4.7
121.10149	7.1
123.08069	10.3
123.11720	2.4
128.06270	3.5
129.07008	24.2
131.08583	5.4
133.10152	15.1
134.97691	1.6
135.11647	2.7
136.77838	1.6
137.09642	2.4
143.08546	11.8
145.10112	13.6
147.08067	4.0
147.11700	45.3
153.41895	1.6
159.11626	1.7
161.09633	4.6
161.13278	14.6
163.11168	2.6
171.11707	32.0
179.14279	2.0
189.12724	13.1
207.13782	16.7
218.89571	1.6
229.32559	2.2
272.55612	1.8
281.17477	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03954	8.3
55.01868	4.0
55.05516	29.8
57.03444	31.0
57.84092	1.0
58.30413	1.0
65.03938	5.0
67.05509	81.6
69.03410	1.5
69.07073	16.6
69.17941	12.2
71.04995	3.9
77.03928	1.6
79.05500	100.0
81.03429	12.6
81.07066	64.8
83.04993	27.1
83.08636	9.0
85.02927	1.4
85.06541	3.4
86.01653	1.3
91.05488	69.3
93.07050	65.2
95.04976	26.0
95.08613	39.3
97.02924	2.2
97.06544	6.0
97.10168	3.9
98.20720	2.4
103.05465	2.7
105.04529	2.0
105.07043	46.2
107.04962	4.5
107.08598	17.4
109.06523	7.8
109.10164	8.5
111.08108	2.5
115.05486	2.2
117.07015	9.8
119.08596	26.3
121.06519	3.3
121.10175	5.8
123.08075	7.9
127.07504	2.1
127.30305	1.2
128.06239	4.5
129.07019	14.6
130.72495	1.3
131.08568	3.6
133.06509	1.3
133.10155	11.9
135.11746	3.3
142.07822	1.8
143.08583	10.0
145.10127	13.0
145.21609	1.3
147.08043	2.7
147.11711	36.8
161.09645	4.7
161.13268	12.0
163.11166	2.2
171.11688	27.7
189.12735	11.8
203.38025	1.2
207.13820	12.4
210.35019	1.2
262.34106	1.3
281.17621	30.9
299.06348	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	11.6
55.01871	5.9
55.05516	30.5
57.03441	25.7
65.03943	5.6
67.05510	89.5
69.07069	16.1
71.02052	1.8
71.04994	3.1
73.06561	3.6
77.03918	2.6
79.05499	100.0
79.81700	1.8
81.03430	15.1
81.07062	70.8
83.04985	36.6
83.08633	11.2
84.73215	1.5
85.06558	3.9
91.05486	78.6
92.85067	1.7
93.07051	77.7
95.04977	27.7
95.08614	39.3
97.02869	2.7
97.06526	5.9
97.10165	5.8
97.18076	1.8
98.21517	5.4
103.05502	1.8
105.04501	1.9
105.07038	51.5
107.04978	9.4
107.08598	21.6
109.06525	10.1
109.10152	8.2
111.08067	2.5
117.07036	11.4
119.08592	32.4
119.09380	3.3
121.06526	3.7
121.10162	6.5
122.48478	1.4
123.08098	7.9
125.90318	1.6
128.06165	2.7
129.07013	22.0
131.08592	4.5
133.10143	15.7
133.25819	1.9
135.11716	1.5
135.19121	1.8
137.09662	1.8
143.08569	11.2
145.10149	9.5
147.08029	4.0
147.11700	43.6
159.11763	1.9
161.09686	4.3
161.13283	17.1
163.11320	2.1
171.11707	34.0
189.12811	11.3
207.13844	13.9
249.31400	1.5
281.17429	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.5
53.03955	9.3
55.01866	6.0
55.05267	2.8
55.05514	31.2
57.03197	2.5
57.03444	31.7
57.07055	2.4
65.03934	5.4
67.05509	97.2
69.07081	15.6
70.89964	4.5
71.04991	4.2
75.25420	1.8
79.05499	100.0
81.03429	13.1
81.06593	3.4
81.07062	57.8
83.04986	30.2
83.08599	8.9
85.06547	4.0
88.59122	2.0
91.05489	68.9
93.07053	80.1
95.04977	29.1
95.08061	2.9
95.08615	37.7
97.06528	5.4
97.10159	6.7
103.89724	1.8
105.04562	1.7
105.07037	48.9
107.04941	3.9
107.08605	18.0
109.06536	9.6
109.10155	6.9
117.07038	9.0
119.07818	2.5
119.08590	32.4
121.06489	2.6
121.10132	4.6
123.08072	8.2
128.06242	2.1
129.07008	17.5
131.08511	2.6
133.10139	12.9
135.11678	4.2
143.08566	11.8
145.10120	13.2
147.08026	3.2
147.11696	44.1
161.09608	4.6
161.13278	14.7
163.11156	2.8
171.11702	30.9
189.12758	9.6
189.52811	2.1
207.13866	13.7
264.80557	2.1
269.91034	2.0
281.17468	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03943	12.8
55.01866	4.6
55.05272	2.3
55.05515	37.2
57.03442	32.1
60.25541	1.5
65.03930	5.0
67.05511	92.1
69.07077	18.4
70.39116	1.4
71.04965	2.2
72.55573	1.5
79.05500	100.0
81.03429	14.0
81.07063	62.8
83.04988	34.1
83.08631	9.6
85.06547	2.7
91.05487	74.7
93.07053	72.9
95.04982	25.2
95.08610	35.2
97.06521	5.3
97.10154	4.8
98.20718	3.2
105.04503	3.7
105.07041	55.2
107.04983	7.9
107.08605	19.7
109.06528	9.4
109.10159	7.2
111.08109	1.5
115.05441	2.5
117.07015	10.4
119.08600	28.1
121.06526	4.2
121.10150	5.9
123.08061	8.7
127.07618	1.9
128.06241	2.8
129.07022	18.7
131.08545	3.2
133.10146	14.1
135.11681	3.2
141.07027	1.8
142.21910	1.6
143.08578	9.7
145.10120	12.4
147.07974	2.2
147.10529	2.0
147.11697	38.3
161.09613	4.7
161.13254	17.3
171.11697	32.3
178.87308	1.6
182.83501	1.5
189.12732	10.6
207.13838	11.9
217.55144	1.6
238.57481	1.7
281.17477	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	10.1
55.01873	5.2
55.05509	40.0
57.03187	3.1
57.03442	26.1
57.07083	4.3
58.73508	2.1
60.49680	2.4
65.03931	5.6
67.05507	86.2
69.03430	3.2
69.07076	17.0
71.04968	3.4
73.06557	3.0
78.78327	2.3
79.05497	100.0
81.03417	15.2
81.07058	71.6
83.04986	34.6
83.08620	10.4
83.16110	2.3
91.04919	4.2
91.05476	71.2
93.07049	64.4
94.86465	2.4
95.00024	2.4
95.04975	24.8
95.08611	41.5
97.06538	6.4
97.10173	5.1
103.05465	3.1
105.07034	53.8
105.07698	4.7
107.04951	12.0
107.08604	22.6
109.06532	7.3
109.10179	8.3
111.08084	3.5
117.07014	12.5
119.08573	30.9
121.06514	3.2
121.10135	4.4
123.08080	8.3
127.07456	2.5
129.07007	22.0
131.08556	2.3
133.10161	12.3
135.11736	3.6
143.08565	11.2
145.10127	11.0
147.08057	3.5
147.11687	37.5
161.09610	6.0
161.13219	13.6
163.11172	2.6
171.11687	29.5
187.44908	2.5
189.12752	11.1
191.97684	2.3
207.13869	10.1
278.73737	2.5
281.17529	35.0
281.29486	9.8
299.06259	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	278.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01879	0.6
65.03938	1.9
67.05508	0.6
68.05028	9.2
69.03403	0.5
70.06593	0.5
71.05000	0.8
81.07067	0.9
83.04974	1.6
83.43920	0.5
85.02905	1.6
91.05485	70.3
93.07053	1.0
95.08631	0.9
96.04495	100.0
97.02886	3.3
98.97607	0.8
105.07080	0.9
111.04453	0.7
114.05537	46.0
121.06501	2.5
129.05489	0.6
132.02550	0.4
136.07526	0.5
142.05002	75.6
143.03403	1.1
149.02367	3.4
160.06067	41.3
170.52245	0.4
183.02821	0.6
184.65311	0.5
186.09158	0.7
200.04309	0.5
206.07962	0.6
218.15456	0.6
232.09720	5.2
260.09122	1.8
260.74097	0.5
278.10223	2.8
278.13605	0.7
278.17520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.59956	1.9
53.03941	5.6
55.05515	28.6
55.47536	1.9
57.07062	9.5
59.04984	6.2
65.03946	4.1
67.05516	30.1
69.03156	2.5
69.03441	24.2
69.07073	22.1
69.85565	12.1
71.05000	17.2
71.24384	2.0
75.38243	1.9
79.05500	34.0
81.03410	8.8
81.07068	64.0
83.04993	22.2
83.08608	14.7
85.06554	19.2
91.05486	20.4
93.06488	3.5
93.07053	68.4
95.04962	7.5
95.08617	43.7
95.44264	2.1
97.06523	8.8
97.10159	3.5
98.20889	3.4
99.08077	3.1
105.07037	38.1
107.04942	5.8
107.07877	3.4
107.08604	54.0
109.06537	24.8
109.10165	60.1
111.08099	12.9
113.09663	17.2
114.40593	1.8
117.07029	4.3
119.07801	3.6
119.08588	40.7
121.06508	9.1
121.10155	70.5
122.07257	3.5
123.08069	7.9
123.11716	28.6
125.09624	12.8
131.08575	8.2
133.06516	2.8
133.09135	3.2
133.10135	40.6
135.08038	8.0
135.11694	37.1
137.09625	30.0
139.11176	15.6
142.07896	3.3
143.08540	3.7
145.10162	14.1
147.08058	4.9
147.11703	17.6
149.02361	47.5
149.09612	14.2
149.13268	14.5
151.03905	3.5
151.11195	59.4
157.10124	5.0
159.11739	10.8
161.09589	4.7
161.13274	19.6
163.11150	4.1
165.12776	8.1
171.11714	5.3
171.26111	2.1
173.13258	4.4
175.11214	6.6
175.14847	34.9
177.12805	2.2
179.14331	3.8
181.12569	1.9
185.13295	10.4
189.12784	7.0
189.16393	3.0
193.15887	8.0
199.14839	4.6
201.16417	21.6
203.07164	2.8
203.14340	12.5
215.17894	2.6
217.15871	2.1
217.19484	4.7
219.17418	4.5
241.19563	12.7
259.20627	21.4
273.45761	2.1
277.14316	2.6
277.21655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
55.41674	0.5
64.66798	0.5
65.03939	0.6
68.05033	4.9
69.03438	2.9
69.91997	1.0
69.92403	1.4
79.05479	0.6
91.05487	41.0
95.06107	7.7
96.04499	93.6
97.02879	2.5
97.06522	0.5
99.04465	0.8
101.97520	0.5
102.23443	0.5
107.04964	0.6
113.07125	8.8
114.05536	3.3
118.06536	0.6
129.37187	0.5
134.09653	1.0
135.09991	0.6
136.06522	0.7
136.07593	23.8
141.06586	10.2
142.05006	100.0
143.05389	0.6
146.06030	4.0
158.60121	0.5
159.07669	19.9
172.87651	0.7
174.05496	2.3
214.08647	1.3
231.11320	1.4
232.09695	1.0
259.10849	2.4
260.09280	0.7
277.09302	0.8
277.11911	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	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02380	1.2
53.03953	5.2
55.01867	1.5
55.05264	1.5
55.05512	18.1
57.07072	1.6
67.05512	32.2
69.07076	15.1
69.25272	5.0
69.25695	4.1
71.04989	2.4
77.03915	2.5
79.05502	77.7
81.07068	37.5
83.05004	1.7
83.08627	7.4
85.06525	1.8
91.05492	29.3
93.07053	100.0
95.04964	4.5
95.08624	25.6
97.10164	3.7
105.04502	2.7
105.07050	13.6
107.08606	50.2
109.06535	2.3
109.10164	12.6
117.07018	3.6
119.08582	9.7
121.10159	46.9
121.11053	2.2
123.08054	1.2
123.11707	3.3
129.07018	2.1
131.08571	3.2
133.10152	12.6
135.11707	50.0
136.66118	0.9
143.08508	1.5
145.10126	3.7
147.11668	9.0
149.09613	1.9
149.13277	25.9
151.11186	1.0
157.10109	1.7
159.11714	3.7
161.13286	4.9
163.11234	1.1
163.14859	5.2
167.31088	1.2
171.11774	3.1
173.13292	3.0
174.89552	0.9
175.14841	3.1
177.12711	1.5
185.13293	3.0
195.13840	2.1
199.14778	1.6
203.14352	1.1
207.13766	2.3
213.16548	1.8
221.15398	3.8
235.16975	4.8
235.43097	1.0
241.19614	1.4
248.91872	1.0
259.20670	2.7
277.21655	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	0.5
57.03437	0.5
58.94008	0.4
69.03414	1.7
70.20806	0.5
70.21157	1.7
70.99861	0.8
71.05000	0.7
73.73411	0.4
81.03430	2.9
82.99828	3.4
85.02886	0.8
89.00901	0.8
97.01392	1.2
98.20792	0.5
99.04462	1.3
100.00095	1.6
101.00888	21.8
103.00650	1.1
109.02896	2.4
113.00883	2.9
115.02435	3.2
118.01144	1.4
119.01926	20.3
121.01644	1.7
126.01659	0.8
127.02397	1.8
131.01926	3.2
133.03467	5.9
133.37833	0.4
137.02934	1.4
138.01634	0.7
139.02423	4.4
141.00328	1.7
141.03951	0.8
142.01115	2.3
143.01930	7.0
144.02657	1.0
145.03473	4.1
147.69902	0.5
151.04565	0.5
155.01836	0.6
156.02670	2.7
157.03468	19.3
159.01404	4.1
159.05013	2.0
160.02164	2.5
161.02972	12.8
162.03052	0.5
166.01129	1.3
167.01921	2.6
169.03473	2.5
171.03560	0.5
171.05045	1.4
173.02962	1.0
175.00870	0.7
175.04547	8.3
176.08139	1.1
181.03448	0.5
183.05035	3.4
184.02188	2.3
185.02971	8.7
187.03004	0.7
187.04469	2.7
189.02437	0.4
189.05972	0.6
199.04507	3.6
201.06067	2.9
203.03992	4.4
217.01999	1.0
217.05547	3.4
227.04047	0.7
235.03061	0.8
235.06630	7.3
245.05072	1.4
253.07765	2.1
259.06802	2.3
277.07690	100.0
278.07925	2.2
295.08777	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75359	0.8
61.02925	1.3
69.03422	2.1
70.16310	0.9
70.35671	2.6
70.99821	1.1
81.03420	2.0
82.99833	3.1
85.02885	1.4
97.01390	1.0
99.04408	1.0
100.00072	1.7
101.00887	21.7
103.00644	2.3
109.02866	2.6
113.00872	4.0
114.39423	0.9
115.02412	4.1
118.01176	2.2
119.01923	20.3
121.01657	4.0
126.01680	1.3
127.02386	1.8
129.03995	1.3
129.36540	0.9
131.01935	5.6
133.03464	5.7
137.02927	2.2
138.01584	1.1
139.02435	3.1
141.04019	2.2
142.01117	3.8
143.01917	11.0
144.02663	2.1
145.03500	4.5
155.02013	1.9
156.02660	3.9
157.03476	16.2
159.01447	4.2
159.05067	2.0
160.02130	2.5
161.02956	13.6
161.04756	2.4
163.04477	1.1
166.01039	1.1
167.01912	2.9
169.03456	4.0
171.05020	2.0
173.02916	1.7
175.04568	7.8
181.03439	1.1
183.05049	3.1
184.02139	2.4
185.02972	8.3
187.04527	4.7
191.02025	1.3
199.04515	3.3
201.06192	1.7
203.04004	5.0
217.03778	1.0
217.05618	3.1
235.06699	9.0
245.05054	1.2
253.07687	2.5
259.06790	1.5
277.03824	4.0
277.07684	100.0
295.03448	1.2
295.08752	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99840	1.0
70.86214	1.8
73.09482	0.7
81.03430	2.4
82.99838	3.7
85.02866	0.9
89.00957	1.1
93.62221	0.9
97.01421	1.1
99.04445	1.1
100.00115	2.3
101.00890	19.3
109.02882	1.9
113.00867	3.3
115.02415	3.3
118.01125	2.5
119.01924	15.0
121.01614	0.9
127.02443	1.6
131.01897	3.5
133.03476	4.0
138.01610	1.0
139.02422	3.3
142.01100	2.2
143.01894	6.4
144.02705	1.0
145.03494	4.1
155.01923	1.0
156.02673	2.6
157.03471	13.9
159.01404	3.3
159.05081	1.5
160.02159	1.3
161.02959	11.0
161.31430	0.8
166.01158	1.2
167.01883	2.3
169.03491	0.8
171.05002	1.2
173.02913	1.8
175.04558	6.2
183.05057	2.2
184.02144	2.5
185.02962	7.3
187.04529	1.7
199.04576	3.2
201.06114	1.7
203.04002	4.0
207.43581	0.8
217.05580	2.8
235.06607	7.8
253.07733	1.9
259.06595	1.0
277.03354	10.1
277.07697	100.0
278.07922	2.8
295.08743	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	276.196
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05504	1.5
57.03432	0.8
57.07054	0.3
58.39335	0.2
58.84924	0.2
59.05004	2.8
67.05491	0.4
69.07065	0.3
71.51458	0.3
73.06553	0.6
79.05486	0.6
81.07053	0.5
82.07397	0.2
85.06558	0.5
91.05487	0.6
93.07031	0.4
95.08637	0.4
96.18928	0.3
97.02907	0.3
97.06547	0.3
99.23584	0.3
105.07029	0.8
106.07400	0.4
107.08597	0.4
118.06551	16.4
119.07361	0.6
119.08592	0.4
120.08141	0.4
120.08935	0.3
121.10158	0.5
122.10475	0.3
131.08589	0.5
132.08089	5.4
132.09015	0.4
133.08884	2.7
133.09874	0.4
134.09618	1.1
134.10512	0.4
137.09595	0.3
138.10001	0.4
138.53151	0.3
146.09644	4.7
147.10448	0.6
148.11179	0.5
160.05013	0.3
161.11899	0.3
164.07021	0.3
169.87836	0.2
174.13542	0.4
176.14351	66.8
177.14636	0.4
182.37917	0.3
206.08139	0.9
216.17494	0.5
218.11768	0.3
232.13361	0.9
233.14244	0.3
244.10832	0.8
258.19421	0.4
276.19586	100.0
277.19849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36584	2.8
62.45009	4.1
66.82761	3.1
70.34408	6.2
70.34798	5.9
82.99847	5.7
101.00883	21.3
113.00844	3.1
115.02451	2.8
119.01952	18.0
131.01913	3.7
133.03412	3.2
139.02443	4.1
143.01907	7.0
145.03413	4.8
157.03462	15.9
161.02954	12.8
167.01917	3.0
175.04497	7.7
185.02986	5.8
195.11415	2.7
199.04512	5.0
203.03944	3.8
217.05652	3.9
235.06602	4.7
251.58746	2.7
253.07858	3.0
268.03815	2.6
271.23169	3.1
277.03207	11.0
277.07697	100.0
295.08783	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	276.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05513	5.0
56.96537	0.5
67.05488	2.1
68.05019	1.5
69.03424	1.3
70.04291	1.6
70.06579	1.4
72.08149	3.5
74.02429	1.4
79.05522	0.8
80.04996	1.4
81.07072	3.0
86.09673	0.7
92.65361	0.6
93.07050	0.9
95.08614	16.2
96.04499	40.2
97.02885	6.7
97.04848	0.8
99.04458	2.2
108.04494	6.3
114.05538	7.7
120.01984	0.6
122.09687	6.4
123.08087	3.7
126.05519	6.1
140.10712	2.0
140.97531	0.6
141.09114	3.7
142.05009	12.0
143.03371	1.7
150.09145	5.4
154.05002	12.0
168.10213	12.9
172.79120	0.5
196.09700	8.8
214.10751	100.0
232.11732	1.0
249.12004	0.6
258.13330	3.6
264.03476	0.6
276.14362	1.6
277.07404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1234
Annotation	Orixalone D
Peak:m/z	Relative Intensity
53.03946	1.7
61.06943	0.5
69.03085	0.8
69.03439	11.7
69.07081	0.5
79.01873	1.0
79.05515	0.6
79.20945	0.5
83.01354	3.3
91.05479	0.7
93.05783	0.5
93.07037	0.7
94.06577	0.7
97.02901	65.3
101.02418	0.6
105.07050	0.7
107.04976	0.8
107.08564	0.7
115.03996	0.9
115.05475	0.5
116.01685	1.4
117.07021	1.9
118.06554	10.1
119.07343	8.6
125.02358	3.1
132.08055	0.5
134.09663	100.0
135.10007	1.0
143.03421	9.7
146.06001	2.0
151.03990	0.5
160.11263	1.4
162.02263	0.6
174.05493	0.8
229.03511	0.6
258.11322	0.8
259.11148	1.0
276.12332	66.1
277.12503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13535	0.5
57.03440	12.6
67.01510	0.6
67.05480	0.6
70.06589	1.1
71.05357	1.1
76.07346	0.6
81.86578	0.6
85.06550	18.9
91.05426	1.1
97.06501	0.8
101.39651	0.6
105.07011	0.7
117.57323	0.6
121.10089	0.7
132.10233	0.6
144.08073	1.2
151.03941	0.6
160.05072	42.7
161.31761	0.6
172.05045	5.0
181.77562	0.7
192.07698	14.7
198.82062	0.6
200.11806	2.9
234.41457	0.8
238.28868	0.6
244.10834	100.0
245.11009	0.8
276.13461	26.6
276.16513	1.5
276.20047	1.7
276.25479	1.5
296.32697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.01625	1.1
55.01872	13.0
55.05238	1.0
55.05511	19.4
57.03423	2.4
57.07072	1.9
58.46176	0.9
65.03925	1.8
67.05505	21.3
69.03403	0.8
69.06732	1.2
69.07067	14.8
69.35654	6.3
71.04999	1.3
73.26334	0.7
77.03912	0.8
79.05492	26.2
81.03419	1.7
81.07059	39.6
83.04991	4.0
83.08621	6.0
85.06525	1.1
88.07648	1.2
91.05484	55.8
93.07049	23.2
95.01314	1.2
95.04980	4.8
95.07996	0.8
95.08606	14.8
97.05920	1.4
97.06529	17.9
97.10152	2.6
98.21503	1.4
103.05456	2.5
105.07034	87.7
106.07368	0.8
107.04949	7.2
107.08597	13.0
109.06527	4.3
109.10160	7.2
111.08054	1.1
116.06200	0.7
117.07019	11.4
119.08585	43.4
121.06501	3.5
121.10135	7.5
123.08067	3.1
123.11684	1.3
125.09575	1.6
129.07034	2.5
131.08568	21.2
132.09293	1.1
133.06483	1.1
133.10132	55.3
135.08087	3.7
135.11693	3.8
137.09602	1.8
139.07533	1.3
139.16252	0.7
141.06976	1.2
143.08568	2.7
145.10121	14.8
147.08009	1.0
147.11687	25.0
149.09616	6.2
149.13239	2.1
151.11183	2.9
155.08600	1.1
157.10126	3.4
159.11700	8.7
161.09651	1.3
161.13304	4.9
163.11177	3.6
165.09106	2.6
169.10175	1.3
171.11699	2.6
173.13242	3.6
175.11195	1.3
177.12787	1.9
179.14363	1.5
183.11702	3.9
185.13318	1.0
187.11157	2.1
187.14832	1.1
197.13269	2.2
201.12825	1.5
202.28619	0.8
210.49667	0.9
211.14742	1.0
215.17982	1.2
217.15840	0.8
219.13977	1.2
225.87657	0.8
229.19511	2.2
233.15114	1.0
239.17979	2.8
247.20590	4.0
254.77197	0.9
257.19055	7.3
275.20074	100.0
275.27786	10.3
276.20447	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03947	2.4
55.01871	3.1
55.05518	13.2
57.03430	2.6
57.07070	3.9
60.12991	1.1
67.05183	1.5
67.05511	18.3
69.06799	1.1
69.07074	12.6
69.23318	12.0
69.23724	2.7
70.06585	3.2
71.04982	4.4
71.06924	2.6
77.18217	1.2
79.05496	23.2
81.07063	27.6
83.04958	4.0
83.08617	4.7
85.06560	2.3
88.07616	5.6
89.07989	1.4
91.05489	37.3
93.07047	22.8
95.04972	3.7
95.08611	16.6
97.06538	3.1
97.10163	1.8
101.24264	1.1
103.05487	1.9
105.07038	56.3
106.08674	2.6
107.04977	6.0
107.08598	19.0
109.06525	9.2
109.10152	8.4
111.07337	1.3
111.08072	4.3
117.07014	11.7
119.08588	35.0
121.06493	4.4
121.10143	13.5
123.08069	6.2
129.06985	4.2
131.08565	19.1
133.06462	2.2
133.10139	41.8
135.08072	8.0
135.11658	5.7
137.09596	4.0
142.07796	1.5
143.08571	5.8
144.09332	1.6
145.10115	18.7
147.08055	2.0
147.11703	21.0
149.09613	6.8
149.13240	1.9
151.11169	2.3
155.08536	3.7
157.10133	7.8
158.10956	1.4
159.08067	1.6
159.11690	16.4
161.09619	2.0
161.13248	6.5
163.11186	4.9
169.10106	2.9
171.11700	5.4
173.13269	17.5
175.11183	3.1
175.14857	3.2
177.12772	3.0
183.11664	4.4
185.13225	2.8
187.11090	1.6
187.14752	2.6
191.14281	2.1
197.13222	4.5
199.14848	3.0
201.12714	4.9
203.14291	2.2
211.14847	1.5
213.16272	2.3
229.19499	3.1
239.18027	5.7
247.20532	3.5
257.18979	14.5
257.26636	2.8
275.20074	100.0
275.27762	41.7
276.20636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.79968	1.2
52.84348	1.2
55.05503	5.4
57.07073	1.9
67.05513	6.6
69.07070	16.8
69.29251	9.3
71.04989	4.2
72.27795	1.2
73.71932	1.4
79.05481	5.4
81.07064	8.9
83.08625	2.8
85.06550	3.8
88.07653	2.1
90.45625	1.4
91.05489	13.9
91.31551	1.2
93.07050	14.2
95.04964	2.5
95.08609	8.3
95.93912	1.3
97.06536	1.6
105.07035	19.2
107.04984	1.8
107.08589	10.8
109.06498	3.4
109.10146	5.2
109.97495	1.4
111.08096	22.7
111.11692	1.9
113.09653	3.1
113.77149	1.5
117.07011	4.6
118.17358	1.3
119.08585	16.7
121.06573	4.0
121.10133	9.4
122.07293	4.0
123.08064	16.9
123.11745	2.3
129.06987	2.2
131.08563	12.8
131.72801	1.5
133.06519	1.6
133.10126	12.9
135.08063	24.4
135.11717	4.4
137.09627	2.0
139.11194	2.4
143.08585	3.3
145.10138	11.7
147.11658	10.5
148.08820	1.9
149.09633	4.8
149.13248	1.7
156.09380	2.7
157.10158	3.0
159.11691	7.9
161.09648	4.4
161.13304	2.3
163.11201	4.6
165.12740	2.8
171.11690	17.7
173.13289	6.2
175.14867	1.8
176.11986	6.5
181.12253	15.7
183.11714	2.2
187.14819	1.5
189.12794	4.1
191.14314	100.0
192.14719	1.4
197.13394	1.7
199.14812	4.2
201.12659	2.5
213.16341	2.4
215.18047	2.5
217.15921	5.7
239.17935	3.3
257.19019	10.0
262.39285	1.5
275.20099	62.3
275.27737	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02382	0.2
53.03943	0.8
55.01861	0.2
56.05096	0.1
57.03430	0.1
66.47174	0.1
67.01861	0.3
70.04297	0.1
70.83280	0.3
77.03934	0.3
79.05487	0.8
81.07025	0.2
85.02905	0.3
85.24757	0.2
91.05470	0.2
93.07031	0.2
95.04977	0.5
97.06527	0.1
105.04507	0.3
105.07039	0.3
107.04960	100.0
108.05277	0.5
116.15383	0.2
121.06509	0.3
121.10214	0.2
123.04440	0.6
127.03909	1.0
130.18102	0.1
133.10060	0.2
149.05994	0.7
150.05479	0.2
151.03929	1.6
153.01811	0.2
169.04973	11.1
181.05035	0.2
191.03447	0.2
210.25801	0.1
246.72087	0.1
275.09158	1.7
275.20047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39840	0.4
53.03929	1.1
55.05493	1.0
56.05027	0.6
64.09552	0.5
68.04420	0.5
68.05028	4.2
69.03103	0.6
69.03426	3.7
70.06583	0.6
70.13548	0.4
71.04979	0.7
71.08430	1.2
72.88808	0.5
74.00642	0.7
78.03438	1.9
93.07022	0.6
95.01331	4.5
96.04494	11.5
97.02898	25.2
98.06052	1.4
98.09704	1.0
99.04481	0.5
106.02918	6.7
114.05541	8.2
117.07018	0.6
118.06551	3.2
119.07338	3.1
124.03952	6.1
125.02327	1.1
130.04926	0.7
134.09659	81.8
142.05005	100.0
143.05330	0.6
158.80222	0.5
160.11244	1.4
167.03391	0.7
177.03398	0.9
191.03465	1.2
201.05525	0.6
233.04480	0.6
257.04605	0.8
258.11316	1.4
275.05386	1.2
275.10669	0.7
275.13916	8.9
291.65424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34225	1.7
68.99792	3.2
70.06573	2.0
70.79150	4.5
79.05495	2.6
81.07037	2.1
84.04483	1.8
91.05479	3.2
95.04922	3.1
106.08690	2.3
111.00726	2.0
123.04452	17.3
124.04769	11.4
133.06439	2.0
145.06076	2.9
147.04356	2.6
148.04756	2.6
156.02696	19.6
159.04134	5.5
167.03436	3.2
179.03331	2.1
191.03374	9.4
199.07040	1.6
205.04761	2.0
233.04373	6.4
245.04503	3.2
246.04875	14.0
256.06006	3.0
257.04285	4.4
270.82239	1.7
274.06845	100.0
274.27271	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	274.2741
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.07081	8.3
58.06610	0.5
60.40386	0.4
62.06078	0.5
68.68831	0.4
69.71593	2.3
70.06599	13.8
71.08644	3.4
73.19323	0.4
85.10160	1.0
86.66711	0.4
88.07637	17.3
98.20790	0.5
102.09190	4.1
106.08678	9.5
122.45134	0.4
124.92975	0.3
135.19472	0.3
199.87389	0.4
212.23732	0.6
221.47833	0.5
230.24854	1.1
256.26367	7.5
274.27420	100.0
275.27740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0916
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
50.65393	0.4
50.74091	0.4
52.02579	0.4
52.82096	0.4
53.03953	0.7
53.81491	0.4
55.01867	1.8
59.62865	0.3
65.03947	1.3
67.05495	1.2
68.99798	2.0
69.03410	0.8
69.48291	1.3
69.48709	1.5
79.05499	1.0
81.07085	0.9
83.04987	1.3
85.02941	0.8
91.05490	1.0
93.03423	0.8
93.07073	0.8
95.04960	1.9
97.02905	1.7
97.06538	0.4
98.97590	0.8
103.05486	4.1
105.07044	0.8
107.04963	54.4
111.04453	3.2
117.07012	0.8
121.02885	1.5
121.06517	5.1
123.04428	0.8
127.03899	1.0
131.04970	2.5
133.06537	0.8
135.04437	1.4
139.03912	100.0
141.07031	0.4
141.70009	0.4
145.06497	8.6
145.10121	0.6
146.91373	0.4
147.04424	1.2
149.05994	26.8
151.03957	1.2
153.01820	0.6
153.05524	0.6
158.74355	0.4
161.05977	1.9
163.03880	1.0
163.07518	2.5
167.03474	0.6
169.05023	2.5
173.05989	3.4
181.04984	0.5
187.07442	0.7
189.09070	0.5
191.03418	1.1
191.07050	7.7
194.06007	0.6
218.91245	0.4
229.05006	0.5
231.11378	0.5
233.04436	0.6
233.08090	1.3
247.05997	0.5
251.05499	0.4
257.04559	0.7
257.08151	1.4
275.05573	1.0
275.09088	6.2
275.13745	0.6
275.18030	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03949	2.3
55.05511	10.2
56.21248	1.8
57.07063	6.2
59.05001	2.9
61.17864	1.9
67.05514	15.9
67.58314	2.0
69.03442	3.8
69.07080	14.9
70.09488	8.0
79.05503	14.0
81.07066	29.2
83.04964	1.9
83.08604	5.5
85.06573	4.4
91.05488	28.6
93.07053	21.3
95.04964	7.6
95.08619	25.4
98.97589	6.6
105.07043	36.1
107.05001	10.0
107.08601	19.3
109.06541	21.8
109.10185	12.4
111.00796	2.9
111.08111	2.4
115.05461	3.6
117.07038	12.5
118.83543	1.7
119.04961	17.7
119.08592	29.9
120.13322	2.0
121.06512	4.3
121.10162	20.2
123.04446	23.9
123.08077	5.0
123.11720	2.8
128.06239	6.1
129.06996	11.4
130.07748	2.9
131.08542	17.4
133.06544	11.6
133.10138	23.2
135.08080	11.1
135.11700	8.1
137.09552	2.7
141.06973	7.4
142.07816	12.9
143.08585	21.2
144.09296	5.1
145.10129	24.7
147.04411	38.2
147.08098	4.9
147.11717	14.7
149.06007	3.5
149.09641	5.3
149.13307	3.6
153.01846	79.4
153.07005	5.7
154.07796	3.5
155.08556	16.4
156.09386	14.7
157.10144	29.0
158.07367	2.3
158.10925	3.3
159.08064	4.7
159.11702	10.9
161.09618	6.9
161.13268	6.7
163.14871	2.9
165.06982	3.9
166.07747	2.0
167.08575	5.7
168.09393	3.1
169.10130	21.0
170.10936	5.5
171.11694	31.4
172.12483	3.2
173.09639	17.4
173.13278	7.8
173.32027	1.8
174.10339	2.8
175.11188	11.7
175.14815	4.2
180.09477	1.9
181.10107	8.3
181.70998	1.9
182.10991	11.0
183.11682	12.6
185.09631	4.5
185.13287	11.1
187.11230	4.1
187.14738	2.6
189.12753	15.7
189.16316	2.7
191.17892	2.5
192.12682	3.5
193.10240	3.2
194.10994	3.1
195.11717	9.0
196.12476	5.7
197.13281	40.3
198.14001	5.4
199.11188	16.5
199.14841	2.3
207.11711	6.7
208.12532	2.1
209.13214	4.3
211.14809	16.8
212.11925	2.7
212.15594	14.0
213.12834	4.5
213.16403	30.1
214.13475	2.8
215.14380	10.6
217.12157	4.8
217.19409	2.3
222.14120	6.0
225.12849	5.4
227.14317	9.8
227.17892	4.1
229.15883	9.0
229.76260	2.0
230.16742	3.5
231.17535	7.6
235.40573	1.9
237.16397	8.6
240.15103	7.5
241.08585	2.5
255.17442	59.4
262.80991	1.9
273.07599	71.2
273.10617	2.7
273.18518	100.0
273.25818	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05505	7.0
57.07063	4.9
67.05506	10.0
69.07064	10.4
71.04994	3.4
71.16344	3.0
73.17811	1.9
79.05472	8.8
81.07057	17.1
81.68860	1.7
83.04971	1.8
83.08614	3.5
85.06570	3.6
91.05491	17.9
93.07038	15.7
95.04955	5.6
95.08608	11.1
97.06508	3.4
98.97594	2.0
103.05466	1.8
105.07038	26.8
107.04952	1.9
107.08604	15.8
109.06515	22.1
109.10149	7.6
111.00725	1.7
111.08053	2.3
115.05519	1.8
117.07016	8.1
119.04927	2.8
119.08594	31.8
119.35051	1.7
121.06506	3.7
121.10165	12.3
123.04419	28.0
123.08079	4.2
123.11697	3.0
128.06216	7.5
129.07036	13.0
130.07768	4.8
131.08580	16.5
133.06465	7.1
133.10124	13.1
135.08058	11.1
135.11713	3.6
137.09567	2.1
141.06976	6.1
142.07776	9.0
143.08563	24.7
144.09332	4.2
145.06491	2.9
145.10109	22.1
147.04401	3.1
147.08058	5.2
147.11708	11.9
149.05942	3.6
149.09581	3.4
152.06200	2.5
153.01842	2.2
153.06981	8.0
154.07806	2.3
155.08556	18.5
156.09352	15.3
157.10139	34.1
157.11351	3.6
159.08086	6.1
159.11731	12.8
161.09642	5.0
161.13243	3.2
163.03952	1.7
163.14819	2.3
165.07013	6.0
166.07841	2.2
167.08589	8.8
167.10709	1.9
168.09264	2.9
169.10135	23.9
170.10980	8.7
171.11702	31.8
172.12457	3.3
173.09630	21.7
173.13275	8.8
174.10374	2.3
175.11238	8.1
179.08543	2.0
180.09341	2.1
181.06493	7.9
181.10135	13.3
182.10925	16.6
183.11720	11.2
185.09618	4.7
185.13287	11.7
187.11217	3.0
187.14778	3.1
189.12790	16.0
191.18225	1.8
193.10149	4.1
194.10847	3.3
195.08249	2.3
195.11646	10.5
196.12483	8.4
197.13260	40.0
198.13962	4.4
199.11157	20.6
199.14754	1.8
207.11758	4.6
208.12471	3.8
209.13277	4.8
211.14825	33.4
212.12019	1.9
212.15611	14.0
213.09079	3.5
213.12828	5.7
213.16388	29.5
214.13588	3.4
215.14226	9.9
217.12270	3.9
217.19502	2.0
222.14030	4.3
225.12822	4.9
227.14288	13.8
227.17906	1.9
229.15887	10.3
230.16751	1.8
231.17442	5.3
237.16330	10.0
240.15138	6.2
241.08633	4.6
255.17448	71.2
273.07565	14.4
273.11078	4.7
273.18500	100.0
273.25827	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05503	5.1
57.03436	1.6
57.07070	1.3
59.04993	1.9
60.00991	1.0
67.05498	8.9
69.03420	1.9
69.07069	4.1
69.41195	1.0
69.76363	4.8
71.05002	6.0
79.05485	5.1
81.07050	9.0
81.50301	1.1
83.04962	3.2
83.08621	3.8
85.06545	5.3
91.05489	10.7
93.07065	10.7
95.04972	25.8
95.08619	7.5
97.06520	1.7
99.08099	3.0
103.05486	1.2
105.07037	21.0
107.04945	1.3
107.08601	12.8
109.06518	27.5
109.10160	10.6
111.08109	5.5
113.05968	2.2
113.39725	1.0
115.05462	2.2
116.06201	1.0
117.07014	5.3
117.58626	0.9
119.04984	1.1
119.08585	33.3
121.06517	3.2
121.10165	7.1
123.04453	5.6
123.08071	18.2
123.11711	3.0
128.06216	3.3
129.07002	4.8
130.07806	3.5
131.08565	16.4
133.06508	1.8
133.10126	14.7
135.08072	9.1
135.11665	2.8
137.09608	8.5
141.06999	2.9
142.07799	8.5
143.08578	14.4
144.09349	4.6
145.10130	48.6
147.08063	4.5
147.11691	18.0
149.09604	4.9
149.13228	1.6
151.07532	3.2
151.11206	3.1
154.07698	1.1
155.08563	6.6
156.09363	12.3
157.10132	32.5
158.10921	4.9
159.08105	6.7
159.11714	15.4
161.09668	7.0
161.13257	4.9
163.11200	3.0
165.07030	2.6
167.08597	2.0
169.10179	5.9
170.10927	3.8
171.11685	24.6
172.12476	3.2
173.09621	11.1
173.13263	26.9
174.10332	3.0
175.11221	9.6
177.12761	2.7
181.10184	3.0
182.10977	5.3
183.11696	4.1
185.09636	2.5
185.13242	10.4
187.11174	15.3
187.14812	7.5
188.11893	1.8
189.12753	19.9
191.82956	1.2
195.11728	3.3
197.13292	16.6
198.13922	1.5
199.11192	11.6
200.11913	2.1
201.12663	2.4
203.14363	5.9
203.16028	1.3
207.11734	2.3
211.11131	1.5
211.14920	4.0
212.15636	2.7
213.12860	5.8
213.16397	15.0
214.13489	1.5
215.12267	2.3
215.14323	45.4
217.12234	10.2
217.14140	1.8
222.13866	1.4
225.12794	3.2
227.14148	1.7
227.17958	2.6
229.15916	5.4
231.13966	2.4
231.17487	18.8
237.16434	4.3
240.15150	1.7
245.19141	1.8
255.17455	32.7
273.07764	1.6
273.18515	100.0
274.18793	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	273.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54785	0.5
50.73433	0.6
52.62255	0.6
55.05510	1.8
57.03438	0.9
59.05013	2.7
59.71319	0.7
61.02924	4.8
70.00896	0.7
70.80556	1.6
70.87084	0.5
71.04994	4.0
79.05486	2.6
80.04980	0.9
81.04545	45.7
81.07057	10.3
83.06089	2.2
95.06094	33.5
98.20886	0.7
99.08112	0.7
107.06090	1.3
123.04453	2.0
125.07122	41.6
131.51767	0.6
143.08170	36.7
153.06592	0.8
156.53464	0.6
157.04834	0.6
162.10814	0.7
163.12312	4.7
172.55328	0.6
193.13441	1.9
197.12804	0.7
205.13435	1.2
223.14442	6.2
241.15477	31.4
255.17149	1.2
273.18100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1124
Annotation	3-Hydroxy-3'-methoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02375	0.4
53.03946	1.1
54.04820	0.2
55.01865	0.4
55.05505	0.6
56.96552	0.3
63.40039	0.2
65.03955	0.3
67.05500	1.1
68.17196	0.2
68.99791	0.5
69.07063	0.6
70.06566	0.2
71.04997	0.2
71.50764	0.2
71.51160	0.2
74.81103	0.2
76.99557	0.2
77.03893	0.2
78.04711	0.9
79.05493	0.7
81.07064	1.4
83.04958	0.3
83.08601	0.2
83.34991	0.2
91.05486	2.8
93.07047	0.9
95.04964	1.1
95.08614	1.2
97.06459	0.2
98.97604	0.3
102.33157	0.2
105.03416	0.3
105.04524	0.4
105.07037	0.5
106.04184	0.3
107.04956	0.5
107.08575	0.6
109.10152	0.7
111.00800	0.9
111.04498	0.3
119.04947	0.6
119.08600	0.7
121.06510	100.0
122.06819	0.7
123.04433	15.3
123.11667	0.5
127.03840	0.2
131.08609	0.5
133.10152	0.5
135.04416	1.4
135.11687	0.4
137.05934	0.2
139.03894	1.4
143.08640	0.2
145.06482	0.3
145.10141	0.5
147.04399	2.0
147.11731	0.4
149.06006	0.5
149.13246	0.3
151.03899	0.4
152.06186	0.2
153.01828	0.4
153.07014	0.9
157.06506	0.2
157.10194	0.4
159.11652	0.5
161.13496	0.2
163.03909	1.3
163.07526	0.5
170.88664	0.2
171.11687	0.5
175.11223	0.2
175.14844	0.3
177.16483	0.2
177.21602	0.2
181.06450	1.1
181.10208	0.3
185.09674	0.3
189.05544	1.2
189.06993	0.2
199.07526	0.3
201.05588	0.2
209.01213	0.3
209.06044	0.3
213.05121	0.2
213.09143	0.7
227.02278	0.8
227.06981	0.3
241.08569	0.6
245.08179	0.3
255.06659	0.4
255.17339	0.3
273.07608	5.5
273.11191	1.0
273.15317	0.4
273.18567	0.7
273.22885	0.3
273.25809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1122
Annotation	Phoyunbene C
Peak:m/z	Relative Intensity
50.59342	0.9
51.02388	1.2
53.03944	2.8
54.67679	0.8
55.01873	2.4
55.05505	2.0
60.44868	0.7
64.06866	0.8
65.03944	1.3
67.05497	3.6
68.99782	3.1
69.03400	0.9
69.07055	3.0
71.04993	0.8
77.03939	1.0
78.04710	0.8
79.05496	4.2
81.03376	0.9
81.07064	5.7
83.04996	2.2
83.08604	1.4
85.02908	2.9
89.03902	0.9
91.05482	20.3
93.07046	7.4
95.04990	6.8
95.08603	5.2
97.02886	0.9
99.04484	0.9
103.05453	11.8
105.03387	2.3
105.04520	1.4
105.07039	4.0
107.04983	6.9
107.08598	3.8
109.02895	1.0
109.06528	1.4
109.10145	2.6
111.00796	3.0
111.04441	1.8
117.03344	0.9
117.07003	1.3
119.04938	6.4
119.08575	4.0
121.02901	1.6
121.06509	37.1
121.10133	4.2
123.04434	72.4
123.08022	1.7
123.11702	1.3
124.05209	1.2
125.06016	1.5
128.06236	1.4
129.07016	1.9
131.04935	10.4
131.08575	2.4
133.02879	2.0
133.06462	0.8
133.10110	2.2
134.03630	3.7
135.04419	10.8
135.08008	1.2
135.11659	1.3
137.05983	11.2
139.03915	4.9
141.07002	1.5
142.07814	0.9
143.04912	1.2
143.08556	2.3
145.06485	1.7
145.10127	1.3
147.04428	8.9
147.11668	1.8
148.05190	3.2
149.05983	32.4
149.13278	1.6
150.06789	5.1
151.03894	2.8
151.07567	5.0
152.06229	8.2
153.01825	3.6
153.06993	15.7
154.07785	1.1
155.08582	2.8
157.06424	1.8
157.10109	1.7
159.11678	1.6
161.05994	2.2
161.13289	1.0
163.03915	4.9
163.07564	8.4
163.14821	1.1
165.06972	4.4
166.07695	1.0
167.08563	2.7
169.06502	4.0
170.07263	5.0
171.08089	1.6
171.11734	1.4
175.07610	2.3
177.09102	1.4
177.16335	1.1
180.05710	3.5
181.06479	26.0
182.07251	7.2
183.08049	1.7
184.08775	0.9
185.09528	3.9
185.13344	1.0
187.07530	3.2
189.05431	2.4
189.09123	1.4
195.08047	8.7
197.05991	6.1
198.06763	13.3
199.07484	4.3
201.05368	1.3
208.05116	2.0
209.06047	3.5
210.06740	3.1
211.07425	1.5
212.08315	2.7
213.09105	35.1
215.07060	1.7
223.07501	4.1
225.05505	1.4
226.06310	5.2
227.07019	2.8
227.10684	2.7
229.08492	1.1
231.06375	0.9
240.07875	2.0
241.08614	22.1
242.09306	6.9
249.67041	1.4
255.06529	1.8
255.10260	3.5
255.17534	1.0
257.07993	0.9
258.08844	4.1
273.07608	27.2
273.11221	100.0
273.18558	4.1
273.22165	2.5
273.25800	2.2
274.07959	0.9
274.11475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
53.03946	0.5
55.05518	1.0
57.07061	0.4
59.81342	0.2
60.23895	0.2
65.03954	0.2
67.05508	2.0
68.99793	0.5
69.03428	0.2
69.07067	2.5
69.32259	1.6
71.08627	0.2
77.03920	0.6
77.75314	0.2
78.04713	0.6
79.05491	1.1
79.37218	0.2
81.03455	0.2
81.06590	0.3
81.07061	4.9
83.04981	0.2
83.08618	1.0
89.43936	0.2
91.05484	3.6
93.07045	3.2
95.04975	1.3
95.08604	6.1
97.02896	0.2
97.10146	0.6
98.21498	0.4
101.55645	0.2
105.04536	0.5
105.07038	2.8
106.04200	0.3
107.04968	0.8
107.08607	3.7
109.10162	3.5
111.00784	0.3
114.48599	0.2
117.07052	0.3
119.04945	2.5
119.08585	2.0
121.06507	100.0
121.10117	2.6
122.06847	0.7
123.04431	10.6
123.11719	1.3
131.08562	0.3
133.10136	2.2
135.04424	0.8
135.11679	1.7
137.13264	0.6
139.03922	0.6
145.10114	0.3
147.04422	5.3
147.05551	0.4
147.11708	1.9
149.13263	2.1
151.03906	0.3
151.14812	0.3
153.01830	10.5
153.06972	0.2
154.02135	0.2
157.10149	0.4
161.13239	1.6
163.03928	0.5
163.07559	0.3
163.14824	1.9
173.13274	0.3
175.14836	1.0
177.16394	1.6
181.06490	0.5
187.14755	0.2
189.05435	0.4
189.16444	1.0
191.17987	0.7
199.14861	0.2
203.17989	1.3
213.09155	0.2
217.19583	1.7
241.08719	0.3
255.10193	0.3
273.07596	10.0
273.11075	1.0
273.18198	0.2
273.22742	0.3
273.25781	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	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04667	0.7
51.02366	0.7
51.41274	0.6
56.80134	0.6
67.01862	2.9
68.99782	2.4
69.03426	1.4
69.20138	0.6
70.62855	2.0
75.16267	0.6
91.05479	7.5
95.04968	1.8
97.02877	0.9
107.04937	2.6
111.00819	1.5
119.04119	1.3
119.04947	17.4
121.06493	0.9
121.14751	0.6
123.04426	23.9
135.04430	1.3
140.97395	0.6
142.71724	0.6
147.04411	42.0
151.03929	0.9
153.01831	100.0
154.70331	0.7
163.03915	1.9
171.02905	1.7
179.03326	1.0
189.05505	1.8
205.05008	0.7
206.88708	0.7
222.73285	0.6
255.06619	1.3
273.07578	79.2
274.07904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.11201	0.4
65.03931	0.6
67.01882	2.7
67.05506	0.8
68.99797	2.4
69.03442	2.1
70.90197	1.1
81.03431	0.5
81.07064	0.9
85.02956	0.4
86.56477	0.4
91.05492	7.1
95.04959	2.1
95.08599	0.4
97.02911	1.1
107.04971	2.3
111.00807	1.4
117.07050	0.5
119.04955	16.6
121.02885	0.5
121.06487	0.7
123.04440	20.6
129.07057	0.6
135.04411	0.8
139.03899	1.3
147.04425	43.3
149.99573	0.4
151.03908	0.8
153.01842	100.0
153.18266	0.4
154.02229	0.8
157.06528	0.5
161.05949	0.5
163.03993	0.6
171.02908	1.3
179.03406	0.8
181.06436	0.9
189.05464	1.2
213.09129	0.8
231.06534	0.7
241.08582	0.5
255.06541	0.8
273.07599	70.1
274.07932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.4
65.03916	0.4
67.01880	2.3
67.05508	0.3
68.99794	2.2
69.03450	1.4
71.07162	0.5
76.79993	0.3
81.03434	0.4
81.07023	0.4
83.01312	0.6
83.04967	0.5
91.05489	6.6
95.04980	2.1
97.02891	0.6
101.30975	0.3
105.07008	0.4
107.04950	2.4
111.00793	1.1
111.04389	0.3
119.04949	18.4
121.02875	0.7
121.06511	0.7
121.10115	0.4
123.03574	0.5
123.04440	7.9
125.02335	0.4
132.08095	0.5
139.03922	0.3
145.10120	0.3
147.04416	43.4
148.04718	0.5
151.03935	0.9
153.01836	100.0
154.02170	0.8
159.09209	1.2
163.03900	0.4
169.07686	0.4
170.06015	0.6
171.02908	2.6
179.03418	0.9
181.06485	0.7
185.07135	0.6
187.08672	0.4
189.05486	0.9
207.06465	0.3
227.08304	0.7
231.06557	0.3
241.08607	0.5
245.09200	1.1
245.12900	0.4
255.06689	0.9
273.07581	73.3
274.07971	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
51.02379	0.8
53.03938	0.9
55.01871	0.8
56.23253	0.2
56.96554	0.5
64.18675	0.3
65.03931	0.5
67.05499	1.4
67.27063	0.3
68.99795	5.2
70.06603	0.3
70.22802	1.0
77.03934	2.0
79.05489	0.4
81.03402	0.4
81.07071	0.3
83.04993	0.4
91.05475	1.1
93.03373	0.4
95.04974	5.4
105.03407	2.6
105.04533	0.4
105.07047	0.7
107.04969	1.4
109.02887	0.3
111.00815	4.5
111.04411	0.5
115.05457	0.7
117.07066	0.4
119.04948	1.2
121.02879	0.4
123.04436	100.0
124.04774	0.5
127.03894	0.6
129.07028	0.4
133.06488	0.8
135.04428	4.0
136.30786	0.3
137.02348	0.7
137.05986	0.3
139.03920	2.4
141.06993	0.4
143.04932	0.5
145.06499	1.0
147.04419	9.1
148.05208	0.6
149.02342	0.4
151.03918	3.1
152.06238	0.4
153.07037	1.0
157.06471	0.8
161.06009	2.1
163.03914	7.0
163.07561	2.5
165.37737	0.3
166.96642	0.3
171.04442	0.7
175.07457	0.3
181.06479	1.6
185.06000	1.0
187.07516	0.4
189.05479	5.1
199.07530	1.7
203.07016	0.7
209.01218	0.6
209.06015	0.4
213.05473	0.7
213.09142	0.4
227.02336	1.2
227.07019	1.6
228.10136	0.3
231.06546	0.9
237.05403	0.6
237.14745	0.4
245.08093	1.0
255.06543	3.0
255.10864	0.3
273.07584	22.3
273.12195	0.7
273.18878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
51.02379	0.7
51.68525	0.3
53.03943	1.1
55.01879	0.7
55.05515	0.5
57.07077	0.4
65.03957	0.4
67.05506	1.5
68.99794	2.6
69.07058	0.8
70.06592	0.5
77.03938	1.4
79.05507	1.0
80.07770	0.4
81.03423	0.6
81.07066	1.4
81.83240	0.3
83.04984	0.8
83.08646	0.4
89.03951	0.8
91.05499	1.6
92.33244	0.3
93.07043	0.9
95.04971	2.0
95.08619	1.0
97.06553	0.5
105.03384	2.0
105.04535	0.5
105.07033	1.2
107.04964	5.9
107.08596	0.9
109.10155	0.9
111.00807	3.9
111.04466	0.8
115.05504	0.5
117.03345	0.7
117.06966	0.6
119.04921	2.0
119.08569	0.9
121.06520	0.6
121.10150	0.6
123.04436	100.0
123.11719	0.4
124.04792	0.6
126.12812	0.4
127.03944	0.4
128.06284	0.4
129.07016	0.9
131.04942	0.5
131.08582	0.7
133.06548	0.8
133.10149	0.7
135.04430	10.7
137.02342	0.8
139.03912	8.4
143.08617	0.6
145.06496	1.1
145.10115	0.7
146.05992	0.4
147.04425	10.8
147.06767	0.7
148.05176	0.5
149.02397	0.5
149.05991	1.1
149.13283	0.5
151.03958	1.5
153.01846	1.1
153.07005	1.5
157.06497	0.8
157.10121	0.7
160.07716	0.3
161.06027	0.9
162.07820	0.3
163.03931	6.7
163.07532	2.7
163.14926	0.5
167.07095	1.0
169.06490	0.6
171.04453	0.4
171.08005	0.4
171.11714	0.4
172.57640	0.4
181.06493	2.1
185.05952	0.6
185.09657	0.3
187.07536	0.5
189.05486	3.4
199.07536	1.5
209.06131	0.6
212.04738	0.5
213.05479	1.4
213.08990	0.8
215.07079	0.3
227.07089	0.7
229.08571	0.5
231.06561	1.2
241.08725	1.1
245.08087	1.3
255.06493	2.4
255.17607	0.5
273.07590	35.2
273.11261	1.0
273.12198	1.1
273.18753	0.9
273.22433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.00072	0.3
55.01875	0.7
55.05503	0.6
57.97826	0.4
62.39341	0.3
67.01871	7.5
67.05508	0.7
68.99785	3.4
69.03418	1.6
69.07069	0.9
69.43989	0.9
69.44386	2.7
72.39684	0.4
79.05484	0.7
80.03024	0.4
81.03425	1.0
81.07040	2.1
83.01361	0.9
91.05485	4.8
93.07021	1.0
95.04967	1.5
95.08615	1.6
97.02898	1.5
101.07697	0.4
105.07022	1.2
107.04979	2.7
107.08607	0.9
109.10171	1.3
111.00792	1.5
111.04418	0.5
118.68688	0.4
119.04959	11.4
119.08586	0.9
121.06503	1.1
121.10149	0.8
123.04440	9.9
123.11682	1.2
125.02357	0.8
126.77292	0.4
129.01814	1.1
133.10162	1.4
135.04431	0.8
135.11700	0.5
147.04420	28.0
147.11749	0.9
149.06003	0.4
149.13286	1.0
151.03967	0.6
151.14882	0.5
153.01840	100.0
154.02159	0.7
161.13199	0.7
163.03885	0.8
163.14871	0.6
171.02895	13.0
177.45363	0.4
179.03404	1.9
181.06491	0.5
189.05502	1.0
191.18164	0.4
198.06755	0.5
199.80731	0.5
203.17953	0.5
213.09155	0.7
213.39430	0.4
217.19498	0.8
227.06929	0.5
241.08664	0.7
253.11063	0.5
273.07599	57.7
273.25739	3.4
274.07922	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	272.1131
Annotation	Deidaclin
Peak:m/z	Relative Intensity
55.01875	0.4
55.05531	0.3
56.96576	1.5
57.03443	1.3
60.42329	0.3
61.02934	1.4
65.03946	1.2
68.05047	0.3
68.96181	0.3
69.03436	3.7
70.06609	1.6
70.34393	0.8
71.04998	0.5
72.08157	0.4
73.02919	0.4
79.05505	0.6
81.03436	1.7
81.04531	0.6
81.07064	2.0
82.06561	0.4
83.06098	2.4
84.08162	0.8
84.96046	0.9
85.02914	9.0
87.04498	0.5
91.03966	0.5
92.05006	5.4
93.04543	1.5
94.06566	0.5
95.06096	3.1
97.02898	3.9
97.06568	0.3
98.97598	1.5
99.04472	0.6
101.00887	0.4
103.00646	1.0
109.02888	0.9
110.06052	100.0
110.07155	20.9
111.05570	0.7
111.06397	0.8
112.08736	0.7
115.00657	0.4
115.02465	0.3
117.02187	0.7
119.01951	1.1
121.01651	0.6
121.62419	0.3
124.99145	0.9
126.12813	0.9
127.03924	2.1
131.01953	0.5
131.03761	0.6
134.10884	0.3
135.03259	0.4
143.00198	1.4
143.01952	0.4
145.04970	1.4
153.05818	0.4
155.01904	0.3
156.03282	0.4
156.07722	2.6
161.01227	0.4
161.02937	0.6
163.02736	0.3
163.12341	2.0
175.11903	0.3
177.00806	0.4
184.04636	0.5
190.13434	0.7
208.14494	3.0
211.14250	0.4
212.07715	0.4
219.01880	0.8
223.01378	0.3
226.15491	3.8
254.14929	3.5
272.11591	3.2
272.16043	17.8
272.19507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31827	15.0
53.22919	12.5
57.02653	14.4
69.03435	28.2
69.54868	100.0
70.06564	19.3
85.02895	45.1
101.00845	28.5
119.01962	21.6
126.12779	18.9
127.03938	17.8
142.05069	17.0
143.01907	58.8
152.60703	16.8
157.55348	13.6
161.02908	33.7
174.04436	33.7
187.04524	17.3
203.03992	20.8
264.76938	16.5
273.18127	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	271.1906
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
51.02374	1.3
53.03939	2.8
55.01876	5.9
55.05516	39.2
57.03440	26.7
57.07069	3.2
65.03926	3.1
67.05509	54.2
68.99796	6.6
69.03406	3.3
69.07073	31.6
70.17416	3.3
70.17828	1.7
71.04990	14.7
71.08622	3.2
73.06519	1.1
79.05020	1.0
79.05497	27.2
81.07061	85.9
83.04996	6.2
83.08620	22.5
85.02901	3.1
85.06548	9.4
91.05490	26.0
93.07050	24.4
95.04964	3.8
95.08612	100.0
97.06538	17.0
97.10162	6.4
98.21396	1.5
99.08090	5.5
100.28989	1.2
101.06023	1.1
102.03771	1.0
103.05474	1.0
105.07040	20.5
107.04939	3.4
107.08592	11.7
109.06506	3.7
109.10152	16.7
111.04469	1.0
111.08072	5.8
113.05988	1.1
113.09640	1.7
115.05410	1.8
116.96380	1.0
117.07011	3.0
119.04932	3.9
119.08589	24.9
121.06501	2.5
121.10178	6.5
123.04397	1.2
123.08075	6.0
123.11681	1.1
125.09628	2.2
126.33188	1.1
127.03934	1.2
127.07595	2.0
129.07019	2.5
131.04886	1.9
131.08578	3.3
133.10139	18.0
134.98166	0.9
135.04396	2.8
135.11676	8.8
137.05984	1.8
137.09621	3.1
137.13280	7.2
138.89862	1.0
141.06979	3.6
143.08534	2.2
145.10112	3.4
147.04396	2.4
147.11664	1.1
149.02338	5.1
149.13235	2.9
151.03877	2.9
151.11211	2.0
152.06294	1.5
153.06992	5.8
155.04921	1.9
155.08575	4.0
157.06508	2.9
157.10091	1.2
159.04382	1.7
159.08029	2.1
159.11693	3.4
161.09618	1.2
161.13263	29.4
165.07013	15.7
168.05730	2.2
169.06488	3.9
173.05927	4.9
173.13208	2.2
175.14850	1.2
179.14305	11.2
181.04971	2.2
181.06454	4.6
182.07280	2.6
183.04457	3.2
183.08054	8.0
183.11703	1.6
185.06012	3.2
187.07564	1.8
187.14769	1.1
193.06461	3.1
196.05214	2.9
197.05974	6.1
200.08371	1.4
201.05521	3.3
203.06989	2.1
211.07564	10.9
212.08356	2.5
213.05501	1.1
215.06973	6.4
221.06015	2.5
225.05368	1.8
228.07867	1.8
229.04953	4.8
235.05946	1.3
239.06956	2.3
243.06593	4.4
243.10204	3.7
253.04936	3.0
253.18057	3.4
271.06012	32.0
271.09634	23.1
271.19049	55.1
271.24200	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	271.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01868	6.5
55.05514	40.0
57.03442	33.0
57.07064	2.9
65.03928	2.6
67.05508	60.7
67.10118	1.4
68.13510	1.3
68.99798	3.3
69.03407	2.0
69.07074	29.6
70.06600	1.8
70.45705	4.8
71.05000	13.8
79.05499	27.9
81.03423	1.7
81.07062	89.4
83.04971	4.4
83.08626	21.8
85.06546	9.6
91.05483	27.0
93.07047	23.6
95.04964	3.6
95.08611	100.0
97.06541	16.2
97.10208	7.3
99.08087	3.6
100.67599	1.3
101.05992	1.5
105.07047	20.4
107.08595	13.1
109.06522	3.7
109.10148	16.0
111.08075	4.0
117.07044	2.5
119.04967	4.0
119.08587	22.5
121.06463	2.2
121.10157	6.1
123.08069	3.6
123.11685	1.7
125.09637	2.0
125.75525	1.4
128.06216	1.8
129.06989	2.1
131.04858	1.4
131.08556	3.8
133.10127	18.8
135.04437	2.6
135.11720	8.5
137.05959	3.1
137.09618	4.4
137.13269	4.7
139.05275	1.4
141.07011	2.5
145.06534	2.3
145.10194	1.4
149.13293	1.5
151.03931	3.8
151.11255	1.9
152.06233	2.4
153.01894	1.6
153.06990	9.6
154.07733	1.5
155.08578	6.6
157.06512	2.6
157.10170	1.7
159.08104	1.4
159.11684	1.5
161.13260	29.7
165.07018	22.8
168.05743	2.9
169.06490	3.2
171.11659	2.0
173.06029	3.1
179.14294	16.1
181.04994	2.9
181.06503	5.8
182.07306	3.5
183.04436	1.5
183.08076	14.7
185.05981	2.0
193.06499	3.7
196.05219	3.7
197.05994	3.8
210.06799	1.6
211.07552	11.1
212.08324	2.6
215.04953	1.5
221.06021	4.5
225.09349	1.7
228.07742	1.7
229.05083	3.7
239.07120	3.6
243.10164	1.9
243.17389	2.0
271.06079	28.0
271.09692	25.7
271.19092	54.3
271.23898	3.1
272.06171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01863	1.5
55.05516	17.6
57.03442	13.6
57.07065	0.9
58.15074	0.4
60.62606	0.4
65.03949	1.0
67.01854	1.8
67.05510	25.0
68.99784	1.1
69.07073	13.8
69.90817	1.6
71.04993	4.9
71.88158	0.4
73.06542	0.8
77.03937	0.5
79.05498	11.8
81.07063	35.8
82.55971	0.4
83.04990	2.4
83.08619	9.1
85.02917	0.6
85.06556	3.3
91.05492	10.7
93.07057	8.9
93.39786	0.4
95.04961	1.5
95.08614	42.7
96.08918	0.5
97.06536	6.8
97.10184	3.3
99.08095	2.7
101.06017	0.8
105.04528	0.4
105.07041	7.9
107.08598	3.5
109.06516	1.3
109.10156	4.9
111.08072	1.8
113.09644	0.5
117.07015	0.6
119.04959	5.8
119.08587	10.8
120.64355	0.4
121.02854	1.8
121.10135	1.7
123.08064	2.1
131.04872	0.5
133.10139	6.9
135.11697	3.5
137.09605	1.6
137.13257	3.4
141.06963	0.7
145.02870	2.5
151.03871	0.7
153.01840	11.0
153.06944	1.1
155.08539	0.8
155.97711	0.4
157.06458	0.7
161.13268	11.6
163.03871	0.5
165.07004	3.3
168.05814	0.5
169.06400	0.8
171.02887	0.7
179.14323	5.8
181.06441	0.6
183.08069	1.7
185.06015	0.5
193.06479	0.5
197.05972	1.0
207.04413	0.6
211.07538	2.1
212.08353	0.5
229.04889	1.0
243.06630	0.9
243.15114	0.4
252.09221	0.4
253.17973	1.2
271.06033	100.0
271.09265	3.2
271.19043	24.3
272.06491	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	271.1443
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05511	2.2
57.03432	2.3
57.07068	0.9
67.05509	7.0
68.99799	1.7
69.07058	2.5
71.04981	1.1
79.05499	6.1
81.05788	1.3
81.07076	7.5
83.08608	1.4
91.05488	4.4
93.05791	1.4
93.07041	3.1
94.06561	1.9
95.04948	1.0
95.08599	2.6
96.08130	3.5
98.20776	2.9
105.07022	3.0
106.06544	2.9
107.08588	2.7
108.08135	12.9
109.10145	3.7
115.05508	0.9
117.07008	1.2
118.06525	1.0
119.08540	1.0
121.10152	1.0
122.09665	1.6
123.08053	0.9
123.11737	1.0
124.15729	0.9
128.06252	1.1
129.07025	1.8
133.10143	4.0
134.06027	2.6
136.07603	1.4
141.06956	1.4
141.45613	0.8
142.07742	1.1
144.08101	1.2
146.09686	1.3
147.11580	1.1
148.07635	1.4
151.11201	1.4
155.08575	1.7
156.08005	1.0
156.09250	1.3
157.10117	1.5
158.09666	1.3
159.08055	1.9
159.11716	1.0
165.07132	2.2
168.08095	5.5
168.09358	1.2
169.08839	5.5
170.09651	1.9
171.09203	1.5
172.07600	2.0
173.06094	1.7
174.09180	1.9
181.10193	2.1
182.06032	1.4
182.09666	4.1
183.08087	1.3
183.10394	9.0
184.06219	1.1
185.06108	1.0
185.10692	2.8
186.11545	2.2
196.07570	5.8
197.08374	14.9
198.09187	1.8
198.12813	8.5
199.08675	11.1
199.12407	1.0
200.13120	1.9
201.05392	1.5
210.09145	1.8
210.11505	1.1
211.07845	2.0
211.09944	21.8
213.10266	18.7
214.10989	6.5
215.07124	0.9
215.15451	4.9
226.12292	43.0
227.08275	2.0
227.11797	23.5
228.12596	33.1
229.04887	1.5
239.07132	1.2
241.09711	2.8
241.13365	1.3
242.10533	2.8
243.06595	1.3
243.14961	29.5
253.13431	5.2
254.11890	1.7
255.11316	24.0
256.12103	26.9
269.12976	1.6
271.06241	6.6
271.09604	2.8
271.14438	100.0
272.14871	1.6
272.25827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80773	0.6
53.03937	1.2
55.01882	5.0
55.05511	1.5
57.03443	3.5
60.05647	1.4
62.97034	0.6
65.03931	3.5
67.05505	2.6
68.99793	10.0
69.07061	3.5
70.06597	9.2
70.42200	2.0
71.05009	1.1
72.08160	2.5
73.02921	32.8
75.04494	2.9
79.05494	1.7
81.03426	1.0
81.07060	2.2
83.08647	1.0
84.04505	1.1
84.08127	1.0
85.02921	1.1
91.05486	5.7
93.03416	2.9
93.07067	1.2
95.04979	2.0
95.08607	1.1
97.06559	1.0
103.05472	2.0
105.07053	1.1
107.04971	2.6
107.08613	1.2
108.02105	1.5
109.02896	0.9
109.06570	0.7
109.10178	1.3
110.03682	5.4
111.00822	0.9
111.04444	4.3
112.08752	1.7
114.09192	0.9
115.05457	1.2
115.08708	1.7
116.07095	3.4
119.04951	3.3
121.06509	1.6
121.76939	0.6
123.04443	2.9
125.05995	39.2
129.07021	1.2
131.04897	1.6
133.06572	0.8
133.79555	0.8
135.08086	1.3
137.05972	6.0
138.06328	3.0
141.05501	1.7
141.06985	3.0
145.06448	1.0
147.04472	1.1
147.06488	3.4
149.02391	0.8
149.05989	3.3
151.03915	100.0
151.05016	7.9
151.07497	5.5
152.04298	1.1
152.06232	1.0
153.02010	0.8
153.07024	2.1
155.04929	3.5
155.08496	1.7
157.06506	3.0
158.09241	3.4
159.04506	1.7
161.05920	1.3
163.07588	3.2
165.07013	9.1
167.07016	1.8
167.10764	0.9
169.06543	3.8
173.05991	7.5
175.07579	1.2
175.11914	0.9
177.05534	0.9
179.07028	22.1
181.06506	2.2
183.04416	2.7
183.08080	2.8
185.05969	1.7
187.03902	2.6
187.07503	0.8
193.06480	1.8
195.06470	0.8
196.05188	0.9
197.06032	7.7
197.08105	19.1
197.09552	0.8
200.08298	0.9
201.05486	6.8
201.83647	0.8
203.07027	3.2
207.04317	1.2
207.06400	0.9
209.08102	1.2
209.13689	3.8
211.07620	3.8
211.09343	0.8
212.12878	1.4
215.06903	3.6
221.05969	1.7
225.05444	3.3
225.07578	4.1
225.09509	1.1
229.04999	9.5
239.07178	1.2
243.06529	5.7
253.04886	3.5
253.10741	3.2
254.15002	1.8
271.06006	37.7
271.09424	5.3
271.12000	15.6
271.17566	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	271.0601
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
53.03943	1.5
55.01867	1.0
65.03947	5.0
67.05505	1.6
68.99441	1.5
68.99794	17.5
69.03430	1.0
69.50948	5.9
79.05486	1.7
81.03413	2.9
81.07060	2.8
85.02939	0.8
91.05490	21.5
92.05814	5.3
93.07015	1.1
95.01319	1.0
97.06531	1.2
98.21491	1.2
103.05467	1.8
105.07027	2.2
105.16331	0.8
106.63584	0.8
107.04955	7.3
109.06566	0.7
111.00783	2.5
112.72187	0.9
115.05452	2.7
117.07009	1.7
119.04962	9.5
119.08610	1.1
120.05278	3.7
121.02866	17.6
121.06518	1.7
123.04464	0.8
125.05965	1.4
128.06219	1.4
129.07027	1.9
131.04945	4.2
131.08534	2.1
133.02866	1.2
133.06523	1.1
134.09662	7.2
135.04387	1.5
135.10004	8.6
137.05994	14.9
138.06320	9.7
141.06999	10.9
144.05739	1.7
145.02838	2.6
145.06485	3.5
147.04410	4.7
147.08043	2.9
147.11693	0.9
149.02354	88.0
150.02977	0.8
151.03864	1.2
151.11174	1.1
152.06247	2.3
153.01842	20.8
153.06969	3.0
155.04938	3.4
155.06046	1.3
157.06470	4.9
159.04451	3.6
159.08014	2.4
161.06010	1.1
165.06985	3.5
167.03481	1.7
168.05826	0.9
169.06494	14.8
173.05988	8.2
175.07533	1.2
179.07014	1.5
181.05095	1.0
181.06424	3.9
183.04408	5.6
185.05981	4.7
187.03920	6.5
187.07573	4.1
197.05998	18.9
198.06720	0.8
200.04732	1.1
201.05492	7.9
203.07019	3.7
207.06494	1.5
210.06732	1.1
211.03893	1.7
211.07605	1.9
213.05449	2.5
215.07043	100.0
216.07367	0.8
225.05464	6.2
226.14403	1.6
227.06998	1.2
229.04980	8.9
234.25572	0.9
235.05986	0.9
235.13264	0.9
243.06544	70.6
244.06877	1.7
253.04932	6.6
253.08582	1.0
271.06033	95.7
271.09430	2.9
271.15225	16.1
272.06360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
50.24119	0.7
53.03923	0.8
55.01859	2.2
56.96569	7.0
57.16891	0.7
62.09266	0.7
65.03923	1.9
67.05518	1.3
68.99794	22.8
69.03412	1.1
69.44428	5.6
70.06586	1.1
71.04966	1.0
73.02924	1.1
74.02442	1.2
79.05481	3.4
81.03382	1.2
81.07037	1.5
83.04967	1.8
83.89166	0.8
84.04482	2.1
85.02882	1.0
88.03957	1.6
89.12891	0.6
91.05486	71.2
92.05801	2.0
93.03395	1.0
93.07022	2.8
95.04973	1.6
96.04486	1.8
97.02873	1.6
97.06513	0.8
99.04390	0.8
100.33813	0.8
102.00392	1.8
103.05474	2.4
105.07047	4.4
107.04927	1.9
108.05727	0.8
109.02856	1.6
109.10144	0.9
109.99175	1.4
110.97572	2.1
111.00798	2.3
115.05460	3.5
117.07034	2.5
119.04935	4.3
119.08582	1.5
120.01450	2.9
121.06479	1.7
121.10134	1.1
123.04427	1.5
123.08067	2.1
127.00056	1.6
127.03860	1.2
127.11274	0.9
128.00208	1.6
128.06230	1.0
128.98582	1.6
129.06972	3.2
129.13994	0.9
131.04915	3.3
131.08510	1.0
133.06493	2.4
134.04480	3.1
135.04407	1.1
135.08069	1.6
137.06000	6.5
141.07005	8.0
142.04930	1.2
144.05777	1.0
145.00621	0.8
145.06473	2.8
147.04390	2.8
147.08034	1.9
149.02316	1.2
149.05946	2.2
151.03874	1.9
151.07539	3.4
153.05435	5.6
153.06952	2.1
155.04901	7.6
157.06500	6.1
159.04411	6.6
161.05992	3.1
163.03891	1.3
163.07533	1.6
165.06958	1.5
165.09123	0.8
166.67148	0.7
169.06500	9.6
173.05997	20.4
175.03873	0.8
175.07553	2.6
176.05563	2.4
177.05447	6.2
177.08997	0.9
179.07063	10.5
181.06554	1.8
181.08438	0.9
183.04437	10.3
185.05946	4.6
187.03825	11.5
187.07536	3.3
190.06221	1.0
191.03844	1.5
191.07019	1.3
192.03333	1.7
194.06621	6.0
195.06581	1.1
197.06000	19.0
197.07849	1.2
200.04655	1.0
201.05478	22.0
202.06236	0.9
203.03798	1.4
203.07011	10.9
204.03360	0.9
205.08540	2.2
207.06560	9.4
208.01265	1.3
210.04468	1.0
211.02765	1.4
212.07649	2.8
215.07033	12.9
223.09679	7.1
225.05473	11.5
225.07497	2.0
228.03297	2.0
229.04996	21.1
235.09636	5.8
243.06517	19.1
246.04416	18.1
248.07629	3.4
253.05000	8.3
253.10706	3.4
264.05466	9.4
265.05737	1.0
266.08771	14.6
271.06003	100.0
271.16879	2.4
272.06354	1.8
290.03391	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	270.1489
Annotation	Mepronil
Peak:m/z	Relative Intensity
51.87202	0.6
57.03424	0.8
60.46210	0.5
63.36685	0.6
65.03936	2.4
67.05485	0.7
68.99794	2.5
69.69186	3.3
71.05013	0.7
79.05522	1.1
81.07063	1.8
84.55138	0.6
88.53013	0.6
90.72860	0.8
91.05485	58.3
95.06073	0.9
95.34665	0.6
98.20763	1.1
109.02885	0.8
109.06529	3.2
117.07031	1.1
118.06524	3.1
119.04948	28.8
119.07271	3.6
121.02889	0.7
121.06551	0.6
128.06216	0.6
134.09659	74.9
135.09952	0.7
137.05981	100.0
138.06290	0.7
149.02350	3.9
149.03392	0.5
149.92046	0.6
153.06982	0.7
155.04942	0.8
157.06508	1.1
169.06505	1.5
173.05994	2.0
183.04463	1.3
187.03856	0.9
187.43690	0.7
197.05986	2.6
201.05501	1.8
203.07101	1.4
215.07103	3.8
225.05441	0.7
226.18004	1.1
229.04936	2.8
243.06520	3.2
247.11830	0.7
253.04935	0.8
270.14890	69.5
271.05969	10.7
271.08981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	2.8
55.01860	4.5
55.05274	1.4
55.05517	21.9
57.03441	33.6
57.07061	4.6
65.03938	2.7
67.05510	75.5
69.06728	2.1
69.07070	25.1
70.05862	6.1
71.05015	6.6
72.92517	1.2
79.05500	50.9
80.15739	1.4
81.03398	2.6
81.07062	100.0
83.04993	13.4
83.08628	21.4
84.03803	1.5
85.06530	4.9
87.41831	1.3
91.05492	23.7
93.07050	68.1
95.04977	6.2
95.08606	24.8
97.06541	16.3
99.08086	3.4
105.04526	1.9
105.07044	8.0
107.08600	35.8
109.06554	3.5
109.10143	4.3
111.08094	7.9
111.11716	1.5
113.06022	1.4
113.09702	1.4
117.07026	9.0
119.08559	3.5
121.06498	3.2
121.10161	18.9
123.08095	1.5
123.11686	3.3
129.06837	1.4
131.08566	12.2
133.10129	13.4
135.08049	1.8
135.11720	12.0
136.11517	1.4
139.11130	1.8
143.08577	1.7
147.11708	2.0
149.13271	40.9
159.11717	14.9
167.14352	2.0
177.12758	7.9
195.13814	16.9
250.66351	1.3
269.17474	55.5
269.26779	3.4
270.17630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	5.5
55.01860	4.3
55.05268	1.8
55.05516	21.1
57.03164	2.0
57.03442	38.8
57.07065	4.6
65.03936	2.6
67.05509	85.4
69.06725	1.9
69.07071	25.0
71.04996	6.4
79.05499	50.7
81.03389	2.6
81.07063	100.0
83.04556	1.6
83.04993	17.0
83.08620	18.3
85.06570	6.8
91.05490	31.1
93.07050	67.5
95.04983	7.5
95.08068	1.9
95.08620	24.6
97.06536	13.5
97.10178	1.6
98.21592	3.9
99.08090	4.6
105.04541	1.3
105.07053	11.5
107.08605	35.8
109.06510	4.3
109.10138	3.7
111.08080	7.6
117.07012	11.1
119.08574	3.6
121.09341	1.8
121.10154	21.6
123.11689	4.1
123.99493	1.2
125.09693	1.4
129.12659	1.2
131.08583	13.0
133.10175	10.2
135.11691	11.4
139.11217	1.4
147.11659	2.2
149.13266	39.2
151.11247	1.5
156.70015	1.3
159.11702	20.1
169.74582	1.3
177.12761	8.0
195.13777	13.2
213.14862	1.3
229.64035	1.7
253.18704	1.4
259.48761	1.3
269.17480	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	4.0
55.01873	4.3
55.05513	24.3
57.03441	37.0
57.07076	3.0
60.15155	1.7
65.03937	2.3
67.05509	84.8
69.06689	1.8
69.07072	30.4
69.23992	15.8
71.04993	5.9
73.02912	1.5
79.05495	53.5
81.03419	2.3
81.07061	100.0
83.04992	11.4
83.08623	20.0
85.06542	7.3
91.05481	24.4
93.07049	74.1
94.10551	1.9
95.04974	8.3
95.08623	27.6
97.06535	17.6
97.10183	3.0
99.08102	3.4
105.07027	12.2
107.08601	38.5
109.06522	4.4
109.10170	4.6
111.08073	7.7
117.07044	10.5
119.08607	2.3
121.06537	1.9
121.10147	18.2
123.11714	2.2
131.08583	13.6
133.10129	12.7
135.11720	10.9
139.11253	2.0
146.56770	1.5
147.11700	1.9
149.13258	42.0
159.11725	21.5
177.12749	8.4
195.13776	12.7
201.50191	1.9
219.04782	1.8
231.39938	1.6
269.17484	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	4.8
53.34159	1.3
55.01882	2.0
55.05515	21.0
57.03441	36.2
57.07077	3.1
57.42914	1.3
58.61341	1.4
59.86778	1.2
64.35994	1.4
65.03970	1.6
67.05511	83.2
69.03436	1.6
69.07073	30.2
69.07420	2.5
70.69923	1.3
71.04993	6.0
71.06193	3.2
73.02921	1.4
77.65428	1.6
79.05499	43.9
81.07065	100.0
83.04987	9.5
83.08624	19.9
85.02917	1.5
85.06556	4.9
89.14173	1.3
91.05490	23.0
93.07052	67.1
95.04959	5.4
95.08620	25.6
97.06535	15.4
97.10157	2.1
99.08114	4.2
105.04586	1.7
105.07034	9.0
107.08611	36.4
109.06528	3.5
109.10178	5.5
111.08132	8.5
113.09652	1.6
117.07036	10.0
119.08568	3.1
121.06488	2.3
121.10168	26.6
123.11716	3.7
131.08542	8.7
133.10161	10.5
135.08096	1.6
135.11691	13.2
139.11194	2.0
147.11746	2.6
149.09648	1.9
149.13272	50.7
159.11702	21.4
167.14284	1.8
177.12778	12.1
195.13777	9.6
226.80508	1.6
269.07919	2.4
269.17480	42.4
269.22159	1.8
271.52029	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03961	4.0
55.01873	2.8
55.05267	1.4
55.05517	19.9
55.05788	1.0
57.03442	36.8
57.07076	5.0
65.03957	2.7
67.05509	81.4
69.07075	34.2
70.52791	2.5
71.01354	1.1
71.05010	6.4
79.05498	49.4
81.03428	2.5
81.07063	100.0
83.04994	10.8
83.08626	19.4
85.02861	0.8
85.06555	6.8
91.05493	25.6
93.07050	74.0
95.04977	5.7
95.08615	23.5
97.06538	16.9
97.10176	2.2
99.08114	3.9
105.04517	1.8
105.07023	7.4
107.05006	0.9
107.08604	40.2
109.06541	3.8
109.10170	4.1
111.08088	9.8
111.11709	1.4
113.06035	1.0
113.09692	1.4
117.07040	7.8
119.08603	3.3
121.06550	1.8
121.10158	24.5
123.08031	1.1
123.11706	2.9
125.05978	1.0
127.07638	0.9
128.38962	0.7
131.08575	10.2
133.10164	7.7
135.08061	2.9
135.11707	10.3
139.11220	2.7
147.11708	2.5
149.13269	57.0
153.09097	0.8
159.11702	20.0
167.14389	1.4
177.12772	10.0
180.84906	0.7
195.13831	13.3
213.14905	1.5
269.08221	1.0
269.17496	40.8
270.17615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.91776	1.5
53.03935	4.6
53.67867	1.3
55.01868	2.9
55.05513	20.1
57.03442	31.8
57.07066	4.8
62.02175	1.3
65.03923	3.4
67.05513	80.2
69.03394	1.4
69.06735	2.1
69.07076	31.7
70.64341	4.4
71.04988	6.5
71.08600	1.5
79.05499	49.6
80.43053	1.5
81.03396	3.4
81.07064	100.0
83.05000	9.5
83.08624	22.1
85.06529	6.6
91.05489	28.6
93.07051	72.2
93.07643	3.3
95.04961	6.0
95.08055	2.4
95.08615	27.7
97.06551	16.1
97.10168	1.7
99.08087	3.6
105.04580	1.6
105.07037	13.7
107.08607	37.5
109.06509	3.0
109.10153	7.4
111.08064	9.6
117.07032	13.6
119.08567	2.7
120.36110	1.5
121.06495	2.4
121.10143	27.5
122.69585	1.5
123.11694	6.5
131.08578	16.3
133.10161	14.4
135.08028	3.3
135.11702	15.7
142.81073	1.3
149.09628	11.3
149.12048	2.2
149.13263	41.3
159.11714	22.1
174.98303	1.4
177.09151	3.5
177.12785	13.0
195.13850	14.0
209.11696	3.9
232.16678	1.6
269.17484	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	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
51.91789	1.4
53.03945	4.7
55.01861	4.2
55.05513	24.5
57.03442	33.8
57.07074	3.5
61.46094	1.3
65.03941	2.9
65.39833	1.5
67.05510	85.5
69.07072	31.3
71.04989	7.0
71.24797	3.0
79.05495	55.6
81.03405	1.8
81.07062	100.0
83.04988	10.3
83.08620	20.3
85.06544	6.3
91.05488	31.6
93.07052	73.1
95.04973	6.5
95.08612	23.7
97.06541	20.5
97.10173	1.5
99.08076	4.8
105.04538	2.0
105.07033	10.9
107.01226	1.3
107.08601	35.3
107.13846	1.4
109.06548	4.1
109.10166	4.6
111.08089	8.1
117.07030	14.0
119.08582	3.0
120.70202	1.5
121.06525	3.0
121.10146	18.3
123.11707	4.2
131.08595	13.9
133.10143	16.2
135.08064	2.4
135.11714	12.5
138.02708	1.5
147.11673	2.7
149.09642	2.7
149.13269	42.0
151.11160	2.7
159.11697	25.8
177.12766	9.9
195.13837	16.7
213.14818	1.7
269.17502	52.4
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	Unknow
Peak:m/z	Relative Intensity
51.85107	1.4
53.03946	2.6
55.01867	3.5
55.05517	24.5
57.03441	33.2
57.07075	3.0
65.03951	2.1
65.64467	1.3
67.05512	76.3
69.07076	23.9
70.24547	5.5
71.04987	4.6
71.52377	1.2
77.03917	1.9
79.05500	43.6
81.03440	2.6
81.07064	100.0
83.04983	8.4
83.08616	17.6
85.06546	5.8
91.05492	25.4
93.07053	65.7
95.04987	4.2
95.08610	22.6
97.06536	13.1
98.21455	1.7
99.08092	4.6
105.07039	9.3
107.07887	2.2
107.08606	35.7
109.06540	3.8
109.10161	3.5
111.08073	7.3
117.07027	11.7
119.08583	3.5
121.10156	18.7
123.11727	4.8
125.09643	1.8
131.08591	12.2
133.10152	11.1
135.11725	8.9
139.07578	1.5
147.11702	1.5
149.13278	35.2
151.11185	1.3
157.10303	1.5
159.11702	20.8
169.69727	1.3
177.12752	9.3
195.13824	14.5
231.02682	1.4
269.17480	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	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
53.03933	4.2
55.01854	3.5
55.05263	1.9
55.05510	20.7
55.63695	1.5
57.03439	36.3
57.07071	3.6
65.03923	3.8
67.05508	90.0
69.06744	1.6
69.07072	27.8
69.69657	7.4
71.04996	7.4
74.13995	1.5
79.05495	58.1
81.03408	1.8
81.07059	100.0
83.04990	10.6
83.08617	20.2
85.06525	6.7
85.51483	1.6
91.05484	29.5
93.07046	72.6
95.04972	7.0
95.08054	2.3
95.08608	27.9
97.06536	16.6
97.10143	2.6
97.38171	1.5
99.08050	4.9
99.89661	1.6
105.06512	1.3
105.07045	12.5
107.08600	40.0
109.06488	3.3
109.10117	4.4
111.08102	9.9
117.07023	13.7
119.08544	4.8
121.10160	21.0
123.11716	4.4
124.05024	1.5
129.07045	1.8
131.08559	12.1
133.10126	16.8
135.08022	1.5
135.11697	10.0
147.11636	2.3
149.09575	2.3
149.13261	48.6
151.11116	2.6
159.10463	2.4
159.11707	26.3
167.14362	2.6
173.13173	2.5
177.12738	12.8
179.14282	1.5
195.13811	14.6
269.07965	4.4
269.17413	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52174	1.3
52.81106	1.3
53.03932	4.3
55.01865	3.0
55.05512	24.1
55.49223	1.3
57.03443	32.6
57.07048	2.4
64.72052	1.3
65.03940	2.1
67.05508	72.2
69.03422	1.4
69.06732	2.0
69.07073	26.7
69.57933	7.2
71.04980	5.2
77.03900	1.2
79.05497	52.7
81.03403	2.7
81.07060	100.0
83.04990	9.1
83.08630	19.3
85.06529	6.2
91.05489	28.5
93.07046	65.7
95.04980	6.5
95.08075	1.8
95.08617	24.8
97.06537	16.0
97.10114	1.6
99.08083	4.8
105.04508	1.8
105.07024	11.4
107.08601	29.4
109.06532	3.3
109.10148	5.5
111.08078	7.2
117.07036	12.1
119.08571	4.2
121.06460	1.7
121.10146	20.4
123.11685	4.5
131.08582	13.0
133.10109	12.6
135.08067	2.1
135.11713	12.2
149.13268	41.9
151.11214	1.6
159.10469	1.7
159.11705	21.3
161.13152	1.3
177.12733	9.8
195.12444	1.4
195.13850	13.2
210.37814	1.4
226.81357	1.4
269.17459	50.7
269.22089	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03948	4.8
55.01863	2.7
55.05516	20.5
55.93527	3.0
56.94309	3.5
57.03442	33.2
57.07076	3.9
65.03934	3.4
67.05509	88.0
69.07079	30.4
69.19952	11.5
69.20354	4.2
70.95851	3.9
71.04993	5.2
72.93787	7.2
77.74587	1.6
79.05496	43.2
81.03425	3.1
81.07063	100.0
83.04987	11.8
83.08620	16.6
85.06554	8.8
90.94823	3.8
91.05495	24.0
93.07048	77.6
95.04970	4.0
95.08614	28.1
97.06554	14.1
97.10161	2.2
99.08092	4.7
105.07035	11.6
107.08601	40.0
109.06510	2.8
109.10143	3.4
111.08083	9.3
113.09637	2.1
113.51616	1.6
117.07016	10.8
119.08562	3.8
121.06463	1.9
121.10133	22.6
123.11726	3.1
128.96379	1.7
131.08571	9.5
133.10130	12.4
135.08072	1.8
135.11684	10.3
139.11176	2.6
143.13499	1.6
144.99503	2.1
147.11682	2.5
149.09708	1.8
149.13268	42.5
151.02081	2.7
151.11250	2.0
155.43498	1.6
157.10236	1.7
159.11716	20.0
161.13277	1.7
168.99329	1.5
177.12790	11.8
195.13791	12.7
199.02075	2.3
199.11832	1.5
201.03598	4.9
203.05106	1.7
224.72629	1.8
226.06285	2.0
251.07335	15.4
257.08276	2.0
269.08246	29.4
269.17459	43.5
269.22150	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
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
51.05038	1.5
53.03950	3.2
53.15588	1.3
55.01863	3.7
55.05514	22.4
57.03445	31.4
57.07059	2.6
65.03913	4.0
67.05510	86.1
69.03416	1.6
69.07072	29.5
69.86913	1.5
70.90325	2.5
70.90643	2.7
71.04968	5.2
79.05498	51.0
81.03404	3.2
81.07063	100.0
83.04984	11.1
83.08629	21.4
84.79333	1.3
85.06519	6.6
88.38925	1.3
89.82053	1.4
91.05492	25.3
92.05790	1.6
93.07049	75.4
94.07409	1.6
95.04936	5.0
95.08610	23.7
97.06549	15.9
97.10139	2.5
99.08069	2.5
105.07050	13.2
107.08602	40.4
109.06512	3.5
109.10146	4.7
111.08093	9.7
113.09610	1.9
117.07022	14.2
119.08549	4.8
121.10149	21.7
123.08041	2.8
123.11661	4.0
131.08577	14.2
133.10159	14.2
135.08054	2.3
135.11708	12.7
149.13275	43.5
151.11139	1.9
157.10135	2.8
159.11714	20.6
171.11646	2.3
177.12791	10.5
195.13866	11.1
209.13266	1.7
213.14783	2.1
234.43394	1.5
246.01680	1.4
257.58716	1.8
269.17407	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.74372	1.5
53.03936	3.6
55.01870	3.2
55.05514	22.0
57.03190	1.6
57.03443	36.4
57.07085	2.7
65.03959	3.3
65.04308	1.9
67.05510	77.2
69.07067	31.3
70.79581	5.4
71.04989	5.3
78.41277	1.9
78.46814	1.9
79.05501	46.1
79.89147	1.8
81.07063	100.0
83.04966	8.8
83.08623	20.4
85.06548	5.5
91.05481	25.3
93.07050	69.9
95.04974	5.8
95.08617	25.4
95.74310	1.8
97.06551	18.0
99.08087	3.5
105.07003	10.3
107.08614	33.9
109.06544	4.0
109.10149	4.9
111.08072	8.8
117.07033	7.8
119.08602	3.0
121.10146	24.9
123.11690	2.3
131.08574	11.6
133.10152	8.0
135.08090	2.2
135.11676	10.2
139.11174	2.4
149.13274	46.4
159.11720	20.3
167.14253	2.3
177.12752	10.0
195.13841	10.4
196.19385	1.6
226.06270	7.5
231.05774	2.0
254.05659	4.9
263.91885	1.8
269.08087	23.0
269.17462	36.2
269.22491	2.5
272.21344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1386
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.03947	2.5
55.01860	3.0
55.05519	11.9
55.14888	1.0
57.03199	1.5
57.03440	19.3
57.07084	1.7
65.03932	2.4
65.64355	1.0
67.05511	51.6
69.07069	17.5
71.04993	5.3
71.51138	1.4
75.04485	1.6
79.05495	31.1
81.07063	69.9
83.04983	6.3
83.08628	13.3
85.06557	5.2
91.05486	32.7
92.06266	2.5
93.03433	1.7
93.07051	47.8
93.07643	2.3
95.04971	6.9
95.08613	20.5
97.06531	14.9
97.10155	1.7
99.08102	2.5
103.05475	8.3
105.03378	2.3
105.07037	15.5
107.04945	7.8
107.08592	19.1
109.02859	1.0
109.06509	3.4
109.10155	4.6
111.04371	1.0
111.08078	6.6
113.06025	1.1
115.05453	3.8
117.07024	11.4
118.04152	1.4
119.04929	6.1
119.08572	3.2
120.05739	7.8
121.06517	2.6
121.10143	8.6
123.04427	1.2
123.08057	1.4
123.11719	3.5
125.09621	2.1
131.04929	4.8
131.08574	13.5
133.02798	1.5
133.06487	3.9
133.10141	12.3
134.07251	2.3
135.08055	10.3
135.11710	12.0
137.05974	5.8
137.09648	1.2
139.03922	6.1
147.04449	15.7
148.05205	7.2
149.05965	4.4
149.13268	24.0
151.03925	1.8
151.11156	2.1
153.05515	1.4
154.06258	28.6
159.11717	24.4
161.05984	2.2
161.13248	2.3
162.06749	2.4
163.07565	28.4
163.08873	0.8
165.05498	13.1
167.07066	1.2
177.12770	12.2
179.08846	1.3
179.14264	1.7
180.07823	100.0
181.08269	1.3
193.08626	8.0
195.10188	65.2
195.13771	9.6
213.11208	1.9
251.16512	2.3
269.08041	2.7
269.17487	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	269.1022
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03936	4.2
55.01882	11.0
55.05505	4.4
57.03434	11.0
65.03945	3.0
67.05505	9.1
68.99772	2.0
69.03421	4.0
69.07060	4.6
70.40659	1.4
70.56574	4.0
71.04983	2.1
75.72711	1.6
79.05494	21.1
81.03420	3.4
81.07054	17.2
83.01326	4.4
83.04984	6.1
83.08624	1.6
85.02906	1.7
91.05489	26.1
93.07037	12.0
95.01297	1.6
95.04974	7.5
95.08617	7.1
97.06554	2.1
103.05461	4.7
104.79356	1.6
105.07037	17.8
107.04959	14.0
107.08594	5.6
109.02895	2.4
109.06529	15.8
109.10224	2.0
111.08088	1.6
115.05437	9.7
117.07020	15.0
119.04939	7.0
119.08577	7.9
121.02898	2.4
121.06546	8.5
121.10133	2.7
123.08066	2.0
125.05982	3.1
127.05447	1.6
129.07043	2.4
131.04942	3.1
131.08545	3.7
133.06499	6.2
133.10118	2.8
135.04408	10.8
135.08086	8.4
137.05960	18.8
143.08603	2.9
145.06476	12.6
145.10112	3.3
147.04399	3.8
147.08020	3.3
147.11736	1.9
149.05991	9.3
151.07585	2.8
153.05492	3.5
155.03377	1.8
157.10170	3.7
159.04413	2.5
159.11707	3.0
161.06046	2.2
161.09583	2.0
163.03923	4.1
163.07565	35.4
165.05507	7.7
171.11763	2.5
173.05978	9.4
173.13272	3.0
174.06763	1.7
175.07610	3.8
175.14738	1.7
177.05466	19.4
179.06989	3.1
181.08737	1.7
185.13268	3.4
187.14861	2.5
189.05492	3.6
191.07043	70.3
195.06476	3.1
199.14850	3.1
201.05447	9.5
205.08611	2.4
209.08102	16.6
210.70316	1.4
213.16562	2.5
219.06541	55.2
223.09615	1.5
237.07576	25.2
251.09148	100.0
255.08665	26.8
269.07779	1.5
269.10379	6.8
269.22626	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9464
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40965	28.6
89.27599	8.5
94.93058	11.4
104.59252	9.1
125.63605	8.7
134.96121	28.6
157.57571	9.0
164.93546	52.8
173.97090	10.3
178.95078	18.9
203.03076	9.8
235.12865	9.6
249.77400	10.2
250.93619	17.4
268.94629	100.0
271.81064	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	269.1023
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03952	3.0
55.01881	9.8
55.05514	3.6
57.03441	13.0
65.03937	2.6
67.01863	2.7
67.05508	9.1
67.05803	1.6
67.94186	1.7
69.03433	3.7
69.07075	3.9
71.04998	2.5
71.50726	3.3
73.02905	1.9
79.05485	16.4
81.03407	6.0
81.07056	17.4
83.01312	2.5
83.04975	5.1
84.08126	1.9
85.02912	2.7
86.91320	1.8
91.05486	30.2
93.03381	3.1
93.07065	14.6
94.04162	2.0
94.06564	2.2
95.01332	3.8
95.04987	9.5
95.08583	4.4
97.02884	2.1
97.06532	3.8
99.04448	2.3
103.05476	9.8
105.03419	1.8
105.04521	2.0
105.07051	17.8
107.04964	14.5
107.08591	5.8
109.02949	3.6
109.06526	13.3
109.10168	3.1
110.03511	1.7
111.08067	2.3
114.89928	1.7
115.05452	12.0
117.07035	19.5
118.55151	1.8
119.04946	5.9
119.08560	8.7
121.02855	3.5
121.06519	9.4
122.06017	3.6
123.00782	5.6
123.04436	4.1
123.08089	4.9
125.06032	3.3
129.06902	2.5
131.04900	6.5
131.08527	2.9
132.06575	1.9
133.02858	2.7
133.06509	7.1
133.10146	3.1
135.03011	3.1
135.04460	11.5
135.08055	9.0
137.05952	13.8
143.08539	2.3
145.06485	25.2
145.10095	2.7
146.07176	1.9
147.04417	5.3
147.08052	8.6
147.11650	1.7
149.06026	8.4
151.03922	2.8
151.07596	4.1
151.11185	7.2
152.05704	40.2
153.04012	3.4
153.06136	30.2
154.04440	3.7
159.04474	2.3
161.05977	2.0
161.09653	3.2
162.06819	2.4
163.03918	6.9
163.07558	37.5
165.05489	13.3
167.06989	2.8
168.54903	1.8
173.05984	18.8
175.07544	6.3
177.05478	22.7
177.09030	2.1
179.03429	1.7
179.07048	5.5
181.08566	2.6
187.11153	3.2
191.07040	74.0
192.07654	1.9
195.06541	2.4
199.37830	1.8
201.05470	16.6
205.08598	3.9
209.08113	18.9
215.10687	2.7
219.06535	44.2
223.09651	6.0
233.08066	3.5
233.11736	9.1
234.12103	2.3
237.07581	26.8
251.09166	100.0
251.12773	16.0
255.08688	8.1
269.04434	4.7
269.10513	10.0
269.14523	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	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20590	0.3
55.01867	0.9
55.05502	1.2
56.05031	0.7
58.06577	0.3
69.07066	1.4
70.06596	0.5
70.29346	0.9
72.04514	2.0
73.02898	1.1
74.06077	0.3
79.05500	1.4
79.05862	0.3
80.05022	0.5
81.03397	0.4
81.07069	1.3
82.06600	0.3
90.05531	0.3
91.05467	1.1
93.07052	2.9
94.06557	1.4
95.08595	1.4
96.08127	0.8
97.06532	1.0
100.03956	0.6
102.05511	0.7
105.07002	0.4
107.08626	1.7
108.08115	10.2
109.08881	1.0
109.10157	0.5
110.09673	0.9
119.08593	0.4
121.02837	0.3
121.09010	0.3
121.10059	0.4
122.09676	9.2
123.10448	1.4
124.03971	0.8
124.11266	0.9
127.21240	0.3
133.10123	0.4
134.09679	0.3
135.11716	2.5
136.06155	0.8
136.11240	4.4
137.05937	0.8
137.13240	0.4
142.08673	0.3
150.12785	19.5
151.13562	9.1
152.07045	2.8
152.14333	0.6
153.12758	0.3
154.08601	0.4
156.10196	0.4
161.13301	0.3
166.08597	0.6
166.12167	0.4
167.09459	0.4
170.08116	0.9
170.11842	0.6
178.15909	4.6
180.10168	1.6
182.11757	1.0
194.11746	3.0
195.12560	0.8
196.13382	0.5
222.14880	1.1
224.16458	100.0
225.16768	1.2
226.18034	2.9
233.11700	0.6
251.12764	0.6
268.19080	52.8
269.19373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98960	0.4
55.01874	1.1
55.05518	1.2
56.05031	0.7
58.06601	0.5
61.72583	0.3
63.66382	0.4
64.82249	0.4
64.88665	0.3
67.08517	0.3
69.07072	2.2
69.64048	0.3
70.06595	0.6
71.06104	0.7
72.04522	2.5
72.18906	0.3
73.02919	2.1
74.06086	0.6
79.05505	1.3
80.05010	0.4
81.07074	1.3
82.06557	0.6
83.08618	0.5
87.57215	0.3
91.05496	1.1
93.05869	0.3
93.07045	3.3
94.06571	1.2
95.08602	1.4
96.08144	0.4
97.06542	1.4
100.03973	0.7
102.05552	0.7
105.07054	0.8
107.08604	2.1
108.08127	12.0
109.08905	0.8
110.09683	1.5
119.04973	0.7
121.06503	0.4
122.09675	9.1
123.10454	1.3
124.03976	1.1
124.11232	1.7
128.07141	0.4
135.11714	2.2
136.06213	1.0
136.11229	4.0
137.05989	2.1
137.13251	0.6
140.07068	0.6
142.08688	0.3
150.09131	0.5
150.12793	20.6
151.13579	8.6
152.07098	1.2
153.12772	0.5
156.10185	0.8
166.08809	0.5
166.12273	0.5
167.09441	0.5
168.10362	0.4
170.11815	1.4
178.15894	4.4
179.14337	0.4
180.10228	1.3
182.11801	1.9
194.11804	3.5
195.12561	1.2
196.13353	0.4
198.66629	0.3
206.11562	0.4
217.97443	0.3
222.14960	1.8
224.16470	100.0
225.16776	1.5
226.18031	4.8
233.11754	1.0
251.12766	1.3
263.61237	0.4
268.19086	51.4
269.19403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.68147	0.2
53.64129	0.2
55.01862	0.4
57.03438	0.4
64.81971	0.2
69.03423	0.4
71.01338	0.2
71.20352	0.3
71.20679	0.3
73.02916	0.2
85.02913	0.3
87.22191	0.2
115.03922	0.2
119.03544	1.3
121.06512	0.4
136.06198	100.0
137.04637	0.4
137.06554	0.3
141.82368	0.2
152.63832	0.2
177.07855	0.4
206.11786	1.5
250.14413	0.3
268.10416	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	268.1545
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
55.25241	0.4
57.93410	0.3
64.61723	0.3
69.20267	3.5
74.02419	0.8
75.97490	0.3
84.08153	2.5
88.03982	1.7
98.21519	0.7
107.04322	0.4
107.04977	5.6
108.98878	0.4
115.05454	0.4
116.03416	0.5
123.04408	0.4
128.06210	0.5
129.84796	0.3
131.04858	0.5
131.08578	0.5
134.04510	2.0
136.06180	1.7
137.05965	0.7
143.08575	2.6
145.06508	0.5
147.04411	0.5
148.05290	0.4
149.06009	0.7
159.08044	1.0
160.05206	1.5
160.07588	0.3
160.11234	1.3
161.06013	2.3
162.05499	1.3
163.03937	1.1
164.07092	3.3
171.08080	2.3
176.07079	0.7
177.07860	24.3
178.08592	0.4
188.10703	2.1
189.09129	2.6
201.26726	0.3
204.10228	0.8
206.11775	100.0
207.12148	1.0
217.02254	0.3
221.55199	0.4
240.67371	0.4
250.14401	16.7
268.15457	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	267.1594
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.48213	0.6
52.66427	0.6
53.03960	4.4
55.01876	6.1
55.05515	7.1
57.03442	22.0
60.04530	0.7
65.03940	1.2
66.22485	0.7
66.56438	0.5
67.05511	15.6
69.03433	2.7
69.07069	3.4
69.80254	3.0
70.02966	0.6
71.04995	2.3
71.14558	0.6
71.15673	0.5
73.02934	2.0
73.71399	0.6
79.05500	15.4
80.95398	0.6
81.03423	100.0
81.07061	13.7
83.04981	6.9
83.08624	15.1
85.02921	1.4
85.06548	1.4
88.03980	2.8
89.04328	0.8
91.05488	22.5
92.05811	2.3
93.07053	10.6
95.04975	22.3
95.08601	6.4
97.02906	3.0
97.06544	2.7
97.10160	1.6
98.97626	0.8
98.98498	0.7
99.08057	0.6
101.02381	2.5
102.05540	3.9
103.05901	1.7
105.07038	15.3
107.04955	5.1
107.08612	6.2
108.08170	0.7
109.06517	6.6
109.10174	2.3
111.04452	2.1
111.08086	7.5
115.05469	1.7
116.06213	0.6
117.07012	1.4
119.04947	1.2
119.08597	13.5
121.06487	3.8
121.10161	5.4
123.04439	0.9
123.08040	3.2
123.11693	0.9
124.41735	0.6
125.09653	1.2
126.09213	0.8
127.07572	0.8
128.06171	0.8
129.07021	8.4
129.09070	0.5
131.08562	8.3
133.06519	3.0
133.10133	5.8
135.04459	0.7
135.08098	0.8
135.11732	1.1
137.06009	1.0
137.09613	2.0
141.07027	0.6
142.07736	3.3
143.08574	0.9
145.10121	2.5
147.08075	2.9
147.11676	10.0
148.06075	1.9
149.06393	0.7
149.09645	10.2
151.03903	2.1
151.07678	0.6
157.10135	9.3
159.11699	0.6
160.05032	0.6
161.09628	1.8
163.11177	1.8
165.05472	3.5
165.12715	3.0
167.10626	0.7
175.11195	11.7
177.05479	0.7
185.09665	1.7
185.13248	0.7
187.11211	0.6
189.09125	2.4
189.12695	0.6
193.04919	1.3
193.08604	1.0
193.12259	18.6
196.09769	0.9
197.10046	1.2
203.10684	5.5
205.12234	0.8
207.10204	2.0
211.06013	1.2
211.13297	3.9
213.12610	0.7
221.11758	2.4
223.13283	0.9
231.10201	3.4
231.13794	1.1
249.11253	2.1
249.14833	1.8
267.12372	5.7
267.15900	46.6
268.16309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03946	4.3
54.02308	0.7
55.01870	2.1
55.05511	6.9
57.03438	18.7
57.03711	1.2
65.03935	0.7
66.35369	0.6
67.05508	14.6
69.03432	2.9
69.07065	3.9
70.56741	1.6
70.57074	0.7
71.04986	1.9
79.05491	12.9
80.44764	0.6
81.03421	100.0
81.07057	13.3
83.04990	5.6
83.08624	13.9
85.06523	0.7
91.04913	0.7
91.05487	18.9
93.07046	7.3
95.04972	21.8
95.08607	4.8
97.02917	1.8
97.06547	2.1
97.10169	1.6
105.07039	14.3
107.04973	4.7
107.08607	3.8
109.06516	3.7
109.10165	1.2
111.04468	1.7
111.08082	5.3
117.07017	1.8
119.04911	0.8
119.08588	11.6
121.06532	2.7
121.10152	4.5
123.08090	1.8
123.11687	0.9
125.58636	0.6
128.06210	0.8
129.07007	6.9
131.08554	7.3
133.06502	2.2
133.10152	3.4
135.11667	0.7
137.09583	1.2
142.07771	2.0
145.10147	1.2
147.08063	2.3
147.11688	8.8
149.09636	3.9
157.10153	9.2
163.11215	1.1
165.12730	2.9
175.11198	9.4
184.42479	0.6
193.12242	16.8
205.12321	0.7
211.13309	2.5
249.14940	1.5
267.15903	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.13337	0.7
53.03936	3.5
55.01862	1.9
55.05513	5.6
57.03440	19.3
60.53351	0.8
67.05508	12.1
69.03421	1.8
69.07060	1.8
69.28915	3.6
69.29337	2.9
71.04992	1.8
76.23105	0.7
79.05495	11.4
80.78765	0.7
81.03421	100.0
81.07056	12.9
83.04986	5.9
83.08160	0.9
83.08619	13.6
89.00540	0.7
91.04913	0.9
91.05478	15.8
93.07054	7.1
95.04971	23.1
95.08620	5.1
97.02892	1.5
97.06538	1.5
97.10159	1.2
98.21581	1.3
105.07043	13.7
107.04949	4.8
107.08596	3.0
109.06524	3.0
109.10115	1.1
111.04465	1.3
111.08094	5.6
115.05429	1.2
115.30729	0.9
117.06985	2.0
119.04989	1.2
119.08590	12.7
121.06538	1.9
121.10131	3.7
123.08054	1.8
128.06236	1.0
129.07011	7.9
131.08580	8.1
133.06494	3.6
133.10135	3.4
137.09644	1.6
142.07788	1.4
145.10081	1.9
147.08060	2.0
147.11684	8.6
149.09615	4.7
157.10127	10.4
163.11168	1.1
165.12717	1.9
172.71764	1.0
175.11201	8.8
185.13245	0.8
193.12250	20.3
211.13321	1.4
233.22620	0.8
267.15927	44.4
268.16318	0.7
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	Alliacolide
Peak:m/z	Relative Intensity
53.03950	4.4
55.01851	2.2
55.05508	6.5
56.36881	0.9
57.03439	20.5
57.64949	0.8
60.12631	0.8
62.12745	0.8
64.51759	0.8
67.05505	13.7
67.26820	0.8
69.03407	1.8
69.07056	2.9
69.25262	8.1
71.04980	0.9
72.54716	1.0
79.05492	11.9
81.03419	100.0
81.07052	12.3
83.05000	5.5
83.08617	16.6
85.06532	0.9
91.05483	18.3
93.07048	8.0
95.04374	1.6
95.04971	23.3
95.08632	4.8
97.02886	1.8
97.06532	1.9
97.10188	1.1
98.21465	1.7
105.07040	14.0
107.04930	3.7
107.08567	2.9
109.06509	2.4
111.04437	1.4
111.08093	7.6
115.05434	1.0
117.07006	1.6
119.08578	11.5
121.06480	2.3
121.10136	4.6
123.08099	1.8
125.09615	1.6
129.07019	7.4
131.08571	7.2
133.06439	1.8
133.10120	3.1
137.09575	1.3
142.07761	3.0
145.10098	1.2
147.08026	2.0
147.11700	6.7
149.09631	4.2
157.10124	10.5
165.12770	2.0
175.11201	8.4
182.06841	0.8
193.12253	20.6
200.08902	0.9
200.32799	0.8
211.13205	2.8
249.14882	1.4
267.15906	38.3
284.96069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03947	2.5
54.98870	0.6
55.01881	3.4
55.05265	1.2
55.05513	14.4
57.03442	14.8
57.07080	1.3
65.03938	2.0
67.05506	45.5
69.03417	1.9
69.07069	16.1
69.28259	2.3
69.28680	2.7
71.05000	3.9
73.06551	0.8
77.03227	0.6
77.96365	0.7
79.05495	27.0
81.03421	35.7
81.07058	100.0
83.04986	11.6
83.08621	12.7
85.06545	3.9
91.05486	35.6
93.07049	17.7
95.04975	11.0
95.08607	27.3
97.02893	1.2
97.06530	8.2
97.10152	0.9
99.04474	0.6
99.08096	4.3
101.06031	1.2
105.07032	39.2
107.04951	2.1
107.08598	12.3
109.06528	5.6
109.10145	2.5
111.04436	0.7
111.08083	3.5
113.06019	1.3
115.05459	1.6
115.07588	0.9
117.07012	1.8
119.08589	30.8
121.10149	18.5
121.11020	0.6
123.08078	5.3
123.11710	22.0
127.07573	2.1
129.06999	4.3
131.08545	4.2
133.06532	1.3
133.10138	6.2
137.09561	0.6
137.13252	2.5
141.09106	1.4
142.07730	1.2
145.10146	2.0
146.21538	0.6
147.08040	1.4
147.11694	57.5
149.09625	2.5
154.31834	0.7
157.10123	6.2
165.12753	24.5
165.14156	1.3
175.11198	5.0
183.13847	0.9
184.49950	0.7
193.12254	7.8
210.91432	0.7
211.13261	0.8
267.15918	91.6
268.16232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1594
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.02384	0.6
53.03958	2.0
55.01874	2.4
55.05516	12.1
57.03445	7.2
57.07081	1.1
61.93965	0.4
63.02407	0.4
65.03949	1.2
67.05510	38.7
69.03429	1.3
69.07076	15.4
69.41940	3.2
71.04987	3.0
73.06570	0.8
79.05501	22.4
81.03429	12.8
81.07063	100.0
82.07384	0.4
83.04992	7.6
83.08627	8.5
85.06551	5.9
87.04460	0.5
91.05490	29.4
93.07052	15.4
94.82940	0.4
95.04980	5.5
95.08614	26.8
97.02930	0.6
97.06536	7.1
97.10142	0.5
98.21596	0.5
99.04473	0.5
99.08101	4.1
101.06042	1.3
103.05515	0.5
105.03370	0.5
105.07040	36.9
107.04946	1.5
107.08607	10.5
109.06538	5.8
109.10154	2.0
111.04452	0.5
111.08096	2.0
113.06045	1.2
117.07022	1.1
119.08595	26.0
121.10149	16.1
121.11030	0.6
123.08088	5.2
123.11717	22.5
127.07568	2.8
129.07007	2.9
131.08594	2.0
132.18732	0.4
133.06506	1.3
133.10127	4.6
137.09659	1.0
137.13237	2.0
141.09143	1.5
142.07800	0.6
145.10190	1.0
147.11699	58.0
148.12062	0.6
149.09628	1.4
151.11229	0.5
154.31763	0.5
157.10135	3.1
161.06059	0.6
165.12772	21.6
175.11176	3.2
183.13832	1.7
193.08565	0.9
193.12282	4.3
229.14294	0.6
251.36043	0.4
267.15936	85.9
268.16263	1.5
277.01666	0.4
283.24466	0.5
285.10214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	3.0
65.03961	1.0
70.36473	1.6
70.36842	1.5
70.37040	0.7
71.04981	0.8
77.32262	0.9
81.07048	3.0
84.04509	89.5
85.02892	1.2
85.04868	0.9
91.05488	78.0
98.20775	1.1
102.04856	1.5
102.05546	29.2
119.03541	1.9
130.05009	100.0
131.05351	1.0
136.06195	60.2
137.06084	1.1
148.06056	36.8
168.58720	1.0
220.09702	3.0
234.13499	12.3
266.10214	1.7
266.16095	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	266.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21486	1.9
55.05510	7.8
67.05527	2.4
69.03439	3.7
70.11765	8.2
71.08627	3.0
79.05503	5.9
81.07057	23.0
83.04971	4.4
83.08607	7.0
85.06541	3.0
87.00842	100.0
99.08089	10.0
101.05996	3.7
105.01877	62.5
105.02582	3.5
108.08147	2.2
109.02864	2.4
109.06516	13.5
110.06099	3.0
112.66014	1.9
114.10307	6.2
115.03175	2.1
117.09148	5.5
122.06080	4.4
123.06823	7.1
127.07568	30.1
131.08578	3.6
138.05482	13.9
145.08604	4.3
150.05496	10.0
151.06281	6.4
152.05705	4.8
168.06570	39.3
175.21181	2.2
203.09131	4.2
220.13324	4.0
230.11890	3.5
231.08675	60.4
248.12897	3.0
266.13962	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03946	3.8
55.01873	2.3
55.05518	6.6
57.03442	18.6
57.07065	1.5
66.52795	0.7
67.05181	1.0
67.05512	12.7
69.03428	2.3
69.07055	3.6
70.81179	1.1
70.81504	1.4
71.04995	2.0
73.80275	0.7
79.05157	0.8
79.05511	12.1
81.03425	100.0
81.07069	11.9
83.04976	4.8
83.08166	1.0
83.08626	13.2
91.05495	17.1
93.07053	7.6
95.04980	21.3
95.08615	6.1
97.02869	2.8
97.06527	1.2
97.10194	1.5
98.98450	1.1
99.08075	0.9
105.07047	12.9
107.04941	4.2
107.08596	2.3
109.06534	2.0
109.10155	1.8
111.04443	1.3
111.08099	7.2
115.05455	0.9
117.07009	1.4
119.04989	1.2
119.08585	12.7
121.06464	2.2
121.10145	3.2
123.08064	1.0
129.07031	7.2
131.08580	6.8
133.06456	2.5
133.10153	3.8
137.09641	1.1
142.07819	1.7
145.10097	1.4
146.33969	0.8
147.08060	2.2
147.11690	7.8
149.09616	3.6
157.10150	8.2
161.94711	0.8
172.63652	0.8
175.11226	10.2
193.12270	19.1
211.13304	1.8
249.14946	1.8
267.15930	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21350	0.4
54.69906	0.4
58.69806	0.5
58.99866	1.6
71.36414	0.8
77.00905	2.0
81.03423	0.6
82.99865	1.6
84.08142	1.6
85.02902	0.6
92.04379	0.4
101.00886	10.2
101.57558	0.4
107.03470	3.1
111.02939	1.7
113.00845	1.1
115.02412	1.0
119.01156	0.8
119.01926	8.8
120.60493	0.5
121.01509	0.9
125.04483	1.7
129.03999	3.7
131.01932	1.6
131.08556	0.6
134.99858	0.8
135.02924	1.0
137.02975	0.8
137.04489	0.7
139.02406	1.9
140.98882	3.3
143.01906	0.7
145.03426	0.8
147.05049	1.1
153.03983	3.9
155.05537	3.0
157.03473	1.5
158.99895	7.4
161.02948	1.1
169.03479	3.8
171.05038	11.3
173.02789	0.6
173.06642	2.3
176.10738	0.6
177.00966	21.1
178.01172	0.6
181.03452	4.0
182.99893	2.1
187.04549	1.9
189.06108	5.2
191.07594	0.7
197.02953	2.8
199.02902	0.6
199.04538	5.0
201.00926	5.2
201.02553	0.4
204.10164	0.6
215.04007	4.2
217.03972	3.9
217.05829	0.6
219.02020	27.1
220.02094	0.8
225.00912	2.3
225.02521	1.5
233.05109	0.4
234.00565	0.6
243.01978	14.9
243.03767	7.2
244.02000	0.6
261.02713	100.0
262.02914	2.8
266.05167	1.5
266.16080	1.0
279.05780	2.4
284.06366	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	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43826	0.8
60.04531	11.1
61.70201	0.7
64.67016	0.7
65.03947	1.0
70.02965	8.2
70.05627	2.9
77.76691	0.7
85.52699	0.8
88.03999	52.7
91.05489	78.2
97.19425	0.8
102.05550	100.0
113.02359	1.0
116.74558	0.7
130.05019	2.0
146.06020	2.1
148.06053	60.2
206.08179	2.6
219.35233	0.8
220.09714	8.1
234.07718	1.3
248.09225	2.4
266.10275	1.3
285.18536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03000	1.7
55.05517	1.0
67.05503	0.5
69.03422	0.2
70.06596	6.0
71.20993	0.2
71.21320	0.2
72.05640	1.1
72.08158	27.6
73.08482	0.2
79.05492	0.4
81.07067	0.7
83.04987	0.2
86.07187	0.7
87.00834	0.3
90.30300	0.2
91.05508	0.9
93.07050	0.5
95.04961	0.3
95.06084	0.3
95.08627	0.3
96.04508	0.6
97.02920	0.3
97.07658	15.5
99.09229	0.2
105.01872	0.2
105.07042	0.5
107.04954	0.3
107.08602	0.2
108.08109	0.3
109.06542	0.2
109.44746	0.2
111.04451	0.7
112.08736	5.0
114.10295	100.0
115.10632	0.4
115.84923	0.2
117.07050	0.2
119.08575	0.5
121.06522	0.2
121.10153	0.2
123.05596	0.2
124.03963	0.4
126.12810	0.3
131.08574	1.1
133.06555	0.3
134.09656	1.9
135.08087	0.3
136.06203	0.6
145.02832	0.2
145.10132	0.3
147.08057	0.5
150.05481	0.2
150.12773	0.4
152.14345	0.6
158.07338	0.3
159.08096	1.0
159.11702	0.4
162.07707	0.3
162.12804	0.4
164.14258	0.2
168.06563	0.2
168.99533	0.2
174.11490	0.3
175.07603	0.5
176.14294	0.2
177.09138	0.5
186.11510	0.8
187.11195	0.3
189.09085	0.2
193.08556	0.4
201.14101	0.2
203.10638	0.2
204.10252	0.2
206.11725	0.3
206.19025	3.5
214.10989	0.4
229.13446	1.8
231.08586	0.4
247.14319	0.3
248.12875	0.4
248.21237	0.2
265.07205	0.2
265.15558	1.8
265.23865	10.6
266.13858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
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
53.03935	5.6
54.04639	3.3
55.01863	4.2
55.05508	15.9
65.03945	11.5
67.05504	32.8
69.03432	38.1
69.07054	5.4
70.66657	4.2
70.66989	6.9
71.04987	7.9
79.05499	23.4
81.03436	6.1
81.07070	19.4
83.04987	11.6
85.02887	17.6
85.06541	4.5
87.00822	5.0
91.05489	94.2
93.03417	8.3
93.07056	45.7
95.04972	44.2
95.08592	23.6
97.02900	4.0
97.06508	8.4
102.05527	5.6
105.03431	3.4
105.07042	81.0
107.04951	5.8
107.08618	25.7
109.02888	3.9
109.06525	32.3
109.10153	14.7
111.04444	33.7
111.08089	8.5
113.06011	13.5
114.10297	6.2
115.05493	6.6
116.06214	4.7
117.03442	4.3
117.07038	22.3
119.04942	10.1
119.08588	100.0
120.08119	5.8
121.02870	17.3
121.06506	44.3
121.10152	16.4
122.07184	7.4
123.08035	36.1
125.06087	3.8
128.06247	5.1
129.07010	21.1
130.07779	4.7
131.08575	47.5
133.06519	12.7
133.10138	23.9
134.09689	8.2
135.08061	84.6
135.09988	17.1
137.09633	17.5
139.03894	12.2
139.07587	7.9
141.07033	8.6
142.07748	10.0
143.08598	17.7
144.05685	3.7
144.09349	12.4
145.02858	7.0
145.06487	18.3
145.10132	35.8
146.07327	4.6
147.08061	55.9
147.11685	12.4
149.05992	11.0
149.09634	13.5
151.07571	4.4
153.07033	6.1
154.07846	6.2
155.08574	10.7
156.09351	5.9
157.06474	4.7
157.10133	21.1
158.07285	20.0
158.10950	7.2
159.08072	45.1
159.11713	41.3
160.08908	5.1
161.09622	38.8
161.13171	5.8
163.07587	6.2
165.09134	34.1
168.09407	9.0
169.10083	4.2
171.08051	6.4
171.11723	9.1
172.08847	26.1
173.06032	4.2
173.09624	25.9
173.13242	19.9
175.07578	65.0
175.11172	37.0
177.05432	4.6
181.06511	7.3
183.11717	12.3
185.09673	11.2
186.10384	8.3
187.07581	4.6
187.11238	36.8
189.09100	12.5
189.12750	16.5
193.08630	26.7
193.10178	6.4
196.08904	7.2
199.11122	20.2
201.12732	38.3
203.10674	46.0
205.12308	5.6
211.11209	22.5
217.12184	26.2
219.06567	6.6
219.13736	9.1
229.12204	27.6
231.08746	5.1
235.13274	10.4
247.13110	42.2
265.12421	5.6
265.14679	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	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59116	0.7
53.03941	1.3
55.01863	3.2
67.05503	2.0
69.06726	1.3
69.07075	11.4
70.01291	0.7
70.06600	0.8
71.42812	1.0
71.43136	1.0
79.05497	12.6
81.07053	1.0
91.05485	16.5
95.04994	1.2
97.06537	100.0
102.35558	0.9
105.03378	2.0
109.06513	1.5
119.04952	12.6
121.06521	1.2
133.06499	2.1
134.70216	0.8
135.04388	1.5
137.05988	83.6
147.04401	4.7
152.07784	0.7
154.48399	0.8
159.08002	1.0
160.05106	1.2
161.09613	1.1
177.09175	0.8
189.09108	10.4
203.06633	0.8
215.10704	1.7
218.11855	0.8
232.07143	2.7
233.11740	90.7
234.12015	1.1
247.13385	2.6
264.15973	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03943	4.9
55.05512	10.0
65.03945	6.2
67.05506	23.3
67.33704	4.6
69.03431	35.9
69.07051	4.7
71.02634	10.8
71.05019	5.4
72.38250	4.1
77.36197	4.6
79.05467	14.8
81.07052	20.5
83.04982	10.5
85.02895	11.4
85.92889	4.1
90.03964	4.2
91.05483	51.2
93.03387	7.6
93.07050	37.1
95.04973	42.4
95.08604	19.5
97.06536	5.4
99.04403	4.7
105.07042	65.5
107.04956	6.8
107.08585	21.4
109.06518	32.7
109.10180	7.6
111.04458	30.2
111.08064	6.0
113.06002	16.5
117.07042	19.4
119.08586	100.0
121.02859	10.5
121.06544	42.8
121.10119	14.4
123.08062	19.0
128.06282	6.0
129.07013	18.0
130.07809	6.4
131.08574	36.5
133.06502	5.1
133.10132	20.6
134.09631	8.6
135.08057	78.3
135.09924	6.3
135.25090	4.8
136.07593	7.2
137.09598	11.8
139.03902	9.4
139.07484	5.6
141.06960	8.8
142.07809	10.5
143.08574	12.7
144.05812	4.6
144.09302	8.0
145.06494	10.2
145.10115	29.1
147.08058	39.0
147.11678	11.3
149.05983	7.1
149.09639	12.8
151.07552	5.4
156.09346	6.3
157.10107	13.5
158.07269	16.4
159.08055	37.2
159.11713	42.4
161.09633	43.1
165.09158	27.9
168.09344	8.2
171.07947	7.0
171.11691	10.5
172.08813	18.0
173.09598	18.5
173.13258	15.0
175.07564	69.1
175.11163	38.0
183.11690	13.0
185.09641	5.4
187.11172	45.9
189.09138	11.4
189.12801	13.2
193.08658	24.2
196.08792	8.2
199.11179	12.3
201.12659	33.0
203.10674	37.1
205.12146	8.1
211.11221	23.9
217.12268	26.5
219.13832	7.6
229.12262	28.0
235.13306	10.7
242.23732	4.4
247.13342	37.6
248.94495	4.9
265.14572	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.4
55.01881	3.4
55.05514	0.8
56.96542	0.4
57.03437	1.1
59.13195	0.4
63.01061	0.4
63.58021	0.3
65.03941	0.7
67.05507	3.3
69.03426	1.3
69.07076	9.2
69.91661	0.4
71.05000	0.7
71.12083	0.9
74.92097	0.4
79.05499	12.9
81.03419	1.7
81.07046	1.4
91.05486	14.3
93.07045	0.8
95.04968	1.1
96.08904	0.4
97.06535	100.0
98.06885	0.5
105.07045	1.7
107.04958	1.6
107.08604	0.7
109.02834	0.5
109.06535	1.3
117.07027	0.4
119.04945	8.1
119.08555	0.6
120.04465	0.6
121.02866	1.1
121.06529	1.6
121.10187	0.7
123.29974	0.4
128.06235	0.6
131.04982	0.5
131.08577	0.7
132.08102	0.6
133.06509	2.1
135.04416	2.2
135.48416	0.4
137.05984	67.1
141.06906	0.4
145.06444	0.6
145.10124	0.8
147.04416	7.1
147.08025	0.8
149.06021	2.3
154.43498	0.4
159.08081	0.8
161.05969	0.7
161.09616	1.6
163.07553	0.8
173.05927	0.6
175.07541	0.7
177.09152	0.9
186.67477	0.5
187.11057	0.6
189.07436	0.7
189.09113	11.3
191.10657	0.8
193.01495	0.4
194.00273	0.4
203.10863	0.5
215.10684	3.8
233.11736	49.9
234.12036	0.9
247.13269	7.1
264.15961	46.6
265.14166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
59.74854	0.4
67.05502	0.5
69.03431	0.7
70.06587	0.4
71.04993	0.4
71.50653	0.4
79.05065	0.3
79.05494	0.8
80.05017	1.2
81.03407	0.8
81.07050	1.3
82.07406	0.4
83.05020	0.3
87.04474	6.7
91.05507	1.6
93.05750	0.4
93.07039	1.4
95.04975	0.5
95.08648	0.7
105.07035	1.4
105.51491	0.3
107.08576	0.4
107.16920	0.3
108.08125	8.3
110.09682	1.0
111.34831	0.3
117.07059	0.4
118.06558	2.6
119.08617	1.8
120.08112	0.6
120.70882	0.3
121.02872	0.9
121.06479	0.8
123.59035	0.3
129.06970	0.4
130.06540	0.8
131.07265	0.9
131.08540	0.5
132.08092	1.5
133.10143	0.6
134.09642	0.7
135.11679	0.4
144.08095	7.5
145.08873	0.7
146.09636	2.5
149.13223	0.4
158.09636	2.7
159.10487	1.6
159.11568	0.3
160.05075	2.4
160.11240	2.1
166.08676	2.2
172.11250	1.9
176.07077	3.6
176.14337	5.1
188.07111	0.4
188.14417	0.7
189.15115	1.2
190.08691	2.1
191.09451	0.7
192.07677	0.4
194.11787	10.0
196.13324	3.9
202.08682	0.6
202.15932	26.1
203.16292	0.4
203.49718	0.3
204.10213	1.4
206.08110	0.9
216.13857	18.8
218.11859	0.6
218.15381	5.7
220.09729	1.2
221.10477	0.8
234.11174	0.8
234.14915	28.0
235.15080	0.5
246.05106	0.5
246.14879	3.3
264.15976	100.0
264.19479	8.7
265.07016	0.4
265.16299	1.3
265.19608	0.3
272.60339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1232
Annotation	Acanthomine A
Peak:m/z	Relative Intensity
57.03442	4.5
70.61801	1.3
71.01355	2.1
79.05499	0.9
80.05003	0.8
85.02907	67.0
86.05194	0.5
91.05473	0.9
93.07072	0.5
95.01336	0.5
97.89576	0.5
99.98026	0.6
103.03938	1.1
105.07024	0.9
107.08586	0.5
112.65774	0.5
113.02395	1.5
115.05454	0.9
117.07028	1.6
118.06540	11.0
119.07327	9.1
131.03406	3.8
131.06851	0.7
134.09656	100.0
135.10023	0.8
155.08566	0.9
160.11293	0.6
161.05972	1.0
173.96230	0.5
183.07990	1.4
201.09094	1.1
204.55435	0.5
232.06737	0.6
246.11295	0.8
247.09647	3.2
253.10002	0.5
264.12311	84.2
265.12622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1596
Annotation	Pyridoxatin
Peak:m/z	Relative Intensity
55.05512	0.6
59.74854	0.4
67.05502	0.5
69.03431	0.7
70.06587	0.4
71.04993	0.4
71.50653	0.4
79.05065	0.3
79.05494	0.8
80.05017	1.2
81.03407	0.8
81.07050	1.3
82.07406	0.4
83.05020	0.3
87.04474	6.7
91.05507	1.6
93.05750	0.4
93.07039	1.4
95.04975	0.5
95.08648	0.7
105.07035	1.4
105.51491	0.3
107.08576	0.4
107.16920	0.3
108.08125	8.3
110.09682	1.0
111.34831	0.3
117.07059	0.4
118.06558	2.6
119.08617	1.8
120.08112	0.6
120.70882	0.3
121.02872	0.9
121.06479	0.8
123.59035	0.3
129.06970	0.4
130.06540	0.8
131.07265	0.9
131.08540	0.5
132.08092	1.5
133.10143	0.6
134.09642	0.7
135.11679	0.4
144.08095	7.5
145.08873	0.7
146.09636	2.5
149.13223	0.4
158.09636	2.7
159.10487	1.6
159.11568	0.3
160.05075	2.4
160.11240	2.1
166.08676	2.2
172.11250	1.9
176.07077	3.6
176.14337	5.1
188.07111	0.4
188.14417	0.7
189.15115	1.2
190.08691	2.1
191.09451	0.7
192.07677	0.4
194.11787	10.0
196.13324	3.9
202.08682	0.6
202.15932	26.1
203.16292	0.4
203.49718	0.3
204.10213	1.4
206.08110	0.9
216.13857	18.8
218.11859	0.6
218.15381	5.7
220.09729	1.2
221.10477	0.8
234.11174	0.8
234.14915	28.0
235.15080	0.5
246.05106	0.5
246.14879	3.3
264.15976	100.0
264.19479	8.7
265.07016	0.4
265.16299	1.3
265.19608	0.3
272.60339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05058	1.3
57.03448	0.9
58.52304	0.5
69.03473	0.7
69.44071	3.9
84.04510	15.7
85.02911	24.0
86.06104	1.0
87.04485	1.2
95.01344	3.1
98.20791	1.2
98.97611	1.6
102.05550	11.9
102.06183	0.9
112.03979	1.7
113.02393	0.9
117.07072	1.1
118.06554	4.0
119.07330	3.5
129.07059	0.8
130.05014	100.0
131.05385	0.9
132.08105	0.9
134.09662	90.4
146.06006	0.7
146.09654	1.3
156.08128	1.2
158.09668	0.7
160.11237	1.0
174.09151	4.1
182.09619	1.0
188.07072	1.3
200.10681	1.6
217.11441	1.0
217.13376	15.5
246.11264	2.5
263.05435	0.7
263.09552	1.0
263.13947	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	263.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00203	0.9
55.05503	1.1
56.05025	1.0
56.96568	1.1
57.22669	1.1
58.06595	3.2
60.08167	69.3
63.85089	0.9
70.06590	1.6
70.79628	2.1
80.78905	0.9
85.02921	1.0
86.09666	1.0
91.05492	1.2
95.08600	1.0
98.97583	3.0
100.07641	1.0
101.74509	0.9
103.05502	1.3
104.05112	1.0
105.07066	1.1
115.05512	2.6
116.07118	2.4
118.06544	1.8
118.08680	1.9
120.08092	4.3
130.06532	100.0
130.08549	2.4
132.04460	25.5
132.08089	3.5
134.09732	1.6
146.06021	1.7
148.07597	8.5
158.06024	95.9
160.07596	2.1
162.05482	1.1
171.28317	1.0
176.07083	23.1
186.05511	49.4
187.66833	1.0
188.07170	1.1
203.13972	1.0
204.06564	50.8
207.53445	1.0
209.30122	1.1
231.00963	0.9
232.59880	1.0
245.12910	2.4
263.13922	47.6
264.12268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	(+)-Clavicoronic acid
Peak:m/z	Relative Intensity
53.03936	5.2
54.60566	1.6
55.01863	5.1
55.05511	13.2
56.96580	1.7
57.03434	2.6
57.07077	4.2
64.18026	1.6
65.03935	3.5
67.05513	29.3
67.07249	1.7
69.03441	12.8
69.07072	21.1
70.06583	3.8
70.83179	5.2
70.83539	3.1
71.04991	8.8
71.08596	2.1
79.05503	21.1
81.03416	4.2
81.07063	54.4
81.10933	1.6
83.04977	5.3
83.08614	9.0
85.02905	3.0
85.06537	5.2
91.05479	23.1
93.07046	33.0
95.04965	7.3
95.08609	46.9
97.02885	5.2
97.06544	23.9
97.10156	4.1
98.42155	1.6
99.08107	3.3
103.05511	2.5
105.06393	2.8
105.07044	27.9
107.04968	5.3
107.08595	37.7
109.02885	5.9
109.06521	7.5
109.10168	31.4
111.04433	10.9
111.11710	2.6
113.02354	5.3
115.05464	4.5
116.06322	1.7
117.07018	6.1
119.04919	2.6
119.08580	23.1
121.06523	9.0
121.10152	21.9
123.04464	8.5
123.08075	5.2
123.11712	13.9
125.05938	2.5
125.09626	2.1
128.06221	4.3
129.06999	6.9
131.08577	11.0
133.06488	7.8
133.10118	15.6
135.04433	6.9
135.08061	100.0
135.11668	19.4
137.06009	9.4
137.13246	3.6
139.07553	2.5
139.11192	2.5
141.07030	4.4
142.07799	5.6
143.08598	9.4
145.06490	6.4
145.10117	6.4
147.04385	2.3
147.08052	9.5
147.11746	10.3
149.06041	3.2
149.09634	2.8
149.13254	15.9
151.07559	3.5
151.11263	2.4
153.01831	4.9
156.09338	8.3
157.06564	2.5
157.10085	8.5
158.07272	3.7
159.08028	9.2
159.11702	10.4
160.08823	3.3
161.05978	3.2
161.09592	8.9
161.13217	5.4
163.07550	2.2
163.14835	10.0
165.01862	2.8
165.09161	3.5
167.07094	1.9
171.08018	3.3
171.11719	7.7
172.08868	6.0
173.09631	10.4
173.13264	2.4
175.07614	2.9
175.11226	5.0
175.14803	5.4
177.09061	2.9
177.16386	1.9
181.10204	2.4
184.08855	7.1
185.05998	2.6
185.09645	5.8
185.13333	3.5
187.07570	2.5
187.11192	28.0
188.08354	3.5
189.09131	4.0
189.12753	4.4
189.16269	4.1
199.11159	18.1
203.03387	2.9
203.07076	2.0
203.10677	33.4
203.14415	2.6
205.12152	2.3
209.09671	3.8
212.08347	4.4
215.10719	17.6
217.08669	3.8
217.12239	19.3
227.10669	17.4
233.08110	3.2
233.11694	17.4
245.04459	6.4
245.08099	4.0
245.11758	50.6
245.15318	2.4
245.22635	10.6
263.05453	4.9
263.12793	14.5
263.16144	11.4
263.23718	32.4
264.15964	7.5
284.20596	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23371	12.9
70.28406	53.3
70.28756	13.9
87.03825	11.3
91.24224	12.3
101.00911	23.4
119.01944	18.0
122.77587	12.0
139.14561	12.6
143.01898	34.3
146.86981	12.4
161.02928	33.4
175.14554	12.5
185.00153	11.3
229.91217	11.7
263.01669	100.0
263.06027	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
52.71245	0.3
54.22145	0.3
56.28054	0.3
57.07089	1.9
61.51382	0.4
69.29945	1.1
69.30367	1.6
70.06598	4.4
71.08637	0.7
83.97611	0.3
87.04472	32.2
88.07637	3.7
98.21478	0.6
105.87798	0.3
106.08665	0.5
114.09170	0.8
117.05848	0.3
118.05708	0.6
118.06552	12.0
118.08667	0.4
132.08101	4.2
132.09117	0.3
132.09299	0.5
132.10214	5.2
133.08849	1.8
134.09586	0.6
146.09630	4.2
147.10439	0.5
150.06371	0.4
150.11266	5.0
161.12003	0.4
176.14354	76.9
177.14700	1.0
186.18478	0.4
218.21190	1.8
262.18033	100.0
262.23779	26.9
263.18323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57607	34.8
70.77674	100.0
77.82290	34.3
131.28529	36.4
145.77391	33.1
161.02930	41.2
225.68799	37.8
263.01797	91.4
264.31555	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03939	3.8
55.01875	1.3
55.05513	13.3
55.18065	0.8
57.03421	1.2
57.07076	6.2
58.06586	0.8
65.03947	2.4
67.05508	49.3
69.06738	1.2
69.07073	15.8
71.04979	3.2
71.08624	3.6
76.32652	0.7
77.03928	1.8
79.05498	82.5
81.07062	56.9
83.04981	2.0
83.08631	8.2
85.06530	3.8
85.10160	2.1
91.04906	1.2
91.05485	41.6
93.07047	100.0
95.04974	5.3
95.08614	42.5
97.06552	4.9
97.10146	3.7
98.20732	2.1
98.67954	0.8
99.08086	4.5
105.04511	2.7
105.07037	26.7
107.08601	58.6
109.06506	3.1
109.09490	1.3
109.10166	14.8
111.08085	2.6
113.09644	1.9
114.97629	0.9
115.05482	1.5
117.07005	9.9
119.06054	1.1
119.08591	17.9
121.06561	1.2
121.10151	44.4
123.08060	1.7
123.11699	4.0
125.09654	1.5
128.06169	1.1
128.53622	0.9
129.06992	1.5
130.07710	0.8
131.07585	1.5
131.08572	22.6
133.10144	16.3
135.08037	1.8
135.11700	34.9
137.13223	2.1
145.10123	17.3
147.11705	12.5
149.09622	3.4
149.13268	25.8
151.03987	1.0
151.14778	1.1
152.48412	0.8
153.12793	1.7
159.11699	13.4
161.13257	12.6
163.11197	1.5
163.14836	17.2
165.12816	1.1
173.13258	14.2
175.14807	3.9
177.16396	5.2
179.14334	1.8
180.07838	0.8
187.14839	7.0
189.16364	1.4
191.14325	1.0
201.16359	3.9
203.17953	1.0
205.15846	1.8
215.17932	2.6
219.17378	1.2
233.22610	2.0
243.21097	32.5
261.03955	1.3
261.12515	2.7
261.22122	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02377	1.1
51.57064	0.8
53.03935	2.7
55.05273	1.1
55.05514	13.2
57.03430	1.5
57.07064	3.7
65.03937	2.4
67.05505	40.6
69.07068	12.1
71.04977	2.8
71.08620	1.9
71.25665	0.9
71.51475	1.4
79.05494	59.2
81.07056	48.9
82.11892	0.7
83.04986	1.8
83.08607	6.5
85.06544	4.9
91.05482	27.9
93.07045	77.3
95.04963	3.5
95.08609	39.7
97.06557	4.6
97.10157	3.8
99.08078	3.6
105.04514	1.2
105.07034	19.7
107.08594	45.4
109.06519	2.6
109.10161	14.5
111.08065	3.3
113.09657	0.9
117.07009	5.5
119.08586	15.3
121.10146	46.4
123.08064	1.0
123.11700	5.1
125.09686	1.1
129.06975	0.9
130.07793	0.8
131.08569	14.3
133.10126	12.3
135.01813	1.0
135.11696	34.7
135.12729	1.7
137.09619	1.8
137.13251	1.0
139.11188	1.2
145.10127	16.2
147.11703	11.9
149.09587	1.5
149.13260	27.9
151.11186	1.3
159.11691	11.0
161.13261	11.0
163.11172	1.2
163.14835	19.8
165.12737	1.1
173.13269	11.0
175.14854	4.7
177.16417	4.2
179.14323	2.7
187.14839	7.2
189.16304	0.9
201.16365	2.4
203.17935	1.2
215.17920	1.5
219.17358	1.3
233.22691	1.7
243.21101	33.8
261.03998	1.9
261.22144	100.0
262.22351	1.6
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
50.01613	0.7
51.02367	0.8
53.03944	4.4
55.01880	1.9
55.05519	15.9
57.03447	1.6
57.07081	6.3
60.07121	0.7
65.03941	1.9
67.05510	48.8
69.07075	15.7
69.29463	1.6
69.29870	4.7
71.04993	2.9
71.08649	3.6
77.03926	1.2
77.27767	0.7
79.05499	76.3
81.03466	0.7
81.07063	51.4
83.04972	1.6
83.08619	7.4
85.06546	5.0
85.10188	1.6
91.05484	40.2
93.07050	100.0
95.05004	3.5
95.08614	41.4
97.06544	4.7
97.10188	2.6
98.20705	1.1
99.08119	4.6
105.04533	2.6
105.07036	22.1
107.08604	55.7
109.06522	2.6
109.10162	13.3
109.10847	1.3
111.08115	3.3
113.09648	2.2
115.05473	0.9
117.07021	9.3
119.06056	0.7
119.08588	17.4
120.68367	0.6
121.10152	45.2
123.08038	1.6
123.11723	4.2
126.12714	0.6
126.13830	0.7
130.07774	1.0
131.08572	20.7
133.10146	11.9
135.08040	2.0
135.11699	31.5
137.09659	1.5
137.13240	1.5
138.92500	0.7
143.08595	0.9
145.10138	17.5
147.11697	12.1
149.09694	3.1
149.13274	24.0
151.03949	0.6
151.11201	1.1
151.14815	1.0
153.12804	0.8
159.11699	10.9
161.13258	10.6
163.11221	2.1
163.14835	15.5
165.12819	0.9
173.13292	10.8
175.14839	4.4
177.12767	0.7
177.16405	5.3
179.14348	1.5
181.12395	0.7
187.14813	7.3
201.16385	3.6
205.15869	1.0
215.18019	1.4
217.19666	1.4
217.96869	0.7
219.17505	1.5
233.22665	2.6
243.21092	27.3
261.22150	85.3
262.22449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Suprofen
Peak:m/z	Relative Intensity
61.21228	1.3
70.02904	2.2
70.03300	3.1
71.64013	1.2
77.61887	1.4
84.08122	2.7
85.01414	1.8
86.09722	2.0
99.05593	2.1
101.00911	4.0
103.02438	2.5
113.00967	1.3
115.02450	1.7
119.01930	3.4
126.09234	1.4
130.05034	3.4
131.92957	1.3
133.03476	8.1
147.07582	1.6
151.04652	1.6
154.08669	3.7
169.01155	2.0
171.05046	2.5
189.06142	1.5
200.09082	1.5
201.03978	2.0
217.55434	1.3
229.03288	30.5
243.04817	4.8
261.05884	100.0
261.08755	5.2
261.14490	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
54.08854	0.8
55.01863	0.9
55.05511	12.8
57.03424	1.9
57.07064	3.7
65.03922	1.9
67.05507	43.8
69.07068	13.6
71.05001	2.2
71.08636	1.8
71.22620	0.7
71.27981	0.9
71.28303	1.0
72.83578	0.8
77.03905	1.5
79.05495	56.4
81.07057	47.0
83.04990	1.7
83.08624	8.0
85.06534	3.6
85.10193	1.1
91.05480	33.0
93.07047	78.9
95.04985	4.1
95.08609	37.7
97.06508	3.4
97.10160	2.7
99.08084	3.5
105.04546	0.8
105.07031	19.9
107.08599	47.4
109.06502	3.3
109.10155	16.0
111.08085	2.9
111.08797	0.8
117.07024	6.3
119.08584	15.3
121.10149	43.6
123.08061	1.5
123.11722	4.5
125.09658	1.2
129.06985	1.3
131.08559	15.6
133.10135	14.1
135.11693	32.1
137.09610	1.6
137.13226	1.9
139.11185	0.9
145.10135	14.3
147.11690	12.9
149.09656	1.1
149.13268	25.7
151.11198	1.4
159.11703	10.5
160.02364	0.7
161.13271	12.5
163.11182	1.0
163.14813	18.3
165.12761	1.3
165.18250	0.9
166.30586	0.9
173.13235	10.4
175.14844	4.6
177.16344	4.7
179.14273	2.6
187.14844	6.0
201.16402	3.6
215.17961	1.6
233.04533	1.0
243.21104	29.4
261.03873	3.7
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0308
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
70.32693	0.7
73.36997	0.2
74.01680	0.2
82.99831	0.9
96.75526	0.2
98.97604	0.7
101.00891	6.0
116.98716	0.3
119.01926	6.0
120.01991	0.4
122.97839	0.2
137.02957	0.6
140.98831	1.8
141.11661	0.2
155.99315	0.2
157.02032	0.2
158.99904	4.0
165.99677	0.2
173.02773	0.2
175.03067	0.4
177.00958	11.5
178.01073	0.6
182.99872	1.6
199.03000	0.3
201.00966	4.8
201.02834	0.3
213.16945	0.2
217.04086	2.9
217.05898	0.3
219.02019	17.5
220.02138	0.7
221.01837	0.3
225.00856	2.6
234.00691	0.2
237.98746	1.9
238.98401	0.6
243.02013	15.8
244.02156	0.6
261.03073	100.0
262.03189	3.9
263.03561	0.7
279.00589	0.3
284.04752	1.3
284.24231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06136	1.6
56.96556	4.2
57.19102	1.5
57.86804	1.6
58.99861	5.5
63.44257	1.6
63.70639	1.7
67.05476	1.8
69.03423	1.9
71.05634	2.7
71.05965	2.1
71.31520	1.5
72.48662	1.6
74.66772	1.5
77.00889	3.5
79.59522	1.6
81.03418	3.1
82.99841	3.2
84.04476	2.0
84.08141	6.1
85.01395	2.6
85.96661	1.7
86.09707	9.9
97.01412	2.6
98.97581	10.4
101.00879	22.1
103.00604	7.7
103.02437	2.8
107.03436	4.7
109.49974	1.5
110.97511	2.0
111.02957	6.1
113.00849	2.0
115.02397	3.8
116.98605	3.4
119.01125	3.2
119.01919	25.3
120.02015	1.6
121.01619	7.7
121.81802	1.7
125.04454	3.1
129.03981	17.1
130.05064	2.0
131.01906	4.0
133.03477	9.2
135.03160	4.1
137.67099	1.7
139.02493	3.5
140.98717	3.6
141.03923	2.7
143.01892	6.6
143.02968	1.6
145.03435	4.0
147.05040	6.7
151.04465	1.9
153.03969	8.2
155.01894	2.6
155.05536	5.7
157.03468	6.0
158.99794	7.5
159.05023	5.9
161.02977	8.5
163.02643	2.2
169.03433	7.5
171.05055	34.3
173.01151	2.3
173.02945	2.7
173.06641	9.3
175.04533	2.3
177.00818	18.5
177.06120	3.7
181.03465	10.9
185.02939	2.2
187.04457	4.6
189.02432	2.3
189.06094	24.4
191.02277	2.7
191.07605	2.9
197.03008	8.9
199.04503	9.9
201.00806	6.7
201.02531	4.6
203.03957	3.5
215.04015	20.4
217.05716	2.4
219.01900	28.3
221.05054	2.0
225.02524	4.0
229.01816	2.3
233.05058	2.4
237.02725	8.2
243.01595	6.9
243.03845	29.0
248.75052	1.7
261.02808	47.8
261.04651	100.0
261.08694	3.1
262.05179	3.1
279.00714	2.1
279.05725	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	260.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03476	1.1
55.05504	1.4
56.05051	1.7
56.74283	1.1
60.04531	1.6
67.05508	1.7
70.02953	1.2
70.06586	3.0
70.26193	4.5
71.01862	1.1
71.04992	2.5
72.08172	1.3
73.04044	6.4
74.02439	1.2
81.07072	3.2
84.04523	1.5
84.08126	2.8
85.04050	1.9
85.06544	8.2
88.03996	3.6
91.05471	2.5
93.07016	2.3
95.04993	1.6
99.05583	23.8
102.05528	2.0
106.06561	3.8
107.04980	1.6
109.06498	1.8
111.05588	4.9
115.05051	28.7
118.06531	1.7
119.07465	1.2
120.04480	3.4
120.08129	3.7
121.06492	2.0
122.20369	1.1
123.04491	1.2
127.05054	11.8
128.04993	3.1
130.06534	97.8
132.04454	11.1
132.95811	1.2
134.04492	2.5
134.06023	20.6
137.06000	3.6
139.05026	3.1
141.06609	5.8
142.06564	1.7
146.06020	49.9
148.06015	1.5
151.03822	1.6
157.07617	35.5
157.08899	2.3
158.06020	22.7
167.04437	1.6
169.07625	1.5
170.06035	6.6
171.06490	1.4
175.08652	9.0
185.07133	4.2
187.08728	5.2
188.07117	4.1
204.13837	2.1
205.50536	1.1
214.09669	8.8
215.08237	1.3
228.60178	1.0
232.06870	1.0
232.10808	2.0
242.09250	100.0
243.09795	1.4
260.06433	2.2
260.10291	32.5
278.11368	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.67515	0.5
53.03944	1.5
55.01874	1.2
55.05276	0.8
55.05515	10.6
57.03428	1.9
57.07080	4.0
57.85677	0.5
61.06431	0.5
65.03954	1.3
67.05511	22.9
69.07069	7.6
70.87409	0.5
71.04991	2.0
71.08614	0.6
71.51012	0.8
77.03912	0.6
79.05498	17.5
81.07063	18.2
83.04949	1.0
83.08612	2.9
85.06542	2.4
89.34600	0.5
91.05489	40.3
93.06489	1.2
93.07049	18.6
95.04948	1.5
95.08617	13.3
97.06526	2.3
97.10158	1.0
99.08082	1.7
103.05465	1.3
105.03386	0.7
105.07039	54.1
107.08602	9.9
109.06506	1.8
109.10152	3.9
109.38129	0.5
111.08076	1.2
115.05463	1.9
116.06292	0.6
117.07027	11.5
117.07854	0.7
119.08589	40.1
121.06477	1.1
121.10149	6.8
123.08093	0.9
123.11737	0.8
124.56110	0.5
128.06235	2.3
129.07011	7.6
130.07782	0.7
130.68683	0.5
131.08582	18.3
132.09270	0.6
133.06567	0.7
133.10144	32.4
135.08066	1.3
135.11708	4.9
137.09644	1.0
142.07785	0.9
143.08562	9.4
145.10133	18.0
147.04395	1.0
147.08054	1.8
147.11699	25.3
148.92990	0.5
149.02367	0.8
149.09615	1.7
149.13341	2.7
155.06049	0.6
155.08578	0.9
156.09363	0.8
157.08972	0.7
157.10158	9.4
159.11705	14.5
161.09633	1.6
161.13274	18.0
163.11128	1.1
163.14862	1.1
165.12798	0.7
169.10191	0.9
171.11687	10.5
173.13286	7.8
175.11200	2.2
175.14847	10.9
177.12769	1.5
185.13272	9.1
187.14859	2.7
189.12756	1.7
189.16420	0.7
199.14827	4.6
201.16360	1.3
203.14404	1.2
209.63126	0.5
213.16425	2.2
215.17912	1.5
217.16032	1.1
231.21013	3.2
241.19543	18.8
259.06021	1.2
259.20590	100.0
260.20914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01872	1.4
55.05515	11.0
56.96249	1.1
57.03428	1.4
57.07069	5.3
61.41228	1.1
64.04037	1.2
67.05518	10.3
69.07072	29.8
69.18058	13.2
71.05003	17.1
71.08620	1.4
73.13065	1.2
75.15401	1.1
77.03934	1.4
77.26900	1.1
79.05491	9.6
81.07060	22.0
83.04978	4.0
83.08643	6.6
85.06553	16.0
90.75059	1.0
91.05490	17.7
91.51620	1.1
93.07048	15.9
95.04945	2.4
95.08617	19.5
97.06538	4.8
98.20705	2.3
103.05469	1.7
105.03379	4.5
105.07037	32.6
107.08605	16.2
109.06520	6.1
109.10171	12.5
111.08097	7.3
117.07009	7.5
119.08590	41.0
121.06470	1.8
121.10158	12.1
123.08064	2.0
123.11719	17.6
125.09630	1.3
128.58194	1.1
129.01871	2.0
129.07022	4.0
130.07811	1.8
131.08582	14.2
132.65518	1.1
133.10143	31.3
135.08066	9.7
135.11684	5.1
137.09618	3.9
137.13242	1.6
142.07799	2.7
143.08585	7.6
144.09369	1.7
145.10130	27.2
147.11691	18.2
149.09602	2.7
151.11206	1.4
156.09346	2.6
157.10162	11.1
159.11713	28.4
160.12491	2.9
161.09645	2.6
161.13261	25.9
163.11198	2.2
170.10950	2.0
171.11703	13.6
172.12411	1.3
173.13263	8.6
175.11142	3.5
175.14841	66.9
176.15576	3.6
177.12711	4.3
177.16371	3.2
179.26184	1.3
185.13249	13.3
187.14842	1.5
189.12764	3.5
189.16338	6.4
191.14275	1.6
197.13150	1.5
199.14827	5.5
201.16408	24.1
203.14418	7.6
215.17960	5.7
217.15913	1.2
217.19531	2.5
241.19518	13.2
259.05972	1.7
259.20593	100.0
259.27325	5.0
260.20868	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05506	11.0
57.07055	2.8
64.88960	2.4
67.05496	11.9
69.07071	38.4
69.19976	21.8
69.20391	6.1
71.05001	24.9
79.05490	6.9
80.50867	2.3
81.07070	23.8
83.04982	2.3
83.08607	7.7
85.06557	24.1
87.26978	2.4
91.05482	12.1
93.07060	19.4
95.05001	2.8
95.08630	20.8
97.06512	4.4
105.07041	32.9
107.08598	20.0
109.06516	8.4
109.10152	17.2
111.08105	9.8
117.07018	11.1
119.08595	63.2
121.10147	16.2
123.11730	24.6
128.06201	2.5
129.07028	4.2
130.07768	5.4
131.08551	18.3
133.10152	40.5
135.08081	14.8
135.11685	4.9
137.09612	5.3
142.07779	6.4
143.08580	14.0
144.09320	6.5
145.10136	36.1
147.11696	27.4
149.09636	4.2
156.09410	5.3
157.10136	15.5
159.11711	35.0
160.12466	4.8
161.13272	33.3
170.10899	3.1
171.11736	19.1
173.13275	12.0
175.11320	3.6
175.14853	92.3
176.15656	2.4
177.12814	3.7
177.16446	5.7
183.11623	2.8
185.13312	18.9
189.12776	6.4
189.16431	3.1
199.14812	6.2
201.16403	30.1
203.14279	12.3
215.18002	7.8
217.19553	5.7
241.19531	20.7
259.20609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Bactacine
Peak:m/z	Relative Intensity
53.03937	2.4
55.01875	1.3
55.05516	8.1
57.03426	2.3
57.07067	2.6
57.40614	0.7
67.05506	17.6
69.06779	0.7
69.07073	7.2
71.04995	1.2
71.51392	1.3
73.66948	0.7
79.05497	13.8
81.03400	1.0
81.07062	19.0
83.08623	2.5
85.06538	1.7
90.69326	0.8
91.04903	1.7
91.05481	33.0
93.07051	14.4
95.04955	1.1
95.08611	10.4
97.06521	2.5
97.10206	0.9
101.06021	0.8
103.05433	1.1
105.07036	44.7
107.04950	1.0
107.08601	7.8
109.06494	1.3
109.10149	2.7
111.08076	1.0
116.06210	1.1
117.07021	11.2
119.08587	37.5
121.06500	0.9
121.10154	3.3
123.08060	0.9
125.09519	0.7
128.06218	1.4
129.07008	7.3
131.08571	14.6
132.09364	0.8
133.06494	2.0
133.10139	26.2
135.08073	2.1
135.11684	3.0
137.09610	1.0
142.07787	1.0
143.08575	5.5
145.10135	9.9
147.08043	3.1
147.11702	20.7
149.09616	2.0
149.13269	2.2
157.10129	7.6
159.11699	8.2
161.09616	1.5
161.13268	18.2
163.11194	2.2
163.14789	0.8
171.11687	8.4
173.13252	5.6
175.11116	1.4
175.14830	9.1
177.12679	1.5
185.13326	7.7
187.14709	1.2
189.12785	2.6
198.10147	0.7
199.14822	3.7
213.16272	1.5
215.17949	1.1
231.21126	2.1
237.19099	0.8
241.17247	1.1
241.19536	14.4
259.20584	100.0
260.20935	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	Bactacine
Peak:m/z	Relative Intensity
52.13878	0.5
55.05497	2.1
55.88358	0.5
56.25455	0.5
57.07085	3.6
63.83160	0.5
67.05511	6.7
69.07070	6.4
70.75372	0.9
71.04999	2.4
79.05493	3.4
81.07061	31.0
82.72641	0.5
83.08649	0.9
83.39149	0.5
85.06525	1.1
91.05482	3.5
93.07051	6.4
95.04945	2.5
95.08616	14.8
97.06518	1.0
99.08057	0.6
105.07043	6.7
106.09051	0.5
107.08591	6.9
109.06515	3.8
109.10159	6.7
111.08078	1.4
114.45449	0.5
117.07001	1.8
119.08582	8.9
121.10150	6.3
123.08060	1.9
123.11713	65.1
124.12035	0.8
129.07042	1.2
131.08586	4.2
133.10146	6.7
135.08072	12.1
135.11713	2.4
137.09624	10.0
137.13229	0.8
143.08583	1.5
145.10123	8.8
147.08026	0.7
147.11697	3.8
149.09665	3.7
149.13240	0.7
151.11203	0.6
156.09308	1.2
157.10185	2.4
159.11714	6.0
161.09645	1.3
161.13243	2.8
163.11195	1.9
165.12804	1.4
170.10869	0.9
171.11693	3.3
173.13347	2.4
175.11246	0.9
175.14845	5.1
177.12784	0.7
185.13292	4.0
187.14871	0.6
189.12758	2.2
189.16335	1.4
191.14355	1.9
199.14853	1.2
201.16377	6.8
203.14316	2.2
215.17970	1.5
217.15871	0.6
217.19470	1.5
241.19470	5.5
259.20587	100.0
260.20966	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	259.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
53.71041	1.6
55.01868	13.4
55.05513	9.9
55.60921	1.5
56.05033	9.7
57.03436	2.0
58.99588	12.5
61.01142	4.1
63.65499	1.6
67.05496	5.6
68.05027	6.6
69.03436	2.1
69.07063	12.6
70.02938	3.4
70.06620	1.8
71.02850	4.7
71.04071	1.5
71.04975	1.7
73.01157	2.6
74.00681	2.1
76.02237	4.3
76.03990	4.7
77.03917	1.7
79.05497	61.2
80.05019	5.9
81.05817	1.5
81.06590	2.7
81.07063	32.5
82.06580	13.9
83.08621	3.5
84.04514	10.3
84.08199	1.7
85.01132	100.0
85.04024	6.1
86.00655	28.6
86.99041	6.1
87.02633	1.8
88.02217	5.0
89.03953	3.9
91.05470	4.3
92.01701	2.6
93.07037	9.0
94.06595	9.0
95.04951	5.8
95.07331	2.1
95.08599	7.3
96.08131	13.2
96.55054	1.5
97.01119	4.9
97.06534	69.2
97.08902	11.5
98.09703	31.7
100.02234	2.4
102.05537	1.7
105.04508	3.1
105.07047	9.8
107.04922	4.0
107.07329	2.0
107.08575	3.6
108.08111	6.6
109.08928	3.5
110.09692	14.8
111.02686	2.4
112.03972	12.9
113.04234	97.6
116.01690	21.3
117.03402	4.8
119.80709	1.5
121.06493	5.1
121.10069	1.5
122.09651	8.3
123.04480	2.5
123.10460	3.4
128.06282	2.1
130.05011	40.5
131.04538	3.4
133.02835	2.6
135.04382	8.9
137.05911	2.0
139.05734	6.0
143.02754	4.7
144.01164	4.6
145.02844	3.4
145.10176	1.8
149.02322	4.1
149.05989	2.6
156.08426	74.5
156.10202	42.2
159.04425	3.2
161.02361	10.6
162.02193	4.5
163.03912	33.2
173.02367	24.9
177.03227	8.7
181.06458	2.0
185.05986	2.2
189.03345	8.5
213.05568	2.1
213.09099	2.7
215.07019	30.7
231.06520	4.2
241.08693	2.0
242.08456	16.0
259.05875	4.1
259.11490	46.5
259.17105	1.8
259.20529	2.4
281.87714	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89280	0.7
55.05498	1.6
56.05040	4.5
56.82875	0.8
56.96563	2.4
57.03438	2.0
67.05499	2.9
68.05025	0.8
68.59018	0.8
69.03435	1.1
69.04539	1.0
70.06586	1.8
70.26955	2.8
72.08150	0.9
74.02445	100.0
74.61739	1.0
75.96797	0.7
79.05498	2.3
81.04091	1.7
81.04542	19.5
81.07083	5.0
83.06086	2.0
84.04507	98.2
84.08139	6.6
84.12892	0.7
84.85369	0.8
85.02906	2.8
87.04474	0.9
95.01281	0.7
95.04999	2.3
95.06093	13.9
95.08607	1.2
96.04508	5.3
96.08960	1.5
97.02895	2.9
97.04050	4.2
97.04830	3.4
98.06042	0.9
98.21599	0.8
98.97607	1.2
99.04475	0.8
100.02213	3.3
100.07630	1.2
102.05554	2.6
107.04964	1.5
108.04505	1.0
109.02908	1.0
109.04902	0.9
110.06005	1.4
113.06029	5.0
114.05536	0.8
119.01917	1.4
121.02887	0.9
122.09658	2.3
125.03529	1.5
125.07128	17.3
128.07074	1.5
130.05014	43.8
130.08647	52.2
135.04477	1.1
139.03935	1.7
139.05054	0.8
143.00011	0.9
143.08182	14.3
144.01093	1.5
146.02748	2.4
147.20911	1.0
149.02322	4.4
150.09157	20.1
154.04977	0.8
155.05406	1.1
156.06560	1.3
169.03471	1.0
169.08679	3.9
169.10515	2.3
181.04912	1.6
185.05992	2.2
186.03873	0.8
187.04443	1.2
193.13354	0.9
195.11461	0.9
196.09709	22.4
197.10115	1.0
209.05437	0.8
211.14673	0.9
213.05406	2.1
213.12325	2.3
213.98688	1.2
214.10744	2.3
215.11111	11.6
215.13017	1.5
231.06517	4.5
241.11942	3.1
241.15495	9.2
242.10249	8.4
259.03799	1.1
259.06274	3.8
259.12939	44.0
259.16565	43.7
261.79156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.4
56.96560	1.5
58.99584	0.5
58.99867	0.8
60.05633	0.5
61.02930	0.8
67.04253	3.0
69.03419	1.7
69.07043	0.7
70.06599	3.0
70.99850	0.8
71.04993	0.7
71.15247	0.6
72.08138	0.7
73.01143	0.5
73.02927	0.8
74.00275	0.9
74.00664	7.1
74.02445	0.6
81.03427	0.8
81.04549	1.3
81.07073	0.9
84.04502	2.3
84.08150	5.2
85.02912	1.1
85.08493	1.7
95.04979	0.7
95.06078	1.0
96.04493	0.5
97.02901	1.7
98.97598	1.0
99.04501	0.5
100.02210	100.0
100.07638	0.7
101.00902	4.2
103.00626	0.5
103.02467	1.3
109.02840	0.7
110.07146	1.2
111.07521	1.0
112.07574	0.6
113.00906	0.9
113.06121	0.5
115.02452	1.1
116.07128	1.0
117.03999	0.6
118.03255	4.0
119.01923	5.2
120.01194	1.0
120.02023	0.5
121.01659	1.1
121.06405	0.5
121.39942	0.4
125.07114	0.8
127.02484	0.7
127.03965	0.6
128.07048	1.2
129.10255	2.5
130.04991	1.0
130.06505	0.9
130.08627	1.0
130.10590	2.1
131.01935	2.5
133.03493	3.2
141.04012	0.7
143.01939	1.5
144.01212	0.6
145.03523	1.0
146.02721	96.8
147.03162	1.0
151.04469	0.5
153.01849	3.1
157.03500	2.0
157.07635	1.2
159.05087	2.2
161.02991	2.1
165.54944	0.5
169.03490	5.5
171.01361	1.0
171.05049	1.2
173.02884	0.6
175.00958	2.3
175.04575	1.4
179.75864	0.5
185.02975	2.2
187.02914	1.1
187.04475	5.4
189.02513	0.9
189.06076	0.8
189.33490	0.5
196.04369	0.7
203.04047	1.9
213.02596	1.0
213.06949	25.0
213.14215	1.1
215.04213	0.6
217.02016	2.1
217.05644	1.2
221.05064	0.9
223.04863	0.5
227.13963	0.7
231.03380	2.5
231.07016	0.7
235.02991	1.3
236.06738	1.1
258.36731	0.5
259.07571	23.4
259.14713	1.5
259.16800	2.3
277.04199	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0602
Annotation	Alternariol
Peak:m/z	Relative Intensity
54.01171	0.2
55.01869	1.2
65.03935	3.8
67.05520	0.2
68.99790	3.7
69.03449	0.2
69.49112	0.4
69.49535	0.8
78.00806	0.2
79.01835	0.3
79.05494	0.2
79.49173	0.2
81.03419	0.4
81.07068	0.3
91.05484	0.7
93.03408	0.6
93.07042	0.3
95.01293	0.2
95.04965	0.3
95.08638	0.3
97.06541	0.2
98.21488	0.4
103.05473	0.3
105.03339	0.3
105.07030	0.9
107.04983	1.1
107.08617	0.4
109.02865	0.5
110.03662	0.3
110.41132	0.2
111.00790	0.2
111.04430	0.5
115.05460	1.1
117.07027	0.7
119.04909	0.5
119.08517	0.2
119.38688	0.2
121.02870	18.8
123.04430	5.7
128.06206	1.7
129.07010	3.3
131.04901	0.4
133.06490	0.8
135.04419	0.6
137.02342	1.2
139.05424	1.8
141.07008	0.7
143.04901	0.9
145.06499	1.5
147.04424	2.1
147.08054	0.7
149.02342	100.0
150.03136	3.8
151.03880	0.5
157.06488	9.3
160.05203	1.1
161.06012	1.5
163.03896	1.6
163.07535	0.7
165.01862	0.4
167.03407	1.0
167.04942	1.1
168.05716	0.2
171.04460	0.9
173.05933	0.3
175.03955	0.3
175.07521	2.9
184.05104	0.6
185.05975	14.7
186.06465	0.3
187.07614	0.3
189.05501	1.0
195.05508	0.7
199.07362	0.2
203.07039	1.6
212.04669	0.3
213.05467	23.0
214.05849	0.3
215.07025	0.3
217.11218	0.2
230.06848	0.2
231.06520	70.9
232.06860	1.3
241.04955	7.5
242.05605	0.4
259.06015	47.4
260.06342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0603
Annotation	Alternariol
Peak:m/z	Relative Intensity
50.64720	0.2
55.01863	1.3
55.05505	0.6
64.04922	0.2
65.03934	3.5
67.05502	0.4
68.99783	3.6
69.03414	0.5
69.07063	1.1
70.06607	0.3
71.04979	0.3
71.51082	0.4
79.05496	1.1
81.03408	0.7
81.07055	0.5
81.27018	0.2
86.09725	0.6
89.03900	0.3
91.05491	1.2
93.03399	0.9
93.07039	0.3
95.01326	0.4
95.04951	0.5
95.08614	0.4
96.94671	0.2
97.06528	5.4
103.05462	0.5
105.07024	1.4
107.04951	1.5
107.08591	0.5
109.02887	0.7
110.03655	0.4
110.35093	0.3
111.04457	0.5
115.05449	1.3
117.03398	0.3
117.07008	1.0
118.06516	0.3
119.04937	0.4
119.08585	0.5
121.02869	19.6
123.04433	5.8
125.85747	0.3
128.06218	1.8
129.07007	2.7
131.04932	0.4
131.08636	0.4
133.02820	0.3
133.06512	0.8
135.04427	0.7
135.08113	0.3
137.02370	1.5
139.05423	2.2
141.06972	1.0
143.04912	0.8
144.08083	3.6
145.02831	0.7
145.06473	1.1
145.10057	0.3
147.04393	2.2
147.08061	1.2
149.02342	100.0
150.03149	3.7
151.03894	0.6
155.06052	0.4
157.06487	9.3
159.04434	0.5
160.05199	1.1
161.02341	1.5
161.05992	1.5
163.03909	4.1
163.07445	0.4
165.01816	0.3
167.03410	1.4
167.04930	1.1
171.04407	1.4
173.02361	2.1
173.05960	0.5
175.03899	0.5
175.07532	2.9
184.05179	0.7
185.05977	16.2
186.06433	0.3
187.03923	0.4
187.07565	0.6
189.05476	1.3
189.09137	0.4
193.03442	0.3
195.05656	0.5
195.08018	0.4
197.05965	0.3
201.05386	0.3
203.07054	1.8
207.02924	0.3
212.04608	0.3
213.05461	22.8
213.08957	0.7
214.05988	0.5
215.03526	0.2
215.07033	3.4
217.04982	0.3
231.06523	70.3
232.06883	0.8
241.04956	8.8
241.08627	0.5
242.05736	0.4
259.06015	52.2
259.09540	1.9
259.20493	0.6
260.06378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.03
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35004	1.0
55.01869	1.2
56.05038	1.2
56.96566	4.7
57.03436	1.1
58.24132	1.0
58.99868	5.9
60.05665	1.4
67.04234	1.2
69.03433	1.2
70.06586	4.2
70.99864	14.5
71.50591	1.7
72.08160	1.5
73.01427	2.1
77.00921	2.8
82.99840	8.2
84.04512	2.6
84.08150	5.0
85.02895	1.3
85.08469	1.9
89.00910	5.3
91.02446	3.3
93.34785	1.2
97.02894	1.8
98.97580	10.6
100.02207	27.5
100.07609	2.7
101.00887	56.3
102.00961	1.2
103.00642	2.1
103.02437	2.6
110.07140	1.1
113.00880	6.9
115.02460	8.3
116.98643	4.4
118.03239	1.9
119.01928	67.9
120.02052	1.9
121.01662	1.7
128.07065	1.5
129.03947	1.3
129.10246	2.6
130.05022	1.0
130.10638	1.8
131.01910	21.4
133.03476	41.4
137.02951	7.4
141.04007	1.3
143.01889	4.2
145.03499	3.3
146.02719	27.3
147.01405	1.4
147.05069	1.4
147.53380	1.1
149.02968	9.7
151.00711	1.5
151.04538	7.9
153.01822	1.2
155.01900	1.2
156.99820	14.2
157.03494	4.0
159.01416	2.2
159.05080	2.5
161.02940	13.5
161.04153	1.6
163.04483	2.3
169.01816	1.4
169.03488	5.3
171.01404	15.4
173.01372	1.2
173.02979	3.8
175.00890	66.8
175.11824	1.7
176.01082	1.2
177.01077	1.1
177.02469	5.1
177.06100	1.2
179.03978	1.5
185.02946	3.3
186.01443	1.0
187.04497	6.5
189.00745	2.3
189.02455	45.5
191.02437	1.2
191.04062	2.1
191.05759	1.4
193.01942	10.2
198.02484	1.8
199.00883	9.2
199.02359	3.2
199.04533	1.3
199.07413	1.7
203.03990	2.8
207.03407	1.6
213.02419	5.8
213.06970	5.8
213.14314	2.9
215.07819	1.6
217.01945	100.0
219.01926	1.4
231.03474	7.6
233.03407	1.4
235.03000	47.4
235.05336	2.5
236.06815	4.0
241.02003	3.4
241.09644	1.5
249.04659	1.4
254.07674	1.2
258.99896	2.7
259.04080	10.7
259.07361	5.3
259.10379	1.4
259.14777	4.0
259.17416	1.8
277.04309	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	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13886	0.2
55.05506	0.7
57.07080	11.7
58.06605	2.2
62.06096	7.9
67.05479	0.4
69.07067	0.3
71.08640	5.3
71.16703	0.4
71.17019	0.3
72.08147	0.8
79.05502	0.3
81.07049	0.2
81.39346	0.2
83.08625	0.3
85.10188	2.6
90.09187	0.4
91.05490	0.4
93.07070	0.2
105.07054	0.4
111.84579	0.2
117.07005	0.3
119.08569	0.3
121.10124	0.2
131.08583	0.5
133.10133	0.5
145.10133	0.5
147.11711	0.3
193.57295	0.2
240.18445	0.2
240.26871	4.6
258.27942	100.0
259.20602	0.7
259.28326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04804	14.4
64.04287	13.7
70.06599	58.2
71.48323	19.6
79.73878	14.4
82.99847	19.5
84.08145	61.8
85.02902	28.0
95.06110	29.6
100.07561	13.8
101.00892	99.7
108.36916	14.6
110.07144	39.5
115.02458	24.6
116.07073	22.0
119.01946	94.2
128.07056	36.8
128.50462	15.8
131.01936	35.9
133.03452	43.5
142.48430	14.6
143.01968	15.0
145.03418	17.0
146.02708	42.4
161.02957	18.9
171.01463	20.0
173.02975	19.2
175.00902	42.4
175.11917	21.1
189.02489	31.0
199.02228	31.0
199.04568	17.7
213.07384	18.5
213.14345	48.8
217.01982	65.6
218.13361	14.9
235.03072	34.8
236.06816	52.5
253.98816	15.4
254.61949	15.2
259.01727	19.4
259.04282	100.0
259.06659	25.6
259.15009	78.4
277.09424	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	258.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05037	2.6
56.96577	1.3
57.03450	0.8
57.59346	0.5
58.99849	0.6
60.99614	0.5
61.02930	1.1
64.17427	0.5
67.05516	0.5
68.53786	0.6
69.03442	1.8
69.07077	0.6
70.06595	1.6
70.99859	2.0
71.15621	1.0
73.02922	0.9
73.38107	0.5
73.88361	0.5
77.00903	0.5
81.03421	0.7
81.04547	0.7
82.01449	0.5
82.05331	0.8
82.99854	0.9
83.06110	2.4
83.34066	0.5
84.01220	1.1
84.04510	23.1
84.08147	95.5
85.01411	0.8
85.02916	2.1
85.06540	1.4
85.08472	0.8
89.00900	0.7
93.04546	1.1
95.06080	4.6
96.04511	1.3
97.01449	0.5
97.02923	1.0
98.97594	1.2
100.00103	0.7
100.02194	7.4
101.00888	6.7
101.02721	0.6
101.10802	2.0
102.00959	0.6
102.02263	0.8
102.05550	0.6
103.00659	2.5
103.01303	0.6
103.02401	0.8
109.07684	0.8
109.84155	0.5
110.07178	9.7
111.05550	0.7
111.09200	1.6
112.05082	0.8
112.11229	0.6
113.00902	1.5
115.02439	1.9
119.01927	8.8
119.03743	1.7
120.02003	1.0
121.01658	3.7
124.08736	0.7
125.07120	0.9
127.02363	0.6
129.03989	0.7
129.10246	100.0
130.05008	6.0
130.10635	0.6
131.01939	2.6
133.03448	3.2
137.04761	0.7
137.05923	0.6
138.01610	0.5
139.02617	1.0
139.03960	1.0
141.03883	0.5
142.01100	1.7
142.05284	0.9
143.01886	1.0
144.02693	1.2
145.01640	1.3
145.03439	2.6
146.02711	9.2
146.03757	0.8
147.03242	1.0
149.03011	0.6
149.10666	0.7
153.01869	0.8
155.01918	0.8
156.02699	2.3
157.03513	3.1
159.01440	0.8
159.05038	1.1
160.02203	0.8
160.06416	0.5
161.02971	2.3
163.02710	1.0
163.86562	0.6
167.01950	0.7
169.03520	1.4
170.04814	0.7
171.01402	0.9
171.05013	1.0
173.06279	0.5
175.00890	4.0
175.04570	1.1
184.02208	1.7
185.02913	1.4
186.01920	0.7
186.04367	1.2
186.06230	0.6
187.02946	0.6
187.04553	1.5
189.02484	1.9
193.02068	0.8
195.11284	3.6
198.02478	1.3
199.04512	1.4
203.00424	0.7
204.07182	0.5
212.02173	0.7
212.04005	0.6
212.13951	10.4
213.07025	1.7
217.01918	2.8
217.03745	1.5
217.05582	1.1
221.05116	0.8
223.10667	0.8
226.01878	1.9
235.02922	2.1
235.06680	11.3
240.13545	3.0
241.11836	1.0
253.07707	5.8
258.04968	0.5
258.08234	3.3
258.11563	1.2
258.14487	19.9
258.17978	1.6
259.04413	0.7
259.07446	1.4
276.09348	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	258.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01868	4.1
55.05515	39.3
56.05026	0.8
58.99586	0.9
60.04534	8.5
67.05492	0.9
69.07075	10.4
70.02953	5.9
71.51006	1.0
71.80198	0.7
79.05502	4.1
81.07055	2.1
83.08620	40.1
85.01136	5.0
86.00643	1.3
88.03995	49.0
93.07009	1.3
94.06599	0.7
95.04996	0.8
95.08614	1.1
97.02900	0.8
97.06535	8.5
98.09685	1.5
102.05546	90.3
105.93614	0.7
110.09696	1.1
111.08082	5.2
112.03930	0.9
113.02367	1.1
113.04234	5.0
116.01633	0.9
122.09756	0.8
123.10381	0.8
130.05016	4.9
135.04396	1.3
138.09129	1.6
148.06053	100.0
156.08368	3.4
156.10243	2.4
161.02338	1.4
163.03915	3.8
163.07584	0.8
173.02370	3.2
180.10199	13.5
198.11278	4.1
212.12778	7.9
215.07059	4.9
220.92136	0.7
226.10890	1.2
234.98955	1.5
240.12349	2.5
257.89410	0.8
258.13394	47.3
259.11295	1.3
268.81110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38894	0.7
53.03943	1.2
55.01875	1.3
55.05501	3.1
57.03412	0.9
57.07064	2.2
64.50701	0.7
67.05171	1.0
67.05508	10.1
68.55460	0.7
69.03423	1.1
69.07085	4.9
70.06580	0.9
71.04993	2.5
71.51544	1.1
79.05489	9.2
81.07072	9.1
83.05002	1.2
83.08636	1.9
85.06541	2.2
88.07646	1.9
91.05486	11.1
93.06490	1.0
93.07050	17.2
95.04994	3.9
95.08614	10.6
97.06527	2.3
98.29671	0.8
99.08080	0.9
99.88799	0.8
103.05458	2.8
105.07043	28.7
107.08614	16.6
109.06539	3.7
109.10164	11.9
110.01754	0.7
111.08081	1.9
115.05493	1.8
117.07037	7.2
119.08594	22.3
119.09453	1.2
121.06557	1.4
121.10157	100.0
122.10503	1.0
123.08074	5.3
123.11728	1.3
128.06219	3.5
129.07019	4.8
130.07805	0.9
131.08591	12.9
133.07629	2.2
133.10149	9.4
135.08067	20.0
135.11687	2.9
137.09622	4.8
141.07008	2.6
142.07791	4.6
143.08575	19.9
144.09335	2.4
145.10136	18.0
145.11276	1.0
147.11702	2.4
149.09625	5.8
151.11220	2.5
155.08591	4.2
156.09349	3.0
156.22488	0.8
157.10149	21.2
158.10823	1.5
159.08044	1.3
159.11714	12.0
160.12555	0.7
161.09654	2.3
161.13301	1.5
163.11177	4.0
167.08569	1.2
168.09340	1.7
169.10135	10.9
170.10941	1.5
171.11705	10.0
173.09677	2.4
173.13287	15.6
175.11220	1.4
177.12767	2.3
183.11725	7.6
184.12540	1.4
185.13309	1.5
187.11269	3.9
187.14833	3.0
189.12740	1.6
195.11749	1.1
196.12401	1.0
197.13281	7.6
199.14835	35.5
201.12801	4.6
201.95705	0.7
209.13258	1.1
210.14037	1.0
211.14825	1.6
213.16411	11.6
214.17125	2.5
215.14400	1.6
215.17990	6.2
224.15811	0.8
239.17987	14.0
257.19043	96.2
257.26660	9.8
257.30106	1.4
258.19382	1.7
258.28119	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03937	1.4
55.05515	5.2
57.07064	1.7
59.14295	0.9
67.04928	1.0
67.05503	8.1
69.07064	4.8
69.16846	1.5
69.17248	8.5
71.04982	4.2
77.57796	0.9
77.88891	1.0
79.05500	7.1
81.07072	6.6
83.04974	1.0
83.08612	2.9
85.06538	3.9
91.05489	9.3
93.07056	16.6
93.22814	1.0
95.04963	3.5
95.08620	11.1
97.06518	1.4
97.10150	1.0
99.08093	1.1
103.05473	1.5
105.07038	30.3
107.08609	16.2
109.06530	6.7
109.10169	12.8
110.13712	0.9
111.08072	3.3
112.76809	0.8
115.05436	2.0
117.07037	4.6
118.82697	1.0
119.08585	25.0
121.06538	1.3
121.10155	91.1
123.08068	3.3
123.11720	2.1
128.06215	4.0
129.06995	5.5
131.08594	14.2
133.07628	2.7
133.10130	10.0
134.48743	0.9
135.08067	17.6
135.11690	3.8
137.09636	5.2
141.07008	2.8
142.07799	4.8
143.08580	19.1
144.09334	3.2
145.10144	20.0
147.11668	3.9
149.09627	7.3
151.11185	2.1
155.08527	4.9
156.09370	5.7
157.10147	25.0
158.10928	3.4
159.08080	1.3
159.11699	21.3
161.09654	2.1
161.13274	2.4
163.11217	4.2
169.10167	10.5
170.10919	2.2
171.11708	14.3
173.09657	3.4
173.13277	21.7
174.13910	2.5
175.11197	1.3
175.14934	2.3
177.12794	1.7
182.11064	1.1
183.11716	12.0
184.12523	3.9
185.13287	2.7
187.11212	6.4
187.14819	5.2
189.12788	2.3
195.11842	1.1
196.12424	2.3
197.13304	9.8
199.14838	40.3
201.12758	9.0
209.13240	1.8
210.14034	1.5
211.14828	1.6
213.16403	12.5
214.17195	3.5
215.14316	2.5
215.17963	7.8
224.15611	1.8
239.17981	13.7
257.19037	100.0
257.26669	3.3
258.19302	2.2
258.28009	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50335	0.8
53.03946	0.9
55.01861	2.8
55.91431	0.7
57.03447	5.8
57.41949	0.8
61.01773	0.7
67.05516	1.0
68.99759	0.8
71.06034	1.9
75.04482	2.1
79.05500	4.6
79.93425	0.7
80.05004	1.0
81.07037	1.8
91.05479	2.5
94.04189	1.6
95.04981	1.2
95.08617	1.7
103.05460	3.3
105.07034	34.1
107.04956	25.7
107.05567	0.6
109.06496	1.5
111.00739	0.9
115.05458	1.2
117.07051	0.8
122.03674	4.3
123.04480	1.1
124.05195	1.0
126.83678	0.7
131.04897	2.4
133.06494	47.0
133.10149	0.8
135.04404	1.0
135.08173	0.8
137.05981	100.0
151.07581	1.5
157.44060	0.8
163.03917	0.9
163.07539	3.1
165.09122	24.3
175.07562	3.8
181.08675	1.8
183.10127	3.8
203.03473	1.7
203.10664	1.7
211.07419	0.9
221.11725	1.8
229.05075	1.2
239.12671	0.9
257.04474	3.0
257.08017	5.7
257.12570	1.0
277.95047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67377	0.6
55.01868	2.6
57.03431	5.8
69.48023	4.6
75.04478	2.1
79.05519	4.0
87.61591	0.7
91.05467	2.2
94.04176	1.1
98.21494	1.3
103.05466	2.6
105.07032	32.2
106.07340	1.0
107.04959	4.9
109.06526	1.2
115.05466	1.7
117.07061	1.1
119.08517	0.6
122.03669	3.6
122.04406	0.7
131.04939	0.8
133.06499	46.0
134.06775	0.8
137.05984	100.0
145.06558	0.7
163.07535	3.7
165.09129	22.1
175.07637	3.2
177.09111	1.4
181.08618	2.0
183.10182	3.4
189.05455	0.9
201.05476	2.4
203.03412	4.7
203.10652	1.6
209.11626	0.9
221.11674	1.7
223.38023	0.7
229.05057	3.3
239.12761	1.5
257.04459	5.2
257.07895	1.0
273.73291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01859	2.8
56.96558	1.2
57.03436	7.4
63.34481	0.7
68.54159	0.7
68.99780	0.7
70.06618	0.8
75.04475	2.1
79.05495	4.9
81.07082	0.8
91.05473	2.6
94.04171	2.0
95.08582	0.7
103.05490	3.9
105.07035	33.9
107.04963	20.7
109.06503	1.3
115.05430	1.0
122.03677	3.9
124.05196	1.1
131.04912	1.4
133.06496	53.4
135.04411	1.4
137.05983	100.0
138.06288	0.9
152.50372	0.7
163.03946	1.3
163.07520	4.0
165.09126	24.2
167.00143	1.2
173.06071	1.0
175.07571	2.6
177.09105	1.2
181.08641	1.7
183.08394	1.1
183.10188	4.7
185.01309	1.5
201.05536	1.6
203.03394	3.2
203.10707	2.1
209.44441	0.7
211.07541	0.7
221.11745	2.3
229.04900	3.4
239.12813	1.1
257.04483	5.5
257.07974	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	256.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88313	1.5
57.03434	2.7
57.69424	1.3
58.99864	24.5
64.38854	1.5
69.03428	2.6
70.06597	1.6
70.99886	1.6
73.02898	3.6
77.00901	6.3
82.00980	2.9
82.01445	33.5
82.06560	4.7
82.99828	3.1
83.06081	4.2
84.08136	2.5
85.01418	7.8
85.02904	7.1
85.32991	1.8
94.64738	1.6
95.53757	1.4
97.01398	5.1
97.02860	4.0
99.02348	2.8
99.02956	35.0
100.02487	47.3
100.07655	8.1
101.00885	38.1
101.02394	1.5
103.02446	10.4
113.00856	3.7
114.05554	7.2
115.02443	16.7
115.03814	1.6
117.03999	100.0
118.03502	9.9
119.01922	84.9
121.03467	3.1
124.03951	4.9
125.00842	10.0
126.98823	2.5
127.02435	20.8
127.03901	3.5
127.04991	3.7
128.07037	2.8
129.00395	2.0
130.56989	1.6
131.01891	6.2
133.03450	8.1
135.05045	43.3
136.05238	2.0
137.02974	14.8
138.01067	1.7
140.05568	42.6
142.03520	3.6
143.01895	38.6
144.99832	5.6
145.03462	62.1
145.99886	1.7
146.03050	2.1
146.08131	13.8
147.01364	10.6
150.03964	7.9
150.06607	3.1
153.00275	2.1
154.03543	1.6
155.01918	2.8
155.08156	13.1
158.06642	32.9
160.04491	3.6
161.02960	32.8
163.04529	22.5
164.08217	3.0
166.03511	22.5
168.05070	36.5
168.99767	1.7
170.03006	11.5
171.01389	24.4
172.99292	4.9
173.02992	3.2
175.04381	1.9
184.02956	3.3
184.04565	59.2
185.02943	4.9
186.06210	8.4
187.00894	8.7
188.04086	1.9
189.02449	42.3
191.00421	1.7
192.01393	3.5
194.02997	12.9
196.00946	2.4
196.07129	5.9
197.02922	2.4
203.04062	2.3
205.01990	5.5
207.03493	15.6
210.02496	32.1
210.06108	3.2
210.08763	3.6
212.04044	28.3
214.02031	3.0
215.00352	7.2
215.03909	7.0
227.03993	1.6
228.03616	7.1
228.07170	5.5
230.05061	10.1
233.01447	25.3
233.05106	6.2
234.89671	1.6
238.01993	2.3
245.05028	6.5
246.05447	2.1
251.02486	31.0
256.03033	35.3
256.06528	5.2
256.09329	8.0
256.12915	4.1
257.05106	2.0
270.84689	1.7
274.04083	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	255.1744
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.05498	2.1
56.96566	1.8
57.07059	1.5
65.03928	1.1
67.05492	3.0
69.07078	5.1
71.04984	2.5
79.05489	5.5
81.07051	5.0
83.04992	1.3
85.06558	1.5
91.05503	6.2
93.07041	14.8
95.08592	3.1
97.06533	8.4
97.10123	1.1
98.98469	19.1
103.05450	1.1
105.07026	12.3
107.08598	5.6
109.06510	9.2
109.10167	2.1
111.08053	1.8
115.05496	1.3
117.07021	3.3
119.08601	10.7
121.10122	5.6
123.08061	1.5
128.06216	3.0
129.06985	4.8
131.08562	5.3
133.06480	7.6
133.10126	6.7
133.11050	1.5
135.08090	9.5
135.11684	1.8
139.03922	3.3
140.04259	1.4
141.07007	6.1
142.07765	5.2
143.08565	14.5
144.09329	1.3
145.10107	4.6
147.08017	1.4
149.09621	2.5
153.07024	1.8
154.07788	2.2
155.08562	11.3
156.09317	7.7
157.10144	16.8
159.08084	1.1
159.11633	4.6
161.09576	2.7
165.06972	3.2
166.07704	1.2
167.08582	7.1
168.09352	2.3
169.10121	24.7
170.10907	5.1
171.11668	12.7
173.09634	1.9
173.13333	1.6
175.11142	1.4
179.08545	3.4
180.09326	3.4
181.10129	8.1
182.10925	17.1
183.11691	7.5
184.08885	1.8
185.09625	2.3
185.13232	7.1
187.11169	1.2
193.10144	2.8
194.10864	1.4
195.11653	9.0
196.12471	6.7
197.13260	57.3
198.10423	1.0
198.14017	3.7
199.11150	10.7
207.11687	6.0
208.12489	2.1
209.13271	4.9
211.14824	27.5
212.15567	9.5
212.42172	0.9
213.12952	4.8
213.16360	24.0
222.14111	5.0
225.12773	2.4
237.16394	12.5
240.15044	2.7
255.06487	2.6
255.17447	100.0
256.17773	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	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.4
55.01854	4.7
55.05516	28.3
57.03444	49.5
57.07061	4.8
61.92072	1.4
65.03922	2.2
67.05509	79.7
69.03403	2.8
69.06734	1.9
69.07072	26.9
69.34553	4.7
69.34983	7.4
71.01334	3.8
71.04977	8.0
79.05498	81.2
79.12795	1.4
80.05782	1.3
80.93637	1.4
81.03423	11.8
81.07064	38.9
83.04984	24.1
83.08587	4.7
85.06551	8.5
91.05487	35.1
91.71431	1.5
93.07050	81.7
95.04972	10.4
95.08624	12.4
97.06530	23.7
97.09660	1.5
97.10172	17.2
98.78994	1.6
98.98471	53.0
99.04417	3.4
99.08065	3.1
100.98862	2.3
103.05502	1.5
105.04506	1.7
105.07043	7.4
106.07345	1.7
107.04936	3.5
107.08604	57.2
109.06523	3.6
109.10165	11.8
111.04395	1.6
111.08045	4.4
111.11678	2.1
113.05894	1.5
117.07062	8.3
119.08586	10.0
121.06470	2.7
121.10151	12.3
124.39228	1.4
125.09601	4.3
129.07014	2.5
130.07799	2.0
131.08511	1.9
133.10069	4.6
135.08020	2.8
135.11699	100.0
137.09586	2.7
141.06927	1.7
143.08511	5.5
145.10146	17.5
151.11131	1.9
153.12704	3.7
157.10101	2.0
163.11177	13.2
167.08527	1.7
171.11728	2.0
176.98976	1.7
181.12250	13.9
185.09692	2.0
195.06425	2.1
195.11638	1.5
199.11166	1.9
255.10069	2.2
255.15807	49.6
255.20404	2.6
255.21043	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01878	4.0
55.05516	27.9
55.05768	3.6
57.03440	52.7
57.07074	10.5
61.36221	1.7
65.03938	3.6
67.05508	91.3
69.03413	2.3
69.07071	22.9
71.01349	6.4
71.04989	6.7
76.83223	1.7
79.05495	74.1
81.03404	10.3
81.07060	40.7
83.04974	24.2
83.08636	8.7
85.06538	4.4
86.06080	1.7
88.07613	2.0
91.05492	30.0
93.07046	85.8
95.04971	6.4
95.08607	15.8
97.06539	23.8
97.10186	17.3
98.98473	47.7
99.08092	3.5
100.07612	2.0
105.07027	5.8
107.04961	2.5
107.08603	57.0
109.10168	10.5
111.04340	1.9
111.08072	4.9
117.07006	7.2
119.08595	8.9
121.06491	1.7
121.10166	9.6
122.10467	1.9
125.02332	3.3
125.09631	5.8
130.07762	1.9
133.10133	5.3
135.11700	100.0
137.09644	3.4
143.08533	2.5
145.10132	18.3
153.12758	3.4
157.10159	2.5
163.11151	13.8
176.98906	1.6
181.08614	3.0
181.12202	13.9
199.09625	6.3
199.11301	1.6
199.13182	1.7
229.07362	1.7
255.15820	48.2
255.20720	2.4
255.25089	4.1
256.26300	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	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66973	1.6
51.02351	1.7
53.03935	5.7
54.24640	2.0
55.01865	3.8
55.05277	2.3
55.05513	32.3
57.03441	59.5
57.07062	6.4
59.68767	1.6
59.91314	1.7
63.29992	2.0
65.03927	2.2
67.05511	90.8
69.06743	2.3
69.07075	24.5
70.06558	2.4
71.01346	5.0
71.04974	7.6
79.05497	79.5
81.03427	10.5
81.07065	43.3
83.04992	24.5
83.08607	7.6
85.02877	1.8
85.06525	7.6
89.28014	1.9
91.05488	31.8
92.83259	1.6
93.07050	85.4
95.04970	7.4
95.08607	9.9
95.83469	1.9
97.06534	25.8
97.10173	18.6
98.98470	25.8
99.04425	2.1
99.08095	5.4
100.98874	2.5
105.04520	1.9
105.07005	6.9
107.04969	2.9
107.07892	3.3
107.08598	55.3
109.10148	11.9
111.08068	4.3
115.05464	2.7
117.07025	9.4
119.08586	9.9
121.06519	2.5
121.10142	13.9
124.39660	1.7
125.09625	5.5
126.97145	2.0
130.07704	2.3
133.10127	5.7
135.08104	2.6
135.11705	100.0
137.09621	3.5
143.08521	2.3
145.10144	19.4
153.12787	2.0
163.11214	12.2
181.12250	17.8
233.80127	1.8
255.15878	61.3
256.26410	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	255.1593
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03943	5.6
55.01873	3.3
55.05515	32.2
57.03442	53.2
57.07062	5.5
67.05510	84.7
69.07075	32.0
69.76363	4.4
69.76775	6.1
71.01357	6.5
71.04999	5.7
79.05501	85.7
81.03419	13.6
81.07061	38.5
83.04990	30.5
83.08615	8.4
85.06541	7.5
91.05491	37.7
92.72345	1.6
93.07053	80.5
95.04978	7.5
95.08607	17.6
97.06543	24.9
97.10205	13.9
98.98482	37.3
99.04480	2.4
99.08092	4.0
105.04542	2.0
105.07021	6.5
107.04956	4.0
107.08604	56.6
109.06508	3.8
109.10165	9.6
111.08109	4.4
111.11727	4.3
117.07028	10.5
119.08617	10.5
121.10159	13.8
125.09648	4.8
133.10153	6.0
135.11703	100.0
135.50549	1.7
136.12064	1.8
137.09598	3.1
145.10100	17.3
163.11217	12.6
176.98883	2.0
181.12274	15.3
201.80920	1.8
255.06398	2.5
255.15834	48.6
255.21358	2.4
271.93924	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	255.1593
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.40060	1.4
50.78178	1.2
53.03935	6.2
55.01864	5.5
55.05517	28.4
57.03444	54.4
57.07075	6.5
60.34854	1.4
65.03934	2.4
67.05511	90.9
68.90037	1.1
69.03435	2.0
69.06735	1.9
69.07074	28.5
70.06599	1.5
71.01358	6.9
71.04996	8.0
71.15878	2.1
75.99117	1.3
79.05500	81.7
79.85181	1.3
81.03421	8.6
81.07065	36.5
83.04988	25.5
83.08635	7.2
85.02854	1.4
85.06529	4.4
86.06078	2.0
91.05492	29.6
93.07052	84.2
95.04974	7.2
95.08615	13.2
97.06544	19.8
97.10171	17.2
98.98470	16.1
99.04487	1.3
99.08077	4.0
100.07623	2.9
105.04514	2.2
105.07043	9.0
107.04937	2.4
107.08601	51.4
109.06519	1.9
109.10162	8.9
111.08054	2.9
111.11726	2.0
117.07022	7.2
119.08582	10.9
121.06496	2.6
121.10154	10.5
123.11649	1.7
125.09614	4.2
130.07803	1.3
133.10124	6.0
135.08096	2.3
135.11705	100.0
137.09598	4.4
143.08565	1.9
144.08070	1.9
145.10129	18.1
153.12744	3.5
163.11206	16.2
175.27351	1.3
181.12259	14.9
255.15906	59.3
255.25114	16.9
256.26382	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	255.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13510	0.9
53.03936	3.6
55.01865	0.9
67.05505	1.7
68.05029	6.3
68.99795	2.9
69.07075	31.9
70.06599	0.9
71.51132	1.5
72.08192	1.9
76.33337	0.9
79.05501	2.1
81.03450	1.0
81.07046	1.8
83.04967	1.1
83.08620	1.1
91.05493	1.8
93.07044	1.4
95.06094	7.0
95.08636	1.3
96.04499	82.7
97.02891	1.5
97.06542	8.2
98.98470	17.6
100.98875	1.1
107.01813	1.0
113.07138	19.5
114.05531	2.7
114.08424	1.2
114.09185	20.2
121.03969	1.8
121.06507	5.1
122.06844	4.9
123.04513	1.3
131.04912	1.2
131.08626	1.1
137.05986	1.2
139.03920	1.3
141.05521	1.5
141.06566	10.5
142.05009	100.0
153.07030	1.6
157.06551	1.3
159.07658	35.0
164.10733	1.6
181.06485	2.7
185.06021	1.9
187.07549	1.0
187.30461	1.0
192.10165	3.5
193.14227	4.2
195.06543	3.1
199.07516	1.7
202.66875	0.9
209.05966	2.9
209.12904	3.4
210.11244	1.9
213.05487	1.6
227.07117	3.4
237.05557	2.0
237.12402	1.7
238.10738	13.7
255.06573	14.6
255.13434	35.5
255.17816	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91386	2.2
53.03947	8.3
55.01881	6.4
55.05519	27.0
57.03447	51.5
57.07075	6.1
64.88453	2.5
67.05180	4.9
67.05515	80.3
69.07079	23.5
71.01357	3.1
71.05000	5.7
71.50397	2.9
79.05070	5.2
79.05506	72.4
81.03428	8.5
81.07072	35.7
81.87230	2.9
83.04976	25.4
83.08635	7.2
85.06551	9.1
90.54841	2.4
91.05502	30.6
93.07056	76.2
95.04974	6.9
95.08615	13.0
97.06555	24.1
97.10207	15.4
98.98486	32.5
99.08090	5.5
105.07027	6.6
107.08609	53.4
109.10161	10.7
111.08117	3.7
112.81697	2.8
117.07048	10.1
119.08595	12.0
121.10167	13.6
123.60970	2.8
133.10155	7.2
135.11716	100.0
144.47629	3.4
145.10155	19.4
153.12813	6.8
157.10089	3.2
158.92392	2.4
163.11131	13.5
165.70866	2.7
171.11696	3.0
181.10847	2.9
181.12230	17.7
200.11537	3.0
209.11819	5.5
255.15868	45.4
255.23294	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	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18085	6.4
50.76289	6.2
58.99863	10.7
70.03282	32.2
82.06625	7.7
84.56156	5.8
85.02883	8.6
98.98474	42.5
99.02975	13.4
100.02494	12.2
101.00912	18.9
107.79871	7.3
109.07677	7.6
115.02415	12.1
117.04012	26.1
119.01900	30.3
123.05569	100.0
129.04015	7.5
135.05069	14.3
137.02933	7.9
140.05634	15.3
143.01888	18.3
144.99817	17.6
145.03482	26.8
158.06772	7.7
159.01425	8.8
161.03009	13.4
166.03543	8.0
168.05147	6.9
169.03575	7.8
175.23854	6.9
177.02348	8.0
184.04515	13.6
187.04472	8.9
195.65573	7.8
210.02466	7.9
212.04050	7.5
216.35190	7.5
251.02516	7.2
255.06459	10.5
256.03061	7.8
274.04147	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	254.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03948	2.0
55.01870	0.4
55.05486	0.2
57.03427	0.4
59.03677	0.2
59.65260	0.2
69.29677	0.9
69.30100	1.0
72.04521	0.4
77.03928	0.6
79.05483	0.5
81.03404	0.3
81.07031	0.4
85.02907	0.4
91.04907	0.4
91.05484	9.2
93.07049	16.2
95.04964	2.0
98.98468	1.9
103.05473	12.8
105.04512	1.0
105.07004	0.3
107.08593	0.3
117.06986	0.4
118.06532	1.4
119.07325	1.6
121.06509	100.0
122.06851	1.0
122.09647	0.4
134.09659	49.5
135.10010	0.4
150.12769	0.2
152.94975	0.2
166.68176	0.2
176.01459	0.2
178.37503	0.2
206.39569	0.3
208.04286	0.4
210.14877	4.5
211.15283	0.2
254.15408	43.2
254.17525	1.7
255.15796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01879	0.5
55.05502	1.4
56.05028	0.4
56.96552	0.4
57.03450	0.4
58.02951	1.2
59.76999	0.3
60.04511	0.7
65.06639	0.3
67.05495	1.4
68.05017	0.4
69.03426	0.3
69.07079	1.6
70.06585	0.4
71.50907	0.5
76.03989	0.3
79.05493	3.0
80.05013	1.2
81.03433	0.7
81.07063	2.4
82.06577	0.6
83.04964	0.3
83.08606	0.7
84.08112	0.4
86.02422	0.4
86.06085	0.4
88.03985	1.4
91.05484	0.8
93.07047	5.7
94.06570	1.5
95.04974	0.5
95.08618	1.3
96.08160	0.4
98.98474	5.4
100.07629	0.4
105.07034	1.1
106.02955	0.5
106.06566	0.3
107.08610	2.2
108.08128	3.9
109.06529	0.5
109.08906	0.5
109.10162	0.6
110.06050	0.4
110.09692	0.6
113.35155	0.3
114.05521	0.8
119.08589	0.6
120.08100	0.3
121.06509	1.0
121.08938	0.4
121.10130	0.7
122.06846	0.3
122.09680	5.5
123.10416	0.8
126.05538	0.8
128.07085	0.4
134.02373	0.8
135.10756	0.5
135.11700	2.8
136.00323	0.5
136.11209	2.9
137.13242	0.4
138.05469	1.8
140.07048	0.4
142.08633	1.2
143.91899	0.4
150.12787	3.9
151.02654	0.7
151.13577	2.9
152.07082	1.1
153.07835	0.9
154.08578	1.5
156.06509	0.8
156.10181	1.1
164.14374	6.9
166.05043	2.3
166.08673	2.6
167.09421	0.6
168.10254	2.1
180.10207	4.1
181.10916	1.5
181.60762	0.3
182.11813	1.0
191.07135	0.4
194.04500	2.9
208.09641	0.4
208.13197	2.0
210.14906	100.0
211.15211	1.2
212.16458	5.6
236.16486	0.4
254.17532	40.1
255.06461	0.4
255.17737	0.8
272.61478	0.3
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
56.18144	2.2
61.02921	9.0
65.65526	2.4
66.16580	2.4
70.79693	5.3
71.01363	7.1
75.04475	13.6
87.04449	5.3
89.02382	2.9
98.98468	10.2
103.03941	23.4
111.10944	2.3
125.06490	2.2
131.03392	6.1
159.02904	54.5
187.02382	3.0
219.05016	100.0
239.68648	2.4
254.17354	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94285	2.3
59.54716	1.8
61.02920	6.3
61.18092	2.3
71.01344	5.9
71.24173	4.1
74.02436	3.3
74.20657	2.1
75.04480	17.1
87.04428	5.8
89.02377	3.5
98.98462	7.5
103.03954	20.9
121.02843	5.1
128.42967	2.2
131.03380	5.0
135.08011	2.2
146.09624	2.1
159.02902	45.8
163.26216	2.0
187.02402	6.8
200.86198	2.1
208.09682	2.8
210.14917	4.3
219.05006	100.0
254.17430	4.2
262.42111	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	254.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.0
56.05022	0.8
56.96547	0.8
57.03415	1.8
68.05006	1.4
69.03422	1.6
70.06604	3.5
70.75467	1.7
77.70380	0.6
79.05499	4.2
80.60188	0.7
81.04537	2.0
81.07063	16.3
81.72025	0.7
82.05315	3.1
83.05647	1.0
83.06108	17.8
84.08116	1.5
85.02895	2.1
86.03205	0.8
91.86794	0.7
93.04523	12.4
95.06091	25.4
96.04498	0.7
98.06049	5.0
98.98467	5.0
101.00850	1.9
107.06059	2.1
110.07173	85.8
111.05556	3.5
112.07576	3.3
112.08700	2.3
119.01882	2.8
119.04948	1.1
120.08083	0.9
121.06541	0.6
121.07591	2.0
121.08411	1.0
123.04416	1.3
123.05493	1.6
125.07085	2.2
127.03851	0.9
129.12250	0.7
136.07645	0.9
140.05551	1.2
143.01924	0.8
145.03429	1.8
146.09512	1.0
147.04886	0.7
151.04141	0.8
151.12288	1.1
153.01834	1.0
153.05449	1.0
156.07683	3.7
158.06679	4.0
159.04898	1.0
163.12312	45.4
167.11787	2.9
169.03452	1.1
170.06665	1.3
176.07622	1.2
180.12527	1.7
181.13309	2.0
185.02898	1.2
185.06648	1.0
188.07684	2.0
190.11879	1.2
190.13417	19.0
192.10167	2.0
193.13380	4.2
194.12776	1.0
195.06624	0.9
195.11288	14.7
198.06061	0.9
205.05507	1.0
208.14471	58.4
209.12828	3.0
209.14601	0.8
210.16014	0.9
211.04236	0.9
213.07883	1.7
219.11302	1.2
231.03470	1.8
236.13872	2.3
254.08881	2.4
254.14966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
65.03945	3.4
67.05520	0.4
70.02978	1.3
70.06599	0.5
70.28493	0.2
71.04975	0.2
71.50313	0.4
73.23834	0.2
74.02433	0.9
79.05499	0.7
81.07057	0.5
83.04958	0.3
85.02889	0.4
88.04001	1.8
91.05515	0.4
93.03413	1.0
95.01305	0.3
95.04974	0.7
96.04504	0.8
97.04819	0.5
98.03664	0.3
98.97749	0.3
98.98479	6.2
110.07202	0.3
111.04455	0.7
111.65531	0.2
116.03474	0.4
121.02881	100.0
122.03186	0.7
122.06029	0.3
123.04406	0.3
124.03971	0.8
124.07616	0.3
125.04330	0.6
134.04526	2.7
137.06004	0.6
138.05563	0.3
139.03929	0.5
150.05534	0.3
152.05675	0.4
162.09164	0.3
177.16328	0.3
180.06546	0.4
180.10188	0.3
190.08661	0.4
208.09796	0.5
210.14970	1.3
218.08325	0.3
236.05634	1.1
254.06638	0.8
254.10245	1.6
254.17593	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	253.2164
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03936	1.0
55.01863	1.6
55.05514	18.2
56.96543	0.7
57.03428	1.2
57.07071	4.6
66.13406	0.5
67.05508	21.9
69.03426	1.6
69.07072	27.5
71.04992	3.5
71.08633	1.3
71.51334	0.7
79.05503	8.9
80.62118	0.5
81.03419	1.0
81.07059	29.1
83.04986	3.0
83.08622	16.3
83.09126	0.9
85.06532	3.0
85.10188	0.7
91.05489	10.4
93.07045	12.7
95.04960	1.2
95.08613	24.2
97.02875	0.8
97.06541	4.3
97.10174	12.2
98.98470	100.0
99.04513	0.7
99.08094	2.5
100.98910	1.5
101.06078	0.7
101.09609	0.5
105.07043	9.6
107.04944	0.7
107.08596	10.4
109.06528	1.6
109.10165	15.1
111.08108	2.8
111.11718	5.1
113.09636	1.1
113.34337	0.5
115.07593	0.6
116.99528	1.7
119.08593	8.6
121.10152	9.8
123.08071	1.7
123.11709	5.6
125.09639	1.9
125.13290	2.0
127.07536	0.9
131.08583	1.1
133.10139	13.5
135.11702	10.1
137.09621	2.9
137.13263	2.9
139.11205	2.2
141.09077	1.0
143.08580	0.9
147.11690	6.1
149.09575	0.7
149.13295	2.4
151.11198	3.8
151.14853	1.9
153.12752	2.4
157.12306	0.6
159.11795	0.6
161.09671	2.6
161.13274	5.0
165.07024	1.2
165.12750	2.1
167.10698	1.1
174.99225	2.0
175.14870	2.6
176.99010	1.2
179.10707	1.3
179.14357	1.5
181.06560	0.5
183.11748	0.7
189.16408	1.2
191.17955	1.0
193.06587	1.1
193.19589	2.1
197.11783	1.1
209.22360	0.6
217.16127	0.8
217.19525	9.9
221.06075	0.8
224.09549	0.8
235.20592	6.6
253.08664	1.8
253.12218	0.6
253.14374	7.5
253.19662	0.9
253.21729	6.2
254.15721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
50.04416	0.6
53.03952	2.4
55.01874	6.9
55.05516	6.4
57.03439	3.3
57.07067	1.4
64.57607	0.6
65.03954	0.6
66.50617	0.5
67.05508	29.0
69.03439	3.4
69.07070	7.2
71.04991	2.4
72.36590	0.6
73.06571	0.8
79.05496	11.7
81.03419	4.4
81.07060	26.2
83.04984	6.0
83.08627	1.9
83.38463	0.6
85.02938	0.8
85.06544	2.8
91.05487	25.6
93.07047	8.3
95.04962	4.6
95.08596	5.6
97.06543	2.5
97.10151	0.7
98.21153	3.7
98.98472	100.0
99.04469	1.9
100.98904	1.0
105.07040	22.0
107.04941	1.3
107.08598	16.6
109.06545	3.3
109.10164	32.4
111.04468	0.7
113.06015	1.4
115.07521	0.8
116.99516	1.5
117.07059	1.8
119.08600	2.5
123.04485	0.6
123.08108	1.0
123.11711	5.3
127.07567	1.6
128.06177	0.8
131.08560	1.8
133.10139	38.8
140.01076	0.7
141.05515	1.0
143.08542	1.2
151.11185	19.1
161.09657	1.9
169.10115	1.1
169.12306	3.1
174.99231	1.6
176.98885	1.3
179.10605	1.2
197.11702	1.3
210.06943	0.7
211.14842	1.1
215.12927	0.7
235.16957	0.7
253.08710	1.8
253.14357	70.5
253.19736	1.8
254.14616	1.0
260.92572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03939	0.7
55.01864	1.0
55.05504	1.8
56.96549	0.7
57.03440	0.8
57.07074	1.6
65.03938	1.7
67.05508	6.8
69.03426	2.5
69.07073	3.3
69.31713	4.9
71.04990	4.6
75.03427	0.5
77.98576	0.4
79.05496	2.7
81.07057	6.9
83.04997	1.2
83.08630	1.2
85.02888	0.9
85.06540	1.5
91.05479	4.9
93.07048	5.0
95.04977	4.4
95.08611	4.9
97.02904	1.8
97.06535	1.4
97.18690	0.5
98.98472	100.0
99.08075	0.6
100.98904	1.3
105.07040	5.0
107.08604	7.6
109.06546	1.1
109.10162	10.8
111.04445	1.4
111.08100	0.9
113.06015	0.9
116.99538	1.0
119.08588	4.8
121.02876	48.1
121.06480	1.0
121.10163	4.7
123.08077	1.5
123.11665	0.9
125.06007	0.8
125.09641	2.6
131.08569	1.8
133.10152	4.2
135.08054	1.0
135.11682	3.0
137.09618	2.6
138.12758	1.1
139.03915	4.8
141.05473	0.6
143.08586	0.9
145.10181	3.2
146.56487	0.6
147.08051	1.2
147.11674	6.2
149.09595	1.1
149.13223	1.1
151.03877	1.0
151.07651	0.6
151.11153	0.8
153.12730	1.8
157.10133	1.3
159.11702	1.0
160.27695	0.6
161.09651	1.7
165.07024	1.0
165.12814	1.6
167.10768	1.2
169.08755	0.6
174.99252	1.6
175.11221	1.4
175.14830	1.6
176.98964	1.9
179.10652	1.0
189.16451	1.8
191.07014	1.3
193.15866	1.2
197.11748	1.5
210.06773	1.1
210.18605	1.5
217.05002	1.1
217.15866	3.5
221.06122	0.7
225.05672	0.6
225.09256	0.7
231.05968	0.6
235.06041	1.3
235.16937	3.9
238.06279	0.8
253.08870	3.4
253.12285	0.8
253.14333	6.6
253.17798	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
57.03440	1.1
67.05503	1.4
67.80589	0.7
69.07073	1.1
70.32955	0.6
70.33295	2.3
71.04977	0.9
78.03455	9.7
79.05491	1.6
81.07053	2.1
84.04509	2.4
85.02913	7.4
91.05485	3.0
92.05833	1.7
93.07047	1.4
95.04975	1.6
95.08630	0.9
96.04500	86.2
97.06555	0.8
98.00051	0.7
98.98474	100.0
100.98898	1.3
105.07035	1.7
106.02940	3.5
108.46455	0.6
111.08038	0.7
116.99525	2.0
119.04938	1.3
120.08045	0.8
121.10188	0.8
123.05561	22.6
123.08054	1.0
124.03965	82.2
131.04968	0.8
131.08531	0.8
134.04564	1.1
135.08093	0.8
137.05745	0.6
137.09680	1.1
145.06499	1.0
147.04457	2.2
147.08090	1.2
147.09253	0.7
148.04771	3.6
151.07587	0.8
153.01927	0.8
156.43375	0.8
161.07152	9.3
163.07600	1.2
176.98982	1.1
177.09148	0.8
189.06633	8.9
197.11768	1.0
207.07689	27.5
209.13689	0.7
235.07169	29.0
253.08258	9.6
253.15826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05513	1.1
57.03443	0.8
57.07063	1.0
67.05500	1.4
69.03447	1.2
69.07095	1.5
70.02961	3.6
78.03443	8.0
79.05480	2.1
81.07042	3.2
85.02911	2.6
85.06527	0.7
88.04006	0.7
91.05484	2.8
93.07056	1.3
95.04971	1.3
95.08595	0.8
96.04498	50.5
97.02912	1.6
97.06531	2.8
98.98473	100.0
100.98880	1.6
105.04530	2.2
105.07066	3.4
106.02900	4.0
107.05013	0.8
107.08598	1.6
109.06541	1.1
109.10152	1.6
113.02377	10.3
116.99475	1.6
118.46416	0.6
119.08613	2.2
121.02904	0.7
121.06493	0.8
121.10181	1.2
123.05563	2.0
124.03965	47.4
131.06026	0.8
133.06502	1.9
133.10071	0.7
135.08057	1.2
136.06206	4.4
137.05878	2.0
137.06668	1.7
146.30544	0.7
147.04391	1.0
147.05505	0.7
147.11795	0.9
149.07108	5.9
151.07549	0.8
155.03470	0.8
165.06841	0.8
165.09196	4.0
167.03499	1.1
174.99265	1.8
175.05046	77.0
176.05405	0.8
176.98981	1.7
179.10739	1.0
193.06113	27.2
194.63763	0.7
197.11771	1.1
199.11273	0.8
207.07669	47.0
209.08128	2.4
221.05638	1.8
235.07304	1.4
235.09740	1.1
235.13583	1.3
253.08287	9.0
253.10719	1.7
253.14919	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	252.0866
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
65.03938	1.0
70.02953	4.9
70.95672	1.6
74.02443	28.0
88.03993	43.8
91.05482	100.0
92.05784	1.0
103.62160	0.6
116.03455	15.4
134.04494	50.8
136.06168	2.3
136.07581	0.9
142.92744	0.7
148.38232	0.7
178.22813	0.7
206.08121	1.9
234.07622	2.8
252.08824	1.1
252.14511	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69962	0.7
65.03933	1.1
69.69849	1.2
69.70258	2.7
70.02948	3.9
72.19062	0.6
74.02445	25.7
77.63749	0.6
83.78239	0.5
88.03999	47.5
91.05488	100.0
92.05788	0.7
99.00764	0.7
116.03459	15.5
121.50352	0.6
125.57861	0.6
134.04498	56.3
136.06190	5.4
136.07672	0.8
140.96437	0.7
154.72678	0.7
162.24258	0.6
179.96851	0.6
206.08183	1.8
234.07677	2.3
252.08748	1.0
252.14622	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40253	0.5
65.03944	1.4
65.21382	0.5
69.86388	1.7
69.86792	0.8
70.02966	4.6
74.02448	26.8
81.07061	1.7
88.03999	46.3
91.05489	100.0
91.68387	0.6
92.05830	0.8
98.98470	2.4
99.00883	0.7
105.03357	0.9
116.02674	1.2
116.03465	16.0
117.06992	0.8
119.03503	1.0
120.08091	2.8
127.03872	0.7
129.04474	0.5
134.04500	60.7
136.06200	43.3
136.07457	1.4
139.37672	0.5
146.06035	1.6
206.08136	4.3
234.07651	2.9
234.13480	6.0
252.08809	1.4
252.14510	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	252.1959
Annotation	CHEBI:70402
Peak:m/z	Relative Intensity
57.03419	0.4
67.05505	0.5
68.97313	0.3
69.07075	0.4
70.06587	0.4
71.51492	0.5
72.20600	0.3
73.04458	0.3
74.02422	0.4
79.05475	0.8
81.07043	0.7
85.02881	0.3
88.03990	0.9
90.66272	0.4
91.05482	2.4
91.40497	0.3
93.07040	0.8
95.08642	0.5
97.02878	0.5
97.06507	0.4
98.98473	13.0
105.07018	0.8
107.04945	0.4
107.08584	0.6
108.08086	0.8
116.03423	0.4
118.06536	5.8
119.07308	0.3
120.08058	0.6
121.06485	1.5
121.46680	0.3
132.08073	1.4
133.08879	0.6
134.04497	1.0
134.09621	0.7
136.11194	0.5
136.68895	0.3
146.09644	1.4
148.07465	0.4
148.11189	0.6
149.09700	0.4
150.09146	2.6
151.09882	1.1
162.09154	3.5
166.08647	0.6
166.12263	0.3
176.14351	21.2
177.05504	0.4
178.12236	0.8
180.13779	0.5
181.05070	0.4
190.12274	1.2
190.15771	0.3
192.13831	3.8
193.08618	0.3
194.11774	23.1
202.15900	0.7
208.17078	0.8
220.16969	40.2
221.17378	0.5
222.18623	0.6
235.17789	0.4
252.19589	100.0
253.19876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03950	0.6
54.80642	0.3
55.01870	0.7
55.05511	1.0
56.96575	0.3
57.07077	1.7
59.04996	1.1
63.11503	0.3
67.05498	2.3
69.03426	1.2
69.07074	1.4
71.04996	20.6
77.01607	0.5
79.05505	2.1
81.03425	0.9
81.07057	3.3
83.04985	4.6
83.08617	0.8
85.06553	0.9
91.05481	2.3
93.07050	3.7
95.04977	3.8
95.08619	2.8
97.06535	3.2
98.98470	100.0
99.04427	0.4
105.07028	2.4
107.04968	0.7
107.08597	2.9
109.06521	1.3
109.10179	1.7
111.08065	0.8
113.06005	0.7
115.05352	0.3
116.99503	1.4
117.07040	0.8
119.08580	2.2
121.06519	0.8
121.10162	3.3
123.08058	1.7
123.11702	1.0
125.05073	0.5
125.05995	11.1
131.08566	1.8
133.06502	0.5
133.10121	1.4
135.08031	1.2
135.11702	1.5
137.06001	0.4
137.09627	1.0
139.03844	0.3
140.01082	0.5
145.06497	0.4
145.10141	3.2
147.07965	0.7
147.11679	1.0
149.09641	1.3
151.07532	2.2
151.11160	0.4
152.06241	0.4
159.08061	0.5
159.11665	1.4
161.05989	0.3
161.09523	0.5
161.13197	0.3
163.11183	13.2
163.14818	0.3
165.09070	0.6
171.11760	0.3
173.09605	0.4
173.13287	0.6
174.99210	3.0
175.11151	0.4
177.05412	0.4
177.09116	1.2
181.12241	6.6
187.14746	0.7
189.12752	1.0
191.14311	0.6
193.08545	0.4
193.48129	0.3
195.10139	1.0
195.11749	0.4
199.05724	0.3
205.08536	0.6
205.12341	0.3
207.06406	0.5
215.10660	0.3
215.14311	0.9
215.18149	0.3
218.85289	0.3
233.15352	3.4
251.16420	19.4
251.20158	0.7
269.12384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03963	0.6
55.05505	1.9
57.03446	0.5
57.07081	1.9
59.05000	1.6
60.73360	0.4
67.05501	3.7
69.03430	2.6
69.07069	2.6
71.04994	10.9
71.51424	0.6
77.01579	0.4
79.05489	2.6
81.07050	4.4
83.04970	2.4
83.08633	1.3
85.02929	0.4
85.06542	1.5
91.05484	3.9
93.07032	4.0
95.04969	3.4
95.08604	4.6
97.06538	3.4
98.98470	100.0
99.04481	0.8
105.07048	3.5
107.04955	1.3
107.08600	3.5
109.06531	2.7
109.10166	3.6
111.08074	1.3
113.06011	1.6
116.99505	1.3
117.07021	1.4
118.98434	0.4
119.08584	4.4
121.06536	2.0
121.10144	4.8
123.08088	2.3
123.11720	1.2
125.05999	4.8
125.09639	0.5
130.07788	0.6
131.08598	2.3
133.06508	0.5
133.10120	1.7
134.62851	0.4
135.08084	1.1
135.11696	1.4
137.09628	6.9
140.01018	0.7
143.08549	0.5
145.10133	4.1
147.08052	8.9
147.11697	2.4
149.09608	2.8
149.13269	0.5
151.07550	1.1
151.11183	2.0
151.14871	0.6
151.98924	0.3
153.09103	0.4
153.90549	0.4
155.10730	0.7
155.37767	0.4
157.10193	0.7
159.08060	0.7
159.11760	1.1
161.13211	0.6
163.11179	9.2
163.14865	0.6
165.09126	1.2
167.08632	0.5
167.10696	0.8
173.09636	0.7
173.13284	0.6
174.99243	3.0
175.11176	1.7
177.09146	0.7
177.83504	0.4
179.14320	3.6
181.12224	2.5
187.11211	0.5
187.14789	1.3
189.12830	0.8
191.10774	0.5
191.14316	1.1
193.12276	1.1
195.10143	0.8
196.08690	0.4
197.09393	0.4
197.52440	0.4
205.08487	0.4
205.12280	0.4
205.15919	1.1
207.13757	1.0
215.10695	0.6
215.14287	1.8
233.11786	0.5
233.15352	6.0
233.18979	0.9
251.12700	2.0
251.16408	13.3
251.20210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Peyophorine
Peak:m/z	Relative Intensity
52.54417	0.2
57.50645	0.3
67.47399	0.3
69.54467	1.4
75.20273	0.3
81.07043	0.4
84.08156	1.6
88.03971	0.6
91.05471	0.4
97.06512	0.4
98.98448	2.2
107.04964	1.5
115.05437	0.5
117.07009	0.4
123.04404	0.5
128.06203	0.7
131.04880	0.3
131.08553	1.2
133.06456	0.3
136.06172	1.0
137.05884	0.4
140.19608	0.3
143.04922	0.4
143.08563	2.4
145.06485	0.4
147.04408	0.4
148.05183	0.6
149.04601	0.3
149.05975	0.5
151.07507	0.4
159.08058	1.0
160.05217	1.3
160.07571	0.3
160.11229	1.3
161.06018	2.6
162.05501	1.2
163.06300	0.6
164.07074	3.7
171.08113	1.8
173.05933	0.3
174.06813	0.6
176.07053	0.8
177.07863	26.5
178.08492	0.6
179.10696	0.5
188.10689	2.3
189.09079	2.3
204.10223	0.7
204.12097	0.3
206.11777	100.0
207.12129	1.5
220.73860	0.3
250.03339	0.3
250.14423	27.3
251.14761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1489
Annotation	3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-methylcrotonate
Peak:m/z	Relative Intensity
53.03951	1.2
53.94992	0.8
55.01879	1.8
55.05515	5.0
56.96570	0.9
57.03450	1.2
57.07068	0.7
59.05013	0.9
59.31503	0.6
65.03934	5.1
67.05506	4.0
69.03436	4.2
69.07066	4.5
71.04970	0.9
71.50660	0.8
74.39482	0.6
79.05489	7.1
81.03421	1.6
81.07063	3.0
83.04987	31.2
85.06534	0.7
91.05479	7.4
93.07043	6.4
95.04971	5.3
95.08614	2.9
97.06539	13.6
98.97598	0.9
103.05470	1.4
105.07043	7.1
107.04967	4.3
107.08608	5.5
109.02897	0.8
109.06524	1.1
109.10174	2.7
111.04452	6.9
113.05987	1.2
115.05472	2.6
116.06271	1.2
116.98625	0.8
117.07013	2.2
119.08585	5.2
121.02876	100.0
121.03905	4.6
121.06493	3.6
121.10155	2.9
122.03223	1.1
123.04466	1.1
123.08070	1.3
125.09636	2.0
127.03901	0.7
128.06198	3.1
129.07031	5.4
131.04935	1.6
131.08572	5.8
133.06491	3.1
133.10132	2.3
135.04407	1.9
135.08034	1.6
137.05962	1.4
137.09615	1.2
139.03917	0.9
141.07011	2.2
142.07765	1.2
143.08514	1.3
144.05704	2.4
145.06468	1.4
145.10127	1.7
147.04419	2.1
147.08034	2.7
147.11693	1.0
149.05963	2.5
149.09628	74.4
150.09959	0.9
151.03928	1.8
153.01825	2.3
157.06468	2.9
157.10089	1.0
159.08066	7.3
161.05968	2.3
161.09616	3.7
163.03896	5.8
165.01772	1.1
165.06717	0.7
165.09215	0.9
169.07736	0.9
170.07310	3.2
171.08073	1.9
171.11646	1.1
173.06003	1.4
175.07532	1.4
177.09132	0.8
179.03389	2.9
183.02808	0.9
185.05934	0.8
185.13232	0.9
187.07510	4.7
189.05408	1.5
189.09059	2.0
189.12682	0.9
189.16345	0.9
203.07010	2.4
203.14270	3.3
204.07808	3.4
205.08594	9.4
212.80452	0.7
213.12787	0.9
219.10077	1.1
220.10323	1.0
221.04462	2.0
221.11658	1.7
231.06531	1.2
231.10118	2.7
231.13852	2.4
231.17383	1.2
247.07233	1.2
249.03757	1.1
249.07335	4.7
249.11215	27.3
249.14702	4.9
249.18413	2.0
256.95840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01874	1.2
55.05514	1.4
55.80109	0.6
56.05034	0.9
56.96562	1.6
57.03444	0.8
61.57885	0.5
67.05493	0.6
69.03434	2.0
69.07066	1.1
70.06602	1.5
70.87882	1.3
70.98141	1.0
71.05005	1.0
71.07381	0.5
72.08133	1.2
73.02921	2.1
74.02454	0.7
79.05494	0.7
81.03401	3.4
81.07059	0.9
82.06597	1.9
83.04985	0.6
84.08153	15.5
85.02916	1.7
87.04498	0.9
88.04002	3.2
91.05496	1.1
95.04994	0.8
96.04536	0.7
97.02915	2.4
97.06516	1.8
98.98473	27.7
99.04462	4.0
102.05540	1.4
107.04981	3.8
109.02883	9.4
113.06012	5.7
115.03912	1.2
118.06523	0.5
119.04919	0.8
120.08109	0.6
123.04427	2.1
124.07615	0.5
127.03913	4.1
128.06248	0.8
128.07082	3.2
128.98596	0.7
130.06511	1.2
130.08676	0.7
131.04883	0.5
131.08578	0.9
132.06625	0.6
133.04834	0.9
133.06689	0.6
134.09706	0.7
135.04460	0.6
136.06183	11.0
137.02338	11.1
137.03302	0.9
137.05969	1.2
141.05466	7.3
142.08621	3.0
143.08557	2.9
145.06549	0.7
146.99738	1.0
147.04434	0.8
151.03891	1.8
151.07544	0.7
155.03433	2.4
159.06483	1.5
159.07991	1.2
160.05162	1.1
160.06384	0.5
160.11218	1.9
161.05922	2.9
162.05487	2.3
164.05925	0.7
164.07094	3.8
165.00786	0.7
169.04980	5.4
170.08157	1.4
171.08064	1.8
174.11293	1.0
174.99210	1.1
176.07123	0.8
177.07852	24.0
183.02975	1.6
187.06033	21.0
187.07715	1.3
188.09200	10.0
188.10770	1.3
188.12834	1.9
189.09149	1.7
190.08655	0.6
201.03935	3.6
204.10367	0.9
204.12129	2.9
205.00180	0.8
205.06973	0.6
206.11772	100.0
207.12180	0.9
215.05467	1.1
220.82834	0.6
223.01305	0.8
232.11975	1.4
233.06415	0.6
250.10587	1.5
250.14737	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	249.1489
Annotation	Lyratol D
Peak:m/z	Relative Intensity
51.85445	1.4
53.03943	8.1
55.01862	4.9
55.05510	16.1
57.03436	3.5
57.07060	2.2
59.04990	2.7
65.03938	4.3
67.01860	4.0
67.05508	29.9
69.03433	45.0
69.07077	13.0
71.02342	2.6
71.02684	3.1
71.04991	3.0
77.57783	1.6
79.05493	25.8
81.03419	3.2
81.07059	40.3
83.04990	26.2
83.08614	6.7
85.06539	5.7
91.05488	56.8
93.06485	3.8
93.07052	58.8
95.04978	23.6
95.08054	3.0
95.08611	33.2
97.02876	2.2
97.06540	27.3
97.10159	1.6
98.97594	2.5
99.04488	3.0
103.05441	4.0
105.04536	3.4
105.07040	36.2
107.04961	10.6
107.08599	36.6
109.02879	7.2
109.06523	27.4
109.10168	13.1
110.07288	5.0
111.04452	4.8
111.08083	15.4
113.06037	2.1
115.05448	8.8
116.06248	5.3
117.07013	11.7
119.01790	2.0
119.04959	13.1
119.05807	2.0
119.08589	65.3
121.06516	16.7
121.10148	17.7
122.07260	4.4
123.04440	4.7
123.08101	9.1
125.05994	2.0
128.06230	12.7
129.07025	24.7
130.07800	3.3
131.04948	5.0
131.08577	23.7
133.06520	12.3
133.10147	19.0
135.04446	11.0
135.08057	13.8
135.11702	14.9
137.05988	11.8
137.09633	16.5
138.06329	1.9
139.07545	5.2
141.06998	10.0
142.07819	8.4
143.08577	8.3
144.05714	9.9
145.06551	8.0
145.07524	1.8
145.10159	13.5
146.07251	3.1
147.04396	6.5
147.08049	100.0
147.11681	8.0
149.05998	6.4
149.09627	6.6
149.13292	2.0
151.03920	1.8
151.07581	4.1
153.01813	7.4
153.02924	2.0
153.09253	2.3
155.08405	1.7
156.09370	1.9
157.06540	8.5
157.10130	7.8
158.07262	1.8
159.04372	1.8
159.08064	28.7
159.11705	6.4
160.05212	2.2
161.05980	10.4
161.09628	20.6
161.13274	12.5
163.03915	11.5
163.11183	3.3
165.05489	32.4
165.09225	2.4
169.07616	2.4
170.07260	6.5
170.10922	3.4
171.08086	6.0
171.11697	6.2
172.05196	2.4
173.05978	6.1
173.09724	1.7
174.06758	3.0
175.07565	14.1
175.11284	3.5
175.14900	9.3
177.05502	2.3
179.03482	3.5
179.07076	8.0
185.13289	5.5
187.07553	18.3
187.14853	1.8
188.08313	2.6
189.05453	6.5
189.09082	12.0
189.12743	15.5
189.16457	4.0
191.07079	2.5
193.08571	3.5
193.12201	2.0
198.06731	2.1
199.07491	2.2
203.07048	7.0
203.10623	2.1
203.14317	15.0
204.07870	10.4
205.08621	19.3
213.09300	2.0
213.12770	6.9
213.16316	4.8
216.07835	4.5
218.09561	2.0
219.09975	3.2
221.11758	3.5
231.06445	3.6
231.10193	5.9
231.13820	20.3
231.17487	5.5
249.07463	8.2
249.11240	89.4
249.14885	80.0
249.18504	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	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.92886	0.6
55.01869	1.7
55.05498	1.4
56.96553	0.8
57.03433	1.0
59.81731	0.6
64.18106	0.6
65.58212	0.6
67.05505	2.7
69.03413	3.0
69.07057	2.5
69.40382	0.6
71.50809	0.6
71.51245	0.9
79.05478	2.8
81.03432	0.8
81.07073	3.1
83.04962	1.0
85.02918	1.9
85.06521	0.9
88.34341	0.7
91.05492	10.5
93.07046	3.2
95.04973	2.2
95.08600	2.7
97.02853	1.3
97.06513	2.9
99.04393	0.7
103.05487	1.6
105.07041	6.2
107.04956	2.9
107.08574	2.3
109.02883	0.8
109.06526	1.5
109.10143	2.3
115.05456	6.0
116.06264	5.2
117.07038	3.7
119.04972	1.7
119.08575	2.4
121.06514	2.0
121.10165	1.4
123.04427	1.0
123.08042	0.9
128.06224	13.4
129.06035	1.2
129.07008	23.4
130.07776	1.3
131.04942	3.4
131.08575	21.1
132.05728	1.2
133.06483	3.9
133.10144	3.6
135.04422	2.8
135.08092	0.8
135.11717	1.1
137.05975	3.6
137.09587	1.4
139.03937	3.1
141.05963	1.2
141.06996	11.1
142.07809	4.4
143.04898	2.3
143.08556	4.2
144.05705	9.9
145.06493	7.0
145.10175	0.9
146.07265	3.3
147.04402	2.3
147.08031	1.6
147.11678	1.4
149.09641	1.7
151.03944	0.9
152.06239	1.8
153.01782	1.5
153.07018	2.1
155.06015	2.4
156.05702	2.1
157.06517	11.4
157.10136	1.2
158.07294	3.6
159.04442	1.0
159.08069	34.1
160.05243	3.3
161.05981	8.5
161.09637	8.7
163.03925	1.3
167.07086	1.3
167.08585	1.1
169.06450	1.5
169.07629	4.0
170.07288	8.8
171.04424	3.0
171.08057	7.3
172.05203	3.7
173.06000	5.3
174.06784	2.5
175.07515	4.7
176.04628	0.7
177.05399	1.5
177.09125	1.4
178.06262	1.6
181.04962	2.1
184.05243	0.7
185.05925	1.6
185.09523	1.0
185.13255	1.0
186.06804	1.0
187.07556	21.0
188.04700	1.0
188.08278	1.2
189.05479	4.3
189.09113	11.8
190.06210	1.8
191.07054	1.8
193.08607	1.4
198.06761	1.7
199.07550	2.8
201.05516	1.5
203.07024	11.9
203.08778	0.9
203.10657	0.9
204.07825	13.1
205.08658	4.9
206.09370	0.8
213.09164	1.2
216.07777	3.4
217.08553	1.3
218.09506	1.2
219.10132	2.6
221.08102	2.7
221.11728	4.3
231.06525	2.0
231.10193	8.2
231.13768	1.4
233.11839	2.3
234.08781	0.9
249.11237	100.0
249.15314	2.5
250.11545	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	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
69.03421	1.6
69.07065	0.9
69.69336	5.4
79.05500	2.0
91.05487	9.3
97.06541	4.7
103.05436	1.2
105.07024	3.3
107.04974	1.9
115.05440	6.0
116.06239	3.9
117.07038	2.6
119.04977	1.5
121.06573	0.9
128.06241	10.5
129.07014	21.1
131.04929	2.8
131.08571	16.3
132.05721	1.1
133.06496	3.8
133.10141	1.5
137.05997	2.2
141.06985	11.6
141.07999	1.0
142.07797	3.5
143.08633	4.0
144.05717	8.8
145.06506	6.4
145.07455	1.1
146.07263	2.5
147.04366	1.3
147.08075	0.8
149.09676	1.5
152.06253	0.9
153.07013	2.6
155.04868	1.0
155.06017	1.8
156.05736	1.0
157.06526	9.5
158.07278	2.9
159.08070	27.0
159.11774	0.8
160.05191	1.6
161.05989	3.9
161.09650	6.6
167.07068	0.9
169.06491	2.3
169.07646	3.3
170.07295	8.8
171.04451	1.3
171.08067	7.5
172.05199	3.6
173.06003	4.2
174.06761	2.6
175.07507	3.0
185.06007	1.6
187.07568	18.0
187.79063	0.8
188.08321	1.3
189.05469	3.2
189.09120	9.4
190.06317	0.9
198.06877	2.3
199.07574	3.6
201.05484	1.1
203.07043	6.5
204.07828	11.7
205.08623	2.0
216.07796	4.0
217.08588	0.9
218.09250	1.1
219.10176	1.8
221.11768	2.7
231.10146	6.1
233.11772	1.9
234.09099	1.3
249.11246	100.0
250.11664	1.1
250.14317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
58.85089	0.7
60.91206	0.8
67.05476	0.8
70.04214	3.1
70.04562	1.0
79.05502	1.1
83.04985	0.9
91.05482	8.9
91.97038	0.9
95.08682	0.7
97.02905	0.9
97.06536	2.2
98.21423	0.9
98.46988	0.8
103.05476	1.7
105.07027	3.3
107.04964	2.3
115.05458	5.4
116.06264	3.9
116.07484	0.8
117.07018	3.5
119.04959	1.1
119.08636	0.8
121.06517	0.9
123.04404	1.1
124.03931	0.9
128.06238	10.7
129.07016	19.1
130.07813	0.9
131.04933	3.1
131.08577	17.8
132.26202	0.9
133.06499	3.1
133.10201	1.0
141.07002	10.3
142.07784	3.4
143.04901	1.6
143.08575	4.5
144.05704	9.9
145.06459	4.9
146.07275	3.7
147.04405	2.3
152.05748	3.3
153.07030	2.4
155.06030	1.6
156.05693	2.2
157.06505	9.7
158.07265	1.9
159.08070	26.7
160.05156	1.2
160.08844	0.9
161.05983	4.3
161.09613	7.8
169.06387	1.1
169.07715	4.8
170.07280	9.7
171.04440	1.5
171.08064	5.6
172.05217	2.3
173.06013	4.7
174.06770	2.3
175.07568	4.1
177.05481	1.1
178.06322	1.3
186.06880	1.0
187.07559	16.5
188.08229	1.3
189.05447	2.7
189.09103	8.9
190.06274	2.2
191.07002	1.4
193.08614	1.1
198.06825	1.5
199.07541	3.6
201.05507	1.9
203.07001	5.8
203.15453	1.1
204.07834	14.0
205.05032	1.0
205.08627	1.7
206.09401	1.0
207.06522	1.1
216.07845	4.3
218.09453	1.2
219.10152	1.8
221.11755	2.8
231.10182	7.6
234.09050	1.7
249.11241	100.0
256.24045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01866	1.2
55.05509	0.9
57.03441	0.9
67.05502	1.3
69.03413	1.0
69.42297	4.2
70.06581	0.7
79.05482	1.4
81.07069	1.2
85.02888	0.7
91.05482	9.1
93.07053	1.4
95.08589	1.0
97.06512	0.8
98.97559	0.7
103.05463	2.3
105.07021	3.7
107.04949	3.1
107.08588	1.0
111.08146	0.8
115.05449	5.5
116.06250	4.0
117.07026	5.0
119.08572	1.9
121.06458	1.5
123.04411	0.8
124.58634	0.6
128.06232	10.4
129.07005	18.9
130.07785	1.5
131.04947	3.7
131.08577	19.7
132.05693	1.3
133.06491	3.7
133.10149	1.1
139.03989	0.8
139.05449	0.7
141.06985	10.2
142.07784	4.4
143.04918	1.4
143.08539	3.4
144.05717	10.7
145.06508	6.3
146.03595	1.2
146.07280	4.0
147.04395	2.5
147.08041	1.2
149.05901	0.9
151.03902	1.0
152.06207	1.1
153.01852	1.2
153.07005	2.3
155.03902	0.6
155.06041	2.2
156.05653	1.7
157.06490	10.6
158.07257	2.7
159.04411	0.7
159.08052	28.6
160.05173	1.8
160.08749	0.7
161.06004	5.9
161.09627	7.7
167.07109	0.8
169.06412	1.5
169.07645	3.2
170.07246	8.2
171.04410	1.7
171.08035	7.3
172.05241	3.6
173.06013	5.6
174.06816	3.3
175.07600	3.5
177.05545	1.4
177.09193	0.8
177.14645	1.3
178.06227	1.6
184.05145	1.3
185.06013	1.9
186.06674	0.9
187.07547	22.8
188.08221	1.2
189.05510	3.0
189.09116	10.9
190.06219	2.0
191.07109	1.2
191.08983	1.1
192.07738	0.7
193.08632	1.7
198.06760	2.3
199.07555	2.9
201.05473	1.6
203.07036	5.4
203.10619	1.1
204.07825	13.4
205.08647	4.1
205.10349	1.2
206.09366	0.8
213.09082	0.7
216.07768	3.5
217.05032	1.4
218.09386	2.0
219.10107	2.2
219.12079	1.0
221.08234	0.9
221.11739	3.5
231.06563	1.2
231.10139	7.8
234.08878	1.4
249.11229	100.0
249.16714	13.3
250.11497	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
60.78428	0.6
64.33595	0.7
67.05505	1.1
68.74336	0.5
69.03418	1.5
70.56602	1.0
70.56941	0.9
79.05482	1.8
81.07055	0.8
91.05483	8.5
93.07109	0.7
97.06533	5.2
103.05487	1.2
105.07036	4.1
107.04943	1.8
115.05443	5.7
116.06258	4.3
117.07045	3.3
119.04947	1.5
119.08550	0.9
121.06447	0.9
127.05435	0.9
128.06238	8.5
129.07007	19.9
130.07767	1.6
131.04935	2.8
131.08566	18.7
132.05707	1.3
133.06454	3.2
133.10173	1.4
137.05978	3.6
141.06992	12.4
142.07797	4.5
143.08557	3.5
144.05708	10.1
145.06490	6.3
146.07292	4.0
147.04396	2.3
147.08081	1.3
152.06200	1.0
153.06990	2.2
155.06042	2.3
156.05688	1.9
157.06493	11.1
158.07242	2.1
159.04431	0.9
159.08058	26.1
160.05246	1.3
161.05997	3.7
161.09618	8.2
167.07094	1.0
169.06389	1.4
169.07697	2.8
170.07269	7.1
171.04445	1.7
171.08058	6.1
171.15581	0.6
172.05214	4.0
173.05988	4.4
174.06712	2.4
175.07539	3.6
185.05994	0.9
186.06715	0.7
187.07552	18.0
188.08376	0.7
189.05475	3.6
189.09126	8.7
190.06258	1.3
191.07027	1.8
198.06755	1.5
199.07553	2.0
201.05457	1.6
203.07043	5.4
203.10959	0.6
204.07841	12.0
205.08530	2.1
206.09425	1.1
216.07805	3.3
217.08606	1.6
218.09392	1.8
219.10173	1.9
221.08139	1.0
221.11755	2.4
231.10110	6.8
233.11699	2.4
234.08826	1.2
249.11226	100.0
250.11523	1.2
254.94733	0.6
257.25455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
51.25963	0.2
69.62717	1.1
70.76292	0.2
75.07485	0.2
79.05530	0.2
81.07064	0.3
91.05489	0.6
93.07054	0.2
95.08621	0.3
99.00662	0.2
102.05527	0.3
109.10107	0.3
113.24026	0.2
115.05482	0.3
118.06545	5.9
118.07370	0.4
119.07352	0.3
119.08589	0.3
120.08109	0.2
121.06515	0.2
129.07018	0.3
131.07437	0.2
131.08565	0.4
132.08078	1.8
132.08925	0.2
133.08919	0.4
134.09642	0.4
141.06879	0.2
144.08073	0.5
146.09639	2.0
151.14732	0.2
159.08084	0.3
160.11241	0.7
161.06027	0.2
171.78340	0.2
172.11200	0.3
174.12769	1.2
176.14355	13.7
177.00761	0.2
187.07544	0.4
190.08638	15.7
191.06873	0.2
201.00703	0.2
202.15916	2.3
203.09384	0.2
203.16612	1.0
204.08214	0.3
204.10194	2.7
205.10992	0.5
218.11777	4.6
232.13266	0.3
233.14005	0.2
248.16464	100.0
249.11302	1.2
249.16840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45201	18.4
65.99283	13.6
76.69338	13.2
92.86321	14.0
92.94973	14.5
94.92999	100.0
101.00898	66.2
104.10764	16.1
119.01947	67.5
131.01938	18.0
134.13507	14.3
143.01900	32.3
145.03494	20.6
161.02968	48.9
189.02512	29.0
206.88553	31.1
247.96078	13.9
248.89627	25.7
249.03734	84.6
249.08263	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05039	4.3
58.06604	0.8
60.08166	0.8
67.05507	0.6
67.78603	0.4
68.99795	1.1
69.03471	0.4
69.77634	1.4
69.87444	0.4
70.06600	0.5
72.08144	0.5
77.31400	0.4
77.68309	0.3
79.05507	1.5
81.03416	0.5
81.07056	0.7
84.04512	2.6
85.02894	0.5
88.07639	4.1
91.05483	1.7
92.02637	0.6
93.07053	0.5
94.06576	0.6
95.04988	0.6
97.02894	1.8
97.06501	0.5
102.05534	0.5
103.05474	0.7
105.07048	0.8
107.04972	1.0
107.08659	0.7
107.09502	0.4
111.00822	0.5
114.10349	0.5
115.05490	1.1
116.07100	100.0
117.05744	0.6
117.06966	0.5
118.06564	1.1
119.08558	0.4
121.02857	0.5
121.06573	0.5
123.04406	0.7
130.06509	0.5
131.04901	0.7
131.08600	0.7
132.08081	0.5
135.04414	1.3
137.02367	0.6
137.05968	0.5
142.06544	1.8
143.07321	3.8
143.08435	0.7
144.04463	1.6
144.08089	0.8
145.04280	0.4
145.05263	2.2
145.06404	0.7
146.05972	0.6
147.07977	0.4
155.04912	0.6
155.08629	0.5
158.09680	0.4
159.11646	0.6
160.07591	49.8
161.05919	1.1
161.07997	0.9
163.03911	4.3
163.07608	0.4
170.06033	4.1
173.05988	1.6
173.09584	0.6
175.04047	0.4
175.07561	0.5
176.04855	0.4
177.01868	0.5
177.05473	0.6
177.67220	0.4
187.03911	0.4
187.07639	0.5
187.12361	0.6
188.07077	1.5
191.07115	0.9
201.05423	1.6
201.09163	0.5
202.08646	33.6
203.07045	1.0
219.06528	1.8
219.10092	0.4
229.05032	2.0
229.08562	0.6
247.06012	15.1
247.09612	1.3
247.14601	4.8
247.16898	0.7
248.12810	0.4
265.07031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1647
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
58.28517	0.1
59.04611	0.1
61.03511	0.1
61.40844	0.1
62.13575	0.1
63.03798	0.1
69.71825	0.2
69.72236	0.8
76.55586	0.1
77.67724	0.1
80.23667	0.1
80.39977	0.1
89.01736	0.1
91.05480	0.3
106.06559	0.1
117.05743	0.3
118.05707	0.3
118.06542	5.8
119.07306	0.2
130.06497	0.2
131.07300	0.3
131.08521	0.3
132.08102	2.5
133.08856	0.7
134.09647	0.5
144.08078	0.5
145.08855	0.2
146.09656	2.1
153.88341	0.1
158.09650	0.2
160.11221	0.6
172.11356	0.2
174.12766	0.9
175.13420	0.2
176.14349	13.6
189.07874	0.1
190.08629	12.7
191.09271	0.3
202.08611	0.2
202.15894	2.2
203.16702	1.0
204.10202	6.0
205.10962	1.9
206.11850	0.3
218.11757	5.4
219.12439	0.3
232.13391	0.5
248.16458	100.0
249.16843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65231	0.7
58.44064	0.7
58.91206	0.6
59.25799	0.6
60.08169	68.1
67.62240	0.7
69.84501	1.4
69.84900	2.9
89.83678	0.6
91.05454	0.9
95.91142	0.6
98.21489	1.2
112.83700	0.6
115.05472	1.7
117.07000	1.4
118.06553	35.3
142.06560	3.3
143.07315	4.4
144.04318	1.0
144.08086	20.1
146.06024	90.4
147.06366	1.7
160.07542	1.4
170.04599	1.0
170.06013	7.4
188.07082	100.0
189.07399	1.3
229.04924	0.7
247.14450	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90401	0.6
60.08167	68.8
66.80458	0.6
70.56224	1.3
70.56589	1.3
75.81239	0.6
91.05499	1.7
115.05475	1.8
116.66910	0.7
117.05768	0.8
117.07050	3.3
118.06549	41.5
132.08095	1.1
142.06535	3.3
143.07324	4.9
144.07129	0.5
144.08087	21.7
146.06017	94.5
147.06349	0.8
158.33089	0.6
160.07578	0.9
170.06013	6.4
188.07076	100.0
189.07417	1.8
190.08362	0.6
247.06000	0.6
247.14424	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	247.1332
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.22667	0.8
51.49124	0.8
53.03936	1.2
55.01869	1.9
55.05511	3.4
58.21302	0.8
60.08166	72.2
60.41605	0.9
65.03933	1.9
67.05508	5.5
68.99799	2.8
69.03435	9.5
69.07051	0.9
70.06574	1.3
70.65974	3.0
71.04984	0.9
79.05508	5.5
81.03413	1.1
81.07059	2.9
83.04984	6.0
84.08145	0.9
85.06542	1.7
88.95765	0.9
91.05478	11.3
93.07053	6.7
95.04981	10.7
95.08598	4.1
97.06548	2.4
99.04479	0.9
103.05464	2.0
103.29765	1.3
105.07030	19.6
106.04063	0.9
107.04945	3.0
107.08604	4.2
109.02881	2.6
109.06529	7.8
111.00811	2.1
111.04441	3.2
111.80786	0.9
115.05471	2.9
117.07018	8.2
118.06548	42.8
119.08596	12.6
121.02867	1.6
121.06519	7.9
121.10145	2.2
123.04425	2.7
123.08067	8.1
128.06210	2.5
129.07008	4.3
130.07787	1.4
131.04900	2.0
131.08569	8.5
133.06537	4.5
133.10115	4.8
135.04367	2.0
135.08073	3.9
137.02383	1.0
137.05933	1.3
137.09648	2.3
141.06996	3.5
142.06549	3.8
142.07788	6.7
143.07463	6.5
143.08556	6.0
144.08109	19.9
144.09258	2.4
145.06490	4.9
145.10129	6.9
146.06015	97.8
147.06398	1.1
147.08064	6.4
147.11722	2.8
149.06026	1.8
149.09634	2.8
151.07555	1.5
153.01823	2.5
153.07047	1.6
155.04904	1.8
155.06078	1.5
155.08557	2.0
156.09358	2.9
157.06526	1.4
157.10109	7.9
158.07271	3.4
158.10904	1.6
159.08067	9.9
159.11688	8.7
160.08835	2.1
161.05986	1.3
161.09647	4.9
163.03923	2.3
165.09045	4.9
168.09335	2.1
169.06483	1.5
169.10092	1.3
170.05997	7.4
171.04253	1.0
171.08049	2.4
171.11806	3.6
172.08859	4.2
173.05952	2.0
173.09584	4.5
173.13226	4.9
175.07497	2.4
175.11142	4.8
177.05670	1.6
181.06454	1.7
182.33661	1.0
183.11713	4.4
185.09621	2.9
186.03070	5.8
186.10458	1.7
187.07501	1.7
187.11183	7.7
188.07071	100.0
189.07481	1.9
189.09023	5.0
193.10153	1.4
196.08836	2.6
199.11142	6.1
201.05258	5.1
201.09048	1.5
201.12755	8.9
203.07040	2.0
203.10672	4.2
210.80537	1.0
211.11195	5.4
217.12242	4.3
219.06104	1.7
219.10114	1.2
219.13818	3.6
229.04912	7.7
229.08618	2.2
229.12274	7.9
247.06010	28.8
247.09874	2.4
247.13205	24.3
248.12904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1333
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
52.74154	2.5
53.03945	3.0
55.01862	2.4
55.05497	5.3
60.04536	19.0
65.03912	4.8
67.05509	3.7
67.41812	2.4
68.99804	4.7
69.03436	20.7
69.07066	2.3
69.16219	2.4
69.56293	4.9
69.56699	12.0
70.02943	6.0
72.04514	3.3
79.05487	15.9
80.03046	2.0
81.03412	3.4
81.07062	7.2
83.04984	21.4
84.99992	2.1
88.03996	4.5
91.05490	44.8
93.03424	4.1
93.07065	14.7
95.04999	6.5
95.08602	3.2
97.02897	11.7
102.05549	100.0
103.05456	2.5
105.07038	16.5
107.04961	5.7
107.08595	16.9
109.02904	12.6
109.06525	11.3
109.10165	5.4
111.04458	4.8
113.02335	2.7
114.30142	2.4
115.05464	5.5
117.07047	14.2
118.06504	3.6
119.08608	21.2
121.02872	5.3
121.06506	19.4
121.10123	5.0
123.04440	3.1
127.03996	2.2
128.06252	3.9
129.06995	6.7
130.07779	3.0
131.04955	4.0
131.08562	17.8
132.05717	3.8
132.08061	2.2
133.10126	12.7
135.04436	4.1
135.08058	27.8
136.78769	2.2
137.05988	6.1
137.09630	3.1
141.07004	4.4
142.07797	3.0
143.08583	12.1
144.09329	11.1
145.06516	16.4
145.10136	11.1
146.06024	8.0
147.04430	2.9
147.07951	5.1
149.06003	2.3
149.09647	19.5
150.10454	5.0
151.11104	3.1
153.06970	4.1
153.09116	3.4
155.04944	3.0
155.08580	7.6
157.06503	3.1
157.10092	3.1
158.07262	2.6
158.10930	9.7
159.08032	10.3
159.11693	26.4
160.08842	4.3
161.05977	4.1
161.09657	7.1
163.03943	14.9
163.07573	20.6
163.11206	4.4
168.09328	5.2
169.10088	3.8
170.10895	5.1
171.08031	6.3
172.08856	17.1
173.06010	5.9
173.09637	29.5
173.13269	29.5
175.04005	2.5
175.07553	2.5
176.14302	5.2
177.05467	2.7
177.09047	4.0
183.11687	10.0
183.60332	2.1
185.09607	2.9
185.13200	2.3
186.06766	2.1
186.10428	18.8
187.07567	5.2
187.11200	94.3
188.07028	3.9
191.07056	39.0
196.08876	4.7
199.07648	4.2
201.05508	5.4
201.09109	2.6
201.12762	52.9
202.08737	2.5
205.08482	2.3
205.12234	5.2
211.11148	11.1
217.08331	2.0
217.70419	2.5
219.06517	4.6
219.13789	5.4
220.09674	3.4
229.04945	8.0
229.12238	60.9
247.06070	48.4
247.09724	6.4
247.13248	71.4
247.17160	4.2
265.07077	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	247.1331
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03944	3.9
55.01864	1.5
55.05497	2.0
57.03415	1.1
57.07064	0.8
63.02369	0.8
64.03153	0.9
65.03944	3.6
67.05509	3.8
68.99776	1.8
69.03077	0.9
69.03428	10.4
69.07052	1.6
69.19836	5.6
70.95753	0.6
71.04986	0.6
77.03926	1.5
79.05496	17.7
81.03400	2.2
81.07051	4.8
83.04984	7.2
85.02894	1.0
91.05486	11.3
92.02623	13.0
92.06267	0.8
93.03389	1.8
93.07048	6.4
95.04967	5.7
95.08597	2.3
96.08105	0.7
97.02895	36.9
97.06462	0.6
98.20704	1.2
102.04668	0.8
103.04803	0.9
103.05472	14.4
105.03382	1.1
105.04506	1.6
105.07042	8.7
107.04958	16.5
107.08597	7.2
108.02081	1.1
109.02882	4.0
109.06516	4.6
109.10174	1.7
111.00770	0.7
111.04436	2.6
115.05446	4.5
116.06085	0.5
117.07034	5.1
118.04160	2.3
119.04909	2.2
119.08591	8.2
120.02065	0.6
120.05711	4.0
120.38310	0.5
121.02863	2.5
121.06528	7.4
121.10149	3.9
122.06829	1.0
123.04463	1.7
123.08051	1.4
128.06247	2.2
129.03374	2.5
129.07021	3.2
130.04173	0.9
130.07758	1.2
131.04930	8.1
131.08575	7.4
132.05728	1.8
133.02847	0.7
133.06459	1.7
133.10110	3.9
134.03636	0.8
135.04425	27.9
135.08060	12.5
135.11671	1.0
137.05969	2.1
137.09622	1.6
139.03889	1.0
141.06932	1.6
142.07767	1.7
143.04918	0.8
143.08565	4.0
144.05725	0.8
144.09346	3.1
145.06506	7.5
145.10143	5.1
146.03635	8.0
147.04440	3.4
147.08032	2.7
147.11740	0.8
148.05208	4.0
149.05952	2.2
149.09631	8.8
151.03886	1.9
151.07434	0.7
151.11143	1.7
153.05476	2.2
153.06906	0.9
153.09068	0.8
155.04901	1.1
155.08611	2.8
156.09274	0.7
157.02884	2.0
157.06523	1.3
157.10107	2.5
158.03644	1.4
158.07307	0.8
158.10921	3.6
159.04402	2.4
159.08070	5.3
159.11693	11.0
160.05141	1.3
160.08749	1.4
161.02341	2.0
161.05989	13.1
161.09624	2.4
162.03030	0.7
162.06572	0.8
163.03917	69.1
163.07562	10.3
163.11230	1.8
164.04260	1.5
165.09105	0.7
168.09344	2.2
169.10161	1.5
170.10846	2.0
171.08023	3.1
171.11618	0.9
172.08835	7.7
173.06015	1.7
173.09631	11.5
173.13266	13.4
174.03076	1.1
175.03917	2.1
175.07498	2.3
176.04709	4.7
177.05507	3.1
181.06487	1.3
183.04636	0.6
183.11702	4.7
185.09703	1.1
185.13168	0.8
186.03094	1.1
186.10397	8.5
187.03914	1.3
187.07611	1.2
187.11191	38.9
187.78348	0.6
188.11623	1.0
189.05450	7.3
190.06142	0.9
191.07039	25.2
193.10170	0.7
196.08815	1.8
201.05412	2.4
201.09187	1.1
201.12764	21.4
203.03372	1.0
203.07036	1.1
203.14319	1.3
204.04184	5.8
205.04982	0.7
205.12253	2.4
211.00003	0.6
211.11197	4.9
217.16144	0.6
219.06535	38.6
219.13843	1.9
220.06746	0.7
222.05273	1.0
229.04990	4.5
229.12262	23.4
229.15755	1.1
230.05118	0.6
230.12776	0.7
247.06020	100.0
247.13269	29.0
247.17101	2.5
248.06329	2.2
265.07092	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0603
Annotation	6-Methoxysorigenin
Peak:m/z	Relative Intensity
51.02371	0.9
53.03945	3.8
55.01858	1.7
55.05499	2.0
55.11530	0.6
56.94729	0.5
56.96581	0.5
57.07057	0.7
63.02368	0.8
64.03157	0.8
65.03934	1.9
67.05492	2.4
68.99807	1.2
69.03428	9.0
70.10020	1.3
70.10448	1.8
77.03890	1.1
79.05494	16.1
80.51096	0.6
81.03386	1.5
81.07050	3.6
81.63837	0.6
83.04985	6.6
91.05480	8.2
92.02626	13.4
93.03378	0.9
93.07045	5.1
95.04980	4.6
95.08589	1.7
97.02895	35.3
97.06514	0.7
102.04676	1.2
103.05481	13.7
105.03432	0.8
105.04505	1.4
105.07026	7.6
106.04190	0.8
107.04959	15.8
107.08595	5.0
108.02096	0.9
109.02870	2.8
109.06512	3.7
109.10143	1.2
111.04428	2.1
112.04936	0.6
115.05460	3.2
117.07029	4.2
117.14387	0.5
118.04159	1.7
119.04931	1.7
119.08582	8.0
120.02061	1.0
120.05712	3.5
121.02852	2.6
121.06516	5.7
121.10126	2.8
123.04396	0.9
123.08048	1.4
124.60204	0.5
125.06022	0.6
128.06224	1.6
129.03369	2.1
129.07007	2.8
130.04129	1.3
130.07790	0.8
131.04919	6.5
131.08580	6.6
132.05682	1.3
133.06511	1.1
133.10123	3.1
134.03668	0.6
135.04420	26.9
135.08049	11.3
135.11662	0.6
137.05975	1.1
137.09616	1.3
139.03893	0.8
142.07745	1.2
143.08572	4.3
144.09338	3.2
145.06505	5.6
145.10135	5.7
146.03642	7.1
147.04431	3.7
147.08006	1.3
148.05205	3.8
149.05988	1.3
149.09631	7.2
150.10373	1.0
151.03902	2.4
151.11159	1.1
151.37498	0.7
153.05486	1.5
153.06961	1.0
153.09076	0.6
155.06059	0.7
155.08531	2.2
157.02838	2.2
157.10159	1.2
158.03613	1.1
158.07240	0.7
158.10893	3.6
159.04391	2.3
159.08066	3.2
159.10452	0.9
159.11700	9.0
160.05200	1.1
160.08893	1.8
161.02328	1.0
161.06000	12.5
161.09595	1.2
163.03911	64.5
163.07553	8.6
163.11200	1.0
165.05499	0.6
168.09320	2.3
169.10118	1.1
170.10892	1.7
171.08064	3.1
172.08833	5.9
173.05978	1.9
173.08133	0.6
173.09625	9.4
173.13263	10.8
175.03905	1.9
175.07506	1.1
176.04718	4.0
177.05493	3.1
177.12720	0.5
181.06546	0.6
183.11690	2.8
185.09686	0.6
185.13281	1.1
186.03105	0.8
186.10402	7.7
187.03845	1.0
187.07565	1.5
187.11191	33.2
189.05463	7.4
189.09157	1.0
191.07037	22.9
196.08804	1.5
199.07541	1.0
201.05397	3.0
201.09204	1.0
201.10861	1.0
201.12729	19.0
201.16371	0.6
203.03510	0.6
203.07063	1.3
204.04205	6.7
204.06154	1.1
205.04964	1.1
205.12245	1.9
211.11211	3.8
214.09929	1.3
219.06525	39.2
219.13747	1.5
222.05217	1.3
229.04936	4.1
229.12256	20.2
229.15924	1.6
247.06023	100.0
247.13239	26.0
247.17056	2.1
248.06378	1.8
265.07095	29.5
266.07452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71119	1.4
57.82295	1.4
61.02910	2.1
70.06593	3.5
70.34825	5.2
72.08165	1.5
73.13004	1.4
73.59048	1.4
84.04491	1.9
84.08153	3.8
85.01425	3.3
86.09689	1.5
101.00899	20.6
101.79848	1.5
103.00620	2.3
103.02460	5.7
110.37878	1.5
113.00883	1.7
115.02464	3.5
118.08706	1.6
119.01933	18.9
121.01711	2.9
126.98743	2.3
130.08679	1.7
131.01927	3.7
132.10236	1.6
133.03482	21.3
138.52345	1.7
142.08661	4.6
143.01991	2.3
144.10214	2.0
144.99864	2.2
145.03459	4.0
151.04546	4.1
157.03514	2.3
159.03160	1.9
161.03004	3.1
168.99843	3.9
169.01190	1.3
171.01512	1.4
173.02997	1.6
175.04407	1.7
187.00928	6.2
187.02592	3.1
189.02417	1.5
190.27054	1.4
191.04074	1.9
191.83469	1.4
196.99301	3.6
199.04538	2.3
201.02504	3.0
201.06125	5.6
205.01935	1.8
215.00383	11.6
229.03244	32.2
229.05379	3.1
247.04337	100.0
247.06732	18.4
247.14088	3.6
255.48076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16035	3.4
52.78710	3.5
53.08248	3.6
60.08167	4.9
70.06572	4.9
70.94625	6.8
70.94960	5.9
77.97579	4.1
82.41122	3.6
84.08125	9.2
96.05476	4.0
96.42403	3.5
103.00656	4.9
104.10056	7.8
104.10753	100.0
118.08681	6.5
119.01970	4.8
121.01704	3.6
130.08717	5.5
130.09764	6.7
142.08698	6.2
143.01884	4.3
164.11052	3.6
169.87448	4.0
215.00499	4.5
229.03139	10.6
241.22653	3.9
247.04279	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	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23946	1.5
69.23467	16.8
70.06589	5.3
72.08150	3.8
74.02467	1.8
82.99821	1.9
84.04442	2.8
84.08134	4.0
85.01426	5.0
86.09722	4.1
95.97424	1.9
101.00883	14.3
103.02458	6.0
115.02420	4.7
118.08656	5.3
119.01929	17.8
121.03507	1.5
130.09735	2.6
131.01985	2.7
132.10251	1.9
133.03471	17.6
134.71687	1.8
137.02969	3.2
142.08640	3.0
144.10265	1.7
144.99847	2.3
145.03450	1.8
151.04520	3.9
157.03505	2.3
161.03038	3.0
167.03183	1.6
168.99890	3.9
175.04489	2.1
187.00923	5.0
191.03975	2.4
199.04517	1.8
201.02573	2.8
201.06125	6.3
215.00383	8.4
229.03293	35.7
229.05608	4.3
247.04327	100.0
247.06725	20.3
247.14017	2.8
265.07773	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	245.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05513	14.5
55.14952	1.3
56.05030	4.8
56.96548	4.1
57.03428	1.7
57.07082	19.9
65.03952	1.4
67.05500	1.7
68.05019	1.9
68.99786	2.1
69.03425	2.0
69.07061	2.2
69.96480	1.1
70.02944	1.3
70.06587	4.8
71.50961	2.0
79.05489	3.1
80.05019	1.5
81.07047	3.9
82.06566	2.8
83.04974	2.1
84.08134	3.3
84.24650	1.3
85.02894	2.3
86.06067	2.9
86.09706	7.4
87.05619	5.7
87.08110	100.0
89.26062	1.1
91.05459	5.8
93.07053	1.8
95.04972	2.9
95.08575	1.6
96.04488	1.3
97.02869	2.0
98.06034	2.7
98.97575	4.4
99.00741	1.1
99.08016	1.1
100.03993	8.5
103.05454	1.5
105.07043	1.8
107.04966	2.4
108.08115	4.0
110.09665	2.6
111.04430	2.1
111.05566	4.7
113.07144	8.9
114.05542	15.2
115.05447	3.2
116.98627	2.2
117.07047	2.2
119.04938	1.4
120.08090	1.3
121.06516	2.1
122.88800	1.1
123.04441	4.5
128.06227	1.2
129.10175	1.2
133.06459	2.1
139.03923	4.1
141.10251	2.0
142.03220	2.4
142.05003	17.6
147.04398	2.1
151.03900	3.0
154.04929	1.5
156.04166	2.8
157.06459	1.5
159.07663	38.5
161.05965	3.0
167.11826	1.4
171.04416	3.1
171.06570	2.5
172.10033	1.5
181.06512	1.7
186.11485	1.8
189.05498	2.8
196.09726	2.8
198.11674	1.4
199.03883	5.5
199.12474	7.2
203.03253	1.8
209.08112	4.1
213.05373	2.0
213.12329	21.5
214.11076	1.4
217.04997	2.2
217.08551	3.3
227.11780	9.1
227.13936	3.0
232.87930	1.3
245.04462	90.6
245.07866	5.5
245.12764	15.4
245.15279	2.4
246.05058	3.3
246.11275	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01862	5.5
55.05516	89.3
57.03193	2.0
57.03439	26.4
59.05009	2.0
67.05509	24.6
69.03436	10.4
69.07069	11.8
69.31916	11.1
69.32323	2.3
72.32530	1.5
73.41174	1.4
76.40495	1.7
79.05495	25.7
80.29266	1.4
81.07057	24.0
81.59280	1.4
83.04964	6.1
83.08626	48.9
85.06528	1.5
85.27975	1.6
87.04486	1.7
91.05466	6.1
93.07072	9.3
95.08601	3.7
97.10176	100.0
100.30000	1.7
101.09654	2.7
105.07034	3.9
107.08600	25.9
109.10165	5.9
111.08052	2.4
117.07044	2.3
119.08575	2.0
121.06514	3.1
125.09641	96.5
133.10083	2.0
135.08063	8.9
143.10678	3.6
145.10146	1.6
153.09093	7.1
159.11662	1.9
161.13298	1.7
171.10146	9.1
189.11226	92.1
190.11804	1.7
211.63426	1.5
218.10275	1.6
245.04372	1.6
245.13846	63.2
245.19090	3.4
245.22592	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0808
Annotation	4-methoxy-6-[(2R,3S)-3-phenyloxiran-2-yl]-2H-pyran-2-one
Peak:m/z	Relative Intensity
53.03947	8.2
53.78829	1.0
55.01872	1.6
55.05498	1.5
65.03942	5.7
67.05513	1.7
69.30402	7.8
71.04120	1.0
79.05486	2.2
80.05003	1.4
81.03428	8.7
81.07056	1.4
91.05486	100.0
93.07058	1.6
95.08585	1.3
95.36209	1.1
103.05470	1.9
105.03409	1.5
105.07019	2.6
107.04943	9.0
108.04451	1.0
109.02861	1.5
111.04430	1.2
115.05460	1.7
119.08539	0.9
121.02855	3.1
121.10182	1.1
122.06033	1.4
123.04420	1.8
124.07596	1.5
131.04865	1.0
131.99106	0.9
133.06432	1.1
135.04430	8.5
135.11700	1.4
136.05206	2.3
142.03252	7.1
143.08548	1.5
147.08066	1.5
149.02347	19.2
153.07019	2.4
157.06538	1.7
159.04430	2.0
160.89867	0.9
161.02368	2.0
163.03926	0.9
167.03416	24.4
171.04437	1.6
181.06459	1.9
185.06047	1.2
187.03938	3.3
189.05467	2.6
199.03867	1.5
199.07538	3.6
217.05038	1.6
227.07034	11.9
227.14308	1.2
245.04469	15.2
245.08125	21.5
245.15343	1.9
246.14905	3.1
260.52216	0.9
264.33456	1.1
267.98380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62114	1.4
54.03470	1.6
55.01875	2.0
55.05507	6.4
56.05036	4.4
56.96567	3.0
57.03435	10.1
58.06597	1.6
61.02932	6.1
66.03458	1.8
67.01851	2.1
67.05518	2.5
68.05025	4.4
69.03435	12.0
69.07076	34.6
69.40220	11.3
70.06580	4.8
71.04994	2.5
72.04513	5.9
73.02905	1.9
74.02438	2.9
74.06085	2.8
75.93738	1.5
79.05491	6.1
80.05021	2.4
81.03459	1.9
81.07054	6.0
82.02910	2.4
82.06596	13.4
82.14155	1.7
83.04955	2.0
84.00873	3.2
84.04513	17.3
84.08140	4.2
85.02922	15.1
86.06088	2.7
86.09715	2.4
87.71586	1.3
91.05506	5.5
93.05769	1.4
93.07041	6.1
94.02935	15.0
94.06574	2.5
95.04968	1.5
95.08602	1.8
96.04503	28.2
96.08121	3.8
97.02877	4.2
97.06563	1.7
98.09668	3.3
98.97594	4.9
100.04015	2.5
100.07613	3.1
102.01913	8.5
105.07031	3.0
106.06591	1.6
108.08114	8.0
109.06528	5.2
110.02418	25.6
110.06068	2.8
110.07198	3.5
110.09686	5.7
111.08053	2.0
112.03979	13.8
114.05519	9.1
116.98608	1.9
117.07056	1.9
120.08126	3.6
121.06556	2.9
122.06017	3.9
124.07571	3.0
126.09177	8.0
128.03448	45.8
128.04388	2.2
128.07106	10.4
128.98630	1.5
129.01842	2.3
130.05011	6.7
132.08073	1.9
134.09653	4.6
135.08076	3.2
136.07585	4.6
137.06015	3.3
138.09154	8.3
139.07541	2.5
140.03442	78.6
140.06999	4.1
149.63045	1.6
152.10762	2.3
156.02917	3.3
156.10190	14.2
158.04504	100.0
158.99696	2.5
162.09145	6.6
163.07611	1.8
174.03979	4.5
176.05571	58.6
180.10207	21.9
181.08607	3.1
182.11789	3.6
198.11279	42.5
199.04065	1.6
199.09712	4.7
199.15213	1.8
208.09744	2.3
216.12302	22.2
217.40294	1.6
226.10735	4.1
227.14627	1.7
244.06795	2.7
244.09714	2.4
244.11815	45.9
244.15677	3.5
245.04521	23.5
245.13005	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	244.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62114	1.4
54.03470	1.6
55.01875	2.0
55.05507	6.4
56.05036	4.4
56.96567	3.0
57.03435	10.1
58.06597	1.6
61.02932	6.1
66.03458	1.8
67.01851	2.1
67.05518	2.5
68.05025	4.4
69.03435	12.0
69.07076	34.6
69.40220	11.3
70.06580	4.8
71.04994	2.5
72.04513	5.9
73.02905	1.9
74.02438	2.9
74.06085	2.8
75.93738	1.5
79.05491	6.1
80.05021	2.4
81.03459	1.9
81.07054	6.0
82.02910	2.4
82.06596	13.4
82.14155	1.7
83.04955	2.0
84.00873	3.2
84.04513	17.3
84.08140	4.2
85.02922	15.1
86.06088	2.7
86.09715	2.4
87.71586	1.3
91.05506	5.5
93.05769	1.4
93.07041	6.1
94.02935	15.0
94.06574	2.5
95.04968	1.5
95.08602	1.8
96.04503	28.2
96.08121	3.8
97.02877	4.2
97.06563	1.7
98.09668	3.3
98.97594	4.9
100.04015	2.5
100.07613	3.1
102.01913	8.5
105.07031	3.0
106.06591	1.6
108.08114	8.0
109.06528	5.2
110.02418	25.6
110.06068	2.8
110.07198	3.5
110.09686	5.7
111.08053	2.0
112.03979	13.8
114.05519	9.1
116.98608	1.9
117.07056	1.9
120.08126	3.6
121.06556	2.9
122.06017	3.9
124.07571	3.0
126.09177	8.0
128.03448	45.8
128.04388	2.2
128.07106	10.4
128.98630	1.5
129.01842	2.3
130.05011	6.7
132.08073	1.9
134.09653	4.6
135.08076	3.2
136.07585	4.6
137.06015	3.3
138.09154	8.3
139.07541	2.5
140.03442	78.6
140.06999	4.1
149.63045	1.6
152.10762	2.3
156.02917	3.3
156.10190	14.2
158.04504	100.0
158.99696	2.5
162.09145	6.6
163.07611	1.8
174.03979	4.5
176.05571	58.6
180.10207	21.9
181.08607	3.1
182.11789	3.6
198.11279	42.5
199.04065	1.6
199.09712	4.7
199.15213	1.8
208.09744	2.3
216.12302	22.2
217.40294	1.6
226.10735	4.1
227.14627	1.7
244.06795	2.7
244.09714	2.4
244.11815	45.9
244.15677	3.5
245.04521	23.5
245.13005	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	244.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01873	5.0
55.05514	50.5
67.05474	0.8
69.07069	15.6
70.02952	4.0
70.84406	0.7
70.84709	0.9
73.57896	0.6
74.02443	29.4
79.07130	0.6
83.08623	58.3
84.08916	0.8
88.03998	50.1
92.93953	0.6
93.07067	0.8
100.11263	3.1
111.08083	17.3
116.03451	21.6
122.10529	0.8
128.10727	1.6
129.09126	1.2
134.04495	100.0
140.11513	1.0
143.43764	0.6
169.24216	0.7
174.06358	0.9
180.10226	8.3
184.12109	0.7
198.06386	2.0
198.11267	5.0
216.07401	0.9
226.10724	7.5
244.06860	6.4
244.11815	53.3
244.20190	1.5
245.04523	2.2
245.12115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35108	0.9
55.05513	1.3
55.93518	2.7
56.96549	2.8
57.03429	1.5
60.05653	36.2
62.54604	0.9
67.05498	2.3
69.03423	1.4
69.07071	36.9
69.88219	1.1
69.92153	4.0
70.06596	96.6
71.04992	3.1
71.92992	2.3
72.08165	7.8
72.93775	2.3
74.06089	1.4
75.50494	1.0
79.05510	2.0
81.03429	2.0
81.04520	2.6
81.07051	2.6
82.47211	1.0
83.04967	1.3
84.04511	11.6
84.08160	5.0
84.96029	0.9
84.99025	0.9
85.02902	1.9
86.09224	1.5
86.09708	18.4
88.07602	1.2
89.94035	2.2
90.94837	2.2
91.05478	3.1
93.07035	1.4
95.04955	1.8
97.02879	1.1
97.06538	6.3
97.07693	1.0
98.06052	1.4
98.20831	1.3
98.97570	3.6
105.07037	1.6
107.95074	1.2
112.08725	7.9
113.07107	1.2
114.10329	1.8
115.08674	6.8
116.07098	39.1
116.98660	1.3
117.54607	0.9
119.08580	1.4
121.06516	1.8
123.04423	1.8
123.08082	1.3
125.07030	0.9
127.03793	1.0
128.11852	7.9
128.98586	1.7
130.06482	1.1
130.09785	13.4
132.10231	5.6
132.95808	1.7
133.09674	6.1
137.06026	1.6
141.06929	1.2
149.96082	1.5
152.10693	1.7
158.09259	17.1
161.96124	2.2
175.11923	16.9
180.10205	1.6
191.97141	1.2
197.05910	1.0
197.12769	5.3
198.16025	12.2
201.00688	1.3
211.09171	1.7
215.06891	1.2
219.01845	1.4
225.09282	1.0
225.16992	1.2
226.15579	1.0
243.06570	5.1
243.10419	3.0
243.18190	100.0
263.32867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
55.93544	0.3
56.05030	0.7
56.96570	0.2
57.03431	0.3
58.06593	1.3
58.88188	0.3
60.05656	0.4
67.05496	0.2
69.03421	0.5
69.07060	0.5
70.06573	1.2
71.04997	0.4
71.50833	0.3
71.93005	0.3
72.93785	0.4
81.07067	0.4
82.06556	0.5
84.04511	2.9
84.08146	100.0
85.02904	0.4
85.08475	0.8
86.06085	1.1
86.09710	1.2
89.94025	0.3
90.94844	0.3
91.05498	0.8
95.04955	0.6
95.08595	0.4
96.04490	0.3
98.97585	0.4
105.07029	0.5
109.06496	0.3
110.07164	0.4
121.06521	0.3
130.08636	0.3
137.05966	0.3
141.13857	0.9
147.08078	0.3
161.96239	0.2
165.09160	0.2
167.97171	0.3
169.13356	1.3
197.13016	0.3
198.11238	0.5
207.06543	0.2
207.10172	0.2
215.07027	0.4
215.13889	5.1
219.01669	0.2
220.53580	0.2
243.06422	0.8
243.10243	0.5
243.13474	0.5
243.17014	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	243.1017
Annotation	Viteralone
Peak:m/z	Relative Intensity
55.01859	1.7
55.05502	2.0
56.31738	0.8
56.96560	1.6
57.03410	0.9
60.75515	0.8
65.03928	1.6
67.05488	2.0
68.99773	1.7
70.62014	2.7
79.05482	1.6
79.48819	0.8
81.03418	1.0
81.07061	5.2
86.89153	0.8
91.05470	3.1
95.04980	0.8
97.06556	1.1
105.07013	2.4
106.07363	1.3
107.04967	3.1
111.04496	0.9
115.05468	2.1
117.07072	1.0
119.04935	1.6
121.02897	7.5
121.06474	1.2
121.97105	0.9
123.04424	3.1
128.06227	1.3
129.07057	2.1
131.04959	1.3
131.08577	2.7
133.06479	1.3
133.10066	1.0
139.03941	4.3
140.06207	2.9
141.06999	8.3
141.43967	0.9
142.12308	1.5
145.06508	1.5
145.10103	1.1
147.04391	1.7
149.01163	1.9
149.02359	33.7
149.05998	1.4
152.06198	1.6
153.07025	3.0
154.07793	6.0
154.75679	0.8
155.08525	3.3
156.13814	0.9
157.06512	2.0
158.07214	1.1
159.08038	2.3
159.11661	2.1
160.05179	1.4
161.05939	2.1
165.07094	1.5
167.08559	2.6
168.05675	7.4
169.06529	5.7
169.10138	8.8
170.11847	1.2
171.08026	1.7
172.08836	1.4
173.06007	9.3
174.06819	4.4
178.07748	2.0
179.07239	0.9
179.08578	6.8
181.06497	3.4
182.07288	5.1
183.08038	2.2
185.05975	6.4
186.06790	9.8
187.07561	11.9
195.08141	1.2
197.05991	12.1
197.09615	12.1
199.07509	4.3
200.04730	1.1
200.08339	15.2
201.05495	3.5
201.09106	6.6
207.08060	1.1
210.06725	4.6
213.05478	5.2
213.09137	1.4
214.06262	31.1
214.09714	1.3
215.07092	33.6
215.10661	51.5
225.09146	15.1
228.07884	1.2
243.06584	16.2
243.10185	100.0
244.10509	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	243.1018
Annotation	2',4'-Dihydroxydihydrochalcone
Peak:m/z	Relative Intensity
53.03944	1.1
55.05496	0.9
56.96555	1.4
57.03435	0.8
67.05510	2.4
70.64471	0.9
70.64813	1.1
71.05011	0.9
79.05504	6.2
79.18997	0.5
81.07057	4.2
83.08622	1.0
84.08174	0.6
91.05481	1.7
95.04981	1.8
95.08627	0.7
97.02914	0.7
97.06516	0.6
98.97586	0.7
103.05478	5.8
103.38804	0.6
105.07039	100.0
107.08576	0.8
109.02844	0.6
117.43478	0.5
119.08565	0.7
121.02860	0.6
121.06512	0.7
129.13528	0.5
131.08539	0.8
133.10130	0.8
139.03915	2.2
141.07013	0.8
141.26978	0.5
144.08090	1.0
159.11671	0.7
169.02621	0.7
171.52802	0.5
173.06004	0.8
185.83516	0.6
197.05870	0.6
200.04700	0.7
215.07178	0.9
215.10645	0.6
223.09152	0.6
225.05493	0.7
225.09129	1.6
243.06578	2.0
243.10144	2.9
243.13849	1.2
243.17654	0.6
243.21158	0.9
244.22699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	Viteralone
Peak:m/z	Relative Intensity
55.01867	2.5
55.05506	1.2
56.96564	0.9
57.03442	1.1
65.03936	3.2
67.05493	2.0
68.99798	4.4
69.03420	0.9
71.51243	1.4
79.05498	0.9
81.03397	1.1
81.07064	4.1
91.05477	3.0
95.04986	0.9
105.07019	2.9
107.04948	6.2
113.68372	0.7
115.05453	2.3
116.06232	0.8
117.07014	1.5
119.04944	1.5
121.02881	18.2
121.06514	2.4
122.03152	0.9
123.04446	2.4
128.06206	2.0
129.06993	2.1
131.04958	3.2
131.08575	2.3
133.06477	2.2
139.03922	1.8
139.05519	1.2
140.06241	3.7
141.06984	13.7
144.05713	2.0
145.06482	2.9
145.10085	1.1
147.04456	3.5
147.08028	2.3
149.02351	85.9
150.02742	1.2
152.06204	0.8
153.07005	2.8
154.07765	6.6
155.04904	1.0
155.06088	0.8
155.08553	2.5
157.06474	1.5
158.07173	1.2
159.08031	2.0
159.11656	2.1
160.05214	1.4
161.05974	1.5
165.06999	1.6
167.03401	1.3
167.08586	1.6
168.05728	5.4
169.06514	11.3
169.10118	8.3
171.08011	2.1
173.05995	9.2
173.09689	1.0
174.06763	5.8
175.07607	1.5
179.08539	4.5
181.06450	2.5
182.07321	4.3
183.08063	2.7
185.05992	7.9
186.06793	12.2
187.07570	14.5
187.11188	2.4
196.05220	1.5
197.06000	18.3
197.09666	8.8
198.06563	1.1
199.07553	3.3
200.04735	1.1
200.08325	14.5
201.05446	2.3
201.09108	5.7
207.08070	2.2
210.06764	3.8
213.05476	5.8
213.09090	1.5
214.06262	32.7
215.07056	80.5
215.10609	45.6
216.07294	1.8
225.05637	1.1
225.09126	12.8
228.07918	1.2
243.06523	36.6
243.10184	100.0
244.06758	0.7
244.10518	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	243.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.9
58.99875	5.1
67.05492	1.9
69.03439	5.5
69.96204	2.4
69.96606	1.2
70.06583	1.1
77.00912	3.3
82.99863	3.2
85.01428	1.4
97.01423	1.4
98.97599	2.0
101.00893	26.9
107.03461	6.2
111.02969	3.2
113.00875	3.7
115.02488	2.2
116.98699	1.3
117.04017	1.9
119.01931	42.1
120.02037	1.2
121.01404	2.0
125.04522	3.3
127.02453	1.3
129.03987	9.8
131.01923	5.0
133.82660	0.9
135.02957	0.9
137.02968	7.0
137.04526	1.1
139.02394	4.0
140.98868	2.2
143.01944	3.5
144.19284	0.8
145.03473	5.3
145.81538	0.8
146.03613	1.1
146.04906	0.8
147.05092	2.8
151.02454	1.9
153.03995	8.3
155.05568	5.6
155.10818	0.8
157.03508	3.8
158.99869	4.0
159.05066	0.9
161.02985	4.7
163.04628	1.0
169.03520	9.7
169.05017	1.2
171.01488	0.8
171.03542	1.3
171.05045	28.1
171.06552	1.4
173.02907	4.1
173.06604	5.4
175.04669	1.0
177.00952	8.3
179.04044	1.2
181.03488	7.9
187.04590	6.3
189.02467	1.6
189.06128	14.8
197.02956	14.6
199.04526	11.1
201.00919	1.9
201.02562	6.5
205.05647	1.2
215.04015	36.2
216.04256	1.2
217.03960	1.3
217.05760	1.3
219.01991	11.7
220.02135	0.9
225.02557	3.4
233.05115	7.8
243.03632	29.5
243.16154	2.6
261.04953	100.0
262.05139	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0654
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01872	1.0
60.55802	0.2
62.08474	0.2
62.67952	0.2
65.03939	3.2
67.05497	0.3
68.99792	4.7
79.05510	0.5
81.07063	0.5
85.17759	0.2
89.82623	0.2
91.05484	1.2
95.01314	0.3
95.04960	0.3
95.08598	0.2
95.56697	0.3
98.23640	0.2
103.05440	0.4
105.03397	0.5
105.06997	0.4
107.04961	6.5
111.04436	0.5
115.05448	1.4
117.07005	1.2
119.04937	0.9
119.08572	0.9
121.02872	20.8
122.03189	0.3
123.04409	0.3
127.92180	0.2
129.06940	0.3
131.04942	1.7
131.08592	1.7
133.02864	0.7
133.06534	0.3
141.06990	7.9
144.05725	0.8
145.06514	1.6
147.04420	3.0
147.08043	2.5
149.02345	100.0
150.02791	1.0
152.06279	0.5
155.06062	0.7
156.04364	0.2
157.06474	0.5
159.08086	1.4
167.02116	0.3
167.03368	1.4
169.05008	0.5
169.06485	10.0
169.07578	0.4
170.07159	0.3
173.06004	2.4
185.05952	1.0
187.07573	2.5
197.05991	11.4
198.06609	0.7
200.04762	0.5
201.05333	0.3
213.05467	0.7
214.06122	0.4
215.07033	93.7
216.07341	1.5
225.05537	0.8
225.09026	0.4
226.06114	0.3
243.06531	39.5
244.06857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1175
Annotation	Onosmin A
Peak:m/z	Relative Intensity
53.03943	0.7
53.77468	0.3
60.35108	0.4
65.02142	0.3
65.03944	2.8
67.05532	0.5
70.01122	0.3
70.06599	0.5
71.18166	0.8
71.26218	0.3
79.05493	5.6
81.07077	0.8
87.68816	0.3
91.05514	0.4
93.03408	0.5
95.04992	1.1
103.05481	4.1
105.07037	90.9
106.07359	1.2
107.08604	0.4
111.04379	0.4
121.02874	100.0
121.52894	0.3
122.03187	1.2
122.09674	37.1
123.10007	0.5
138.05495	0.8
158.06927	0.5
188.85152	0.4
200.04691	0.5
214.05829	0.5
215.07085	1.1
242.05353	2.0
242.11772	26.5
243.06465	0.9
243.12167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	14.7
58.99864	21.0
59.06934	6.2
69.03442	18.4
69.65593	13.4
70.06575	4.2
77.00917	4.4
82.01443	26.0
82.30188	2.1
82.99832	5.8
84.08149	6.0
85.08476	5.2
89.15997	2.1
95.06115	2.7
96.04502	3.4
97.02920	2.3
98.97588	5.3
100.02483	32.7
101.00880	47.0
109.01366	2.1
110.07187	4.4
111.02947	8.9
112.68263	1.9
113.00803	2.3
115.02480	2.2
118.03519	11.7
119.01929	72.3
121.01642	2.5
127.02428	17.9
128.10793	2.4
129.03987	28.2
129.11090	2.3
129.96428	2.3
131.01942	3.8
133.03471	2.3
136.04547	2.1
137.02962	8.5
142.03448	2.5
145.03467	93.3
146.03566	3.1
147.05040	23.9
150.04028	5.9
152.05579	13.0
153.03928	2.9
154.03531	3.5
155.01901	3.8
156.57921	2.2
157.03479	9.8
161.02980	4.3
162.04047	3.5
163.04526	27.6
165.06073	4.7
165.07417	8.5
168.05058	58.2
169.03471	6.5
170.06630	42.0
171.01396	2.4
171.05052	11.7
173.02930	15.7
175.04515	2.3
177.00861	5.5
178.03606	3.8
180.05060	32.0
183.01324	2.3
186.06151	13.5
187.04529	5.7
188.07690	12.0
191.04027	30.4
193.02216	1.9
196.04550	48.3
196.09660	3.8
197.02985	9.9
197.04729	3.2
197.10020	5.3
198.06145	9.3
201.02425	22.3
205.05580	3.2
209.05078	3.6
214.05609	47.8
215.04012	43.2
215.05815	3.0
216.07240	4.7
219.01913	8.1
219.03748	19.8
224.04050	29.5
230.02985	2.5
232.06740	7.3
233.05176	15.9
233.07248	3.6
242.05106	78.0
242.10269	7.0
242.15810	100.0
260.06137	5.1
261.02841	8.8
261.04684	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	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21439	0.4
51.24860	0.4
51.67520	0.5
54.18554	0.4
56.96552	0.7
57.03445	0.4
58.06606	20.4
70.06592	3.5
71.49467	0.5
71.49860	0.8
72.08117	0.6
72.34383	0.4
73.02932	0.6
73.11904	0.4
81.03403	1.1
81.04530	0.6
84.08147	15.3
85.02896	0.7
97.02883	1.0
98.09687	2.2
98.97574	1.4
100.11278	0.6
101.00868	1.8
108.08076	0.5
114.05518	0.7
116.98595	0.8
119.01925	2.4
126.05541	0.6
128.10725	4.6
130.08673	0.7
131.01933	0.9
134.06020	3.1
136.07607	2.3
144.05106	0.9
144.10170	1.2
151.06044	0.5
152.07071	2.3
162.06184	0.7
163.08638	1.1
164.07082	42.5
168.05045	0.8
168.10229	1.0
170.06657	1.8
181.09755	2.1
182.08249	0.5
185.03194	0.5
186.06177	1.5
188.07706	1.6
196.04500	0.6
196.09694	5.7
199.05818	0.6
199.08057	0.5
200.07727	0.7
202.09265	1.4
209.01395	0.5
212.07726	0.6
220.10353	1.8
223.10823	2.2
227.02716	0.5
241.15489	100.0
242.08696	0.5
242.15692	1.9
259.11459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
58.06602	17.5
61.02932	0.5
67.24375	0.4
68.05043	0.4
69.03446	0.6
69.96432	2.0
70.06591	2.7
72.08154	0.5
74.50703	0.4
81.03400	1.0
84.07638	0.6
84.08145	10.0
96.04481	1.3
98.09683	1.8
98.36136	0.5
99.27157	0.4
100.11286	0.8
101.00890	1.9
101.02001	0.7
102.00941	0.5
104.10747	3.8
112.11774	0.4
116.07129	0.9
119.01910	2.0
119.03008	0.6
126.04021	1.3
128.10724	3.8
136.02379	0.5
143.01939	0.5
143.03030	0.5
144.05055	4.5
144.10175	1.6
154.03520	0.9
155.06592	1.1
160.59705	0.5
161.04056	2.7
162.06139	3.0
164.07054	1.5
168.10178	0.8
173.07771	1.0
178.03467	0.9
185.02904	0.5
196.04578	3.9
196.09676	4.8
199.02002	0.8
199.05627	2.8
213.16141	0.6
214.05659	0.8
217.06664	0.9
223.05615	0.8
241.06940	3.8
241.15475	100.0
242.05110	0.7
242.15796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05498	0.2
56.96561	0.3
57.03421	0.3
58.06603	17.7
62.98461	0.3
67.05484	0.2
70.06599	2.6
70.58021	0.2
70.58344	0.6
71.04984	0.2
72.08170	0.3
73.27526	0.2
81.03413	0.6
84.08149	8.9
85.29417	0.2
97.02849	0.3
98.06032	0.3
98.09692	1.7
98.97583	0.8
100.11246	0.5
101.00907	0.3
116.07081	0.5
116.98656	0.3
119.01926	0.6
126.05537	0.3
126.09161	0.3
127.09572	0.2
128.10713	3.8
136.07555	0.3
144.10193	1.0
152.07063	0.3
156.32841	0.2
161.04062	0.3
163.08597	0.2
164.07069	4.6
168.10236	1.2
181.09758	0.5
182.03325	0.2
184.98177	0.2
196.04633	0.3
196.07948	0.4
196.09709	5.6
199.08430	0.2
213.15927	0.3
214.05630	0.3
223.11012	0.3
233.45316	0.2
241.15475	100.0
242.15811	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
58.06605	18.3
69.94546	1.9
70.06597	3.6
72.08131	0.5
81.03445	0.5
84.08147	10.3
98.06079	0.5
98.09695	1.1
98.20791	0.4
101.00887	0.5
113.00836	0.6
116.07077	0.6
119.01939	0.8
126.98784	1.1
127.02400	1.3
128.10725	4.1
131.01921	1.0
133.03517	0.5
144.05049	0.7
144.10193	1.4
144.99837	3.1
145.03470	5.1
147.05048	0.4
152.07094	0.6
155.01936	0.7
157.03462	0.7
163.04492	1.7
164.07018	0.4
168.10275	0.9
173.02983	0.8
185.02979	0.4
191.04068	1.9
196.09679	6.1
196.11296	0.6
203.04091	0.6
213.16029	0.4
241.01857	1.3
241.15485	100.0
242.05103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35750	0.2
55.05502	0.6
56.05019	0.9
58.06591	0.2
65.91597	0.2
67.05500	0.7
68.05008	0.3
69.03437	0.2
69.07063	0.6
70.06588	0.6
70.63027	0.7
72.04509	0.9
73.31821	0.2
74.06074	0.7
77.01477	0.2
79.05495	1.0
81.07054	1.4
82.06573	0.4
84.05656	0.3
88.07638	0.2
89.77217	0.2
90.64371	0.2
91.05415	0.2
93.07043	1.3
94.06575	0.7
95.08623	1.4
96.08105	0.4
98.09748	0.3
100.07623	0.4
107.08579	0.8
107.99545	0.2
108.08132	1.1
109.08924	0.2
109.10183	0.3
110.09696	0.6
112.07605	0.4
114.09174	0.5
120.08147	0.3
122.09666	1.3
123.10484	0.3
123.11710	0.5
124.07591	4.4
126.09128	0.5
128.10703	0.4
135.11678	0.7
136.11221	2.3
137.13235	0.4
138.09157	0.9
139.09940	1.2
140.10699	0.8
142.12306	1.2
148.07623	0.4
150.12758	1.5
151.13525	0.6
152.10719	2.4
152.14360	0.6
153.11470	1.0
154.12292	2.9
166.12285	5.0
166.13626	0.4
167.13086	2.1
168.13902	1.3
175.09784	0.3
178.15923	0.6
194.15405	2.1
196.16977	100.0
197.17372	1.5
198.18549	1.5
209.05910	0.5
236.38908	0.2
240.15755	1.2
240.19597	47.0
241.19989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0915
Annotation	7-Methoxymalbranicin
Peak:m/z	Relative Intensity
53.03946	1.6
55.01877	3.4
55.05515	17.6
57.03444	3.3
65.03945	1.5
67.05508	11.3
68.17083	0.7
69.03439	8.7
69.07062	1.6
71.01367	1.7
71.05008	6.1
79.05486	3.0
81.03431	2.9
81.07062	4.8
83.04986	100.0
85.02910	8.2
85.06559	1.4
91.05496	3.2
93.07074	2.7
94.46613	0.7
95.04974	15.8
95.08618	4.7
97.02909	1.6
97.06550	3.4
99.04471	7.7
100.11279	0.9
103.05505	0.8
105.07037	4.4
107.04955	1.5
107.08589	1.8
109.02842	3.3
109.06533	2.4
109.10175	2.2
109.21475	0.7
111.04450	24.9
111.08069	1.1
113.06030	7.2
119.08579	1.5
121.06495	5.7
121.10091	1.6
123.04465	1.7
123.08079	2.2
125.05995	1.9
127.03918	6.6
133.06509	2.1
133.10120	1.0
135.04420	4.7
135.11696	0.9
137.05963	3.8
141.05466	1.1
147.08112	2.0
147.11749	1.0
149.06021	1.7
151.07596	2.4
153.05464	12.8
157.04976	7.6
165.05421	0.8
165.09157	1.4
165.12691	0.9
171.15012	1.1
175.07587	1.1
179.07091	2.0
193.08670	2.0
211.09647	1.0
221.08205	2.4
239.09132	15.7
239.18053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
62.39811	0.7
69.56526	4.2
70.02962	9.3
71.01336	1.2
78.03452	17.1
79.05483	0.8
80.14017	0.7
81.07053	1.0
87.66728	0.9
88.03986	1.2
89.06034	10.5
96.04496	95.0
99.00834	8.0
105.04510	2.8
105.57245	0.7
106.02916	13.2
123.05558	41.1
124.03960	100.0
125.04307	1.1
133.08600	3.1
135.05544	1.9
149.07118	9.8
175.05037	52.3
179.04544	9.3
193.06102	59.3
221.05595	30.4
227.53104	0.8
239.06651	15.6
239.08900	3.5
247.68379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	(E,E)-10-hydroxy-2,6,10-trimethyl-2,6,11-Dodecatrienal
Peak:m/z	Relative Intensity
53.03941	4.6
55.01873	6.1
55.05523	12.2
57.03423	6.5
57.07071	7.2
59.04993	8.6
62.81622	2.3
67.05511	24.9
68.62029	2.2
69.03435	17.6
69.07072	14.7
70.61915	7.9
71.05004	28.9
71.08617	2.8
77.13710	2.4
79.05507	26.9
81.03410	2.7
81.07066	100.0
83.04992	6.7
83.08616	6.0
85.06544	7.0
91.05486	16.4
93.07057	31.2
95.04974	5.4
95.08612	28.1
95.62186	2.6
97.06518	11.2
97.10175	6.3
97.32542	2.5
99.08103	42.9
103.05474	4.2
105.07033	33.4
107.08605	40.1
109.06518	20.0
109.10162	33.6
111.08104	5.2
111.48901	2.3
115.05491	3.2
116.28925	2.7
117.07057	5.2
119.08580	21.1
121.06528	7.8
121.10155	31.4
122.06836	3.6
123.04414	4.8
123.08084	9.3
123.11705	11.6
125.09653	7.2
127.07559	17.4
127.11208	25.7
131.05035	2.9
131.08553	8.3
133.10146	44.6
135.08087	13.0
135.11717	19.3
137.09613	39.5
137.13148	2.7
139.03915	23.3
139.54620	2.6
143.10698	5.8
145.10129	18.6
147.11758	12.4
149.09615	6.9
149.13303	13.8
151.03928	43.6
151.11195	41.9
155.10654	10.6
159.11728	16.5
161.09659	2.5
161.13284	12.7
163.07550	3.7
163.11185	6.6
169.12234	6.1
175.07486	3.0
175.14861	5.3
176.33839	2.6
177.05411	2.7
177.12823	5.1
179.14359	23.4
181.70824	2.5
191.03354	5.2
191.07011	4.4
191.17967	12.9
192.69954	2.4
193.08650	31.6
201.16371	13.1
219.10217	5.1
219.14087	4.9
219.17426	30.4
232.82916	2.8
237.11208	9.2
237.14888	9.2
237.18503	18.9
237.21347	4.8
245.96655	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	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
54.49644	0.4
55.01875	2.4
55.05515	1.2
57.03441	6.5
57.93570	0.5
61.84198	0.4
62.50529	0.4
65.03931	0.8
67.05510	3.5
68.99793	1.0
69.07066	1.9
71.04992	0.5
75.80289	0.5
79.05501	1.6
81.03439	3.3
81.07056	4.1
83.04989	1.1
91.05466	1.1
93.07047	1.6
95.04971	1.8
95.08610	2.5
97.02882	1.1
97.06522	1.3
99.08099	1.6
104.07108	0.9
105.03381	1.3
105.07030	1.2
107.04973	0.7
107.08580	2.1
109.02140	0.7
109.02888	12.0
109.06556	1.0
109.10162	1.6
111.04436	2.1
115.05571	0.6
119.08580	0.8
121.06516	0.9
121.10159	1.3
123.04458	4.9
123.08092	0.6
123.11729	0.9
125.09616	0.6
127.03940	3.4
131.08591	1.1
133.10158	0.8
135.04410	0.6
135.11707	0.8
139.03912	60.8
140.04141	0.5
145.10115	1.0
147.04347	0.6
149.09676	0.6
149.13321	0.8
151.03914	100.0
151.11215	0.6
152.04233	1.2
161.05977	0.5
163.03983	0.6
169.05006	1.1
169.08661	1.1
171.73863	0.5
173.13316	0.6
177.08997	0.5
191.03337	0.5
193.08620	75.5
194.08972	0.7
219.10258	0.9
219.13911	0.6
219.17612	1.0
228.99881	0.5
237.08868	1.1
237.11223	20.6
237.18524	1.2
237.22017	0.6
238.11580	0.6
245.96777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
55.01866	2.1
55.05516	1.4
57.03443	5.0
63.53556	0.4
65.03954	0.9
65.35587	0.4
67.05509	2.0
68.99797	0.6
69.03438	0.6
69.07076	0.9
69.45114	3.0
71.05008	0.6
79.05492	1.9
81.03434	2.8
81.07055	3.3
83.04988	0.8
91.05482	1.1
93.03374	0.6
93.07041	1.4
95.04956	1.9
95.08618	2.1
97.02861	0.5
97.06551	1.0
99.08101	1.8
103.05450	0.5
105.03380	0.9
105.04523	0.5
105.07023	1.3
107.04955	0.6
107.08589	1.4
109.02886	9.8
109.10171	0.8
111.04454	2.3
119.08589	0.9
121.06476	1.3
121.10152	1.5
123.04437	4.4
123.08132	0.7
123.11726	0.6
127.03898	3.4
129.07034	0.5
131.08591	0.6
133.10135	0.8
135.04477	0.6
135.08095	0.7
135.11685	0.6
139.03906	58.3
140.04225	0.5
145.10213	0.7
149.05989	0.8
149.13232	0.4
149.63965	0.4
151.03906	100.0
152.04262	1.6
159.88977	0.4
161.06100	0.5
163.03860	0.5
163.11224	0.4
165.07339	0.7
169.04962	1.9
169.08687	0.9
171.78038	0.5
175.07501	0.4
177.05469	0.9
191.07011	1.4
191.10645	0.9
191.14447	0.4
192.06383	0.4
193.08612	69.6
194.08943	1.0
209.13625	0.7
219.10110	1.2
219.13885	0.6
237.05597	0.6
237.11176	21.1
237.13107	1.8
237.18413	0.7
237.22108	0.5
238.11580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.076
Annotation	CHEBI:67765
Peak:m/z	Relative Intensity
53.00300	2.3
53.03949	13.3
55.01874	32.0
55.05510	19.6
56.96573	3.1
57.03442	21.5
57.07059	2.9
65.03954	10.7
67.05510	30.0
68.99776	7.4
69.03428	11.3
69.07081	11.2
69.37273	17.5
71.01347	8.6
71.04987	7.8
73.02900	4.1
77.03924	2.9
79.05497	63.7
80.06283	2.5
81.03411	14.6
81.07059	82.8
83.01335	13.4
83.04988	45.5
83.08616	3.4
85.02892	7.3
85.06495	3.0
89.14660	2.4
91.05484	76.2
93.07047	30.6
94.04143	3.6
95.01321	3.3
95.04971	30.9
95.08612	20.9
97.02896	4.9
97.06528	17.2
98.21482	3.8
101.02387	3.2
103.05473	22.6
105.03400	3.0
105.04504	5.4
105.07029	29.5
107.04962	41.2
107.08585	23.0
108.08125	3.1
109.02878	11.5
109.05804	3.7
109.06525	66.5
109.10183	13.2
111.04443	9.7
111.08052	5.8
111.11726	2.4
115.05464	17.7
117.07028	25.3
119.04953	11.5
119.08588	18.7
121.02844	6.9
121.06522	20.6
121.10144	12.8
123.00741	2.5
123.04420	6.4
123.08056	6.4
123.11756	3.3
125.02319	6.9
125.05991	6.2
127.03919	6.2
127.07572	2.8
127.11190	6.4
128.06206	3.7
130.07805	2.9
131.04926	25.7
131.08612	11.4
131.09431	2.2
131.12979	2.1
133.06476	8.9
133.10112	14.9
135.04422	26.0
135.08064	25.5
135.11702	13.4
137.02313	2.7
137.05028	3.7
137.05988	59.9
137.09579	3.9
139.03896	5.2
139.07445	2.8
139.11171	3.1
144.05670	3.7
145.02774	2.2
145.06461	19.6
145.10126	12.6
146.07251	2.5
147.04446	12.3
147.05403	2.4
147.07986	9.1
147.11673	4.8
148.05215	13.7
149.02357	33.5
149.03458	5.0
149.05983	15.7
149.09610	3.8
149.13289	3.0
151.03888	4.0
151.07489	6.3
151.11235	12.5
153.05447	6.9
155.03442	3.0
155.06007	3.1
157.06464	4.0
158.07254	3.9
159.08049	2.9
159.11700	8.0
160.05188	4.0
161.06007	11.1
161.09599	4.1
161.13322	5.3
163.03903	18.1
163.07547	53.0
163.11147	4.6
165.05475	23.6
167.03410	2.5
170.63524	2.7
171.02812	2.1
173.05980	19.4
173.09734	5.0
173.13190	2.8
174.06802	4.0
175.07556	8.6
175.14859	3.3
177.05461	15.3
177.12738	5.7
179.07011	7.6
181.04930	9.2
181.06340	2.3
181.08640	5.1
189.05495	3.4
189.09097	8.8
191.03423	5.2
191.07042	94.4
191.10667	4.0
191.14230	3.1
193.04996	25.2
193.08701	4.4
195.02960	3.0
195.06462	2.9
196.56725	2.3
201.05479	8.3
201.16338	6.6
209.08112	14.7
219.06572	34.2
219.10043	14.2
219.13786	3.2
219.17435	21.1
237.05663	4.0
237.07561	100.0
237.11241	5.8
237.14873	5.0
237.18532	16.1
237.22147	3.2
255.08635	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	237.0758
Annotation	DECARBOXYHYDROXYCITRINONE
Peak:m/z	Relative Intensity
51.55917	2.0
53.03967	2.6
55.01871	13.7
55.05520	4.9
56.05050	2.2
56.96573	4.0
57.03440	4.2
57.07095	4.2
65.03931	3.2
67.05525	6.8
69.03443	5.9
69.07077	5.4
70.06593	3.7
71.04995	2.0
71.31006	2.0
71.50653	3.0
73.02939	2.6
79.05492	11.0
79.71652	1.8
81.03428	5.3
81.07075	4.5
83.05003	2.5
84.08153	26.1
85.02927	5.5
85.08483	5.6
91.05488	17.1
92.05830	2.0
93.07065	4.7
95.04992	5.1
95.08654	2.0
96.04530	3.0
97.02929	5.1
97.06570	2.2
98.97604	6.4
103.05492	24.0
105.03396	5.4
105.04532	2.1
105.07071	4.4
107.04985	8.8
107.08615	3.2
109.02898	2.7
110.97628	2.6
115.05423	3.0
116.07175	2.2
119.04947	14.2
119.07357	5.0
120.08158	3.7
121.06473	9.5
122.06028	1.9
129.10283	4.9
131.04933	25.6
133.02861	5.4
134.06046	2.5
135.04430	3.2
135.08025	2.3
136.05096	2.4
137.05972	9.7
142.05049	2.8
145.06493	3.9
146.06032	5.5
146.09666	3.7
147.04399	20.5
148.05226	4.4
149.06047	9.8
151.03973	5.0
151.07555	3.9
159.04417	17.8
161.05998	3.1
162.03145	16.8
163.03851	3.9
163.07573	4.5
165.05518	4.7
173.06096	3.7
175.03900	13.8
176.04741	6.0
177.05489	100.0
179.07130	2.4
187.03883	2.4
190.06331	6.5
191.03427	4.1
191.06982	17.0
192.10266	1.9
193.05016	4.3
196.58948	3.6
196.98076	1.8
201.05531	6.3
204.04242	3.2
204.12686	1.9
205.05026	9.0
205.10112	2.9
207.06564	4.9
209.08157	5.2
219.01767	2.4
219.06551	48.0
219.08569	3.4
237.02567	2.4
237.07449	13.2
237.12480	8.9
237.15111	2.8
237.17699	2.3
237.22269	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	236.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32430	0.6
55.05521	1.5
57.07086	3.0
64.62801	0.7
67.05502	1.4
68.69736	0.7
69.07072	1.1
69.57133	1.5
69.57548	3.7
70.06596	0.7
74.24294	0.6
79.05502	1.5
81.07074	1.0
84.08157	0.9
85.38068	0.6
91.05470	3.6
92.05869	0.9
93.07025	1.1
95.04996	1.4
95.08606	1.3
96.43018	0.6
97.14620	0.6
100.11228	1.0
102.83899	0.7
103.05464	15.2
104.07124	1.0
105.07064	1.5
106.02940	1.2
107.04961	1.3
107.08589	1.0
114.27858	0.7
115.05464	2.4
117.07027	12.1
119.05010	0.9
119.08599	1.5
120.08143	0.8
121.06528	1.9
121.10173	0.8
123.04414	5.1
131.04935	40.4
131.08578	3.9
133.10162	0.9
135.08031	1.2
137.05962	7.8
144.05623	0.7
145.06482	18.6
147.04373	1.4
147.08119	0.7
148.05206	1.0
149.05986	100.0
150.06323	1.4
156.50316	0.7
159.08049	4.7
162.06778	2.5
163.07549	33.9
166.08702	0.9
173.13239	0.7
176.11636	0.8
177.09090	3.1
180.11031	0.7
191.07042	1.3
201.12773	1.9
219.13808	53.7
236.16467	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
52.95839	1.0
53.03938	2.5
55.01868	2.8
55.05516	8.4
57.07079	22.6
58.40434	1.0
58.96099	1.3
59.04982	2.9
67.05180	1.6
67.05508	21.2
69.03442	6.9
69.07076	16.0
70.95522	2.0
70.95875	1.2
71.04980	3.8
71.57650	1.1
76.73542	1.2
79.05500	14.0
81.03429	1.8
81.07059	27.3
83.04974	3.0
83.08627	5.9
85.06531	4.4
90.75536	1.1
91.05482	20.9
93.07046	20.0
95.04967	7.8
95.08611	31.4
97.06551	12.4
97.10171	1.2
99.08078	2.1
99.98713	1.5
103.05496	2.0
105.07040	29.3
107.04922	1.5
107.08605	34.0
109.06502	9.0
109.10164	18.5
111.08059	4.0
113.09677	1.5
115.05461	2.4
117.07030	5.4
119.08591	89.2
121.06506	3.5
121.10149	20.7
123.04395	2.3
123.08077	3.7
123.11724	8.3
125.09576	1.3
128.06221	3.5
129.07019	3.6
130.07791	1.2
131.04976	1.2
131.08586	13.2
133.06496	1.9
133.10136	55.7
135.07127	1.7
135.08069	19.0
135.11678	10.9
137.09636	7.4
137.13234	1.9
139.11169	3.2
142.07759	3.6
143.08594	9.5
144.09279	2.8
145.10141	13.9
147.08086	6.5
147.11693	23.0
149.09605	5.3
149.13246	3.0
151.11253	8.5
156.09378	3.7
157.10143	11.5
158.10899	4.5
159.11708	14.3
160.08855	1.9
161.09628	31.0
161.13271	5.0
170.10899	1.8
171.11678	7.8
173.13255	20.3
174.13832	1.2
175.11234	12.2
175.14830	21.8
177.12764	5.1
179.10695	20.6
184.12512	3.2
187.11203	2.7
187.14796	3.3
189.12743	2.4
189.16386	21.6
191.07166	1.6
191.14320	5.0
193.12189	1.3
193.15939	2.9
195.73827	1.0
199.14842	13.3
202.13477	2.1
206.87039	1.2
217.15892	90.2
217.19498	10.9
218.16187	1.9
220.12581	1.5
235.16948	100.0
235.20430	14.1
236.17239	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1491
Annotation	Crispine A
Peak:m/z	Relative Intensity
50.70054	0.3
52.61285	0.3
55.05511	0.8
57.07066	0.5
58.06607	2.0
62.59164	0.3
66.23244	0.3
67.05515	0.6
69.07081	1.8
70.06608	1.7
70.07385	1.0
71.06132	0.5
71.50821	0.3
72.08150	0.7
77.17983	0.4
79.05497	1.1
81.07060	1.0
82.25042	0.3
84.08140	0.4
91.05485	2.8
92.05824	1.4
93.07050	1.0
95.08594	1.0
97.06522	1.4
97.07629	0.8
98.06874	0.9
98.09689	0.6
104.08433	0.4
105.07021	1.1
107.08579	0.8
109.06493	0.4
111.09231	0.4
112.08758	0.4
114.10318	1.0
119.04919	0.5
119.08559	0.7
120.05283	0.9
121.06493	0.8
123.08029	0.6
125.06776	0.4
130.06502	0.8
131.08504	0.5
132.08034	0.4
137.05991	2.9
138.05374	0.5
138.06329	4.6
139.03911	1.1
144.08099	0.4
146.09528	0.4
146.10619	0.4
151.13612	0.4
158.64139	0.4
160.11198	1.1
166.02116	0.5
175.07487	1.0
176.07077	25.3
177.04961	0.8
177.07542	0.5
179.10788	0.4
181.15176	2.4
181.65269	0.4
188.07149	0.5
189.15022	0.8
190.08632	10.3
191.06975	0.6
191.09442	2.6
192.10242	0.8
203.14729	2.3
204.10220	8.8
205.10844	0.5
216.07379	0.3
216.11011	0.5
218.11716	0.7
225.16060	0.7
227.68639	0.3
234.14909	100.0
235.14989	1.9
235.17130	1.0
243.58987	0.3
246.12474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
55.53257	0.6
57.01918	0.7
57.03426	2.5
57.07069	2.2
58.06605	0.8
63.95561	0.6
67.05489	1.0
69.06737	0.8
69.07072	10.0
70.85916	1.9
72.08166	4.4
79.05481	2.5
81.07070	5.3
85.96648	0.6
86.09706	3.3
91.05479	5.7
94.04028	1.9
97.06516	1.5
98.06860	1.0
98.97556	1.5
100.51266	0.7
103.05463	2.4
105.07008	2.1
115.05492	3.5
117.07001	1.3
118.06549	3.2
119.03561	3.0
120.08109	6.8
121.06522	1.6
123.04449	5.1
128.06213	0.9
129.07019	8.2
130.04137	1.3
131.04959	3.3
132.08110	1.4
133.06474	1.6
133.08891	1.3
136.06195	100.0
137.04568	0.9
137.05991	2.5
138.06343	1.1
143.04944	3.1
143.08549	1.8
144.05676	0.9
145.06491	1.8
146.06026	5.8
147.04391	3.8
147.08005	1.1
148.05174	2.7
148.06203	0.7
149.05995	8.0
156.09326	1.0
157.06534	4.9
160.05228	1.4
161.05991	40.8
161.08144	1.2
162.06706	1.5
163.06322	0.9
163.07532	1.0
164.07065	6.5
171.08069	2.0
171.11688	2.8
175.07562	20.4
176.10718	3.0
177.11481	2.7
184.08795	0.8
188.06944	1.0
188.08401	1.0
189.09094	4.8
190.08629	5.6
190.10805	1.8
190.12296	3.2
199.11212	4.3
206.08156	0.8
217.10194	1.6
217.12267	30.7
234.13441	41.0
234.15100	27.0
235.13420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
55.05516	4.0
57.03431	2.2
57.07070	1.0
58.06591	3.1
60.15379	0.8
64.85598	0.8
69.07072	10.2
70.65688	1.7
70.66048	1.4
72.06922	0.9
72.08149	3.1
77.62810	0.9
79.05498	2.0
81.07066	7.0
83.74311	0.7
88.03981	1.8
91.05488	9.3
93.07050	0.7
94.04051	1.1
94.30814	0.7
98.09676	1.0
103.05472	2.3
105.07040	2.8
115.05435	4.6
116.06250	1.3
117.07019	1.5
118.06558	1.2
119.03577	2.2
121.06507	0.9
122.97626	0.8
123.04448	9.6
128.06259	2.7
129.07007	15.0
130.04167	1.9
131.04947	6.7
132.05540	0.9
133.06578	1.7
136.06190	100.0
137.04608	1.6
137.05983	5.9
141.06963	1.2
142.07822	1.6
143.04924	6.5
143.08543	4.1
144.05707	1.9
145.06468	2.2
146.06013	2.2
147.04411	8.3
147.08061	1.2
148.05165	6.3
149.05991	23.5
149.07149	1.7
151.07613	1.5
157.06502	10.9
160.05177	3.1
161.05989	35.5
162.06749	7.0
163.07498	1.4
164.07071	55.5
170.07291	1.9
171.08061	3.9
171.11736	4.3
173.06003	1.8
175.07558	40.4
184.08856	1.2
188.08340	2.7
189.09087	3.8
190.10866	2.9
199.11218	5.7
217.12253	40.8
234.13495	47.3
234.15182	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27980	0.3
55.05531	1.4
57.03440	2.8
69.07088	0.8
70.02967	1.0
70.95646	0.7
70.95975	0.4
79.05511	1.4
81.07061	3.7
88.03996	6.9
91.05487	20.1
92.40652	0.3
94.04072	0.9
98.02406	0.8
99.00829	0.8
105.07082	0.4
116.03445	0.8
117.07075	0.5
118.06534	0.6
119.03569	2.5
120.08109	0.7
123.04443	0.5
129.06999	1.1
131.04922	0.5
136.06195	100.0
137.04576	1.2
143.04910	0.5
146.06055	0.4
147.04439	0.7
149.06000	1.4
157.06488	0.7
157.44266	0.3
161.05988	2.8
162.06752	0.6
164.07071	3.9
171.11737	0.5
175.07578	2.5
190.10872	2.3
199.11174	0.5
217.12250	3.3
220.03079	0.3
234.13460	60.9
235.13654	0.7
247.85429	0.4
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
55.05514	0.4
56.38283	0.3
57.03439	0.3
65.03940	0.7
66.06258	0.3
70.02961	4.7
70.64837	0.3
70.94887	0.7
71.01355	0.7
74.02446	0.7
74.77600	0.3
81.07030	0.6
88.03999	40.7
91.05489	100.0
92.05825	1.1
98.02426	2.8
99.00832	5.4
104.33241	0.3
113.66189	0.3
114.96121	0.3
116.03467	3.0
118.06557	1.3
119.03569	0.7
133.84245	0.3
136.06204	14.7
136.07585	6.7
146.06021	2.5
187.37901	0.3
192.06563	0.5
206.08203	0.5
216.12476	0.5
234.07697	0.8
234.13521	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	234.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90747	0.2
65.03938	0.8
70.02956	5.0
70.65172	0.7
71.01356	0.6
74.02444	0.7
88.03998	39.3
91.05488	100.0
92.05830	0.7
95.58765	0.3
98.02422	3.0
99.00823	5.8
107.00287	0.3
109.59289	0.3
116.03458	3.2
118.06568	1.1
118.76904	0.2
136.06221	2.7
136.07613	6.6
146.06023	2.1
176.94141	0.2
191.85922	0.3
192.06615	0.5
206.08243	0.9
216.12572	0.8
234.07703	0.9
234.13507	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	233.1539
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03931	0.8
55.01839	0.9
55.05502	2.8
56.96560	1.9
57.03426	1.3
57.07061	2.3
65.03950	0.8
67.05239	0.6
67.05511	6.2
69.03433	4.3
69.07069	5.4
71.04974	1.0
71.51130	1.3
79.05132	0.7
79.05499	7.0
81.03405	1.1
81.07069	4.5
83.04989	1.7
83.08620	1.0
84.08144	1.3
85.06539	2.2
91.05483	12.1
93.07057	7.2
95.04984	5.2
95.08621	4.0
97.06551	5.6
101.12293	0.7
103.05443	0.9
105.07042	11.2
107.04975	4.1
107.08612	7.8
109.02773	0.7
109.06522	4.4
109.10162	1.9
111.04434	0.8
115.05448	1.1
116.06242	1.1
117.07028	4.8
119.04954	2.2
119.08595	9.2
121.06518	11.2
121.10152	4.3
123.04462	1.6
123.08060	2.5
128.06242	1.3
129.07019	1.8
130.07782	1.9
131.04912	0.9
131.08582	13.4
133.06499	2.5
133.10156	6.2
135.04466	0.7
135.08083	3.2
135.11731	1.1
137.05981	9.3
137.09662	1.6
139.03912	6.1
141.07011	1.2
142.07787	1.9
143.08578	3.7
144.09280	0.8
145.06453	2.4
145.10130	14.6
147.04431	1.6
147.08061	2.9
147.11652	3.3
149.05978	1.8
149.09630	7.8
151.03912	1.8
155.08562	3.0
156.09328	2.8
156.27771	0.7
157.10136	5.0
158.07364	0.9
158.10915	2.0
159.08070	12.2
159.11697	5.6
161.05968	1.2
161.09676	0.8
161.13300	1.8
163.03912	0.8
163.07535	1.8
163.11198	1.4
165.01851	4.1
167.08568	3.2
169.10115	3.8
171.11725	4.4
172.12482	1.9
173.06044	1.2
173.09650	7.4
173.13260	7.8
175.07594	1.0
175.11191	2.1
176.04692	3.4
177.05455	3.0
177.09108	3.1
179.03493	1.0
182.10927	6.4
183.02899	0.9
185.09631	1.3
187.07549	1.9
187.11186	2.5
187.14836	8.4
188.18701	0.8
189.05428	1.1
189.09114	1.6
189.12729	3.5
191.03426	2.0
191.07053	1.0
191.10541	0.7
191.14349	2.7
197.09569	0.7
197.13284	13.2
200.11998	1.7
205.08598	3.0
205.12267	1.1
205.15958	0.7
215.07004	1.4
215.10715	2.0
215.14319	32.4
216.07161	0.7
233.08075	12.2
233.11955	4.8
233.15376	100.0
234.15691	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03948	3.6
55.01873	0.8
55.05515	4.2
57.07061	0.9
67.05508	1.5
69.03431	4.3
69.07077	1.0
69.17489	2.1
69.17912	2.5
71.04999	0.8
77.03942	0.7
79.05499	58.9
80.06291	0.6
81.03437	0.5
81.07053	3.3
81.59076	0.5
83.04972	1.4
83.08633	5.0
91.05485	3.3
93.07059	4.4
95.04980	3.0
95.08595	2.1
97.06530	0.9
98.21508	1.1
103.69841	0.4
105.04513	1.8
105.07042	7.7
107.04961	58.5
107.08608	8.0
109.06528	0.9
109.10167	1.3
111.08099	4.8
112.08879	0.6
117.07006	1.2
119.08601	5.6
121.06505	1.8
121.10152	5.5
123.08076	1.3
125.09633	3.4
129.07001	0.6
130.07797	0.6
131.08560	4.9
133.06493	0.7
133.10143	5.7
135.08067	2.2
142.07793	1.1
143.08557	0.9
144.09360	0.6
145.06519	1.1
145.10107	3.0
147.08078	0.7
147.11690	8.5
149.09631	7.5
149.13271	3.1
149.22597	0.5
153.09138	0.5
157.10127	2.7
158.10902	1.9
159.08043	0.9
159.11705	0.7
160.08813	1.8
163.07639	0.5
163.14838	0.7
171.11668	0.9
172.16794	0.4
173.09653	0.6
173.13278	5.6
175.11182	9.0
177.09093	0.6
182.10959	0.8
187.14799	1.4
190.13531	0.6
191.14317	62.3
192.14667	1.8
197.13219	0.7
199.05957	0.5
215.14371	2.0
217.87027	0.4
233.08069	1.7
233.11623	3.4
233.15378	100.0
234.15701	1.3
248.13048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03946	4.0
55.05511	4.6
57.07062	1.9
59.04966	0.8
60.40462	0.6
67.05515	3.3
67.05795	0.6
69.03434	7.3
69.07050	2.1
70.95822	2.0
71.04984	1.5
72.04519	1.0
77.03472	0.7
77.03925	1.2
79.05495	53.1
80.06271	0.6
81.07047	5.6
83.04974	2.7
83.08626	5.0
84.08111	1.4
85.02878	1.2
85.06547	4.1
91.05485	7.5
93.07052	6.7
95.04957	5.0
95.08620	3.3
97.06531	1.6
103.05450	1.0
105.04518	1.9
105.07039	11.5
107.04960	52.4
107.08596	9.8
109.06500	2.9
111.08085	5.4
113.05967	1.3
115.05460	1.1
117.07018	4.0
119.08586	14.6
121.06499	3.0
121.10146	7.7
123.08094	1.6
123.11734	0.9
125.09634	2.6
129.07025	1.5
130.07755	1.0
131.08577	12.8
133.06511	1.0
133.10135	10.3
135.08060	3.2
137.09630	5.1
141.06923	0.7
141.22006	0.6
142.07803	2.2
143.08543	2.4
145.06480	1.3
145.10132	13.7
146.06076	0.8
146.10896	1.0
146.23384	0.8
147.08057	16.5
147.11687	14.2
149.09613	9.4
149.13274	3.6
153.09090	1.0
155.08531	0.8
156.09329	1.3
157.10156	5.6
158.10890	2.4
159.08086	1.5
159.11713	1.4
160.08820	1.9
161.09595	0.9
163.11154	3.5
171.11676	2.3
173.09647	2.3
173.13268	10.3
174.10501	1.1
175.11185	19.6
176.04666	1.8
182.10893	0.9
187.11154	0.8
187.14850	2.8
189.12709	5.9
191.14310	64.7
192.14673	1.4
197.13283	2.7
205.08655	1.1
205.15974	0.8
215.14308	6.4
233.08009	4.4
233.15369	100.0
234.15594	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	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
50.66607	1.3
52.81781	1.3
53.03943	2.5
55.05497	5.7
57.07082	3.1
66.08708	1.1
67.05512	11.2
69.07046	5.0
79.05154	1.2
79.05505	13.2
81.07062	24.7
83.08585	1.8
84.08137	1.8
90.59654	1.1
91.05486	18.9
91.67634	1.3
93.07051	18.1
95.04982	3.4
95.08617	20.9
97.06529	1.9
101.02433	1.6
103.05476	3.0
105.07040	32.9
107.04960	3.6
107.08601	18.1
109.06525	3.1
109.10142	6.8
111.04435	2.3
117.07032	9.9
119.08585	21.4
119.97011	1.4
121.06493	4.7
121.10157	6.7
123.08058	2.3
123.11678	1.3
125.05990	2.1
129.06984	3.4
130.07759	1.7
131.04933	1.6
131.08574	37.1
132.58276	1.2
133.06500	2.2
133.10123	8.4
135.04358	2.0
135.08063	2.8
135.11667	2.9
137.05969	2.8
139.07520	4.2
141.06989	1.6
142.07782	1.6
143.08566	4.3
145.06435	1.9
145.10133	36.8
147.08127	2.1
147.11697	8.2
149.05995	1.6
149.09561	2.0
149.13167	2.0
151.07544	2.2
155.08549	3.6
157.10127	2.7
159.08080	5.0
159.11700	19.2
161.13277	11.0
163.07495	3.8
163.11197	1.6
169.10094	2.9
171.11772	2.9
172.12460	1.8
172.31853	1.3
173.09621	3.2
173.13258	4.0
177.05461	4.5
177.09061	9.9
178.06174	3.8
182.10860	3.4
187.11214	3.9
187.14835	100.0
188.15195	1.4
191.06978	1.5
191.10736	2.7
191.14330	2.9
197.13327	7.5
205.15942	3.1
215.14325	24.3
217.15831	4.2
218.10933	2.2
233.04469	2.2
233.08083	5.2
233.11568	8.7
233.13490	2.6
233.15356	62.1
233.18906	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	233.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	3.9
58.06596	0.6
58.72397	0.5
67.04539	0.5
70.03971	2.9
71.09248	0.5
74.06093	1.5
74.79974	0.6
90.40605	0.6
91.05492	1.4
102.05549	100.0
115.05443	1.4
117.07034	0.7
118.06544	17.2
120.41324	0.6
130.06520	0.6
142.06543	1.9
143.07327	2.3
144.08104	10.3
146.06020	39.4
170.06017	3.1
180.28723	0.6
188.07083	49.4
189.07405	0.8
221.13290	0.6
233.08162	0.7
233.12883	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05516	4.8
56.05038	18.9
56.96576	2.2
57.03427	3.4
58.06601	3.1
67.24058	1.0
69.03421	1.9
69.07067	1.6
69.32313	1.0
70.06591	2.3
70.75449	2.2
71.91130	0.9
72.08162	15.2
74.02448	1.8
74.06085	100.0
76.02225	1.4
79.05497	1.1
81.07041	1.6
83.06100	1.3
83.08620	1.8
84.04510	36.1
84.08149	47.9
85.02910	2.0
85.06534	2.2
86.00668	0.9
86.09712	30.8
87.08116	7.2
96.04479	1.4
97.02895	2.9
98.06065	6.0
101.07140	2.4
102.05556	1.6
104.10753	49.5
109.02894	1.6
110.09681	1.0
114.05530	1.6
119.01943	1.3
127.04006	1.4
128.10780	1.3
130.05022	7.1
132.10217	16.1
137.02321	1.3
138.09157	4.3
142.05016	3.4
142.12346	1.2
144.10210	29.3
156.10202	1.4
163.03917	0.9
169.08615	1.5
169.13373	2.0
170.11754	6.7
174.11293	3.3
184.09715	2.1
187.14412	10.3
189.09361	1.3
191.02203	2.0
198.11328	1.1
201.12314	1.5
203.33295	0.9
215.13931	8.3
216.12312	21.5
233.08063	1.1
233.15012	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	233.1174
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03964	2.4
54.05825	1.1
55.01871	8.3
55.05501	4.4
56.96562	1.8
57.03431	2.2
62.56586	1.0
65.03928	3.8
66.55577	1.1
67.05507	9.3
68.99791	4.9
69.03415	4.0
69.07071	33.9
71.04981	2.2
71.30585	1.5
77.03928	1.5
79.01849	1.7
79.05501	19.5
81.03413	2.9
81.07047	12.0
83.04985	2.2
84.08155	5.2
91.05483	52.4
93.03413	1.5
93.07043	10.5
95.04955	6.8
95.08622	8.6
97.02908	1.8
97.06532	24.9
99.00827	1.2
99.04446	3.9
103.05457	3.1
105.07033	24.0
107.04974	10.7
107.08614	8.5
109.02848	1.4
109.06521	4.7
109.10164	5.4
115.05432	3.9
116.06255	1.3
117.07014	11.6
119.04948	22.6
119.08595	10.1
121.02896	1.9
121.06505	9.6
121.10125	3.1
123.00785	1.3
123.04398	2.1
123.08065	3.5
125.05980	1.9
128.06223	3.6
129.07022	4.9
130.07796	8.3
131.04922	2.5
131.08572	11.2
132.05728	1.1
133.06482	2.1
133.10132	5.9
135.04404	4.0
135.08061	4.9
135.11687	2.6
136.05200	1.7
137.02376	2.4
137.05986	100.0
137.09593	1.6
139.03908	4.9
141.01883	1.3
141.07007	3.4
143.08560	6.2
144.05707	2.3
144.10185	4.0
145.06494	9.3
145.10136	46.1
147.04454	1.4
147.08035	3.5
147.11696	8.0
148.05196	1.9
149.02405	1.9
149.05980	3.0
149.09653	1.6
151.03912	3.2
153.01819	1.2
154.07753	2.6
155.06010	1.6
155.08548	2.2
158.07257	4.8
159.04424	1.8
159.08041	6.1
159.11728	10.5
161.05942	2.0
161.09627	1.3
163.03935	5.5
163.07512	5.1
163.09850	2.2
163.11182	25.5
165.01846	75.2
167.03380	1.5
169.10129	4.4
171.08061	2.3
171.11702	1.6
172.08784	2.0
173.06126	2.4
173.09634	92.1
173.13210	5.2
174.06799	2.1
174.10046	2.4
175.07561	3.6
175.11247	1.3
175.14836	1.3
176.04713	6.9
176.07089	2.4
177.01868	2.3
177.05435	3.7
177.09117	3.1
177.83183	1.1
179.03421	2.3
183.02904	30.7
187.07542	4.4
187.11198	16.6
187.14804	3.3
189.05461	1.8
189.09145	4.5
189.12711	4.2
191.03442	9.0
191.06989	2.5
191.10674	3.8
197.09641	2.8
201.09285	1.5
205.04967	1.8
205.08669	5.0
205.12265	3.6
215.07056	4.2
215.10693	17.6
215.14290	3.1
215.17868	2.8
233.04379	2.1
233.08089	48.3
233.11737	30.3
233.15305	13.5
233.18893	6.1
234.14861	9.0
251.09189	1.4
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
52.27769	1.1
53.03938	3.1
53.45441	0.9
55.01874	7.1
55.05486	2.8
57.03435	10.8
67.05508	6.2
68.99783	1.5
69.03391	2.1
69.07073	16.5
70.52828	3.6
71.04988	1.4
75.57393	1.0
79.05493	17.8
81.07043	3.5
84.08136	3.6
87.08138	1.4
90.38934	1.0
91.05482	30.1
93.07018	2.6
95.04961	2.4
95.08604	2.1
97.06532	100.0
98.06882	1.2
98.97561	1.8
103.05453	3.4
105.07039	6.8
107.04932	3.5
107.08575	2.6
115.05468	6.0
117.07030	7.8
119.04948	13.4
119.08553	4.0
121.06471	3.9
123.04415	2.5
127.03931	1.9
128.06197	3.8
129.07030	5.3
130.07788	1.7
131.04927	4.3
131.08563	8.6
133.06477	4.1
133.10100	2.1
135.04395	3.5
136.06154	2.0
137.05981	59.3
138.06262	1.6
140.06158	1.5
141.06998	13.0
142.07806	1.3
143.04924	1.1
143.08546	4.5
144.05669	1.9
144.10178	1.8
145.06494	7.9
145.07455	1.4
145.10112	4.9
146.06042	1.4
147.04405	11.4
147.08051	1.3
147.11772	1.5
149.06012	9.1
150.31985	1.2
151.03963	2.1
153.06966	2.4
154.07814	9.0
155.08548	2.0
157.06467	2.1
157.10086	2.1
158.07234	4.4
159.04402	1.8
159.08029	6.1
159.11681	4.6
160.05188	1.7
161.05974	12.4
161.09590	1.4
163.03896	4.1
163.07581	5.4
165.01871	1.5
167.08459	1.2
168.05701	5.3
168.12679	1.3
169.06483	8.2
169.10132	15.5
171.07986	2.3
172.05161	1.7
173.05977	6.3
173.09636	4.5
174.06702	1.9
175.07501	2.1
176.04651	3.1
177.05449	4.1
177.09065	3.4
179.08499	2.1
181.04996	2.1
182.07245	2.5
185.05916	1.2
185.09619	4.7
186.06805	12.8
187.07565	7.8
187.11176	6.8
189.05424	1.5
189.09088	11.2
191.07031	5.7
191.10576	1.7
192.07475	1.0
197.09644	16.1
201.09070	3.6
203.06978	3.1
204.07808	1.8
205.08600	4.2
205.12164	5.4
208.14525	1.1
215.07150	2.6
215.10677	50.6
215.14066	2.0
215.17766	1.3
216.10909	1.5
233.08243	9.7
233.11705	76.5
233.15338	4.4
233.18962	1.6
234.15009	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	233.1174
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03936	2.7
55.01875	5.3
55.05509	3.7
57.03425	1.5
59.04996	1.5
65.03944	1.9
67.05507	5.3
68.99792	3.0
69.03420	3.3
69.06723	1.6
69.07069	19.0
70.67132	2.3
71.04975	1.7
73.05155	1.1
79.05496	13.1
81.03419	1.6
81.07043	7.4
83.04972	1.5
84.08138	2.9
91.05485	33.0
93.07057	7.7
95.04987	7.3
95.08617	4.9
97.02911	1.0
97.06543	15.4
99.04472	2.3
103.05444	1.5
105.07031	22.8
107.04280	1.7
107.04945	9.6
107.08609	5.0
109.06535	4.2
109.10169	1.5
115.05455	2.3
117.07019	11.0
119.04949	11.2
119.08573	9.9
121.06505	11.2
121.10136	3.3
123.04414	2.0
123.08065	3.1
123.36250	1.0
128.06274	2.6
129.07008	5.0
130.07813	7.4
131.08574	7.4
133.06496	2.3
133.10123	4.2
135.04399	2.8
135.08023	3.4
135.11700	3.7
137.02396	1.1
137.05984	51.3
137.09695	1.0
139.03906	2.9
141.01863	1.0
141.07021	2.8
143.08565	6.4
144.09265	1.8
144.10272	1.6
145.06485	6.2
145.10132	45.0
146.39854	1.0
147.04457	2.4
147.08055	1.7
147.11708	8.5
148.08864	1.6
149.02292	1.0
149.05971	2.7
151.03880	2.2
154.07741	1.6
155.08545	2.1
158.07275	5.1
159.08035	4.0
159.11674	8.9
161.06015	2.2
161.09547	1.3
163.03947	4.7
163.07565	3.4
163.11188	25.3
165.01851	44.2
165.92365	1.0
169.10133	4.5
171.07997	1.1
171.11665	1.9
172.05188	1.3
172.08832	1.5
173.09631	100.0
174.06775	1.8
174.09903	2.7
175.07520	2.2
176.04645	3.2
176.07129	1.3
177.05441	2.1
177.09132	1.8
181.15257	1.5
183.02907	17.2
187.07600	2.9
187.11208	13.9
187.14841	2.3
189.09084	3.2
189.12703	2.8
191.03409	4.3
191.07094	1.8
191.10707	3.8
197.09572	3.3
203.07007	1.5
205.08624	4.1
205.12279	3.6
215.07059	1.0
215.10663	12.4
215.14264	2.4
215.17892	1.6
233.04445	2.0
233.08112	25.3
233.11705	25.8
233.15276	4.6
233.19054	2.7
234.08612	1.0
234.14964	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	233.0811
Annotation	6-Hydroxymusizin
Peak:m/z	Relative Intensity
53.03943	2.0
55.01873	5.8
55.05503	1.3
56.05018	1.0
56.96554	3.6
57.03185	1.0
57.03444	9.6
57.07075	1.0
65.03936	1.0
67.05501	4.7
68.99801	6.3
69.03429	3.0
69.07032	1.1
70.95221	0.9
70.95550	1.9
71.01361	1.3
74.27588	0.7
75.61575	0.7
79.05499	8.1
81.03414	1.2
81.07061	7.2
83.01344	1.2
83.04964	1.3
84.08150	1.0
88.07630	1.9
88.57471	0.7
91.05487	14.5
93.07051	7.3
95.04984	4.1
95.08630	4.1
97.02889	1.2
97.06530	4.0
103.05443	1.3
105.03397	1.5
105.07041	8.1
107.04952	6.1
107.08597	5.9
109.02875	3.2
109.06529	6.6
109.10169	2.6
113.65990	0.7
115.05447	4.5
116.06233	2.7
117.07028	6.5
119.04942	3.0
119.08588	7.4
121.02880	1.9
121.06515	7.4
121.10147	2.7
123.04434	3.3
123.08075	1.6
125.02359	1.9
128.06175	0.9
129.07007	2.0
131.04929	1.4
131.08589	11.0
133.06473	2.0
133.10103	1.1
135.04428	7.9
135.08049	12.2
137.05986	7.6
139.03911	4.4
141.07011	4.3
143.08586	1.5
144.05727	1.8
144.10188	1.0
145.06488	2.7
145.10153	5.2
146.64346	0.8
147.04460	4.1
147.08095	2.2
147.11722	1.1
148.05194	4.5
149.06013	8.9
149.09634	4.5
151.03906	32.8
155.07149	1.3
159.08064	8.1
159.11722	2.7
161.05992	3.7
162.06764	1.7
163.03928	3.6
163.07536	18.4
163.11154	1.9
167.03340	0.9
173.05986	1.6
173.09613	10.8
173.13249	1.6
175.03911	2.5
176.04700	16.8
177.05537	5.1
177.09111	16.1
179.00246	1.3
179.07076	0.8
181.08638	1.1
186.18539	3.7
187.07553	12.8
187.11174	2.1
187.14951	1.6
189.05464	17.4
190.06206	3.0
191.03389	1.3
191.07018	10.0
197.01233	2.4
203.07149	1.3
205.08612	65.7
206.08957	1.0
207.04820	0.8
207.06590	2.9
215.06999	5.7
215.10672	2.0
233.08098	100.0
233.11824	5.9
233.15190	3.9
233.19064	1.7
234.08398	1.6
234.20662	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	233.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32067	0.8
57.68726	1.0
67.30375	1.0
69.87173	3.9
70.99844	1.2
72.04607	0.8
82.99837	12.1
84.08161	6.8
86.09732	2.3
98.21473	1.1
101.00886	76.4
102.00943	1.8
103.00643	1.2
103.02490	1.2
104.22655	1.0
113.00883	4.8
115.02431	25.4
119.01929	63.7
119.59975	0.9
119.87167	0.9
121.01666	1.7
131.01923	13.0
131.50467	1.0
133.03476	96.1
134.03554	2.2
137.02943	6.1
143.01898	20.5
144.10179	3.2
145.03485	1.7
149.02936	5.4
151.04533	12.2
157.03487	1.0
161.01564	1.1
161.02965	29.5
173.02974	62.0
190.82083	1.0
191.04021	100.0
192.04216	3.1
214.05568	1.2
215.04004	1.5
233.05070	37.7
233.08795	3.2
250.62181	0.9
251.06178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73311	19.3
79.76523	3.2
84.08152	100.0
98.20850	6.4
144.10211	55.5
144.11240	5.8
229.52533	3.3
233.15045	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	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72108	1.2
58.99885	1.4
70.17231	3.3
72.08163	1.4
74.06088	2.0
82.99876	1.6
84.04512	2.1
84.08149	100.0
85.01434	2.3
92.54349	1.3
98.20816	1.4
101.00887	16.0
103.02440	1.5
108.44703	1.1
110.58681	1.2
113.00905	1.5
115.02444	3.5
117.04055	3.4
119.01926	19.3
127.02468	2.2
133.03458	10.3
135.04993	1.6
143.01900	7.1
144.10210	69.6
145.03487	4.6
151.04561	2.2
161.02995	5.8
161.04828	1.6
163.04585	1.6
165.48048	1.2
173.02988	4.9
175.04553	2.0
179.05858	1.4
189.02328	1.8
191.03987	9.4
215.03966	4.0
219.13045	1.5
226.03117	1.2
233.01353	2.8
233.05035	9.2
233.14998	5.9
251.02544	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	232.1335
Annotation	Leiokinine A
Peak:m/z	Relative Intensity
55.05511	1.5
57.11948	0.5
67.05495	1.9
68.05004	0.7
69.03420	0.7
69.07079	0.8
69.78397	2.7
70.06579	1.4
71.05003	0.5
79.05480	1.0
79.58783	0.5
81.03404	0.6
81.07063	1.1
83.04986	0.5
84.08137	0.5
88.07642	1.0
91.05487	4.8
93.07037	2.3
95.04942	0.8
95.08595	0.9
96.04457	0.6
96.93615	0.5
97.02928	0.5
97.06505	1.4
98.21455	1.0
105.07031	6.3
106.08676	0.7
107.04942	0.5
107.08580	1.4
108.08083	0.6
115.05440	1.3
117.07026	3.5
119.04930	0.7
119.08580	3.8
121.06554	2.6
121.10054	0.6
128.06215	1.5
129.07021	2.9
129.97757	0.5
130.07803	1.5
131.08575	6.3
132.08012	0.6
133.10141	4.4
135.08037	0.7
136.07581	3.5
137.05956	1.4
141.06955	1.3
143.08501	1.6
144.08020	0.9
144.09303	2.3
145.06464	4.0
145.09096	0.6
145.10103	3.1
146.07181	1.2
146.09653	1.1
147.08044	1.1
147.11702	1.1
149.91594	0.5
154.07736	1.1
155.08643	0.5
157.08946	1.2
157.10144	1.4
158.07272	2.1
159.08066	4.4
159.11705	7.9
160.07568	3.9
160.08853	3.9
161.08339	3.5
161.09630	10.7
161.13229	1.2
161.59956	0.6
162.09026	2.7
162.12784	2.0
163.11201	1.3
165.05437	0.7
169.10083	1.0
170.09724	0.6
171.10390	1.0
172.08832	2.4
172.11081	0.6
173.05954	0.7
173.09653	2.8
174.09129	4.4
174.10422	0.9
174.12737	1.0
175.09933	3.8
176.10681	1.5
176.14348	1.1
177.05531	0.6
178.12138	0.6
186.12753	1.1
187.07486	0.6
187.11180	10.3
188.10712	2.3
189.11267	2.3
189.12773	1.9
190.12280	8.3
202.08655	1.0
202.12206	0.6
203.09459	3.0
204.10168	1.1
204.13860	8.2
205.08624	0.7
214.12332	2.0
215.10664	3.6
217.10999	0.9
232.13339	100.0
233.04520	0.7
233.08145	2.1
233.11647	1.0
233.13629	2.1
233.15627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49300	0.7
55.05500	1.5
56.05027	3.1
57.03440	0.7
57.07082	6.0
61.96384	0.6
62.07684	0.6
63.44301	0.6
67.05499	1.1
68.02158	0.7
68.99778	1.2
69.03441	3.9
69.07064	1.2
70.06591	0.9
71.04974	0.9
71.16090	1.1
79.05493	0.9
81.03423	1.5
81.07083	1.4
82.27982	0.7
83.08611	1.0
84.04507	73.7
85.02921	6.2
85.10188	21.2
85.10722	0.8
87.00822	0.9
88.19816	0.8
91.05484	1.6
93.07030	0.8
98.06049	0.8
102.05550	3.9
102.12820	100.0
105.07034	2.4
107.04941	1.2
107.08609	0.8
115.05477	1.5
119.04966	0.7
119.08606	1.9
121.06506	1.2
128.06271	0.9
129.07010	2.2
130.05005	24.3
131.08620	0.9
143.08560	1.5
145.10149	1.9
147.04440	1.8
147.08052	0.9
155.08517	0.8
157.06535	1.9
157.10141	1.8
161.06006	1.2
171.08218	0.8
171.11694	1.6
175.07616	1.0
175.11075	0.9
185.07108	2.7
185.09644	0.9
185.13280	0.8
185.16501	13.6
186.14879	1.3
189.05486	1.2
203.07054	1.9
213.05568	1.1
213.09238	1.4
213.12740	1.0
214.14383	68.3
215.14705	1.0
231.06442	7.5
231.10042	5.8
231.13911	1.8
231.14543	1.2
231.17067	20.3
235.81482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1017
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
53.03930	0.6
55.01873	4.6
55.05513	1.2
57.03423	2.0
67.05498	0.6
68.99785	1.3
69.03429	2.7
69.07057	0.7
71.51069	1.0
78.38831	0.5
79.05499	0.8
81.03358	0.6
81.07052	1.5
83.04962	1.4
83.08632	0.6
85.02904	1.1
91.05497	3.6
93.07085	3.0
95.04971	0.6
95.08595	0.7
99.04372	0.5
105.07027	3.8
107.04954	1.0
107.08553	0.8
111.19139	0.5
115.05457	5.9
117.06993	1.8
119.08573	1.6
121.06526	1.0
123.04438	7.0
128.06215	3.8
129.07010	10.7
131.04994	2.7
131.08571	1.8
133.06454	2.4
133.10132	1.3
135.04393	0.9
137.02312	0.6
137.05936	0.7
141.07043	3.0
142.07806	6.6
143.04955	7.7
143.08578	3.5
144.05608	0.7
145.06487	1.5
145.10124	1.4
147.04402	3.0
147.08052	2.9
148.05203	0.7
149.05991	1.9
152.06226	5.1
152.51459	0.5
156.05728	0.7
157.06508	7.6
157.08810	0.7
157.10132	11.5
159.08057	0.7
160.05206	5.1
161.05992	16.0
161.09602	0.7
162.06752	0.7
163.03926	0.7
165.07027	2.7
166.07721	0.6
167.08598	11.7
169.06503	1.4
170.07281	2.7
170.10960	0.8
171.04402	5.4
171.08014	3.0
171.11690	0.7
172.20410	0.6
173.06000	10.1
173.09503	0.7
174.06778	15.7
175.03897	0.9
175.07549	18.6
177.05475	0.7
177.09103	1.8
184.05206	3.9
185.06020	8.2
185.09637	12.0
185.13286	0.8
186.06851	0.9
187.07567	5.1
188.08403	2.7
189.05493	6.4
189.09151	4.4
189.12715	0.7
195.08064	16.0
195.11749	0.9
198.06898	2.7
201.05455	0.9
201.09163	1.0
202.06329	5.7
203.07005	3.5
203.10681	9.1
213.09123	19.1
213.12680	2.1
231.06490	4.2
231.10176	100.0
231.13913	3.3
232.10535	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	231.1018
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
55.01876	6.2
55.05500	2.8
57.03424	2.3
67.05491	1.4
68.99780	1.0
69.03413	3.0
69.07026	0.9
70.85604	1.5
70.85978	1.1
71.04966	0.8
79.05508	1.4
79.88280	0.6
81.03419	0.9
81.07037	1.8
82.82382	0.7
83.04961	2.2
91.05476	4.6
91.80478	0.6
93.07053	2.0
95.08647	1.0
103.05441	1.5
105.07060	5.2
107.04964	0.8
107.08613	1.4
108.96163	0.6
109.02899	0.8
109.10143	0.8
115.05445	6.9
117.07014	2.7
119.04894	0.9
119.08582	1.9
121.06512	1.5
121.10123	0.9
123.04436	7.0
128.06215	4.2
129.07014	12.8
130.07375	0.7
131.04927	2.2
131.08546	2.2
133.06505	2.1
133.10147	1.7
138.05536	0.7
139.05438	0.8
141.07010	2.6
142.07779	6.6
143.04918	7.3
143.08569	3.5
144.05673	1.1
145.06471	1.9
145.10124	1.6
147.04387	3.0
147.08037	2.7
149.05962	1.1
152.05165	0.8
152.06226	3.9
155.08569	1.2
156.05725	1.5
157.06514	8.5
157.10143	11.3
159.08038	1.8
160.05186	4.7
161.05998	19.6
161.09584	1.0
162.06755	1.3
163.03893	1.1
163.07498	0.8
165.06992	1.5
167.08569	12.8
169.06503	1.3
170.07314	2.9
171.04398	6.9
171.08047	3.0
171.11662	1.8
173.05992	10.6
173.13229	0.7
174.06775	14.7
175.03934	1.1
175.07558	19.4
175.11180	1.0
177.05417	0.8
177.09119	1.7
180.05711	0.8
183.08063	0.8
184.05238	5.6
185.05986	9.7
185.09613	16.9
185.13275	0.7
187.07610	6.1
188.08344	2.2
189.05453	8.1
189.09102	4.8
195.08067	16.4
198.06758	3.3
201.05484	1.4
201.09128	1.6
202.06282	6.7
203.06978	4.2
203.10667	8.4
213.05724	1.5
213.09099	23.5
213.12738	2.8
213.16504	0.8
216.07828	1.0
231.06844	6.5
231.10165	100.0
231.13889	3.9
231.27049	0.7
232.10457	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	231.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05518	32.3
57.03429	4.6
57.07074	2.6
59.04996	3.0
67.05503	2.3
68.04356	0.9
68.99787	4.2
69.03433	9.7
69.22901	10.6
71.04998	8.6
71.08631	3.5
79.05500	32.4
81.03384	1.5
81.07065	100.0
83.04989	12.1
83.08623	12.7
85.06566	8.3
87.00836	30.8
91.05434	1.3
92.62958	1.0
99.01137	1.0
99.08104	6.8
101.06027	1.5
105.01871	3.8
109.06524	50.6
117.09149	4.0
126.07261	1.0
127.03905	1.0
127.07568	47.9
128.06174	1.1
129.07018	1.6
134.06030	2.6
145.08614	12.9
157.06508	2.3
161.06000	1.2
185.05957	2.0
189.05550	2.5
189.77611	1.1
195.30855	1.0
213.05460	1.2
224.78104	1.2
231.06490	5.0
231.08569	2.8
231.13997	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0653
Annotation	Coniochaeton A
Peak:m/z	Relative Intensity
53.03947	0.3
55.01880	1.9
55.05510	0.2
65.03937	0.7
67.05494	0.4
68.99792	4.8
69.03411	0.8
71.04981	0.2
71.50896	0.2
71.51279	0.2
77.03917	0.2
79.05499	0.4
81.03397	0.6
81.07050	0.4
81.19712	0.2
81.73029	0.2
85.02926	0.9
91.05482	1.1
93.03374	0.2
93.07044	0.3
95.01344	0.4
95.04956	0.5
97.02876	0.4
103.05476	0.3
103.42879	0.2
105.03388	0.2
105.07037	2.0
107.04971	1.8
107.08578	0.4
109.02868	0.5
110.03680	0.3
111.04340	0.2
115.05440	1.9
117.07007	1.0
119.04941	0.2
119.08556	0.6
121.02882	0.4
123.04433	9.8
124.04709	0.2
128.05370	0.3
128.06229	2.5
129.07008	4.8
131.04913	0.7
131.08607	0.2
133.06506	1.2
135.04362	0.9
137.02335	1.1
139.05443	2.9
141.06981	0.7
143.04915	0.7
145.02907	0.3
145.06496	1.5
147.04427	3.1
147.08009	1.0
155.06052	0.6
157.06499	13.9
158.06953	0.3
160.05206	1.4
161.02350	0.2
161.05969	1.8
163.03944	2.3
163.07568	0.6
167.04956	1.1
168.05693	0.4
171.04388	0.8
171.05672	0.3
173.06038	0.3
175.03909	0.4
175.07567	3.9
184.05170	1.1
185.05986	20.5
186.06357	0.3
189.05511	1.7
195.05637	1.3
203.07045	2.6
212.04692	0.4
213.05479	20.6
214.05861	0.5
222.80510	0.2
231.06529	100.0
232.06839	2.1
236.98096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.48597	0.9
55.01841	0.9
55.05493	3.7
57.03424	3.6
62.29152	1.1
67.05509	7.6
69.03429	2.3
69.07078	4.5
70.06583	3.3
71.04972	4.0
71.30911	2.1
72.08136	1.7
74.84134	1.1
78.09028	1.0
79.05518	4.7
80.05006	1.7
81.05809	0.9
81.07059	9.0
82.06583	5.8
83.04971	1.6
83.08604	1.4
84.08138	2.2
85.02887	1.1
85.06537	2.0
86.09705	2.0
87.00835	2.1
88.87031	0.9
91.05487	4.9
93.05766	1.1
93.07037	4.2
94.06572	19.5
95.04988	5.1
95.08599	2.5
96.08125	3.5
97.02901	0.9
97.06521	1.6
98.06047	3.3
98.97609	1.3
103.05502	1.2
104.06606	0.9
105.07028	3.8
106.06567	3.4
107.08560	2.2
108.08161	7.3
109.06518	7.4
110.06055	16.1
110.09645	1.6
111.06886	1.3
111.08086	2.0
112.07588	3.6
113.06011	3.2
116.07085	4.3
117.07479	1.5
118.06553	1.2
119.08566	2.4
120.08085	4.2
121.06530	9.9
121.10132	1.1
122.06036	33.8
122.09695	5.2
123.04441	3.0
123.06794	4.1
124.07591	12.2
126.06279	1.0
126.09162	2.6
127.07510	2.9
131.08572	3.6
133.08881	1.5
133.10083	1.4
134.06017	1.2
134.09662	6.8
135.08032	3.4
136.07603	9.7
136.11232	3.8
137.08333	1.7
138.09154	14.6
139.07549	3.4
140.07074	41.1
142.08592	2.7
146.09644	1.8
148.07556	1.8
148.11209	10.1
149.09633	6.5
150.09145	4.5
152.07104	3.0
154.08646	56.8
156.10185	2.9
161.08394	1.7
164.10771	1.1
166.12280	14.3
167.10684	3.9
168.10223	3.8
176.10724	11.8
177.09108	2.0
184.13310	1.2
194.08160	1.0
194.11787	28.7
207.68544	1.0
212.12842	22.3
230.13884	100.0
231.11267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05505	5.6
56.96549	3.3
57.03439	2.0
61.36904	1.0
67.05511	7.5
68.05012	1.5
69.03432	2.5
69.07049	4.0
70.06593	5.0
71.00103	1.4
71.00436	1.9
71.04998	4.8
72.08146	2.1
75.04475	1.1
79.05493	5.8
80.05010	1.5
81.03407	2.0
81.06659	1.3
81.07070	12.1
82.06603	5.1
83.04961	1.1
83.08614	1.6
84.04498	1.0
84.08144	2.5
85.06533	1.8
86.06073	1.7
86.09719	2.1
87.00816	2.3
91.05473	4.2
92.52047	1.1
93.07023	2.8
94.06574	16.1
94.66546	1.4
95.04984	5.4
95.08592	3.4
96.04490	1.9
96.08145	3.5
97.02881	1.5
97.06502	1.4
98.06056	2.8
98.97586	2.4
102.87444	0.9
103.05441	1.3
103.68972	1.2
105.07019	3.9
106.06548	3.1
107.08588	4.1
108.08092	5.5
109.06510	7.9
110.06039	15.5
110.09663	1.9
111.06834	2.6
111.08078	2.7
112.07589	3.5
113.06023	3.8
115.96446	1.4
116.07085	1.5
119.08629	1.2
119.55878	0.9
120.08087	3.7
121.06520	9.9
121.10174	1.1
122.06033	27.1
122.06900	2.2
122.09660	3.3
123.04444	1.8
123.06788	3.3
124.07592	11.3
126.09158	2.2
127.07539	4.4
129.07005	0.9
131.08571	2.7
132.08110	1.3
133.08890	2.6
134.09639	6.0
135.08035	3.5
136.07565	10.6
136.11203	3.2
137.06041	1.4
137.08401	2.1
138.09149	12.2
139.07501	3.6
140.07062	38.4
141.05545	1.4
142.08641	3.1
143.00188	1.2
144.62718	1.0
145.08630	2.0
145.67668	1.0
146.09648	1.4
148.07524	2.4
148.11221	10.3
149.08592	1.0
149.09618	6.8
150.09154	3.4
152.07071	1.9
154.08640	52.2
156.10190	2.6
161.08398	2.4
164.10710	1.7
166.12296	12.8
167.10651	4.3
168.10185	3.2
176.10724	7.4
177.09111	2.1
184.09740	1.2
188.10681	2.5
194.08142	1.5
194.11774	26.4
195.10162	1.2
199.27505	1.0
201.07869	1.9
202.12279	2.4
202.78061	1.1
212.12830	18.1
230.11839	7.1
230.13872	100.0
230.24353	1.1
231.06514	2.0
231.14212	1.8
237.99350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01860	1.5
55.05518	11.4
57.03427	3.8
60.07386	1.3
65.03925	1.8
67.05509	7.5
68.05027	3.4
69.03436	7.3
69.07081	6.7
70.06604	7.8
71.04993	4.1
71.50731	2.1
72.08143	3.5
73.46073	1.2
79.05515	8.1
80.04993	2.2
80.99168	1.4
81.03410	2.9
81.05825	1.2
81.07059	21.4
82.06598	7.3
83.04960	3.4
83.08614	2.7
84.04494	1.7
84.08138	4.5
85.02906	2.7
85.06535	5.2
86.06044	3.1
87.00839	3.8
91.05482	7.3
93.07050	6.3
94.06569	14.2
95.04976	6.0
95.08594	4.3
95.80472	1.3
96.04483	3.2
96.08118	3.2
97.02877	2.8
97.06533	1.9
98.06046	4.0
98.97594	1.5
99.04462	3.5
102.05530	1.3
105.07053	3.8
106.06537	4.0
107.08577	4.0
108.08102	7.1
109.06506	14.2
110.06052	16.6
110.09621	2.8
111.04447	1.6
111.06837	2.1
111.08068	2.2
112.07566	4.0
113.06009	3.8
114.05502	2.3
115.05466	1.3
116.07066	4.4
118.06590	1.5
120.08091	3.8
121.06502	7.5
121.10117	1.4
122.06033	30.6
122.09669	6.0
123.04433	2.7
123.06799	3.9
123.08075	2.0
124.07592	14.3
126.09161	3.3
127.07565	6.1
129.06995	1.6
131.08556	4.0
132.08075	2.2
133.08846	2.1
134.09653	6.2
135.08051	5.3
136.07585	13.1
136.11224	3.8
137.05975	5.4
137.08379	1.5
138.09152	13.5
138.12724	1.5
139.07553	4.0
140.07071	34.9
140.08107	2.6
142.08722	2.2
145.08624	3.1
148.07523	1.8
148.11214	11.2
149.09615	8.1
150.09166	4.6
152.07077	2.7
154.08644	67.8
156.10205	2.9
158.08180	1.2
161.08310	1.6
166.12306	15.6
167.06908	1.5
167.08525	2.8
167.10701	5.5
168.07446	1.7
168.10197	5.4
176.10701	10.1
177.09137	3.4
184.13400	1.8
187.03503	2.6
188.10576	1.4
194.11774	35.4
195.08192	2.1
195.10118	2.1
207.07999	1.6
209.25708	1.3
209.65686	1.3
212.09297	2.3
212.12842	14.1
213.09160	2.1
230.04942	2.0
230.08188	3.0
230.10117	3.8
230.12096	4.4
230.13890	100.0
231.06543	1.8
231.10173	7.7
231.12141	7.9
231.14113	2.6
252.10213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.6
57.07067	0.9
67.05487	1.3
69.03419	1.3
69.07069	100.0
69.97257	3.3
70.02948	4.1
70.06567	0.9
73.82010	0.7
74.02043	1.5
74.02440	25.0
79.05475	2.5
81.07056	6.7
82.06594	0.9
83.04988	1.1
84.04496	2.5
85.04821	1.0
86.06076	1.4
87.00809	2.1
88.03994	42.2
91.05466	2.3
93.07068	0.8
97.02897	0.8
97.06529	6.6
98.06013	1.6
99.00814	1.0
100.11245	2.4
101.11591	2.1
102.05534	1.1
109.06513	2.2
114.09158	2.2
115.07556	1.3
116.02675	1.2
116.03455	18.1
119.04984	0.9
121.06512	4.2
124.07602	1.7
127.07544	2.6
130.04977	1.1
131.05312	0.8
134.04489	94.8
140.10680	1.7
166.08659	11.1
184.09702	6.0
184.15323	1.0
212.09160	6.4
213.13120	2.8
226.59424	1.2
230.08380	2.0
230.10226	48.0
230.13826	1.3
230.15822	2.2
231.06403	1.5
231.10461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0537
Annotation	Flonicamid
Peak:m/z	Relative Intensity
56.05035	0.7
57.03447	0.6
57.07063	1.1
65.72117	0.4
66.55508	0.4
69.03458	0.6
69.67828	2.5
70.06597	0.6
79.04250	0.6
81.07053	1.0
82.06569	0.7
87.35976	0.5
87.55811	0.4
88.03941	0.6
88.71158	0.5
91.05487	0.5
98.04060	7.7
98.97556	0.5
101.02032	0.6
104.17284	0.5
110.67303	0.5
115.02357	0.5
121.06519	1.3
125.09680	0.5
126.03504	1.6
128.03053	3.8
129.03880	4.6
131.02383	0.9
134.04718	2.0
135.03539	0.7
140.88478	0.5
144.02577	2.3
146.02113	7.8
147.02943	0.9
148.03694	40.3
153.04552	0.7
155.04176	5.9
164.03206	1.5
168.13864	1.5
174.01630	53.4
175.01984	1.2
175.04756	1.5
176.03197	27.8
179.01869	1.6
183.03673	19.2
186.14909	1.7
194.04247	0.6
203.04279	83.4
204.04669	0.5
230.05374	100.0
230.09169	2.4
230.11743	2.3
231.05910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.6
58.06601	0.4
58.99857	0.4
70.01456	1.1
70.11240	1.7
82.99823	3.0
84.03018	0.5
84.04509	14.0
86.00964	0.6
88.03977	0.6
97.89388	0.4
98.04549	1.6
98.20834	0.5
99.49236	0.4
100.02498	0.6
101.00887	15.4
102.04056	0.9
102.05525	0.5
103.35340	0.5
104.01968	0.4
113.00869	0.9
116.05605	3.8
116.98880	0.9
119.01931	17.0
124.01602	0.8
124.02465	9.8
125.02547	0.4
126.04044	2.7
131.01898	0.9
132.01456	0.8
134.02971	1.6
134.06609	1.0
134.99893	1.3
135.51047	0.5
137.02954	1.9
139.54068	0.4
140.05635	0.4
142.03508	24.5
143.01906	1.2
143.03638	0.6
144.05064	8.1
145.03426	0.9
147.01463	0.4
152.04042	0.5
153.00819	0.6
155.11752	0.4
157.03571	0.5
158.06645	3.5
160.04578	9.4
160.51099	0.4
161.02983	1.9
162.06154	1.1
166.03517	21.4
167.03610	0.6
167.99583	0.4
168.05058	0.9
170.03011	5.0
171.01413	0.9
174.69849	0.4
176.02426	0.7
176.04016	0.5
178.05600	0.6
181.03473	1.3
184.04567	100.0
185.03035	1.0
185.04730	2.0
186.06142	1.1
188.02446	0.3
188.04060	9.3
188.52571	0.4
189.02388	0.8
196.00671	0.4
199.04620	0.9
200.42059	0.4
202.05620	32.9
203.04039	0.5
203.05829	0.5
205.17212	0.5
206.05142	3.8
207.06149	1.1
209.02238	0.5
212.04028	1.4
215.98151	0.6
230.05112	32.8
231.05290	1.0
248.06178	20.6
253.06581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
55.05508	9.5
56.02193	1.9
56.96564	3.7
57.03436	5.4
57.07087	3.9
59.04996	4.4
65.03935	2.6
67.05176	4.1
67.05507	33.1
69.03426	5.8
69.07066	14.5
70.06606	10.4
71.04598	4.2
71.04999	76.6
71.24475	4.0
72.08167	3.4
79.05493	43.0
81.03434	3.4
81.07063	45.5
83.04989	3.1
83.08615	6.5
83.30869	2.0
84.53116	2.1
85.06537	5.3
91.05475	25.7
93.07055	23.0
95.04960	2.6
95.08612	31.4
97.06551	7.7
97.10200	2.7
98.06069	2.4
98.97584	10.0
99.00818	3.8
99.08069	5.3
105.07027	27.6
107.04962	2.9
107.08599	100.0
109.06506	4.6
109.10164	31.0
111.08085	5.2
113.09666	2.3
114.10265	3.1
115.07619	2.5
115.57738	2.4
117.06989	3.4
119.08587	23.2
121.10155	11.8
123.11701	8.6
125.09634	7.7
126.12818	7.1
131.00179	2.4
131.08681	2.3
133.06497	2.2
133.10139	20.8
135.11707	20.9
137.06070	2.7
137.09621	6.9
137.13261	3.1
141.09146	5.3
142.07684	2.8
142.08669	2.5
143.08592	3.6
145.10147	4.0
147.11707	8.0
148.03735	6.0
149.13187	3.7
153.12756	14.9
155.08511	5.1
160.07619	4.5
165.09129	3.6
167.07063	2.4
173.06015	6.2
173.11862	3.7
173.13347	2.5
174.01605	5.4
175.14830	31.5
182.08347	2.9
186.03136	4.0
188.10703	6.0
193.15910	10.3
201.05472	6.4
203.04320	10.9
211.16832	5.3
229.04900	14.8
229.08684	9.1
229.12357	4.4
229.15712	6.0
229.17998	12.3
229.23575	5.9
230.05342	17.3
230.11816	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03926	3.2
55.01872	3.0
55.05515	52.3
57.03445	12.6
57.07071	7.1
59.05008	11.8
65.03945	1.7
67.05508	78.9
69.03439	21.8
69.07078	14.3
69.75968	5.3
70.06545	1.8
70.09634	1.1
70.16583	1.2
70.23853	1.4
71.04997	8.5
73.06539	1.4
79.05490	7.1
81.03408	2.6
81.07060	25.9
83.04982	43.6
83.08151	2.7
83.08622	34.5
85.06076	2.1
85.06551	20.8
87.04469	3.1
91.05498	9.7
93.07054	17.4
95.04977	8.9
95.08612	20.5
97.02888	1.9
97.06541	2.5
97.10176	4.6
99.04462	1.9
99.08092	9.6
101.06041	6.5
105.03375	6.1
105.07016	10.7
107.08601	24.2
109.02882	3.3
109.06492	3.5
109.10162	100.0
111.08080	6.7
115.05442	2.0
115.07568	1.7
117.07050	3.2
119.08598	12.5
121.06544	6.9
121.10155	11.4
121.79211	1.6
123.08054	3.3
123.11715	24.9
125.09637	11.6
127.03918	1.4
127.11198	25.3
128.06248	1.4
129.07008	1.8
131.08580	7.4
133.10138	9.6
135.08067	2.6
135.11679	17.0
137.09657	6.9
139.11186	1.6
140.15685	1.2
141.07002	2.2
142.07773	1.6
143.08571	5.1
144.09367	2.3
145.06447	2.3
145.10132	7.8
147.11667	3.0
149.13277	9.4
151.03899	11.6
151.11194	7.4
151.14825	3.1
153.07024	1.7
153.12759	6.1
155.08575	4.9
155.10686	3.5
157.06444	2.0
157.10144	2.4
158.10884	3.7
159.08003	3.6
159.11671	7.0
167.14334	27.4
168.09242	1.5
169.10118	3.4
169.12242	26.8
170.10883	2.4
171.08044	3.5
171.11699	2.5
172.08879	2.1
173.09627	13.2
173.11728	9.5
173.13251	9.6
175.14789	6.7
181.10098	1.7
183.08189	1.7
183.11671	3.4
185.09731	1.8
185.13449	1.9
185.15369	8.2
186.10402	4.7
187.11171	13.5
193.15900	13.5
196.12378	1.9
197.01233	2.3
201.05516	2.9
201.12744	11.5
201.16254	2.7
211.11343	2.7
211.14914	4.0
211.16931	52.4
214.09996	1.8
229.05026	4.0
229.08635	12.7
229.12321	19.2
229.14246	7.0
229.15903	12.5
229.17996	4.8
229.23666	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	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01862	0.5
57.03411	0.5
58.06601	7.0
59.07376	1.5
60.07880	0.6
60.08164	8.1
68.01903	0.3
68.05029	1.0
70.06596	42.9
70.17760	1.0
72.08173	1.3
77.47807	0.4
82.06582	1.4
82.99837	1.2
84.08119	0.8
92.81068	0.4
96.08135	1.8
98.06040	1.0
98.97593	0.4
100.02460	0.4
101.00890	8.3
104.14882	0.4
112.07626	0.7
114.05540	3.9
114.09177	2.1
115.02430	0.7
116.07104	1.1
119.01929	8.6
120.81925	0.4
124.07600	4.2
126.09144	1.2
126.12755	0.5
126.98788	0.7
130.08667	0.7
131.01907	1.2
133.03471	1.3
136.05399	0.4
137.02950	1.0
142.08643	37.3
143.08983	0.5
144.99794	0.7
158.08147	2.6
168.99857	1.3
170.08116	1.6
170.86685	0.4
187.00926	2.9
187.02527	0.5
187.04575	0.5
196.99287	0.7
205.01833	0.6
211.06343	0.7
215.00380	1.6
220.00282	0.3
229.07391	1.1
229.15486	100.0
230.15762	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.05501	11.4
57.03430	17.0
57.07065	4.6
67.05508	100.0
69.03392	3.3
69.07042	5.2
70.06599	10.3
71.04998	3.5
71.51430	6.9
78.57829	3.5
79.05492	6.2
81.07069	34.7
83.08636	8.2
88.07613	8.8
91.05477	17.0
93.07052	6.7
95.04961	4.8
95.08637	7.4
95.85720	3.5
97.06542	7.9
102.09184	6.8
105.07030	13.2
106.21420	5.1
107.08585	4.5
109.10155	67.0
111.04530	4.8
111.08047	4.3
113.05949	5.0
119.08620	19.1
121.10183	4.7
123.11700	8.5
125.24704	3.9
137.09651	4.4
147.11703	35.1
155.10666	6.7
157.10156	9.3
165.12787	12.1
166.89911	4.1
173.11734	15.3
175.11203	8.7
193.12192	3.8
229.04892	3.9
229.14229	40.8
229.23608	46.0
231.22346	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	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22400	0.3
55.01876	0.6
56.05030	0.3
57.03442	0.4
58.06605	6.5
59.07377	1.6
60.08168	8.1
61.07227	0.3
62.08746	0.3
68.05022	1.6
70.06596	42.6
71.06908	0.3
71.19954	0.5
71.20312	0.3
72.08167	0.7
81.04527	0.3
82.06571	1.3
83.06889	0.3
84.08146	0.4
90.46516	0.2
93.90171	0.3
95.06132	0.4
96.08143	1.9
98.06050	1.0
101.00889	3.3
114.05533	4.1
114.09167	2.2
115.02460	0.3
116.07093	0.8
119.01945	2.9
124.07602	4.0
126.09177	0.9
126.98776	0.3
130.08694	0.3
131.01855	0.4
133.03508	0.6
137.02975	0.3
142.08643	37.0
143.08975	0.5
149.79941	0.2
154.93619	0.3
158.08125	0.9
168.99841	0.5
170.08134	1.8
184.04518	0.3
187.00951	0.6
211.06297	0.5
215.00327	0.7
229.07307	1.2
229.15485	100.0
229.44960	0.3
230.15790	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
54.37110	0.6
55.05512	10.4
56.05853	0.7
57.03440	20.5
57.07079	1.5
59.05008	5.9
61.24438	0.6
65.03939	1.5
67.05508	100.0
68.05849	1.4
69.07069	2.8
69.22814	4.6
69.23232	1.2
71.04999	2.9
79.05495	1.4
81.07056	14.4
82.07382	1.0
83.08628	7.9
85.06547	2.7
87.80661	0.6
89.10832	0.6
91.05483	6.5
93.07050	3.8
95.08620	7.5
95.88309	0.7
96.08965	1.5
107.08578	2.1
109.10162	83.1
110.10500	2.3
111.08097	3.5
117.49357	0.7
119.08590	5.8
121.44644	0.7
137.09628	3.4
155.10663	8.9
173.11745	20.3
176.15166	1.2
189.27524	0.7
229.12119	1.2
229.14365	18.8
229.19485	1.2
230.14728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.97413	0.6
53.03955	0.8
55.01866	1.2
55.05516	11.9
56.96564	1.1
57.03439	19.4
57.07079	2.6
59.05005	5.3
65.03965	1.3
67.05508	100.0
68.05831	0.9
69.03435	1.7
69.07088	3.0
70.06593	1.9
71.04977	3.4
71.07418	0.7
71.40314	0.9
79.05491	2.7
81.03426	1.4
81.07059	16.3
83.05006	1.7
83.08624	7.6
85.06538	3.1
91.05489	7.5
93.07047	6.5
95.04966	1.2
95.08607	7.6
97.06519	1.3
98.97601	2.2
99.08064	0.9
101.06051	0.9
105.07030	2.2
107.08576	4.2
107.73287	0.7
109.10162	82.2
110.10513	1.5
111.08104	4.2
114.97263	0.8
117.07072	1.3
119.08583	6.5
121.06541	0.8
121.10146	2.4
123.11684	1.5
127.11207	1.2
131.08521	1.1
133.10095	1.1
135.11737	1.1
137.09622	4.4
141.07004	1.1
145.06497	0.9
145.10135	1.4
147.11644	2.1
155.10666	6.1
156.03641	1.4
159.11687	1.5
165.12802	0.8
167.14337	1.0
169.12195	1.2
173.05983	1.3
173.09552	1.2
173.10126	0.9
173.11751	17.8
177.00659	0.9
183.08118	0.8
183.11633	0.8
187.11098	1.4
201.05464	1.1
211.07446	0.8
211.14972	1.0
211.16902	2.9
229.05008	1.3
229.08583	4.9
229.12376	1.7
229.14285	24.1
229.19321	0.9
229.23428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03959	0.5
55.01869	0.4
55.05512	9.9
55.34649	0.4
57.03439	19.4
57.07075	1.8
58.15747	0.4
59.05003	6.0
65.03937	2.0
67.05506	100.0
68.05842	0.9
69.07060	2.2
69.40371	3.4
71.04996	4.0
74.51503	0.5
79.05499	1.8
80.20277	0.4
81.07059	12.2
83.08620	7.4
85.06537	2.8
91.05479	5.2
93.07037	3.6
95.08613	5.6
99.08112	0.5
102.11497	0.4
105.07054	0.5
107.08598	1.8
109.10159	82.0
110.10551	1.0
111.08086	3.4
114.67455	0.4
117.07016	0.5
119.08588	5.9
125.09599	0.6
127.11214	0.4
137.09625	4.1
155.10667	7.3
155.11894	0.6
173.11748	18.9
217.64832	0.4
229.14340	21.2
229.19427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05518	12.0
56.05842	5.1
57.06199	1.3
67.05509	1.3
69.03442	1.1
69.07053	2.2
70.06596	4.2
70.27551	2.8
72.08167	1.0
78.04712	3.5
79.05492	2.5
80.77238	0.7
81.07047	2.7
83.08619	5.0
84.04499	1.3
84.08952	3.0
85.02868	1.1
85.09287	1.2
91.05488	2.8
93.07043	1.9
95.04962	1.4
95.08614	1.0
97.02905	0.9
97.06516	1.2
100.11260	56.1
101.10987	2.4
101.11587	37.6
102.11302	1.6
102.11919	15.8
103.05506	1.5
105.04556	0.9
105.07029	1.7
106.04167	2.3
107.04960	1.7
109.02888	1.1
109.06519	0.8
109.10181	1.0
109.74371	0.7
113.03413	0.7
115.05441	1.0
117.06967	1.0
121.06503	2.7
123.04445	6.3
123.08072	0.9
124.05214	1.8
130.05046	1.4
131.08568	1.1
131.64488	0.9
137.05968	1.7
140.79639	0.9
141.10199	1.0
143.30841	0.7
149.05995	2.4
151.03899	1.8
152.04674	2.0
155.04942	0.8
155.08559	1.2
159.72075	0.7
161.06004	0.8
167.07047	100.0
168.07326	1.5
173.06007	1.9
181.08626	2.9
186.03094	6.6
193.08617	2.4
201.05458	4.0
201.75511	0.8
205.98784	1.7
209.16525	3.9
211.07779	0.9
211.11307	1.7
211.17101	15.2
212.03741	1.0
214.81410	0.8
229.04951	2.8
229.08528	1.5
229.12311	2.7
229.15535	2.4
229.18130	26.2
229.23347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11305	0.4
57.57428	0.4
67.05502	1.0
67.79436	0.4
69.03423	0.7
70.06587	1.0
70.54362	0.4
70.81379	1.2
78.04721	3.0
79.05491	1.9
81.07047	0.7
83.75488	0.4
85.02899	0.5
91.05474	2.2
93.07035	1.8
95.04958	1.9
97.06503	0.4
100.11274	0.7
103.05479	1.6
105.03449	0.5
105.07001	1.2
106.04196	2.3
107.04956	1.8
121.06481	2.1
123.04430	7.5
124.05212	2.2
125.05985	0.7
133.06454	0.9
134.03627	0.5
137.05981	0.8
149.05975	1.9
151.03923	1.6
152.04698	1.9
161.06029	0.5
166.06316	0.5
167.07047	100.0
168.07352	1.0
173.05994	0.8
181.08595	2.8
186.03107	3.2
193.08560	1.6
201.05482	1.8
201.12721	0.6
205.98918	0.5
211.09555	0.5
229.05011	1.1
229.12271	1.4
229.15611	1.3
229.17917	0.4
230.04770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	2-Hydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
55.01872	4.7
55.05508	3.3
56.96552	1.0
57.03441	4.6
58.41446	0.4
59.04990	2.1
65.03927	1.6
67.05508	24.2
69.03419	1.2
69.07069	0.7
71.04990	1.2
71.50735	0.6
71.51173	0.5
79.05484	1.4
81.03406	0.8
81.07063	5.6
83.04971	1.3
83.08632	2.4
85.06541	1.2
88.36515	0.5
91.05486	35.9
93.07026	2.6
95.08617	2.3
97.02890	1.5
98.67873	0.4
98.97591	4.4
105.03391	5.9
105.07016	0.8
107.08579	1.8
109.02898	0.6
109.10162	23.1
111.08082	1.0
115.05435	1.5
116.98612	1.1
117.07037	0.7
119.08575	2.6
121.10118	0.7
123.11710	0.9
129.06996	1.1
131.08536	0.9
133.02855	2.5
133.10103	0.5
135.11736	0.9
137.09541	0.8
141.06975	1.4
143.08588	0.6
145.06482	0.6
145.10092	0.9
147.11678	0.7
148.20872	0.4
151.03905	17.6
153.07014	3.6
154.07730	1.3
155.04929	0.5
155.08577	4.2
155.10658	1.4
158.99654	2.0
159.07986	0.5
165.07004	6.4
168.05728	1.1
169.12230	0.7
171.11761	0.6
171.20198	0.4
173.09654	1.0
173.11737	4.7
173.13190	0.9
174.07365	0.4
177.00789	0.7
182.69145	0.5
187.11162	1.7
193.16083	0.6
200.04703	0.6
201.12756	1.3
211.07550	100.0
211.16948	1.5
212.07930	2.2
220.10464	2.1
229.05009	0.9
229.06549	0.6
229.08623	10.8
229.12265	2.4
229.14101	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	228.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.05511	10.0
56.05045	6.6
56.96541	1.2
57.03428	2.1
61.02913	2.1
65.05451	0.8
67.04215	1.1
69.03444	0.8
70.06580	2.6
70.79596	1.8
70.79955	1.3
70.85948	0.8
71.04997	1.1
73.02932	1.2
80.05012	2.3
81.03420	3.8
82.01443	2.7
82.06584	87.0
82.99841	3.2
84.08153	10.5
85.02904	2.3
86.03687	1.1
90.02531	0.8
97.02899	0.9
98.97600	5.8
99.04459	1.1
100.02470	1.9
100.07622	17.5
101.00887	18.1
109.02852	1.1
110.06045	2.0
112.02453	3.0
113.00880	0.8
115.02461	0.8
116.98640	1.9
119.01933	20.6
126.98822	1.4
128.01956	1.3
128.07100	1.6
130.03510	7.0
131.01892	1.8
133.03426	2.0
137.02939	2.0
138.04036	2.9
142.03513	1.4
142.07141	1.2
143.02011	1.0
144.05032	0.9
144.99835	2.3
145.03452	2.2
156.01440	7.2
156.03365	1.9
156.05016	4.2
157.03438	2.4
164.05612	1.5
166.07155	2.9
167.06912	0.9
168.05013	3.0
169.09712	1.1
170.06615	1.4
172.99342	2.1
174.02490	11.9
176.04364	0.9
177.02435	1.3
182.05067	1.0
182.06664	18.4
182.09158	4.9
184.08199	10.6
186.06128	6.6
187.00883	2.5
196.00923	5.9
198.06476	1.6
199.04539	4.5
200.07693	3.4
202.09254	1.3
204.07191	1.1
205.01974	1.1
207.07222	1.2
210.06131	54.0
211.06259	1.0
214.01985	1.0
215.00284	1.2
217.05574	2.5
228.07191	100.0
229.07349	1.7
229.15552	4.7
235.06691	3.1
246.08369	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	228.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.93027	0.8
55.05513	3.9
56.05028	4.8
56.96341	0.8
56.96569	10.4
57.03435	1.2
58.99852	0.9
61.02909	2.5
69.03407	1.3
69.85271	3.4
70.06599	4.4
70.99842	2.3
71.04990	1.3
71.95248	1.2
73.02883	1.3
80.04996	1.2
81.03411	3.1
82.01448	7.5
82.06583	32.3
82.99830	3.9
84.08147	100.0
84.96024	2.4
85.02906	3.3
85.08472	1.5
97.02872	1.7
98.09701	1.1
98.97591	81.2
100.02483	6.0
100.07626	5.8
101.00887	20.9
104.50240	0.7
110.06065	1.2
112.02464	1.9
113.00855	1.8
115.02425	1.4
116.97829	1.5
116.98630	26.0
118.03577	1.1
119.01934	24.8
120.02062	1.2
126.98766	4.2
127.02339	0.9
128.07072	1.0
130.03493	2.6
131.01898	3.0
133.03453	4.1
134.99701	4.2
137.02954	1.6
142.03560	1.1
142.07301	0.8
142.08632	3.7
143.01932	1.0
144.99855	5.8
145.03448	1.7
150.02278	2.3
154.98251	1.5
156.01404	3.4
156.03326	2.3
156.05052	3.0
157.03523	1.9
158.99722	0.8
161.02953	1.5
166.03438	0.7
167.53764	0.9
168.01402	3.2
168.03319	8.8
168.04822	1.4
168.99814	3.5
170.08028	1.0
172.99377	8.3
174.02467	4.8
174.04280	0.7
175.02542	0.8
177.02406	1.7
177.99838	1.2
182.04890	3.9
182.06628	6.5
182.09311	1.5
184.08202	4.3
185.02783	1.1
186.02998	2.4
186.04388	8.6
186.06160	2.2
187.00880	7.1
191.00343	2.4
196.00922	21.1
199.04524	1.7
200.05983	11.3
200.07661	1.2
202.03824	1.8
204.05597	4.4
205.01976	3.9
205.03622	1.2
210.04381	1.6
210.06123	18.6
214.01930	5.0
215.00410	3.2
217.05630	2.3
218.07047	1.2
222.06494	1.6
228.03535	3.3
228.05386	32.9
228.07210	31.5
228.14413	1.1
229.07356	1.0
229.15512	7.2
235.06607	1.9
246.06421	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03937	2.7
55.01868	2.7
55.05513	17.8
57.03433	4.3
57.07074	6.3
59.04995	6.7
62.73214	2.3
67.05493	7.7
69.03432	9.3
69.07073	20.2
71.04996	30.1
71.50633	3.4
79.05482	10.3
81.07064	23.1
81.76787	2.6
82.06572	4.8
82.07427	2.7
83.04981	10.5
83.08603	13.1
85.06519	11.3
86.09698	4.2
87.04488	2.7
87.44473	2.3
87.73502	2.6
91.05481	10.4
93.07047	26.8
95.04972	100.0
95.08607	22.8
97.06531	22.5
97.10159	6.8
99.04464	17.3
99.08098	44.6
100.11266	31.8
105.07034	20.2
107.08596	37.9
109.06510	13.5
109.10158	19.3
110.06027	4.3
111.08092	10.2
113.09674	2.7
115.07534	7.9
119.08585	8.2
121.10157	38.9
123.08060	8.0
123.11734	19.2
125.05982	2.5
125.09648	19.2
127.07558	23.4
131.08563	7.2
133.06519	3.0
133.10144	40.1
135.08029	7.7
135.11697	9.3
139.11182	19.5
141.11481	4.0
143.10693	4.1
147.11676	10.6
149.09644	8.6
149.13281	16.4
151.11180	8.8
153.09138	29.8
155.07149	3.2
163.14801	7.9
163.64505	2.3
165.12785	4.3
167.06999	20.8
167.10667	14.4
167.21211	2.3
171.10194	12.7
171.11528	2.6
173.13293	18.1
181.05011	3.2
182.15401	5.1
191.10689	2.8
191.14294	18.6
196.01669	2.4
209.08072	7.0
209.11653	2.7
209.15239	15.5
227.07088	5.1
227.10588	4.5
227.16383	52.4
228.23254	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05510	4.8
57.03444	4.3
57.07068	3.5
59.04997	1.7
65.03925	1.0
65.60325	0.9
67.05508	4.6
69.03431	1.9
69.07076	4.8
70.77948	2.6
71.04993	14.3
73.06557	0.9
73.39657	0.9
75.04483	2.7
77.24845	0.8
79.05495	3.6
81.07061	9.4
83.04973	3.2
83.08597	2.9
85.06550	5.2
91.05494	2.8
93.07054	10.0
95.04971	100.0
95.08607	8.0
96.05305	1.1
97.06525	14.8
97.10170	2.0
99.04461	16.2
99.08101	15.5
100.11273	6.3
105.07021	4.5
107.08601	12.6
109.06524	11.5
109.10154	7.7
111.08096	3.5
113.06036	1.1
113.09675	1.1
115.07553	4.5
117.07014	1.3
118.08819	0.8
119.08568	4.8
121.10144	8.2
123.08067	1.8
123.11727	5.2
125.05998	1.3
125.09641	4.9
127.07548	6.1
131.08539	4.1
133.10133	21.7
135.08069	3.1
135.11728	2.7
139.11157	9.4
141.11497	1.7
143.08591	1.0
143.10684	2.8
145.10190	1.8
147.11665	4.2
149.09538	0.9
149.13268	6.0
151.11211	1.3
153.09108	25.8
153.12700	2.0
163.14809	2.6
163.64423	0.9
165.12842	1.3
167.07047	2.1
171.10170	6.5
173.13289	9.2
176.82999	1.0
182.15372	1.1
191.14314	8.6
193.77713	0.8
209.15349	13.5
209.17110	1.0
210.14980	1.1
213.17772	1.4
227.10838	1.7
227.14137	1.3
227.16391	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03944	7.2
55.01866	7.0
55.05266	2.6
55.05513	28.2
57.03437	8.1
57.07069	7.7
59.04995	4.8
59.23351	1.9
65.03929	3.2
67.05172	3.1
67.05504	32.8
69.03432	41.6
69.07069	39.3
69.56142	1.8
70.29402	5.8
71.04993	41.8
76.99776	1.8
79.05495	49.2
79.47676	1.7
81.03429	13.8
81.07063	63.3
83.04985	24.4
83.08627	15.5
85.02917	4.6
85.06512	8.4
87.04469	3.9
91.05479	23.1
93.07044	53.1
95.04971	33.3
95.08609	51.1
97.06548	14.9
97.10179	22.4
98.97565	2.4
99.04459	10.3
99.08089	7.8
100.11246	7.0
103.05470	3.3
105.07034	31.9
107.04960	10.9
107.08596	100.0
109.06525	16.0
109.10159	44.1
111.04453	3.3
111.08080	21.0
115.07594	10.0
117.07003	4.6
119.08590	11.3
121.06506	18.2
121.10139	35.7
123.08058	10.4
123.11697	13.2
125.05991	3.7
125.09646	28.5
128.93640	1.9
129.07014	2.5
129.09077	3.9
131.08556	13.9
132.08015	1.7
133.10146	23.0
135.08058	29.3
135.11708	14.7
137.09599	11.0
139.07573	3.5
141.05370	2.0
143.08560	4.3
143.10672	6.9
145.10156	6.1
147.11693	18.2
149.09604	19.0
149.13261	17.1
151.11174	24.8
153.09146	11.7
158.10991	4.4
161.13277	3.5
163.11131	2.2
163.14839	25.7
165.12798	15.6
167.07051	11.8
167.10699	2.1
171.10168	2.3
172.22267	2.1
173.13255	34.7
179.14374	2.4
191.14304	37.0
199.09711	1.6
209.08139	8.4
209.15355	19.9
227.10692	2.1
227.12808	2.0
227.16365	18.2
244.35324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03949	1.0
53.74541	0.6
55.01861	1.5
55.05513	5.3
57.03443	3.7
57.07074	2.3
59.04995	2.1
65.03934	0.8
67.05511	6.2
69.03439	3.1
69.07072	6.0
71.04998	10.9
71.50845	0.7
73.06541	0.9
75.04485	1.7
79.05501	5.7
81.03429	1.0
81.07062	11.3
83.04977	2.7
83.08640	3.0
85.06549	5.8
91.05499	5.2
93.07049	12.3
95.04976	100.0
95.08601	7.7
96.05312	0.9
97.06541	15.1
97.10194	3.7
99.04458	10.0
99.08101	10.4
100.11259	6.8
101.06009	0.7
103.05497	0.9
105.07033	5.9
107.04939	1.4
107.08605	13.9
109.06526	7.2
109.10160	6.1
110.07050	0.6
111.08096	4.3
113.06042	0.9
115.07557	3.2
117.07050	1.2
119.08601	4.1
121.06515	2.0
121.10149	11.5
123.04495	1.4
123.08081	2.7
123.11734	6.5
125.06006	0.8
125.09645	6.8
127.07559	3.8
131.08589	3.8
133.10139	14.3
135.08060	3.6
135.11719	4.1
137.05995	0.8
137.09650	1.4
139.11198	5.1
143.10724	1.9
145.10139	2.2
147.11697	3.6
149.09651	4.1
149.13246	5.0
151.11214	3.1
153.09114	23.2
153.10359	1.1
153.12753	0.6
155.07152	0.7
155.08507	0.6
155.37050	0.6
158.10880	0.9
163.11119	1.2
163.14876	2.2
165.12775	3.4
167.03378	0.9
167.07069	6.2
167.10701	2.6
171.10153	10.3
173.13271	7.8
177.05484	1.1
183.13873	2.1
191.10728	2.1
191.14323	5.4
195.06490	0.6
209.08093	2.1
209.11807	1.4
209.15344	13.3
211.08369	0.6
227.10594	1.2
227.16368	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.68919	3.0
53.03933	5.4
55.01873	3.6
55.05506	11.4
57.03432	7.2
57.07069	6.2
59.05008	5.9
59.67011	2.3
62.14046	2.5
67.05502	9.7
69.03450	5.8
69.07078	13.3
70.06547	2.8
70.90263	2.8
70.90571	4.1
71.04993	28.0
75.04484	2.6
79.05497	9.2
81.03406	3.8
81.07057	23.5
83.04987	6.6
83.08623	7.1
84.71996	2.4
85.06550	9.1
87.41755	2.2
91.05456	14.9
93.07058	25.5
94.48722	2.3
95.04973	100.0
95.08597	18.2
97.06531	18.2
97.10188	4.8
99.04449	12.7
99.08096	34.1
100.11279	18.4
103.05472	3.2
105.07032	11.2
107.04982	3.6
107.08595	24.8
109.06531	18.7
109.10175	7.8
111.08054	6.4
115.07576	9.2
119.08568	8.4
121.06496	7.3
121.10149	21.3
123.04446	6.7
123.11704	5.7
125.05997	5.3
125.09630	9.0
127.07542	19.9
128.66335	2.4
131.08502	5.7
133.10146	34.8
134.03763	2.5
135.08083	6.5
135.11713	5.4
137.09651	3.8
139.11195	14.5
143.10706	3.5
145.10112	3.9
147.11728	7.0
149.05992	5.4
149.09679	3.7
149.13249	10.5
151.11230	4.7
153.09116	30.8
155.07004	6.5
158.10829	2.8
163.14839	3.9
167.07057	26.2
171.10228	12.2
173.13254	15.7
177.05464	6.2
181.08478	3.2
191.10690	5.4
191.14302	14.1
209.08162	5.1
209.15225	13.4
227.16367	45.8
227.19875	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03938	2.1
55.01868	1.8
55.05520	7.3
57.03423	3.9
57.07050	4.1
57.13785	1.2
59.04986	4.8
65.03923	1.6
67.05503	9.5
69.03421	2.3
69.07074	11.6
69.66624	4.9
69.67038	2.2
70.06593	2.7
71.04669	1.8
71.05001	19.9
73.06535	2.1
79.05506	9.5
81.06662	1.5
81.07064	15.7
83.04965	3.3
83.06123	1.9
83.08611	3.3
84.08150	2.1
85.02934	1.3
85.06556	9.8
86.09721	1.4
91.05482	7.0
93.07050	24.1
95.04975	100.0
95.08603	10.8
97.02835	1.1
97.06533	18.0
97.10136	3.0
99.04461	11.0
99.07493	1.6
99.08099	20.8
100.11251	5.4
101.05990	1.5
103.05454	1.4
105.07048	9.1
107.04959	2.7
107.08605	19.6
109.06524	15.9
109.10162	10.1
110.06068	1.8
111.04471	1.1
111.05543	4.2
111.08069	6.3
112.05073	3.4
113.05984	1.9
113.09631	2.0
115.07551	4.5
117.06930	1.1
119.08604	6.1
121.06487	3.0
121.09363	1.2
121.10159	18.1
123.08034	3.2
123.11703	4.9
125.05979	2.5
125.09648	13.4
127.07534	8.1
131.08603	5.6
133.10132	25.7
135.08032	4.6
135.11665	5.1
137.09572	2.1
139.07553	2.2
139.11183	11.3
143.08572	1.1
143.10655	6.3
145.10097	2.1
147.11754	5.6
149.05986	2.0
149.09589	3.2
149.13268	6.7
151.11148	4.4
153.09125	22.2
161.49721	1.2
163.11273	1.3
163.14856	4.1
165.12758	3.4
167.07066	14.4
167.10588	1.3
171.10185	20.7
171.11632	1.7
173.13281	10.2
177.05380	1.6
183.06523	2.2
191.10687	2.2
191.14339	9.6
195.06505	2.9
209.08110	3.6
209.11691	1.4
209.15373	20.8
227.06981	2.9
227.14171	2.4
227.16406	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.45531	0.8
53.03964	1.2
55.01877	1.7
55.05512	11.6
57.03438	4.6
57.07071	2.7
59.04999	3.3
67.05518	5.3
69.03436	3.7
69.07066	8.1
70.56264	2.8
71.05000	15.2
73.06564	1.5
75.04469	2.5
79.05492	6.2
81.07059	12.8
82.06583	2.0
83.04983	3.6
83.08628	5.4
85.06546	6.3
87.04472	2.2
91.05495	5.5
91.58103	1.1
93.07047	11.6
95.04973	100.0
95.08611	9.9
97.06537	17.1
97.10173	3.4
99.04456	15.4
99.08098	17.7
100.09428	2.1
100.11261	16.6
105.07037	6.8
107.04966	1.2
107.08594	14.9
109.06523	10.9
109.10163	7.4
110.06047	1.1
111.04487	1.3
111.08095	3.4
113.06025	0.9
115.07578	3.8
115.65411	0.8
117.13910	1.1
119.08582	5.3
121.10155	11.7
123.08014	1.6
123.11727	7.3
125.06007	1.0
125.09630	6.8
126.09104	1.1
127.07568	6.7
128.07060	0.9
131.08607	4.0
133.10141	22.6
135.08044	3.8
135.11714	5.1
137.09631	1.5
139.11192	7.6
141.11482	3.0
143.10713	4.0
145.10065	1.5
145.13312	1.1
147.11658	4.8
149.13289	6.4
151.11153	4.4
152.71078	1.0
153.09117	26.2
154.12198	1.7
158.11037	0.9
163.14824	3.6
163.64453	0.9
167.07085	3.3
167.08447	1.6
171.10207	8.7
173.13264	11.2
182.15428	3.1
191.14288	8.4
199.18068	1.5
209.15298	15.6
213.17810	5.6
227.10674	2.4
227.16350	23.3
235.81761	0.9
244.20119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03955	3.7
55.01863	1.7
55.05518	11.0
57.03438	4.5
57.07070	4.1
59.04995	3.6
59.69208	1.1
65.03931	2.7
67.05509	9.2
69.03430	4.2
69.07072	10.3
70.06584	1.7
70.30547	1.1
70.75993	3.5
71.04999	20.8
71.87189	1.1
73.02914	3.7
73.06561	1.3
75.04459	1.9
78.75834	1.3
79.05495	6.7
81.03426	3.9
81.07065	15.1
82.06569	1.6
83.04993	6.5
83.08634	6.2
84.08152	3.0
85.02897	2.5
85.06547	8.7
89.07488	1.1
91.05490	10.4
93.07051	17.2
95.04977	100.0
95.08601	12.7
96.37296	1.1
97.06547	18.2
97.10160	4.0
99.04459	12.8
99.08097	27.1
100.11271	14.9
103.05523	2.1
105.07034	10.8
107.04980	2.1
107.08607	23.7
109.06525	15.6
109.10153	8.9
111.04451	2.0
111.08099	4.0
113.06032	1.8
113.09666	2.2
115.07592	6.4
117.07007	1.4
119.08607	6.3
121.06541	3.3
121.10157	18.9
123.04443	2.7
123.08104	4.2
123.11745	5.8
125.05991	2.1
125.09631	8.6
127.03903	1.9
127.07556	17.3
131.01628	1.1
131.08563	6.5
133.10143	26.8
135.08051	4.2
135.11685	4.7
137.09656	2.7
139.07550	2.7
139.11182	12.0
140.04720	6.0
141.42535	1.5
143.08560	1.3
143.10672	5.4
145.10149	3.3
147.11696	5.1
149.09637	3.2
149.13292	6.9
151.04012	1.2
151.11194	4.4
152.04655	1.3
153.09116	29.2
155.07071	8.0
163.11159	2.1
163.14801	5.6
165.12746	1.4
166.06256	1.9
167.07062	22.9
167.10692	3.1
171.10181	10.4
173.13280	11.5
177.05524	1.8
181.05011	9.8
181.08586	2.3
191.10706	1.6
191.14320	8.6
195.06534	1.8
209.04588	1.2
209.08107	6.4
209.11676	2.2
209.15219	11.1
210.11311	2.3
227.07037	1.8
227.10777	1.5
227.16353	32.8
228.16785	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
53.03940	2.5
55.01883	3.3
55.05512	23.6
55.71634	1.9
57.03437	6.6
57.07072	4.4
59.04995	3.7
65.03935	2.9
67.05516	13.0
68.99799	11.9
69.03429	6.3
69.07069	11.9
71.05000	6.3
71.51644	2.9
79.05495	14.6
81.07067	27.9
82.06608	2.0
83.04992	4.9
83.08623	41.4
85.06550	5.6
85.10191	5.6
91.05489	34.9
93.07053	28.9
94.26138	1.9
95.04980	45.2
95.08640	9.7
97.06559	5.2
97.10165	5.6
98.97594	6.9
99.04462	5.9
99.08084	3.4
100.11255	22.2
101.02401	11.9
105.07045	8.4
107.04945	3.5
107.08602	64.5
109.06532	29.7
109.10172	15.2
111.04445	4.0
111.08089	100.0
113.09632	2.1
116.98614	3.4
117.05508	3.1
119.03413	5.4
119.04984	2.2
119.08593	6.3
121.06534	7.8
121.10188	9.6
123.04371	2.2
123.08057	4.7
123.11678	4.0
125.09645	22.4
127.07577	2.5
129.07001	2.0
131.08545	4.4
133.10155	5.2
135.08063	14.3
135.11728	8.9
137.05977	13.1
140.04774	2.3
143.08597	4.3
145.10146	7.7
147.80984	1.9
149.05995	2.9
149.09631	8.8
149.13292	2.6
151.07561	5.4
153.01878	2.5
153.09120	63.8
155.07060	9.9
157.10159	2.4
159.04482	2.4
163.11226	5.5
165.06984	2.2
167.07065	28.5
167.10696	6.8
169.08617	69.3
171.08023	2.8
171.11739	3.4
173.13319	2.9
177.00742	2.5
177.05464	7.3
177.09123	4.2
181.06517	3.1
185.11801	19.1
185.13284	3.8
191.14362	2.4
195.10178	53.0
209.16684	2.2
219.09599	2.3
227.07098	8.3
227.10698	5.7
227.12788	7.0
227.18062	10.6
228.10289	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	227.1279
Annotation	Chloriolide
Peak:m/z	Relative Intensity
52.80017	3.5
53.03950	8.9
55.01877	12.0
55.05511	35.7
67.05506	29.8
69.03417	6.5
69.07080	14.6
71.04184	7.1
71.05003	8.4
73.02927	6.0
77.94804	3.2
79.05502	52.7
81.03423	5.8
81.07061	38.9
83.04982	8.7
83.08641	18.2
91.05479	16.2
93.07043	52.8
95.04971	14.5
95.08615	60.0
97.06552	4.1
97.10178	13.9
99.04483	10.7
100.11266	25.8
103.05472	7.0
105.07053	10.0
107.04990	18.0
107.08611	37.6
109.10187	6.3
109.66399	3.2
111.04416	4.9
117.07047	14.1
119.08545	17.0
121.06517	19.2
121.10130	17.5
123.04405	5.1
125.09647	10.1
126.67039	3.1
128.06250	4.9
131.04982	3.6
133.10138	3.7
135.11711	58.0
137.06017	8.0
140.04732	5.2
143.08525	7.1
145.10118	32.2
149.06004	20.2
153.09169	4.5
155.64462	4.1
163.11186	87.1
167.07050	95.7
167.08444	7.0
171.11743	3.9
177.05446	23.8
181.12224	18.6
199.07545	3.8
209.08157	6.3
209.16553	6.3
227.10574	8.0
227.12701	100.0
227.17838	10.7
228.08524	3.5
243.16222	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03950	3.0
55.01871	5.9
55.05513	11.9
56.96573	5.6
57.03437	3.0
57.07066	5.9
63.98785	2.0
65.03945	6.1
67.05511	26.6
68.99786	2.4
69.03423	4.3
69.07063	11.6
70.06591	2.0
71.04994	19.4
71.51315	3.1
73.02916	6.8
79.05495	34.4
81.03422	3.7
81.07067	10.8
83.04982	10.3
83.08636	4.7
84.49001	2.1
85.02919	2.1
85.06550	100.0
91.05492	24.9
93.07055	33.5
95.04971	31.0
95.08611	9.9
97.06520	10.3
99.04446	5.7
99.08094	8.9
100.11278	16.7
103.05457	2.8
105.07040	20.0
107.04964	14.4
107.08596	36.0
109.02907	2.5
109.06532	10.4
109.10159	4.0
111.04444	14.8
113.06021	2.6
117.07036	8.4
119.08585	20.5
121.06532	17.1
121.10149	25.5
123.04443	6.1
123.08092	3.2
125.02265	2.1
125.06023	9.4
125.09678	3.3
129.07047	7.4
131.08575	69.9
133.10162	5.5
135.08119	3.1
135.11687	5.3
137.09660	12.2
139.03920	8.5
139.07521	3.8
140.04709	12.2
145.10130	28.4
147.08122	3.9
149.05983	6.4
149.09630	63.5
149.13373	2.1
151.03934	9.3
153.05521	5.6
153.06996	3.6
153.09128	7.5
155.07040	15.3
155.08235	2.6
163.07521	2.8
163.11203	24.6
163.14835	3.8
165.09138	8.1
167.07059	17.0
167.10699	34.3
173.09615	8.4
173.13354	2.6
174.02554	3.8
177.05452	3.7
179.00188	4.7
181.05009	23.8
181.06506	4.2
181.08614	3.2
183.03101	7.1
191.10667	51.1
195.06593	4.6
197.01256	5.4
197.11777	2.7
199.07530	4.1
209.08115	8.6
209.11745	51.6
209.15033	2.5
223.16188	2.0
227.02287	2.9
227.06706	9.5
227.08893	3.6
227.12663	17.1
227.17781	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	227.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
61.17948	1.9
70.99071	4.4
71.04988	3.4
74.66110	2.1
78.00999	2.1
81.03419	2.5
82.06577	3.7
85.91036	2.1
86.03701	3.9
101.00887	4.1
104.31538	2.2
119.01887	2.5
124.01615	7.7
130.04761	2.0
150.95599	2.9
158.35063	2.8
168.00600	75.4
181.05270	4.4
197.06595	4.4
206.07115	3.7
210.06027	3.1
226.86737	2.4
227.07945	100.0
228.07193	4.2
235.06618	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05505	2.6
55.19940	0.9
57.07078	2.3
64.85305	1.0
67.05503	6.7
69.03427	1.5
69.07063	1.6
70.62498	2.6
71.04995	1.5
79.05497	3.0
81.07058	19.0
82.64574	0.9
83.04984	3.1
83.08651	1.2
85.02908	100.0
85.06531	1.7
91.05486	4.2
93.07050	4.7
94.97426	0.9
95.04959	2.4
95.08606	11.7
97.06549	1.0
99.04456	2.8
99.08057	1.1
105.03397	1.2
105.07031	4.4
107.04971	2.0
107.08598	5.3
109.06532	2.8
109.10154	10.0
111.04430	2.0
119.04950	3.1
119.08578	5.0
121.06482	2.1
121.10152	7.8
123.08060	4.5
123.11708	79.6
124.12049	1.0
125.05984	6.9
131.08601	2.2
133.06487	1.0
133.10173	1.1
137.05975	1.6
137.09566	1.1
139.07561	1.4
145.10132	2.0
147.04411	2.9
147.08054	3.1
147.11679	4.0
147.36259	1.0
148.01843	1.1
149.09637	7.0
149.35349	1.0
151.07538	3.9
161.13283	2.2
165.12840	1.3
167.10770	1.5
175.03957	3.1
179.07037	2.4
179.14310	1.2
180.04085	1.2
189.12770	3.9
197.06068	1.7
207.06548	3.6
207.13812	22.2
225.09242	1.2
225.14880	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03945	4.7
53.66113	1.8
55.01876	2.9
55.05518	15.1
57.03426	4.7
57.07064	4.1
59.05004	3.2
61.01171	2.1
65.03923	4.7
67.05511	31.2
68.46056	1.8
69.03437	100.0
69.07080	17.6
69.44473	12.4
70.06580	1.7
71.04991	14.4
71.14489	1.9
77.03931	2.2
79.05500	23.1
81.03413	7.3
81.07060	44.3
83.04993	9.7
83.08614	8.8
84.08144	9.9
85.02898	9.0
85.06525	4.1
87.04447	3.1
87.49194	2.0
91.05486	45.8
93.07047	24.5
95.04982	19.7
95.08620	29.4
96.08132	3.9
97.02897	5.4
97.06547	10.5
98.21056	7.2
99.04468	22.2
103.05489	2.9
105.03368	5.6
105.07038	50.5
105.32256	1.8
107.04945	8.9
107.08591	25.4
109.06519	28.7
109.10149	12.3
110.07269	2.8
111.04459	3.1
111.08064	8.1
117.07006	4.2
118.04192	3.6
119.04942	24.6
119.08591	31.7
121.06570	9.1
121.10155	26.1
122.07273	6.0
123.04471	18.0
123.08060	20.3
123.11710	10.7
125.05981	2.8
125.09626	4.3
129.07056	2.6
130.08606	3.0
131.08557	4.8
132.02103	5.5
133.02824	2.2
133.06514	15.7
133.10141	63.7
135.04390	2.9
135.08081	4.4
135.11723	3.5
136.05174	2.8
137.06006	15.4
137.09630	48.9
137.13190	2.3
139.11189	19.4
141.06979	3.4
143.08588	2.9
145.10132	8.0
147.04420	18.7
147.08043	8.6
147.11699	31.0
149.02293	3.4
149.09607	8.3
151.03923	3.9
151.07547	20.5
151.11208	4.1
156.09315	8.1
157.03918	2.1
159.08054	4.7
159.11707	4.5
161.09644	2.8
161.13272	18.7
162.12814	8.0
163.11188	14.0
164.04709	4.9
165.05478	5.8
165.09212	2.6
165.12788	3.0
167.07016	4.1
167.10674	7.3
171.11743	10.6
174.10426	8.2
175.03912	34.8
176.04430	2.6
177.12691	2.8
179.07069	23.3
179.08525	3.5
179.14346	3.6
180.04230	4.1
183.06544	3.0
183.13774	4.2
189.12785	27.1
192.04198	8.7
193.04875	3.2
197.08009	2.1
207.06551	38.1
207.13820	28.4
225.03979	2.6
225.07516	5.5
225.09201	6.1
225.14626	4.5
225.16446	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.00295	3.2
53.03931	6.8
55.01861	6.9
55.05512	18.4
57.03444	7.2
59.04974	5.5
63.02068	3.4
65.03950	6.8
67.05512	42.6
69.03080	7.2
69.03439	92.4
69.07073	25.9
69.52009	25.1
70.06584	3.8
71.04991	17.1
78.44966	3.9
79.05496	36.9
79.40349	3.7
81.03411	7.9
81.07075	51.5
83.04993	19.9
83.08630	7.3
85.02912	28.1
90.07957	4.0
91.05494	50.2
93.07053	41.8
94.07931	3.7
95.04966	17.2
95.08626	33.3
97.06540	19.5
99.04470	9.2
99.08100	5.6
101.06020	4.0
103.05482	6.7
105.03419	4.5
105.07042	65.4
107.04958	11.1
107.08604	49.0
109.06513	34.3
109.10175	37.8
111.04477	3.6
111.08099	7.6
117.07041	6.5
119.04961	14.2
119.08590	40.6
121.06507	13.3
121.10168	69.3
122.07272	6.2
123.04449	14.1
123.08066	28.2
123.11703	32.1
125.06020	8.4
125.09670	5.4
129.07077	4.6
131.08545	4.1
132.02129	4.4
133.06511	8.9
133.10138	47.5
135.08133	4.9
135.11710	7.0
136.05180	7.1
137.06007	23.3
137.09634	67.9
139.11208	21.4
141.06973	4.4
143.08530	6.5
145.10136	16.8
147.04442	10.8
147.08041	11.4
147.11717	43.2
149.09627	100.0
151.07547	20.0
151.11185	19.0
156.09351	11.7
159.11684	5.1
161.13258	31.4
163.09982	4.5
163.11179	20.0
164.04698	6.5
165.05510	7.2
165.12794	13.6
171.11697	13.7
174.10451	12.6
175.03958	12.7
177.03143	3.6
177.12756	4.1
179.07062	37.8
179.08421	5.9
179.14345	6.3
181.12267	5.7
189.12730	44.5
192.64093	4.1
207.06525	11.9
207.13806	39.3
207.86058	3.6
210.05228	10.2
225.05605	5.1
225.07544	12.9
225.09377	7.5
225.14914	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07840	0.9
65.39507	0.8
69.85335	0.8
69.85664	5.4
82.99856	4.8
101.00887	46.5
102.00979	1.3
116.98840	1.6
119.01925	59.2
120.02001	1.9
128.95067	1.0
134.99895	2.5
137.02960	10.1
140.98840	7.2
142.03513	10.1
145.48651	1.4
153.00902	1.2
158.99899	21.9
160.00006	2.2
160.04596	1.5
161.02968	5.4
170.65363	1.0
175.03003	1.4
177.00961	100.0
178.01088	6.5
179.00714	1.1
179.04080	4.7
182.99884	3.4
184.04616	1.8
193.04129	1.3
201.00925	9.6
201.02489	2.2
202.02695	1.1
207.01523	1.0
217.04111	13.6
218.04347	1.1
219.02011	94.7
219.94463	2.9
220.02150	12.4
221.02148	1.0
225.00964	3.5
234.00703	2.4
237.95525	1.2
242.96164	1.3
243.01981	24.1
244.02167	1.1
248.81523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03956	3.3
55.01871	2.8
55.05500	5.0
57.03447	2.0
57.07079	1.8
59.04983	1.8
61.96252	1.4
65.03939	6.3
67.05504	6.6
69.03423	3.6
69.07071	5.5
70.06583	4.3
71.04996	4.3
71.50629	1.7
79.05498	7.9
80.05004	2.9
81.03424	2.5
81.07053	7.1
83.04990	4.3
83.50355	1.8
85.02885	3.3
89.03919	2.0
91.05490	65.0
92.05821	2.3
93.07043	6.1
95.04965	11.3
95.08607	5.6
97.02945	2.7
97.06516	3.3
98.09718	2.1
99.04458	8.2
103.05447	2.6
105.03408	8.9
105.07025	6.7
107.04958	4.2
107.08605	8.1
109.02877	1.6
109.06541	4.1
109.10179	4.4
118.04147	7.2
119.04957	61.3
119.08609	6.7
120.05585	2.2
121.02898	3.2
121.06498	3.5
121.10150	6.3
122.09680	5.7
123.04417	3.2
123.08073	9.6
123.11720	3.2
125.06029	4.2
127.03890	2.2
132.02090	5.0
133.06441	1.7
133.10152	3.9
135.04446	4.4
135.08026	2.6
135.11722	1.9
136.05220	2.7
137.05962	6.5
137.09631	5.6
138.06874	2.3
144.02727	1.8
147.04420	50.7
147.07982	3.9
147.11668	4.1
148.05194	2.1
149.00493	1.8
149.02348	7.4
149.09613	5.5
151.03899	4.1
151.07527	4.6
153.05522	3.0
157.04002	5.6
161.05984	1.9
161.09526	3.0
161.13274	2.6
163.03937	3.4
163.11179	4.4
164.04694	6.8
164.08321	2.9
165.05484	4.2
165.09148	4.9
165.12721	1.9
171.11740	1.9
174.03078	2.8
175.03928	88.6
177.01869	3.4
179.07149	10.6
179.10757	2.5
180.04160	4.5
181.08621	10.1
183.06561	2.2
189.09145	2.3
189.12799	4.8
192.04210	24.1
192.99591	2.3
193.04927	3.5
195.10150	4.9
196.40022	1.7
197.05983	3.4
207.06544	100.0
207.13841	7.2
210.01656	2.0
225.03966	3.0
225.05811	2.5
225.07440	3.8
225.09186	5.4
225.14815	5.4
227.04083	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28559	2.8
55.01867	4.3
55.05502	11.0
56.96559	7.5
57.03415	7.1
57.07072	2.7
61.02919	6.7
67.05494	12.7
68.05048	3.3
68.99775	3.2
69.03427	16.2
69.07060	4.8
70.06585	5.7
70.46467	6.5
71.04986	4.8
72.08153	6.6
73.02908	8.5
77.00892	4.3
79.05508	5.4
81.03419	8.1
81.07050	8.2
82.99831	6.9
83.04973	9.5
84.04494	3.3
84.08155	16.9
85.02913	17.8
85.06557	3.9
86.06087	3.2
86.99322	3.4
87.04440	3.9
91.05476	11.4
93.07053	2.9
95.04977	12.6
95.08587	2.7
96.04469	4.8
96.08102	2.8
97.02908	14.0
97.06562	5.1
98.97608	8.6
99.04465	5.7
100.02512	5.9
101.00217	4.2
101.00880	53.3
101.02533	5.1
102.00973	3.2
103.02429	4.4
105.03403	13.0
105.07026	3.5
107.04939	6.4
107.08575	7.0
109.02859	5.3
109.06530	3.8
113.00890	7.5
115.02433	8.8
116.98607	4.7
117.03976	4.7
119.01932	100.0
119.04916	6.4
119.08572	5.4
120.02003	13.7
120.05586	2.8
121.01640	7.0
123.04437	3.1
123.08063	7.0
124.02468	4.5
127.03921	4.4
129.03967	9.2
131.01932	21.6
133.03505	6.5
133.10156	4.2
134.05936	3.2
135.08116	2.7
137.02950	17.6
137.05949	6.3
138.09068	2.8
141.04002	3.3
142.03488	26.5
143.01898	16.2
145.03409	14.7
146.03477	6.5
147.01382	3.9
147.03276	5.3
147.04376	6.8
150.05392	3.5
153.01854	4.5
154.03502	3.9
155.01918	7.0
155.03651	3.8
156.05049	6.6
157.03503	10.4
158.06628	4.3
158.99858	3.3
160.04555	7.0
161.03000	32.3
162.02994	3.9
164.04597	3.0
165.03978	4.0
166.06306	4.4
166.08626	4.9
167.07001	3.8
169.05235	5.0
171.05008	5.0
172.04753	3.7
173.02945	8.8
173.06773	4.2
174.06177	4.8
175.04015	6.7
177.00980	24.9
178.00998	3.9
179.02390	4.5
179.04007	22.0
180.04128	4.1
182.99854	3.2
183.01355	4.5
184.02179	6.8
184.04596	11.7
185.02950	9.9
185.04645	5.2
185.06612	2.7
187.04518	6.5
189.06136	4.9
192.04092	5.5
193.04871	5.0
197.02962	4.3
197.04694	6.5
197.06441	3.5
199.04541	9.1
199.11203	3.7
201.00827	5.9
201.02470	18.5
202.02580	10.1
202.04045	5.3
202.05696	8.9
203.02332	4.1
203.04022	12.2
207.01414	10.8
207.03172	3.3
207.06549	12.7
215.04031	4.5
215.05833	5.3
219.01843	25.3
219.05273	2.8
220.02016	5.8
220.03925	4.0
221.05110	13.4
225.02260	15.5
225.04207	10.3
225.12399	9.1
226.05669	4.0
227.04082	4.6
235.06697	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	225.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23857	5.1
69.24287	5.7
82.99830	6.7
95.39234	1.0
98.21520	2.5
98.97811	1.5
99.70915	1.0
101.00886	50.5
102.00966	1.5
104.50765	1.1
116.98872	3.1
119.01920	60.8
122.97785	1.4
124.02463	1.3
134.99915	4.6
137.02950	6.6
140.98842	10.4
142.03487	4.2
158.99899	28.0
161.02919	3.5
164.11667	1.1
175.03038	2.1
177.00958	96.0
178.01064	4.5
179.04010	1.7
182.99898	5.3
184.04668	1.5
193.04117	2.4
195.02008	1.3
199.03053	1.1
201.00920	14.9
201.02495	1.0
217.04083	12.1
219.02011	100.0
220.02116	9.5
221.53268	1.1
225.01016	4.2
234.00771	2.3
243.01991	33.0
244.02193	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	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03952	0.6
55.05508	0.7
58.06606	4.5
59.05008	1.3
65.69196	0.6
68.05018	1.0
70.06583	0.8
71.19897	1.2
72.08161	2.3
77.35664	0.6
79.05492	5.6
81.03410	0.8
82.06577	1.1
91.05486	10.3
93.07040	2.0
95.05003	1.4
103.05479	13.2
104.04949	0.8
105.07037	38.4
107.04961	5.4
110.06073	0.7
110.09673	0.8
112.88586	0.6
115.05444	1.1
117.05791	0.9
117.06978	1.4
118.06554	14.8
119.04966	0.6
119.07335	2.8
120.08119	21.0
121.06524	8.8
128.06233	5.6
130.06541	3.1
131.04929	3.2
131.07327	3.4
131.08551	2.0
132.08073	2.6
136.07640	0.7
143.08582	4.4
145.08839	1.1
147.04395	1.1
149.04829	0.7
150.09145	0.6
152.10689	0.8
158.09665	0.9
160.11229	100.0
161.11636	1.5
164.03429	0.7
164.07069	3.6
178.12282	86.1
179.12575	2.0
190.32736	0.6
191.62834	0.6
192.04195	0.6
201.49712	0.7
206.11783	11.9
207.06531	1.1
215.23872	0.6
224.09219	2.2
224.12830	31.9
225.13132	0.8
226.04449	1.2
228.02228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
56.96554	0.5
79.05509	0.5
81.03430	0.4
81.07082	0.4
91.05483	6.4
93.07047	9.3
95.05004	1.9
98.01144	0.4
98.97576	1.3
100.46266	0.4
103.05477	6.2
104.03457	0.6
105.03410	0.4
115.05499	0.4
119.04942	1.4
120.08140	0.4
121.06513	100.0
122.06841	1.1
126.06651	1.4
135.04391	0.4
135.64857	0.4
138.09142	0.9
146.05952	1.9
147.04446	0.6
158.99757	0.5
164.07077	74.3
165.07411	0.8
178.08746	0.4
198.92355	0.4
206.08136	7.3
207.06601	0.7
224.07234	0.6
224.09224	6.8
224.12779	0.5
224.16498	1.0
238.70163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0918
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
53.03958	0.9
56.96565	4.3
57.03438	0.9
60.73948	0.7
62.06075	1.7
65.03957	1.0
67.05505	1.0
69.03421	1.6
69.07065	0.8
69.52491	1.2
69.52898	3.9
70.06588	1.2
70.85273	0.6
72.08151	0.8
72.93767	1.1
74.02444	0.8
75.45381	0.7
79.05508	3.6
81.03410	1.2
81.04530	1.9
81.07052	1.1
83.05006	1.1
84.04514	1.6
84.08139	0.8
85.02901	1.9
85.80293	0.7
88.03993	1.2
91.05470	5.7
92.04993	2.6
93.05786	1.3
93.06998	1.0
94.06565	1.1
95.04974	2.2
97.02890	1.7
98.97568	2.4
100.02534	0.9
101.00869	1.2
102.43431	0.8
103.05483	6.0
105.03452	0.9
105.07036	22.0
106.06564	10.5
107.04964	3.5
110.01262	0.9
110.06042	3.0
110.97572	0.8
115.05447	2.9
116.98624	1.1
117.05770	6.9
118.06577	1.1
119.01920	1.3
119.04933	2.0
119.07345	3.9
120.04462	11.0
120.08073	2.4
121.06513	4.9
123.04432	1.6
127.75085	0.8
130.06508	4.9
131.01929	1.3
131.04912	1.8
131.07295	0.8
132.08096	83.3
133.08815	1.1
134.09639	3.8
136.03934	2.9
136.07584	1.5
137.03003	0.8
137.04764	1.6
137.05989	2.2
137.26340	0.7
138.05515	5.0
145.03496	1.5
146.02322	3.8
147.04239	1.0
147.05164	1.2
150.02707	0.8
150.05513	9.0
150.09154	2.4
156.56223	0.8
158.97275	1.0
160.07587	1.7
162.05521	1.7
162.09033	0.7
163.04660	0.8
164.03406	5.0
164.07069	4.9
170.06619	1.0
175.03941	2.1
178.08640	100.0
179.08946	1.2
179.11784	1.2
180.10149	0.8
185.02458	1.0
186.02039	1.6
201.00691	1.2
201.02426	1.6
202.22699	0.8
206.04695	1.0
206.08018	3.5
206.11900	0.9
207.06459	1.8
218.94417	1.0
224.09195	38.0
224.12849	3.4
225.12343	1.1
226.04340	3.3
227.03839	1.0
236.95493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0556
Annotation	N-Malonylanthranilate
Peak:m/z	Relative Intensity
52.99306	2.2
53.03947	7.2
55.01896	2.0
56.96576	4.7
65.03943	15.8
66.78945	2.1
67.05504	2.4
69.03429	3.8
70.14210	8.9
71.04998	3.1
79.05490	5.7
81.03404	3.0
81.07046	3.6
81.34408	2.3
83.04969	2.3
84.04519	22.9
84.08155	4.0
85.02936	2.8
85.04844	10.0
85.49815	2.2
86.84837	1.9
86.85373	2.2
87.00839	10.1
90.03446	8.7
91.05480	10.4
92.05003	9.3
92.05805	3.6
93.07043	7.4
94.06586	29.8
95.01365	3.0
95.04968	9.7
95.06927	16.5
98.20914	3.3
98.97601	10.7
103.05450	4.4
105.07027	4.2
107.04971	6.5
108.04478	15.3
108.08162	3.5
108.08879	3.1
110.06060	3.4
118.07335	3.4
119.04982	4.4
120.04477	84.6
120.05334	5.3
121.02872	4.3
121.06511	33.4
122.06024	2.4
122.06888	3.6
126.06647	5.6
130.04996	6.3
130.29887	2.2
131.05330	5.8
132.08063	2.9
133.10130	2.5
134.10510	3.5
135.04424	3.3
136.03938	54.7
138.05511	76.4
144.04453	5.4
146.02385	97.9
146.03482	6.0
147.04393	2.3
149.03487	10.5
150.02701	2.4
150.09120	6.5
158.99738	3.6
162.05513	29.7
163.03905	6.3
164.03438	100.0
164.07048	22.2
165.09155	2.2
175.03868	4.3
175.56285	2.5
178.08606	5.5
179.07042	2.3
182.08162	2.3
188.03436	12.1
189.05437	3.6
193.04921	3.2
206.04523	19.9
206.08087	16.8
206.12497	3.5
207.06598	5.7
207.08459	6.7
224.05469	11.5
224.09093	19.8
224.13499	23.2
224.16478	4.3
226.04349	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	223.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61478	8.1
69.58678	48.2
72.05580	10.4
77.42925	8.5
79.15324	11.4
86.96132	8.3
94.28494	10.7
94.93018	50.5
163.95158	10.7
205.96272	17.0
223.97237	100.0
223.99161	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	224.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51659	0.9
56.96553	1.5
57.03434	2.3
58.99557	1.1
58.99863	22.0
60.98679	1.1
67.05492	3.2
68.05009	2.1
68.65894	1.2
69.03416	4.2
70.46898	1.0
70.99844	1.6
71.04977	1.1
71.50840	2.2
72.08159	1.1
73.02915	2.6
77.00892	6.9
82.01441	27.0
84.08134	3.0
85.02904	2.3
91.02441	1.3
91.05443	1.1
98.97553	1.3
100.02480	44.4
101.00884	12.2
101.02502	1.7
103.02438	1.7
109.01412	1.5
109.02924	1.3
111.02915	5.6
112.05032	2.2
112.07578	1.5
113.00867	1.7
118.03530	13.0
119.01922	15.8
120.04445	1.6
124.02457	2.0
125.02641	1.7
127.02418	18.0
129.03973	26.9
131.01872	6.6
131.02740	1.1
133.03468	2.2
136.03917	2.2
137.02914	3.2
139.02377	3.3
141.00284	1.2
142.03505	6.4
145.03458	100.0
146.03549	1.2
147.03912	1.8
147.05020	27.4
150.03999	4.0
152.05592	11.9
153.00322	1.3
154.03413	2.1
155.01875	4.4
155.03586	1.2
156.05078	1.8
157.03485	11.3
158.96027	1.3
158.97141	4.9
159.01352	2.6
159.05048	1.5
160.01443	1.3
160.04544	1.9
161.02980	2.6
162.04007	1.6
163.04521	43.9
164.07007	1.7
165.00375	1.1
165.06142	6.0
168.05064	66.0
169.03490	1.4
170.06624	32.7
171.01398	2.4
173.02980	7.5
175.04506	3.3
176.98335	2.9
177.00937	4.0
178.08569	1.4
180.05051	24.8
183.01422	7.5
183.02855	1.5
184.04547	2.9
186.06120	18.4
187.00760	1.4
188.07709	9.5
191.04005	30.3
192.04141	1.5
196.04578	27.8
198.06104	6.9
200.04028	1.7
201.00952	1.2
201.02419	18.9
201.04205	3.3
201.06056	1.4
206.02908	1.6
209.05096	5.0
214.05592	34.1
216.07283	1.6
218.94365	1.2
218.99594	1.7
219.01866	5.2
219.03667	12.2
224.04025	11.2
224.07448	1.6
224.09312	1.4
232.06645	3.0
242.05141	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	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03931	1.3
53.06142	0.6
55.01862	2.1
55.05500	2.1
56.05024	1.9
56.96568	2.9
57.03429	0.9
57.07063	2.0
59.02390	0.5
59.57678	0.5
60.91262	0.5
65.03933	1.3
67.05506	3.8
68.66116	0.5
69.03419	2.5
69.07053	1.6
70.06593	1.2
71.04996	1.2
71.50584	0.6
77.58706	0.5
79.05499	5.0
81.03401	0.9
81.07062	7.9
83.01339	1.7
83.02115	0.5
83.04971	2.5
83.08604	0.6
84.04510	42.1
85.02911	5.6
85.06546	0.9
91.05484	8.6
93.07050	8.8
94.06572	39.4
95.01308	0.7
95.04986	3.8
95.06893	0.7
95.08615	3.9
97.02890	2.1
97.06519	1.3
98.97586	16.3
98.98345	0.7
98.98492	0.7
99.04457	1.5
101.02382	3.0
102.05538	0.6
103.05448	1.4
105.04518	0.8
105.07034	8.7
107.04935	2.0
107.08589	9.7
109.02861	0.6
109.06496	2.7
109.10199	2.7
110.62775	0.6
110.97561	0.9
111.00774	1.2
111.04453	3.0
111.08066	1.7
115.05457	1.3
116.06244	0.6
116.98637	5.7
117.07035	5.5
119.04924	0.9
119.08589	6.6
119.41356	0.5
120.04503	2.6
121.02830	1.6
121.06509	7.8
121.10148	6.3
122.06821	1.2
123.04462	3.6
123.08083	3.3
123.11681	2.4
125.06030	2.6
125.06975	0.5
128.98616	0.6
129.06996	1.8
130.05013	13.7
131.04961	0.9
131.08591	5.6
133.06468	1.8
133.10136	7.0
134.99628	1.7
135.04388	1.5
135.08054	4.6
135.11664	2.3
136.03880	0.8
137.05983	0.8
137.09584	1.2
138.05472	0.9
139.03915	0.7
139.07550	9.0
141.03084	0.7
141.09152	0.7
143.08537	1.5
144.05699	1.8
144.09308	1.1
145.06476	2.4
145.10110	3.3
146.02336	1.7
147.08061	2.1
147.11690	2.6
149.02345	7.1
149.05992	4.2
149.09647	2.6
149.13284	1.5
151.07532	2.1
153.01854	0.9
153.05420	0.8
157.10173	0.9
158.99664	4.6
159.08086	3.3
159.11728	4.6
160.07596	0.6
161.05971	1.1
161.09625	1.6
163.03944	1.6
163.07549	4.3
163.11183	1.9
164.03375	2.1
164.04674	0.7
164.07098	1.6
165.09126	1.8
167.07098	1.3
173.13232	1.7
175.07506	1.1
175.11096	0.7
176.11931	0.6
177.00716	5.6
177.05496	8.9
177.08969	2.5
177.12675	2.7
178.08644	0.6
179.07039	1.5
179.10669	16.0
187.07515	1.5
187.11192	1.1
190.09895	1.1
192.07455	0.5
193.10493	0.7
205.08510	3.9
205.12218	17.9
206.08125	6.5
209.01149	0.8
214.08585	0.7
223.06023	4.8
223.09531	3.6
223.13287	100.0
224.09045	1.0
224.13634	2.4
225.04312	7.2
227.02216	2.4
237.02797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1078
Annotation	N5-Phenyl-L-glutamine
Peak:m/z	Relative Intensity
53.03954	2.3
55.01873	1.0
55.05519	2.0
56.05038	3.6
56.96563	3.4
57.03444	1.7
57.07082	1.0
65.03947	1.5
66.13784	0.6
67.05524	3.1
69.03441	2.7
69.07068	1.5
70.06596	0.7
71.04997	1.0
71.50510	0.7
73.02921	0.7
79.05487	3.4
81.03439	1.1
81.07057	7.2
83.01347	1.0
83.04984	2.1
84.04510	94.9
85.02914	5.3
85.06568	0.8
91.05475	8.0
92.15600	0.6
93.07049	5.6
94.06573	100.0
95.04982	4.7
95.06924	0.6
95.08614	5.7
97.02887	1.6
97.06540	1.0
98.97593	11.6
98.98242	0.8
98.98493	0.6
99.04431	1.1
101.02377	2.0
102.05536	2.4
103.05486	1.2
105.04550	0.7
105.07033	5.0
107.04971	2.6
107.08602	4.9
109.06526	2.0
109.10155	1.3
110.97518	0.7
111.00801	0.9
111.04492	1.5
111.08094	1.6
115.05435	1.2
116.98633	5.3
117.07044	3.0
119.04942	2.2
119.08578	3.0
120.04482	4.3
121.02865	1.6
121.06501	7.4
121.10142	4.7
122.06873	2.6
123.04433	1.8
123.08067	2.9
123.11720	1.5
125.05995	1.8
125.07005	0.7
125.09586	0.8
128.02370	0.7
129.07021	0.9
130.05013	37.6
130.07729	1.0
131.04919	0.9
131.08578	3.0
132.08167	0.6
133.06482	0.9
133.10168	4.2
134.99683	1.4
135.04430	0.7
135.08081	2.7
135.11684	1.5
136.03937	2.4
136.05225	1.8
137.04643	1.2
137.05927	1.4
138.05490	2.0
139.03931	1.2
139.07507	5.3
141.06924	0.8
141.09097	1.2
144.05725	0.8
144.09358	1.1
145.06499	1.8
145.10141	1.8
146.02347	3.5
147.08040	1.2
147.11699	1.4
149.02356	7.3
149.05980	2.7
149.09618	1.6
149.13232	0.6
150.09177	0.6
151.07591	2.8
151.09477	1.9
157.10123	1.0
158.99693	4.0
159.08073	2.4
159.09242	1.0
159.11717	2.2
160.07536	1.1
161.05937	1.2
161.09680	0.8
162.05475	0.8
163.03929	1.4
163.07593	3.1
163.11166	1.5
164.03406	4.2
164.07082	1.1
165.09082	0.8
167.07083	1.4
167.08463	0.7
173.02365	0.6
173.13156	0.9
175.07584	0.6
177.00691	3.5
177.05476	7.4
177.09102	1.7
177.10300	1.8
177.12746	1.6
179.07079	6.6
179.10664	8.3
181.12196	1.1
184.07463	0.7
187.07596	1.4
190.09840	0.8
193.10658	0.6
205.05042	0.9
205.08522	3.3
205.12167	8.0
206.04677	0.7
206.08133	17.3
209.01227	1.3
223.05997	4.8
223.11198	4.0
223.13277	50.3
223.16852	1.3
225.04312	12.0
227.02209	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03951	2.1
53.16062	1.1
55.01855	1.8
55.05506	2.3
56.96554	2.9
57.03437	1.2
58.20554	0.9
65.03938	1.3
67.05492	2.6
69.03437	2.8
69.07066	1.7
70.06580	2.6
71.05001	1.8
71.50393	1.4
79.05499	5.2
81.03432	2.5
81.07065	3.7
83.04972	2.5
83.08636	1.3
84.04510	5.2
85.02882	1.7
91.05476	20.1
93.07031	6.4
93.54637	1.2
94.06573	4.7
95.04965	4.9
95.08608	1.7
97.02915	2.3
97.06546	1.8
98.97591	2.8
98.98471	1.4
103.05458	5.8
104.05818	1.1
105.04567	1.3
105.07014	6.2
106.04170	6.8
107.04946	8.1
107.08598	4.3
108.05731	1.5
109.02861	1.3
109.06520	3.2
111.00838	3.0
111.04419	2.2
115.05460	5.1
116.06236	3.6
117.07014	13.5
119.04939	4.8
119.08596	4.6
121.02882	2.6
121.06513	32.4
121.10162	2.2
123.04437	2.3
123.08054	2.4
124.16648	1.1
125.06040	1.2
125.07098	1.4
126.82339	1.1
128.06252	1.4
129.07011	3.8
130.05003	1.1
131.04933	4.0
131.08577	3.5
133.06522	5.2
133.10117	2.2
134.03638	1.5
134.07227	2.5
135.04405	4.0
135.08072	7.8
135.11647	1.3
137.05972	3.0
139.03902	2.8
139.07468	1.3
139.76305	1.1
144.05705	18.1
145.06477	10.7
145.10159	1.3
146.07253	2.5
147.04407	3.7
147.08018	2.8
149.02309	12.6
149.05981	18.1
149.09621	12.9
151.07558	4.6
154.07521	1.1
155.06049	2.6
159.08058	33.3
159.11655	1.6
161.05984	2.9
161.09683	2.6
162.03134	3.7
163.03949	5.1
163.07481	5.2
163.11172	1.5
164.04613	2.8
164.07002	2.2
164.10568	1.1
165.55524	1.0
167.07033	2.4
173.06042	3.1
175.07533	1.1
177.05475	100.0
177.09021	15.3
179.07092	5.5
187.07542	17.5
187.11247	1.6
190.06259	1.4
195.06525	1.8
205.08598	36.4
205.12119	2.3
209.01201	2.7
223.06042	11.4
223.09558	17.6
223.11328	2.5
223.13397	7.9
223.16843	1.5
224.09196	1.5
225.04276	15.8
227.02219	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	221.993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.06587	0.8
60.08168	5.2
61.02922	1.1
61.75572	0.8
63.04584	0.7
68.05027	0.9
70.89607	1.7
70.89972	1.1
71.07384	1.8
80.05029	1.0
81.03392	0.7
84.04544	0.8
84.08133	1.4
85.08463	0.8
86.09711	13.6
86.10188	1.3
93.00089	0.7
94.93024	6.4
102.00930	0.8
104.05447	0.8
104.10752	100.0
105.11066	8.4
137.80138	0.8
156.97472	4.0
159.03214	0.7
162.94565	2.2
162.95741	4.7
174.98582	1.9
176.09271	1.3
178.15791	0.7
179.88132	0.8
199.04488	1.3
216.99696	1.0
221.99364	9.9
222.02095	18.5
222.09813	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	222.1127
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.40924	0.4
56.96564	0.7
64.48660	0.6
65.03949	0.9
67.05500	0.6
69.03417	0.5
69.78069	1.8
69.78487	0.8
70.05354	0.4
70.06577	1.1
73.27475	0.4
74.89131	0.6
76.50007	0.5
77.03976	0.5
79.05486	1.5
80.05017	0.7
81.07035	0.9
91.05475	3.1
93.07035	1.8
95.04979	0.6
98.97550	0.5
99.00665	0.5
103.05462	1.5
105.07011	1.4
106.06551	0.9
107.04988	0.6
108.72475	0.5
115.05460	0.5
116.04930	0.6
117.03316	0.5
117.05753	2.2
117.07018	1.7
118.06548	5.0
118.83569	0.5
119.07342	3.2
119.08582	0.9
120.08076	0.5
121.06516	20.6
121.07390	1.2
130.06511	2.1
131.04921	1.4
131.07320	1.5
132.04431	0.6
132.08080	1.6
134.06000	0.9
134.09659	11.0
134.10666	0.6
135.04408	0.8
136.07622	0.6
144.08096	10.5
145.01392	0.6
145.02785	0.6
145.08885	3.8
146.09636	1.9
147.10422	0.7
148.03964	1.4
148.07535	0.6
149.02351	0.6
149.05981	1.2
150.09152	6.6
158.05998	1.0
158.09691	0.5
160.11235	43.7
161.11597	0.6
162.05429	1.1
163.03973	2.9
163.07495	0.9
164.10649	0.5
174.09163	29.0
175.09471	0.6
176.07074	4.9
176.10706	1.6
177.05544	0.6
177.07838	1.3
178.12283	1.2
188.07237	0.6
192.10208	42.9
193.10591	0.7
194.04358	1.2
198.96875	1.0
204.10220	5.0
216.97906	0.7
222.07712	2.8
222.11264	100.0
222.14882	2.9
223.05963	0.7
223.11534	1.4
225.04338	1.8
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
53.00320	1.4
53.03946	2.2
55.05513	11.1
57.07062	4.0
59.04991	1.9
67.05509	10.4
69.07068	10.4
71.04994	19.0
71.07172	2.4
79.05498	13.9
81.07063	52.8
83.04978	3.2
83.08613	4.9
85.06539	1.6
91.05497	9.8
93.07048	30.0
93.09705	1.3
95.04981	2.8
95.08614	30.5
97.06517	1.6
97.10197	2.7
97.80029	1.4
99.08083	2.8
105.07036	22.7
107.08603	62.8
109.06506	2.9
109.10157	20.4
111.08080	3.2
113.09655	3.0
115.05460	1.7
119.08591	33.1
121.06525	1.9
121.10172	9.9
123.08083	2.7
123.11702	19.2
125.09618	2.7
127.11185	4.7
133.10146	24.3
135.11697	100.0
137.09647	2.9
137.13242	5.2
139.11179	2.1
145.10088	2.3
147.11699	21.4
149.13240	6.8
151.11179	4.3
158.11444	1.4
161.13246	12.9
161.27278	1.6
163.14815	6.2
165.12747	2.5
175.14827	4.0
175.18102	1.3
175.32312	1.5
177.16327	2.1
193.19614	1.5
194.25133	1.2
203.17966	33.2
214.18802	1.4
221.04303	1.3
221.15503	2.9
221.19023	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.11801	1.1
52.13413	1.0
53.00299	1.4
53.03931	3.6
55.05509	13.7
57.07063	5.2
59.04992	1.6
59.39961	1.1
65.11582	1.1
67.05507	12.0
69.07070	14.5
70.06591	1.7
70.15427	4.1
71.04643	2.0
71.04998	19.0
79.05492	19.9
79.05920	2.2
81.07059	67.0
81.34187	1.2
83.04988	2.3
83.08624	6.7
85.06557	1.6
91.05483	14.5
93.06486	2.5
93.07049	42.3
95.04978	4.2
95.08612	37.2
97.06526	4.2
97.10151	2.9
98.97589	1.8
99.08098	5.2
105.07034	28.9
107.04955	1.7
107.08595	70.2
109.06512	2.6
109.10155	28.2
111.08076	5.7
111.11731	2.5
113.09582	1.9
119.06093	1.3
119.08586	42.0
121.06510	2.0
121.10144	12.4
123.08061	5.3
123.11716	17.8
124.07589	3.7
125.09621	2.2
127.11204	5.5
131.08553	2.5
133.10129	24.4
135.11694	100.0
136.12054	1.4
137.09641	5.6
137.13251	4.6
139.11223	1.7
145.10104	2.5
147.11684	24.8
149.02460	1.5
149.13251	10.6
151.03845	1.5
151.11212	4.1
161.13269	13.2
163.14880	7.0
165.12776	2.6
175.07710	1.4
175.14845	4.9
177.09186	1.8
177.16344	3.0
203.17960	42.1
221.08035	1.5
221.15442	3.8
221.19034	55.6
222.14938	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.07188	1.3
53.00303	1.5
53.03942	2.4
55.01894	1.5
55.05510	13.3
57.07086	7.2
59.26997	1.6
61.50321	1.5
67.05508	28.8
69.06743	1.6
69.07074	23.1
70.64478	3.9
71.04994	9.7
73.06557	1.8
79.05498	15.4
81.07065	65.7
83.05006	1.7
83.08621	10.1
85.06532	2.8
91.05479	16.9
93.07048	43.7
93.07636	2.7
95.04955	1.7
95.08614	100.0
97.06536	4.6
97.10181	4.1
105.07039	37.6
105.07578	0.9
105.26117	1.5
107.08607	47.0
109.06537	1.8
109.09480	2.6
109.10172	41.3
111.08075	3.7
111.11714	2.3
113.09654	1.5
113.50261	1.6
114.20512	1.6
117.07014	1.8
119.08592	36.7
121.06558	3.9
121.09326	2.0
121.10155	23.4
123.04504	1.6
123.08071	3.8
123.11707	16.8
125.09668	3.3
127.11179	2.8
129.06927	1.7
131.08571	2.7
133.10159	28.6
134.76344	1.3
135.08051	1.5
135.11705	47.9
137.09576	3.4
137.13271	5.1
139.11128	2.2
140.01819	1.4
145.10155	3.3
147.08073	2.0
147.11702	44.2
149.13293	8.5
151.03899	1.8
151.11188	4.2
161.06009	2.2
161.13272	15.8
163.14838	7.1
165.12776	9.4
175.14787	5.2
177.09114	3.6
177.12781	3.7
177.16345	1.6
193.08699	1.7
203.17976	39.7
206.16168	3.7
221.04401	1.7
221.08206	2.4
221.11801	1.7
221.15428	5.3
221.19028	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	6.3
55.01860	4.2
55.05521	16.7
57.03444	4.8
57.07058	6.1
57.64902	2.2
59.09840	2.5
66.45219	3.3
67.05505	26.1
68.06163	2.4
69.03406	4.7
69.07065	20.0
70.06580	2.0
71.04989	27.5
71.08571	2.0
73.50549	2.1
76.37744	2.4
79.05491	24.7
79.49246	2.2
81.03413	4.4
81.07059	100.0
83.04986	4.5
83.08616	9.2
91.05481	23.3
93.07050	51.5
95.04966	4.5
95.08070	3.9
95.08614	56.5
97.06500	6.4
97.10159	3.7
99.08100	3.7
103.05412	2.7
105.07039	59.4
107.04985	3.5
107.08595	63.6
108.09008	2.3
109.06511	7.2
109.10164	38.4
111.08064	8.6
111.11731	4.2
117.07043	4.0
119.04969	2.5
119.08585	72.6
119.09467	3.6
121.06535	15.7
121.07243	2.7
121.10153	23.3
123.04427	2.7
123.08095	12.0
123.11710	17.3
125.09663	4.6
127.11238	5.9
129.05167	2.2
131.08546	3.0
133.06505	7.2
133.10144	31.7
135.08073	5.8
135.11697	65.5
137.06001	5.1
137.09599	6.5
137.13283	4.0
145.10101	5.3
147.04424	2.7
147.08040	4.0
147.11694	44.8
149.13289	18.6
151.03957	4.7
151.11176	4.3
161.05984	8.8
161.09613	5.8
161.13269	21.5
163.11192	2.9
163.14845	24.3
165.12782	5.5
175.11172	4.1
175.14774	11.1
177.09160	11.0
177.12770	19.1
177.16301	3.0
179.03412	2.4
179.10817	3.2
179.14348	3.7
193.08569	5.6
193.15880	4.4
203.07060	4.2
203.10666	2.8
203.14314	5.1
203.17958	48.6
206.16359	5.9
208.10527	2.7
221.04291	6.1
221.07999	8.2
221.11700	4.5
221.15564	19.0
221.19002	81.2
222.11205	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	221.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61302	0.3
57.03427	0.6
58.06585	0.7
58.92073	0.3
60.08170	4.6
61.02919	1.1
68.43266	0.3
71.27245	0.3
84.08144	0.7
86.09703	0.9
94.06546	0.5
94.85141	0.3
98.21516	0.8
101.00874	0.4
104.10748	100.0
105.11086	0.6
110.38223	0.3
119.01921	0.6
131.01924	0.4
135.03285	0.3
145.03491	0.3
146.91760	0.3
162.94603	0.5
163.02776	0.3
175.04524	0.4
192.25542	0.4
221.06944	0.7
221.99318	0.7
222.02028	2.2
231.95352	0.3
235.06610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.07070	0.3
60.18919	0.2
64.32433	0.2
67.05486	0.5
71.30128	0.3
72.53288	0.2
72.58037	0.2
73.02929	1.6
79.05480	0.5
81.07051	0.6
85.06518	0.2
87.04453	0.9
91.05453	1.6
93.07039	0.5
95.04975	0.2
95.08607	0.5
103.05482	0.4
105.03399	0.2
105.07020	0.8
106.07815	0.2
107.08604	0.3
109.10163	0.4
111.08058	0.6
115.05472	1.3
116.06218	0.7
117.07033	4.6
119.04919	0.6
119.08591	0.6
121.06520	1.1
123.04412	0.3
128.06206	1.2
129.06987	0.2
130.06502	0.4
131.04930	0.4
132.04405	0.4
133.06494	1.2
133.10130	0.5
134.07312	1.1
135.08038	0.8
135.11633	0.3
143.08514	1.1
144.05669	0.8
145.06491	1.0
147.04471	0.4
147.08057	1.0
149.09637	0.3
151.07536	0.5
155.08704	0.2
157.07648	0.3
158.06021	0.7
160.05238	0.6
161.05972	3.1
161.09682	0.2
161.13307	0.3
162.05482	0.5
162.06764	6.1
165.09145	0.2
171.08081	0.7
173.06094	0.2
175.07510	3.2
175.08665	0.3
175.14781	0.3
177.09116	100.0
178.09465	1.5
179.07037	0.8
193.78662	0.3
203.07156	0.5
203.10675	0.7
203.14104	0.2
203.18127	0.3
206.16252	0.6
221.04504	0.6
221.08153	0.8
221.11800	0.6
221.15346	0.2
221.19196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21237	0.2
55.01871	0.3
55.05497	1.0
57.03431	0.3
67.05489	1.0
69.07053	0.7
70.09800	0.9
75.06084	0.2
79.05497	1.4
81.03398	0.3
81.07068	1.3
83.04987	0.4
85.02889	0.3
91.05465	1.7
93.07038	0.9
95.04965	0.4
95.08621	0.8
98.97565	0.4
103.05444	0.4
105.07040	2.3
107.04945	0.7
107.08582	0.9
108.08148	0.2
109.06528	0.5
109.10147	0.7
111.08084	0.8
115.05455	1.8
116.06236	0.6
117.07029	4.9
119.04937	0.5
119.08579	1.6
120.28590	0.2
121.02880	0.3
121.06535	1.2
121.10143	0.6
123.04463	0.4
123.07999	0.5
123.11708	0.3
128.06236	1.8
129.06999	0.5
130.06523	1.0
131.04976	0.5
131.08609	0.6
132.05713	0.4
133.06537	1.2
133.10181	1.2
134.07274	1.3
135.04445	0.3
135.08076	1.2
135.11703	0.7
137.06030	0.8
137.09627	1.0
141.07043	0.3
142.07784	0.3
143.08585	2.2
144.05702	0.6
145.06506	1.4
145.10071	0.4
147.04404	0.8
147.08124	0.5
147.11697	0.7
149.02347	2.6
149.09651	0.4
151.03908	0.3
151.07556	0.5
155.05949	0.2
157.06474	0.2
157.07607	0.4
157.10120	0.4
158.06035	1.1
159.08087	0.5
160.05263	0.5
161.05963	1.6
161.09656	0.7
161.13283	0.4
162.06773	6.1
163.07304	0.2
165.05511	0.3
165.09073	0.4
171.08051	1.7
174.06750	0.5
175.07494	3.6
175.08754	0.6
175.11198	0.6
175.14839	0.9
176.07269	0.2
177.09119	100.0
178.09424	1.4
179.07091	0.4
188.08339	0.8
189.09190	0.4
191.09781	0.4
193.08574	0.5
203.06985	0.5
203.10727	2.6
203.14267	0.6
206.16212	0.8
215.02309	0.3
221.04442	0.6
221.07863	1.1
221.11751	1.5
221.15408	0.8
221.18542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
63.26503	0.1
69.62777	0.7
69.73113	0.1
91.05485	0.2
92.60358	0.1
117.07034	0.1
118.06545	9.7
119.07324	0.2
130.06529	0.1
132.08086	2.7
133.08871	1.4
134.09651	0.9
144.08160	0.2
145.08916	0.2
146.09639	3.2
147.10480	0.3
148.11250	0.3
151.03922	0.1
152.04250	0.2
157.06520	0.1
160.11244	0.4
161.12024	0.2
162.09140	6.2
174.12798	0.1
176.10777	3.8
176.14352	26.6
177.11494	1.3
177.14687	0.4
189.15079	0.4
190.12260	3.1
191.12985	0.2
202.15926	0.8
204.13762	0.2
205.15930	0.2
220.16966	100.0
221.15274	0.2
221.17351	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.91892	0.6
51.05494	0.6
60.32624	0.6
62.59067	0.7
67.05501	0.7
69.03418	1.1
69.84538	3.4
72.86997	0.7
81.07070	0.7
82.02932	1.6
90.05560	0.9
94.06566	4.4
96.04473	1.4
97.02883	1.1
98.97598	0.9
103.05426	1.0
107.04970	0.8
107.08616	0.7
111.08030	1.1
113.00896	0.7
115.05465	0.9
119.01928	1.7
120.08092	1.0
121.01688	0.9
121.06502	1.3
124.03914	0.7
130.06535	71.6
131.06860	1.0
132.04463	40.8
143.15646	0.8
147.09180	0.7
147.57088	0.6
148.07574	2.3
156.97543	1.6
157.07623	34.7
158.06024	78.2
159.06319	1.8
162.05504	0.8
174.98541	0.6
175.08685	100.0
176.07053	1.7
176.08902	1.9
186.05507	2.4
197.03075	0.7
198.00946	0.6
198.02454	3.4
203.03970	0.7
203.08185	12.7
203.11028	0.8
204.06619	3.6
204.08289	0.6
221.04395	0.9
221.07161	1.3
221.09253	18.8
221.12294	1.1
221.81175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95149	0.2
67.05502	0.2
69.95727	1.0
106.06564	0.2
109.02946	0.2
118.06550	10.2
119.07381	0.4
123.04498	0.2
124.04841	0.2
132.08084	2.8
133.08858	1.0
134.09642	0.6
145.08856	0.2
146.09631	3.0
147.10422	0.3
148.11290	0.3
149.05980	0.2
151.03912	4.0
152.04262	6.8
160.11238	0.6
162.09154	7.6
176.10855	2.0
176.14357	27.1
177.11488	0.5
177.14676	0.8
178.05835	0.6
189.15152	0.2
190.12280	3.0
202.09381	0.3
202.15938	0.8
205.15845	0.9
220.10822	2.0
220.16974	100.0
221.17303	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	220.1333
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.05500	1.0
56.05027	0.9
57.03434	0.5
57.07065	1.5
60.08146	0.8
67.05510	0.8
69.03436	0.6
69.07053	0.9
69.48676	1.6
69.49084	1.9
70.06583	1.5
73.38652	0.5
73.58083	0.5
79.05508	1.5
81.07051	2.2
84.08134	0.6
86.06110	0.5
86.09706	1.1
87.04472	64.5
90.05547	1.7
91.05460	3.0
93.07052	1.2
95.04984	0.7
105.03396	10.3
105.07021	1.6
107.04926	0.7
107.08619	0.6
114.05569	0.7
115.05447	1.0
117.07044	1.3
118.06538	7.8
119.07336	7.0
119.08604	1.1
121.06497	1.8
129.07101	0.6
131.08496	0.6
132.08093	0.8
134.09657	100.0
135.10031	0.6
136.06169	1.9
145.10123	1.2
146.06007	0.9
160.03279	0.8
161.05969	2.8
164.10785	0.5
174.05492	0.7
174.09148	1.0
175.07480	0.6
177.09116	1.8
177.12761	1.5
179.07022	0.6
184.09593	0.5
192.06592	0.8
192.10217	0.6
202.08801	0.6
202.10738	0.8
202.18025	3.7
203.07239	0.6
204.14717	2.7
205.07393	0.5
205.15894	13.9
205.17876	0.8
212.58859	0.5
218.85870	0.6
220.06107	1.8
220.09793	3.7
220.13351	72.6
220.17583	9.6
221.04549	0.7
221.07985	0.8
221.13687	1.0
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	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01864	1.5
57.07082	7.1
59.05007	5.5
62.44592	0.7
67.05513	6.0
69.07082	4.4
69.19478	8.3
69.19888	1.7
70.02956	8.3
72.04523	15.4
73.02917	3.7
74.02452	1.5
81.07077	0.8
82.71638	0.7
83.04987	1.6
85.06549	10.0
86.09708	1.9
87.08103	2.2
87.64433	0.8
90.05561	100.0
95.04990	8.4
96.08134	2.0
98.02425	16.3
98.20793	1.8
100.03977	2.4
103.07590	9.6
113.06018	3.6
116.03468	13.3
124.07604	17.4
130.08623	1.2
142.08643	7.2
158.11780	1.4
160.09650	2.6
166.08665	2.5
174.11229	2.3
184.09705	20.8
193.73166	0.8
202.10760	27.9
220.06079	1.0
220.09657	1.3
220.11810	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	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01882	1.1
57.03442	2.0
57.07082	6.3
59.05010	4.7
60.81501	0.8
61.02919	2.8
65.03938	1.2
67.05505	7.4
69.03431	1.4
69.07078	5.9
70.02960	9.3
71.05009	1.0
71.50560	1.2
72.04517	15.2
73.02919	5.2
74.02448	2.1
82.06569	1.5
83.04980	1.9
84.04501	2.4
84.08131	3.7
85.02917	1.1
85.04858	0.9
85.06555	11.0
85.08507	0.8
86.09706	2.2
87.08122	1.1
90.05559	100.0
95.04978	7.9
96.04485	1.1
96.08115	2.3
98.01827	1.5
98.02424	18.4
98.06067	0.8
100.02490	1.3
100.03961	2.6
101.00882	2.3
102.00982	0.9
103.07581	9.5
110.06036	12.6
113.06011	2.9
116.03447	15.6
116.04271	0.9
119.01936	1.8
120.02032	0.9
124.07597	18.4
128.03416	1.6
128.07117	3.8
131.07031	1.0
133.03296	1.0
134.03581	0.9
138.05505	2.5
142.04977	1.7
142.08661	7.9
156.06540	16.6
156.10236	1.9
160.06203	0.8
160.09673	1.4
166.08713	2.2
173.96034	0.8
174.11296	2.5
184.06067	16.3
184.09686	18.9
202.07210	1.2
202.10739	27.8
203.11111	1.1
205.15895	3.0
215.03857	0.9
220.08286	1.8
220.11803	26.3
220.17940	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
52.95914	1.0
53.03962	0.9
55.05513	6.3
57.03434	1.0
57.07065	2.3
59.04982	3.2
65.03931	1.2
67.05509	7.3
69.03440	1.6
69.07073	26.5
69.55535	2.8
69.55943	4.2
71.05000	2.4
76.75394	0.9
79.05484	5.0
81.07059	10.5
83.08611	3.4
83.15841	0.9
85.06541	2.9
91.05491	6.2
93.07041	12.9
95.04958	4.7
95.08611	18.9
97.06485	1.6
97.10142	1.8
98.20771	2.1
105.07030	15.4
107.08604	19.4
109.06528	4.0
109.09473	1.7
109.10161	21.4
111.08090	2.5
117.07018	4.4
119.07824	1.4
119.08602	19.3
121.06528	2.6
121.10149	17.4
123.08063	3.7
123.11732	4.9
123.21056	0.9
125.09631	2.7
130.07814	1.2
131.08585	5.4
133.10144	9.5
135.08058	3.5
135.11703	12.7
137.09637	9.4
145.10136	15.8
147.11676	6.3
149.09645	9.1
149.13225	3.6
151.11215	1.3
159.11707	8.8
161.13281	9.8
163.11194	15.4
163.14798	1.5
173.13281	3.2
175.14874	7.2
177.12752	3.9
177.16408	1.9
189.12709	1.4
191.17963	10.4
201.16393	16.7
203.14345	3.2
219.17450	100.0
220.17763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26117	0.4
55.38208	0.4
55.98278	0.4
56.64014	0.4
57.07074	0.5
59.05006	2.6
60.04530	36.3
64.93996	0.4
65.03929	0.7
69.88820	1.9
70.02959	11.9
78.01705	0.4
88.03999	10.7
90.05566	0.5
91.05488	26.6
92.05789	0.8
93.07059	0.5
98.20821	0.7
102.05549	100.0
103.05916	0.6
105.07037	0.8
115.05460	3.4
117.05775	1.0
117.07030	2.1
118.06552	19.1
119.06879	0.4
119.08585	0.5
119.82518	0.4
120.08889	0.4
121.06488	0.8
122.10468	0.5
132.08086	1.7
133.10103	0.4
134.10461	0.7
143.04921	1.5
144.08102	0.5
145.06491	6.1
145.10170	0.4
146.06015	60.1
147.06352	0.7
152.04221	0.9
155.06027	0.9
160.07590	5.6
161.05992	0.9
176.14291	0.4
188.07013	0.5
202.16745	0.5
204.14700	0.5
205.15877	5.0
220.09679	4.5
220.14003	0.5
220.17963	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1019
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
52.84756	0.4
53.03950	1.5
55.01875	2.3
55.05516	0.8
57.07077	0.5
64.19485	0.4
65.03941	0.9
67.05518	2.0
68.99801	2.1
69.03429	1.2
69.07070	1.7
69.29545	1.1
69.29967	2.4
77.03938	0.7
78.36520	0.4
79.01867	0.5
79.05491	3.1
81.03436	1.9
81.07063	2.4
89.06360	0.4
91.05495	2.2
93.07058	1.8
95.04984	4.2
95.08615	1.8
97.02911	0.4
97.06540	1.7
103.05486	1.0
105.03398	1.6
105.04501	0.5
105.07036	1.9
107.04974	1.6
107.08620	1.1
109.02894	2.6
109.06549	0.6
109.10155	1.9
114.02965	0.3
115.05507	0.6
117.07000	0.8
119.08606	0.9
121.06493	1.8
121.10184	1.4
122.69984	0.4
123.04444	9.9
123.08077	1.3
125.02367	1.3
127.03922	0.8
129.07011	1.6
130.07841	0.4
131.04956	1.0
131.08609	1.9
133.10159	1.0
135.04411	2.5
139.03893	0.4
141.07065	0.4
144.05702	0.4
145.06529	0.9
145.10136	1.4
147.08044	0.6
149.06015	4.0
149.09657	1.0
151.03918	100.0
152.04240	1.6
153.05493	0.8
155.08548	1.1
157.06474	1.2
158.07274	1.1
159.08084	1.3
159.11699	0.7
160.05244	0.7
161.06041	0.9
163.03914	1.7
163.07530	0.6
163.11201	0.4
165.05527	1.8
173.05978	0.4
173.09653	1.4
174.06804	1.4
175.07559	3.5
176.04756	0.4
176.14435	0.7
177.05499	6.3
177.09140	1.6
183.08092	0.5
186.06778	0.4
189.09125	1.5
191.07025	0.4
191.10695	1.9
201.09088	3.0
201.16362	0.7
203.12611	0.4
203.14320	1.7
219.10190	24.9
219.17442	7.0
220.17035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01883	1.6
55.05508	1.7
67.05505	3.4
67.43389	1.0
68.90916	1.2
69.03397	1.1
69.44279	8.3
71.05010	1.8
74.32819	1.1
77.03973	1.0
79.05494	2.3
81.03436	1.6
81.07061	4.2
85.04290	1.2
91.05498	11.6
93.07014	2.4
95.08609	2.9
103.05474	4.0
105.07011	5.5
107.04944	1.2
107.08602	2.4
109.10176	1.6
114.64552	1.1
115.05479	11.2
116.06248	2.4
117.07010	5.0
119.08558	4.9
121.10158	2.7
123.04430	1.8
128.06218	10.1
129.07014	43.0
130.07703	1.9
131.04958	8.4
131.08582	39.1
133.10115	7.0
133.82329	1.0
135.04381	1.3
137.05959	4.7
141.07007	33.0
143.04982	2.0
143.08546	3.8
144.05658	5.9
145.06476	6.9
145.10135	3.7
146.07257	4.7
147.04388	1.5
147.11639	1.7
151.03926	26.2
155.06030	2.3
157.06514	22.3
158.07285	21.9
159.04419	3.7
159.08072	25.3
159.11682	3.2
160.05199	6.4
161.09621	3.9
161.13309	1.5
163.07646	2.7
169.06491	13.0
169.07687	2.3
170.07303	7.4
173.05998	5.2
173.09630	2.4
173.13271	1.2
174.06781	74.5
175.07545	14.4
177.05472	3.4
177.09137	1.9
179.33215	1.2
186.06786	18.7
187.07419	1.7
188.08284	2.8
189.09131	95.7
190.09444	2.1
191.07076	2.4
191.10661	8.5
201.09117	39.9
201.16405	3.4
202.09511	1.5
203.14339	4.5
219.10184	100.0
219.17455	18.5
220.10536	3.3
220.65152	1.2
232.13130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
51.02384	0.4
53.03947	1.2
55.01877	1.7
55.05515	0.9
55.86207	0.3
57.07090	0.5
65.03931	0.7
67.05511	2.4
68.99791	2.4
69.03422	1.1
69.07073	0.4
69.14945	0.3
69.79385	1.8
71.01346	0.3
77.03931	0.7
79.05510	1.7
79.67062	0.3
80.47990	0.3
81.03407	1.7
81.07054	1.4
91.05482	1.6
93.07047	1.3
95.04965	3.7
95.08607	1.6
96.34843	0.3
97.02864	0.6
103.05459	1.1
105.03389	1.5
105.04524	0.4
105.07051	0.5
107.04936	1.6
107.08610	0.5
109.02882	3.9
109.06506	0.4
109.10151	1.6
111.73380	0.3
115.58907	0.3
117.07024	0.6
119.08570	0.5
121.06510	1.9
121.10150	0.4
122.68360	0.3
123.04436	5.3
123.08054	0.9
125.02354	1.1
125.07943	0.3
127.03943	0.6
129.07036	0.4
131.04971	0.6
131.08597	0.5
133.10133	1.0
135.04427	2.4
145.10126	0.6
146.89842	0.3
149.05988	2.8
149.09596	0.5
151.03908	100.0
152.04239	1.4
163.03915	2.0
165.05476	1.6
173.09610	0.5
174.06837	0.4
175.07553	1.0
176.04694	0.5
176.14377	0.7
177.05490	5.7
177.09084	0.7
191.10635	0.6
201.09079	1.2
203.14278	0.6
219.10176	17.3
219.17480	1.4
220.16942	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	219.1018
Annotation	Dihydroeuparin
Peak:m/z	Relative Intensity
55.01870	0.5
55.05508	0.4
57.03422	0.9
57.06837	0.3
57.07082	4.7
58.06589	0.4
58.07410	2.3
58.16610	0.3
69.07063	0.7
70.06600	8.6
70.66842	0.5
70.67168	0.4
71.05000	0.6
71.06292	0.5
71.06929	4.4
71.08633	2.6
72.08976	1.6
76.49622	0.3
79.05467	1.0
81.07054	1.1
88.07635	12.1
89.07961	5.7
91.05508	1.7
91.05947	0.3
95.04931	0.4
95.08547	0.3
97.06513	0.9
100.14656	0.3
100.56664	0.3
102.09180	3.0
103.05483	4.7
103.08902	0.4
103.09506	2.1
105.07065	1.9
106.08676	5.6
106.49580	0.3
107.04940	0.6
107.09051	2.3
115.05438	1.6
116.06235	0.4
117.07051	1.8
119.08573	0.5
121.06474	0.5
123.04453	6.2
127.85096	0.4
128.06216	0.8
129.07002	2.8
131.04933	9.9
131.08556	1.8
132.05638	0.4
133.06485	0.6
133.09984	0.3
135.04440	0.9
137.05984	0.5
143.04903	0.3
143.08571	0.8
144.05736	1.0
145.06502	3.0
145.10147	2.7
147.08018	0.5
148.05234	0.4
149.05992	12.7
151.03911	3.2
153.06961	0.4
155.08548	2.0
157.06490	3.0
158.07286	1.0
159.08052	1.4
160.05183	4.0
161.05989	6.4
163.03911	0.8
163.07585	0.8
171.08141	0.4
173.05977	1.4
173.09644	4.2
173.11063	0.5
175.07552	8.4
175.18781	0.6
176.07892	0.5
177.05499	0.8
177.09149	2.4
183.08047	1.4
186.06836	0.8
189.09132	3.4
190.06261	0.7
191.10693	7.6
201.09151	5.0
201.20448	7.6
203.14243	0.5
219.06905	0.4
219.10194	8.3
219.17380	2.7
219.21510	100.0
220.16951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.1
56.38122	1.1
57.21970	1.1
61.02929	23.7
70.22557	4.0
71.01359	43.3
75.04487	54.6
84.99262	1.4
87.04469	19.0
89.02392	9.2
101.06013	1.5
103.03949	64.3
110.97681	1.2
121.10165	1.1
131.03403	14.4
138.68774	1.2
145.78276	1.2
159.02904	100.0
187.02345	8.0
203.14291	4.1
203.46735	1.2
219.04967	8.9
219.17442	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.1
55.05527	1.6
61.02931	21.8
70.62115	1.8
70.62440	3.1
71.01358	42.2
75.04484	63.2
84.99284	1.7
85.02906	2.4
87.04470	25.7
89.02390	10.3
98.97580	1.3
101.38283	1.2
103.03950	71.6
131.03398	13.6
154.86290	1.2
159.02902	100.0
160.03300	1.3
187.02394	13.0
191.08850	1.4
203.14359	5.1
207.50122	1.3
219.05046	8.1
219.17458	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	219.1018
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
53.03944	1.5
53.21496	0.9
55.01860	2.4
55.05508	0.9
57.03445	0.8
60.04527	7.9
65.03941	1.2
67.05492	3.3
67.86453	0.7
68.99789	1.6
69.07058	1.0
70.02939	1.8
70.30272	2.3
70.30638	1.3
71.04997	1.1
79.05497	6.5
81.03418	2.1
81.07080	4.3
88.03986	2.9
90.13161	0.7
91.05488	17.6
91.06019	0.7
93.07047	3.0
95.04980	9.6
95.08594	3.2
98.21419	1.0
102.05553	24.2
103.05485	4.9
104.06251	3.3
105.03409	1.1
105.07032	6.5
107.04973	5.8
107.08606	3.7
109.02875	1.6
109.06572	1.4
109.10132	1.1
115.05470	10.9
116.06219	2.5
117.07030	8.1
118.06544	5.1
119.04961	0.8
119.08584	4.6
121.02850	3.2
121.06483	1.9
121.10154	3.2
123.04436	2.7
128.06229	5.7
129.07011	11.0
130.07782	1.8
131.04942	6.7
131.08585	11.1
132.05760	3.9
133.06505	1.8
133.10141	4.6
135.04448	8.5
137.06007	1.2
141.06999	8.3
143.08611	1.4
144.05714	2.3
145.02867	0.8
145.06483	5.6
145.10133	4.4
146.06042	13.0
146.07243	2.2
147.08054	5.8
147.11703	1.2
149.02324	1.5
149.05952	1.1
151.03909	19.4
157.06474	6.7
158.07320	5.0
159.04451	1.2
159.08104	6.2
159.11719	3.3
160.05209	6.3
160.07526	1.5
161.09785	1.7
161.13293	2.6
163.03932	17.1
163.07492	0.8
169.06482	3.0
170.07208	1.1
173.06013	2.3
173.09665	1.1
173.13284	2.1
174.06795	25.6
175.07555	26.0
175.14830	1.0
177.01822	2.3
177.05446	1.5
177.09070	1.5
186.06796	4.5
188.08354	1.3
189.09125	19.3
191.03415	25.0
191.07066	1.3
191.10706	2.0
195.02940	1.4
201.09126	10.1
201.16429	1.7
203.14345	5.3
219.02939	25.9
219.06599	2.6
219.10179	100.0
219.17448	21.0
220.10416	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	219.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05505	2.6
56.05025	1.1
56.96563	3.5
57.03424	4.8
58.99869	1.8
59.05000	2.2
59.78900	1.1
61.02923	4.7
67.05500	6.0
68.99789	1.7
69.03433	5.6
69.07065	3.3
69.86448	5.3
70.06570	3.0
70.99863	1.8
71.01355	20.3
71.04977	2.0
72.08150	3.6
72.99609	1.3
73.02924	5.9
75.04465	5.8
77.00898	1.5
80.73779	1.1
81.03413	4.7
82.01465	1.8
82.99840	6.0
83.04979	1.5
84.04512	2.5
84.08148	21.7
85.02916	7.2
85.06554	1.4
86.03683	2.2
86.09705	2.8
87.04452	1.4
89.00920	1.7
90.05550	4.2
90.09209	2.4
91.05495	2.2
93.07088	1.6
95.04958	1.1
97.02893	4.5
98.06046	1.2
98.97591	8.9
99.04463	1.3
100.02484	6.8
100.05245	1.6
101.00887	49.9
101.02386	2.3
102.00992	3.2
103.00639	10.4
103.02422	2.6
103.03947	7.2
105.02214	2.9
109.02906	3.1
111.00843	1.4
111.02979	1.2
113.00867	10.8
115.00652	1.8
115.02422	4.8
116.07084	2.3
116.98619	3.1
117.01897	2.8
118.03546	2.4
119.01927	100.0
119.08562	2.3
120.02026	2.6
121.01678	21.6
121.02463	1.8
121.10162	2.7
125.02621	1.2
127.00312	2.0
127.02430	4.7
129.01912	2.4
129.03998	4.0
130.05087	1.6
130.08643	4.7
130.12274	6.6
131.01917	34.2
131.03403	14.2
133.01700	2.7
133.03508	10.6
133.10117	1.4
135.03217	5.6
137.02966	17.8
139.02591	1.8
141.05469	1.2
142.03516	1.7
143.01906	9.9
144.10182	4.5
144.99869	1.9
145.01364	2.7
145.03468	23.3
145.04770	1.7
145.04982	1.5
145.10017	1.2
147.01384	2.6
147.03204	14.5
147.04938	2.2
149.01208	1.6
149.02917	7.1
151.04436	1.6
153.01828	10.1
153.04143	1.3
154.03520	3.2
155.01927	5.5
155.08878	1.4
157.03488	3.2
157.04979	3.5
158.99776	1.3
159.01427	4.4
159.02931	17.5
161.02979	20.5
161.06557	1.3
161.13286	1.3
163.02693	2.4
163.04530	9.1
164.04863	2.0
165.04128	1.7
167.01825	1.7
168.05077	21.4
169.03448	1.6
170.06644	1.4
171.05128	5.5
172.04604	1.2
172.99327	1.5
173.02979	20.0
173.04372	2.3
173.06525	4.1
174.05714	1.8
175.01105	1.3
175.02716	1.7
175.04591	3.4
177.00781	7.2
177.02481	10.7
177.04257	3.9
177.06013	1.3
181.03510	2.1
182.54333	2.1
183.01497	2.1
184.06114	1.4
184.09842	1.7
185.02950	1.4
186.06134	8.2
189.02539	2.7
189.06110	3.3
191.02267	3.9
191.04031	11.9
191.05621	2.1
191.07359	1.4
193.03786	2.8
195.01711	2.5
195.05186	5.1
196.00935	4.5
196.02721	1.7
196.04552	14.5
196.08203	1.3
197.03023	1.2
199.04549	1.9
200.57556	1.5
201.02449	80.6
202.02615	1.6
202.10788	1.6
203.04077	1.8
203.14299	12.6
209.03302	1.9
214.02187	1.5
214.05605	6.0
215.03964	1.8
219.02043	4.2
219.03537	85.2
219.06816	15.3
219.17419	46.6
220.03764	1.7
222.18771	1.1
235.06720	1.5
237.02585	2.2
237.06393	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	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.88423	1.6
53.03931	3.8
55.01875	3.0
55.05276	2.8
55.05516	44.2
57.07057	2.5
59.04996	4.6
63.57358	1.6
65.03925	2.4
67.05508	18.4
69.03430	11.5
69.07078	13.7
70.06579	1.6
70.25620	4.2
70.25990	3.2
71.05001	3.8
73.02930	2.8
79.05505	15.7
81.07062	21.3
83.04494	3.2
83.04990	54.8
83.08613	7.2
85.06539	4.5
87.04464	7.6
89.02393	4.4
89.06043	8.5
91.05491	20.3
93.07053	32.0
95.04373	2.6
95.04979	48.1
95.08615	29.4
97.06533	7.6
99.04448	6.5
101.06026	18.0
103.05473	2.6
105.07039	55.5
107.04954	3.1
107.08602	31.1
108.08175	1.7
109.06537	15.7
109.10163	18.5
111.04452	79.4
111.08076	4.5
113.06028	11.0
117.07002	5.3
119.08592	45.4
121.06512	6.1
121.10155	81.1
123.08087	16.5
123.11736	3.4
127.07566	10.9
128.06233	5.2
128.99138	1.7
129.05472	9.7
129.07002	6.7
131.08586	11.4
133.06509	4.1
133.10138	33.0
133.59044	1.8
135.07996	4.1
135.11688	8.1
137.05940	1.8
137.09612	4.6
141.06985	2.6
142.07788	6.5
143.08563	17.8
144.09306	2.1
145.10133	11.7
147.08070	10.3
147.11731	14.0
149.09613	2.3
155.07045	98.2
156.05762	2.8
156.07312	2.1
156.09373	2.3
157.10164	22.7
159.08101	1.8
159.11697	16.4
161.09636	26.1
161.13251	11.3
169.10077	2.8
170.10999	3.2
171.11729	9.1
173.08121	48.6
173.09502	2.2
173.13240	11.0
174.18552	3.1
175.11205	3.7
175.14833	8.6
184.12460	3.8
187.14876	4.7
189.16389	7.3
199.09674	6.2
199.14833	41.0
202.02567	8.6
217.05057	11.1
217.08658	8.3
217.10670	43.6
217.15900	100.0
217.19511	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	217.0683
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
60.05651	2.2
65.60014	1.8
66.98419	1.8
67.46552	2.0
69.35656	1.7
70.06593	11.8
71.04980	2.4
71.50030	2.1
72.08156	3.8
78.92000	2.1
82.99863	1.9
84.08149	3.2
101.00873	7.9
112.07648	2.9
113.07103	2.4
115.08664	5.9
116.07076	3.6
119.01936	13.7
123.49996	1.8
127.02382	2.0
131.01920	2.0
145.03477	14.4
157.09842	2.5
158.08134	8.5
163.04655	4.3
189.02434	5.0
200.10291	3.4
217.06844	100.0
217.12920	13.3
224.93976	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1645
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05508	28.1
57.03425	7.8
65.76462	7.1
67.05516	32.0
69.07066	34.3
70.06618	8.6
70.85777	18.7
71.04995	14.9
72.08163	9.8
72.93786	12.2
74.09726	21.9
79.05503	22.8
81.07050	55.0
82.36855	7.7
83.08628	17.0
85.06557	11.7
91.05466	22.5
93.07044	19.9
95.08616	100.0
97.06543	17.3
105.07035	31.5
107.08636	15.7
115.05404	7.6
117.07016	16.1
119.08604	32.8
121.10141	12.6
126.09170	21.2
128.14381	18.5
131.08614	14.8
132.95842	67.9
133.10130	30.4
135.11713	11.6
141.06955	10.3
145.10175	12.5
150.96895	71.6
159.11717	10.1
161.13300	51.2
173.06038	10.5
179.14333	24.1
191.97183	23.1
198.11275	17.0
215.06897	13.7
215.10728	22.7
215.14346	26.0
215.17754	34.0
216.12291	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	216.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67418	0.8
67.99908	1.0
70.01460	5.5
70.02965	2.2
70.10989	2.3
70.11398	2.0
74.09176	1.0
82.99839	12.6
84.02992	4.5
86.00906	1.1
88.02509	2.5
88.04002	1.6
93.95444	1.0
94.99809	1.2
101.00891	79.4
102.00954	2.6
102.02068	1.4
102.04044	3.9
105.84946	0.9
109.98945	0.8
112.01904	0.8
112.02501	10.1
113.00884	9.7
119.01931	100.0
120.02013	3.6
121.50852	1.0
124.02400	1.0
126.04032	20.2
127.43227	0.8
128.58710	0.8
130.03517	27.1
131.01918	33.6
131.03476	1.2
132.01414	1.2
136.49960	1.0
137.02968	11.6
142.03531	1.0
144.03210	2.3
144.05077	86.5
145.03450	1.3
145.05182	2.0
148.04530	2.7
149.02971	8.6
154.03423	5.1
156.01431	13.7
159.02310	1.4
161.04121	1.8
162.04205	12.7
162.06131	6.9
166.51237	1.2
167.06622	0.9
170.03011	37.8
170.99101	1.2
171.03218	1.0
172.04578	7.9
173.02913	5.7
174.02518	29.6
174.04034	2.7
175.51697	2.0
180.05292	3.0
188.04056	31.1
190.05603	2.5
191.04027	4.0
192.03590	2.9
199.00917	10.9
206.05078	2.5
210.52766	1.4
216.03558	46.3
216.12347	1.3
217.01987	12.4
228.08110	1.0
234.04649	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05273	1.2
55.05516	15.0
55.93516	1.2
56.05040	1.9
56.96568	0.9
57.03410	1.2
66.94878	0.8
68.05024	1.1
69.03429	1.6
69.07086	1.2
70.02937	1.2
70.06583	3.0
70.95870	5.4
71.04976	2.4
71.41707	1.5
72.08165	2.1
72.93793	17.6
73.02901	2.2
74.08598	0.9
74.09723	3.0
79.05476	1.6
80.05046	1.0
81.03432	1.1
81.07046	2.6
82.06572	1.4
83.08626	10.6
84.04510	5.4
84.08140	2.2
84.92090	0.8
85.02911	1.2
86.02417	3.6
86.06075	1.3
86.09689	1.4
87.05596	7.3
88.03999	3.3
88.96941	1.1
89.94044	0.8
90.94827	15.3
93.07032	1.4
95.04964	1.5
95.08611	2.2
98.97596	1.1
98.98468	1.1
99.00825	1.2
100.04003	1.8
100.11273	5.5
101.09650	1.0
102.05530	1.4
105.07060	1.1
108.95848	1.1
109.06522	1.9
110.06022	1.5
110.09691	30.8
112.11242	8.4
113.96370	0.9
114.05535	1.0
114.94823	2.4
123.08081	2.1
124.11267	3.0
126.09115	0.9
126.12786	3.0
127.07564	1.2
128.07077	1.5
131.95058	1.0
132.95848	89.6
139.01535	0.9
149.96107	13.8
150.96899	100.0
151.07562	5.5
152.10725	7.1
154.12262	2.6
155.07019	5.7
155.97459	1.6
156.10208	31.5
159.04425	1.2
159.98337	0.8
167.97179	7.7
168.97977	1.6
169.08711	1.3
169.10162	1.1
169.13354	11.9
170.11772	11.1
173.96161	1.7
173.98503	1.8
191.97166	41.0
197.08231	1.3
198.11259	28.2
198.13077	1.9
209.98219	12.7
214.22078	0.9
214.98808	1.7
215.03413	1.0
215.07037	1.8
215.10883	1.2
215.13927	16.5
216.12329	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70938	1.4
55.01859	1.8
55.05512	40.4
56.05025	5.0
58.02971	2.4
60.04512	3.4
67.05498	3.2
68.05025	4.8
69.03416	2.0
69.07067	2.8
70.02944	3.6
70.06572	3.2
70.26131	4.8
70.95843	5.9
71.57022	1.3
72.04505	3.2
72.93798	16.0
73.02894	4.1
74.09695	2.2
75.78878	1.3
80.04956	1.3
81.07038	4.8
82.06577	2.8
82.99699	1.5
83.08626	37.7
84.04517	10.2
84.08131	3.6
86.02446	9.9
87.05592	19.2
88.03970	6.9
90.94830	16.4
91.05504	1.8
93.07036	2.4
95.08580	1.4
96.04483	2.8
96.08075	1.4
98.97549	1.8
99.00815	4.7
100.03965	5.8
100.11263	18.9
101.09653	3.5
102.05542	3.7
105.06969	1.5
108.95837	1.6
109.06526	1.9
110.06068	2.1
110.09691	88.3
112.10551	2.3
112.11258	28.1
114.05535	1.7
114.94764	2.8
117.70583	1.4
124.11211	9.1
126.12805	9.0
132.95844	100.0
149.96111	12.6
150.96899	84.2
151.07605	2.6
152.10719	21.7
154.12308	6.7
155.06998	4.6
155.97452	1.7
156.10213	87.4
167.97139	5.3
169.13385	34.4
170.11771	34.2
171.14825	1.7
173.96082	1.9
180.10202	1.6
191.97166	41.6
198.11275	80.5
209.98218	13.3
215.07034	1.6
215.13931	46.0
216.12331	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13689	0.2
51.04355	0.2
53.03730	0.2
53.03944	1.2
55.01889	0.2
55.05520	2.3
56.05052	0.3
56.96567	1.7
57.03439	0.7
58.99874	0.3
67.05506	2.3
68.05024	1.0
69.03426	1.3
69.62742	0.5
69.63148	0.9
70.06603	1.6
70.95874	0.4
71.04981	0.5
72.04522	0.4
72.08163	1.5
72.93810	1.2
73.02913	0.5
74.02457	0.7
77.00894	0.2
79.05492	0.6
80.05022	1.0
81.03416	0.8
81.07066	0.5
82.01455	0.3
82.06586	0.8
82.99837	0.2
83.04964	0.3
84.04522	0.3
84.08147	7.2
85.02919	0.8
85.06543	0.3
87.04479	0.3
88.03969	0.3
88.07627	0.2
90.94835	1.4
93.05811	0.5
94.06579	1.9
95.04975	1.0
95.08607	4.8
96.04501	14.7
96.08128	1.2
97.02896	3.2
97.04832	0.6
98.06055	0.6
98.21545	0.2
98.97591	1.2
99.04456	1.2
100.02518	1.0
100.04006	0.2
101.00880	4.1
105.07050	0.3
107.04958	0.3
108.04488	3.2
108.08101	0.4
108.95845	0.4
111.04440	0.6
112.07612	1.6
113.00839	0.2
113.06007	0.4
114.05576	1.3
114.09174	45.3
115.02470	0.5
115.03968	0.3
115.09521	0.3
116.07094	0.4
116.98622	0.6
117.02916	0.3
118.03531	0.7
119.01932	12.4
121.06560	0.4
122.06028	1.1
122.09674	2.0
123.04438	0.7
123.08076	0.9
125.02347	0.3
126.05531	1.8
127.02406	0.5
128.98598	0.3
129.03967	0.8
131.01906	0.7
132.95834	5.4
133.03476	0.4
136.07547	0.3
137.02986	3.6
137.05957	0.3
140.07068	0.3
140.10698	0.8
141.00095	0.4
141.05489	0.3
141.09113	1.0
142.05035	3.0
142.08643	100.0
143.01862	0.4
143.03520	0.4
143.08990	1.0
145.03474	3.0
147.05075	2.1
149.96132	0.9
150.05486	1.2
150.09145	2.2
150.96893	6.3
152.07152	0.3
154.04999	3.6
157.03395	0.3
160.06419	0.6
161.02986	0.7
162.99118	0.3
163.04596	1.2
165.06041	0.4
167.07085	0.5
167.97118	0.8
168.05086	2.4
168.06558	1.0
168.10204	3.9
168.13898	0.5
170.11858	0.5
171.05032	1.8
173.02861	0.6
177.05479	0.4
178.07410	0.4
186.06105	0.7
187.04491	0.7
189.06123	3.2
190.07442	0.4
191.03978	1.2
191.97156	2.1
196.04550	1.1
196.05956	0.4
196.09695	2.3
196.13390	0.3
203.04059	0.3
205.05544	0.6
209.03133	0.3
209.98213	0.8
214.05571	2.9
214.07426	2.0
214.10747	5.9
214.14307	4.1
215.03970	1.6
215.07489	0.3
221.05096	0.6
232.06631	0.5
232.08588	0.8
233.05072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.05520	3.8
56.96539	0.7
57.07076	3.6
67.05499	1.1
69.07069	6.2
69.16968	0.6
79.05505	4.4
81.07052	2.4
83.08609	3.1
88.07626	2.8
91.05502	6.6
93.07049	7.4
95.04967	1.4
95.08611	2.1
98.01283	0.6
99.04499	0.8
103.05458	1.5
105.07043	43.0
107.04979	1.5
107.08602	6.1
115.05470	0.8
117.07012	2.5
119.08591	37.9
121.10162	8.6
128.06236	10.9
129.07039	8.1
131.08534	2.4
133.10150	4.6
139.07527	1.5
141.06973	3.4
142.07793	13.1
143.08572	52.4
145.10161	3.1
155.06055	1.0
155.08565	3.1
156.09357	11.3
157.10144	45.2
158.10776	1.3
159.11707	1.7
163.07680	0.9
167.07034	1.9
167.08565	0.9
169.10165	3.2
170.10938	3.2
171.11705	40.5
172.12402	1.1
183.11734	5.5
184.12486	2.4
185.09969	1.9
185.13277	5.0
195.06525	0.8
195.11708	1.7
198.10512	0.7
198.14037	5.0
211.14870	0.9
213.12778	3.6
213.16409	100.0
214.16890	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	213.1852
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03955	4.6
55.01878	4.3
55.05518	49.1
56.96542	2.2
57.03436	2.6
57.07097	11.2
59.05005	6.4
60.59094	2.0
63.64629	1.8
64.29490	1.9
67.05511	32.8
69.03437	3.2
69.07076	100.0
71.05000	21.8
71.08651	4.4
71.26205	2.2
71.50854	3.9
72.73753	2.0
79.05499	18.4
81.07067	68.5
83.04974	10.0
83.08631	25.5
85.06553	37.0
88.07645	2.5
91.05492	7.5
93.07053	40.7
94.59356	1.9
95.08617	90.7
96.08961	2.1
97.06555	6.5
97.10178	20.8
99.08111	27.0
105.07031	8.1
107.04964	9.4
107.08605	57.4
108.90456	1.9
109.10165	46.4
111.04504	2.2
111.08096	6.5
111.10852	1.9
111.11738	10.4
113.09653	11.2
119.08651	2.7
121.10159	80.3
123.11723	13.7
125.09626	8.4
127.11207	2.5
128.06227	3.5
135.08066	3.9
135.11719	39.9
137.07175	2.5
137.09666	2.4
137.13284	30.0
139.03923	3.8
139.11197	12.1
141.06990	4.0
148.97379	2.3
149.13290	8.2
151.14839	4.9
152.06244	6.8
153.12779	9.6
155.08571	2.6
157.10185	7.2
163.07608	4.7
167.07069	14.2
167.08636	10.2
171.11717	4.8
177.16405	73.8
185.05928	3.7
185.09749	6.9
193.08293	2.2
195.06544	3.2
195.08093	15.0
195.09937	2.8
195.17464	18.3
198.06674	2.4
213.05487	16.7
213.09157	18.8
213.12793	7.3
213.16368	7.7
213.18556	8.1
214.10762	2.7
215.75224	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	213.1488
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03940	3.2
55.01878	17.8
55.05516	76.3
56.96550	4.8
57.03436	3.0
59.05003	3.1
63.87442	1.2
67.05188	1.9
67.05512	31.7
68.99800	1.2
69.03430	9.5
69.07076	14.0
69.67429	7.2
71.05002	73.7
71.32439	1.4
79.05086	1.8
79.05507	27.5
81.03417	2.3
81.06607	2.5
81.07063	36.0
83.04982	6.2
83.08628	46.2
85.02930	1.3
85.06551	6.5
87.04461	9.7
88.07629	2.9
90.93423	1.1
91.05501	8.6
93.06498	2.2
93.07053	23.0
95.04968	2.9
95.08614	15.1
97.06543	96.5
97.10180	64.7
98.06799	1.4
99.04462	2.1
101.09663	2.5
103.05450	2.4
105.04437	1.3
105.07032	7.0
107.04927	4.7
107.08605	26.0
108.08125	1.4
109.06485	2.8
109.10169	18.1
111.08070	5.1
113.05230	1.3
115.05461	1.4
117.07047	6.2
119.08593	2.6
121.06473	3.1
121.10133	3.4
121.35160	1.3
123.04504	1.4
123.08036	1.5
123.11653	2.4
125.09642	39.6
128.06219	1.3
129.07013	5.7
131.08565	5.6
133.10133	5.6
135.08080	7.9
135.11700	6.4
139.03928	17.3
141.07037	1.5
142.07751	3.6
143.08565	2.3
147.11617	2.1
148.97372	2.1
149.09601	2.1
149.13272	3.3
152.06227	7.9
153.09093	4.0
154.08595	1.4
156.09259	1.9
157.06499	2.3
157.10130	7.9
159.11620	4.7
163.07542	1.8
165.06940	2.7
167.07036	9.3
167.08565	11.5
171.08038	2.5
171.11713	2.6
177.09158	1.5
177.12781	6.9
184.05179	4.2
185.05927	3.9
185.09676	8.4
189.11256	7.6
195.08081	19.3
195.09927	2.7
195.13828	44.5
198.06747	4.3
198.96382	1.3
201.00613	1.4
213.00757	2.1
213.05371	2.2
213.09174	22.6
213.13060	4.0
213.14847	100.0
214.15161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03937	4.4
55.01876	17.7
55.05513	82.9
56.96553	2.0
57.03424	3.4
57.07058	1.7
59.04995	3.7
65.03952	2.0
67.05506	36.8
69.03432	9.2
69.07066	20.2
70.06584	1.2
71.04995	69.0
79.05069	2.0
79.05495	27.5
81.03415	3.2
81.06603	2.0
81.07061	44.7
83.04974	10.8
83.08620	53.2
85.06545	8.8
87.04476	7.9
88.07623	2.8
91.05499	11.8
93.06480	2.0
93.07043	30.3
95.04954	4.5
95.08618	19.9
97.06533	100.0
97.10171	65.6
98.21520	3.3
99.08064	2.7
101.06020	1.9
101.09634	2.9
103.05460	2.0
105.07035	6.7
107.04962	8.0
107.08607	25.1
108.77534	1.2
109.06479	3.4
109.10155	15.5
110.07123	1.4
111.08090	6.5
111.27913	1.2
113.05978	1.6
115.05476	1.9
117.07018	5.7
119.08559	3.8
121.06425	1.9
121.10160	7.6
123.04355	1.5
123.11681	2.2
125.08787	2.6
125.09635	41.6
128.06210	1.8
129.06989	2.9
130.96312	1.6
131.08569	9.2
133.10149	6.9
135.08052	8.8
135.11684	11.9
139.03891	9.2
142.07750	2.2
143.08565	2.6
147.11653	2.2
148.97386	1.8
149.09576	1.8
149.13268	7.8
152.06168	4.1
153.09065	2.6
156.09341	1.8
157.06479	2.4
157.10184	7.2
159.08035	1.6
159.11731	9.4
163.07463	2.5
165.06966	2.9
167.04776	1.4
167.07011	13.6
167.08560	8.6
167.14299	2.6
171.11650	2.8
177.09171	1.4
177.12747	10.2
181.04909	2.5
184.05217	1.9
185.05682	1.6
185.07149	1.9
185.09688	5.2
185.13341	1.7
189.11263	7.6
195.08113	10.5
195.13824	45.4
195.17505	1.9
198.06685	2.2
201.00731	2.1
213.05417	3.6
213.09137	13.8
213.12889	4.3
213.14813	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03940	1.2
55.01870	1.1
55.05514	20.3
57.03439	2.2
57.07078	11.8
60.64396	0.8
67.05510	4.1
69.03444	1.5
69.07065	4.4
71.04992	0.9
71.50920	0.7
71.51299	1.1
79.05507	5.6
81.07058	7.4
83.04994	10.9
83.08613	1.8
85.06536	4.8
88.07629	2.0
91.05470	5.3
93.07047	14.7
95.04983	1.6
95.08612	12.7
95.68640	0.7
97.06554	6.0
105.07040	6.3
107.04968	2.4
107.08604	20.0
109.06520	4.4
109.10181	3.3
111.04449	100.0
111.08097	3.7
113.05997	1.9
117.07011	1.6
119.08598	3.5
121.06523	3.2
121.10152	3.0
122.07291	0.8
123.08083	1.3
125.06001	34.1
127.07572	4.6
128.06236	1.5
129.07013	2.7
130.07787	1.3
133.10083	0.8
135.08066	15.3
135.11694	20.6
135.80258	1.0
137.13260	1.5
139.07573	4.8
142.07796	2.0
143.08578	4.9
145.10121	18.6
153.12746	5.9
156.09380	1.1
157.10106	5.2
163.11192	24.1
167.07082	1.6
169.10159	1.0
171.11754	3.9
181.12248	40.3
182.12605	1.0
185.09956	1.5
185.13144	1.0
195.11967	0.9
195.13799	4.2
213.09563	1.9
213.12775	4.7
213.14902	1.0
213.16420	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
52.03160	0.4
53.03950	1.4
55.01866	0.7
57.94788	0.4
61.10698	0.4
63.00045	1.0
71.02216	0.5
71.02563	0.9
78.04707	2.0
79.05494	8.9
81.07040	0.6
83.23446	0.4
91.05481	4.5
92.06249	0.4
93.03416	0.9
93.07035	0.7
95.04972	2.3
98.89723	0.4
98.97578	0.9
103.05470	8.2
105.04491	0.7
105.07038	6.0
106.04180	1.4
107.04959	59.6
107.08614	1.3
109.06507	0.9
115.05450	3.6
117.07021	1.8
119.04981	0.5
120.05714	2.1
121.06501	0.8
121.10143	0.6
122.03630	1.1
123.04436	6.0
124.05220	3.2
125.06007	0.7
131.04956	2.0
133.06534	0.7
135.08057	15.4
137.06006	1.4
139.03918	0.6
145.07622	1.4
147.04370	1.5
149.05946	1.0
151.03871	1.4
152.04710	2.2
154.06203	2.7
155.76439	0.4
163.07553	27.5
165.05481	0.6
167.07045	100.0
168.07365	1.3
177.09081	0.6
179.12506	0.4
180.07825	2.9
181.08627	0.4
195.08458	0.5
195.10176	14.8
213.09363	0.5
213.11154	2.0
219.72182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01857	1.2
55.05515	12.1
56.05022	3.5
56.96567	1.1
60.04519	2.8
65.03936	1.1
67.04252	1.2
67.05183	0.9
67.05480	4.7
68.05038	7.3
69.07063	0.9
70.02949	2.1
70.06582	2.5
71.06239	2.2
71.22855	0.8
72.04527	1.1
72.08171	1.4
73.02898	2.0
79.05065	1.4
79.05499	18.2
80.05025	9.2
81.03419	1.5
81.07063	36.9
82.06589	16.1
83.08623	2.8
84.04491	2.2
84.08139	3.7
86.02450	2.0
87.05591	15.8
88.07645	1.1
91.05472	6.2
93.05787	3.9
93.07052	2.9
94.06562	3.9
95.04960	1.2
95.07341	3.4
95.08612	9.1
96.04499	23.6
96.08129	2.0
97.02877	3.6
97.06520	1.0
97.08913	13.4
98.06046	1.0
98.09695	7.9
98.97602	1.1
99.00804	1.7
99.04490	1.1
99.08086	1.9
100.02230	1.8
100.03961	2.9
105.07011	1.0
107.04899	2.5
107.08585	2.2
108.04502	7.6
108.08123	100.0
109.06559	1.1
109.08442	1.0
110.06023	1.1
110.09687	15.1
114.05533	3.8
115.05479	1.0
116.98635	1.2
122.08787	1.0
122.09678	20.0
122.10558	0.7
123.08070	4.0
124.07597	2.1
124.11250	4.3
126.05533	5.4
126.09162	5.7
128.03410	2.3
130.96289	4.0
136.07607	3.0
139.06206	0.9
140.10706	3.1
141.00073	1.4
142.05008	18.8
147.96655	0.9
148.97350	3.1
150.09154	11.9
151.07581	1.0
152.10728	2.2
154.05031	13.4
154.08640	59.8
158.20355	0.9
166.56367	1.0
167.07007	1.9
167.11823	9.9
168.10268	7.1
169.13364	1.6
178.08704	1.4
189.97638	1.6
196.09703	34.7
213.12343	23.0
214.10756	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	212.0554
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
53.03936	1.0
55.05512	0.9
56.96553	2.2
57.03424	1.0
58.46251	0.7
61.04626	0.7
65.03941	7.2
67.05505	1.1
69.03445	1.6
70.06585	2.5
71.50663	0.8
71.51060	1.0
76.51986	0.7
79.05493	2.2
80.05013	2.1
81.03383	1.3
81.05809	1.4
81.07059	1.8
82.06583	2.2
85.02894	1.6
86.06075	0.9
91.05487	1.8
92.05011	7.7
93.03437	0.8
93.07038	1.1
94.06561	1.1
95.04990	1.0
95.07367	1.4
96.04504	1.6
96.08133	2.7
96.41207	0.7
97.02907	0.9
97.06502	0.9
98.06039	1.3
98.97610	1.6
106.02927	2.7
106.06554	2.3
107.74349	0.7
109.02890	1.7
110.06059	2.1
112.07587	0.9
112.39671	0.9
120.04492	0.8
120.08128	1.4
122.06036	3.2
122.09726	0.8
124.07603	3.4
126.01014	0.8
130.96312	2.0
131.08575	0.9
134.09651	1.1
136.07553	1.7
138.05486	1.0
138.09146	2.8
140.07085	2.3
148.03964	2.8
148.07600	1.1
148.97328	1.8
150.05495	1.3
152.07115	1.0
154.08607	1.0
166.05011	100.0
166.08632	5.1
166.12204	1.7
167.05363	0.8
168.07454	1.6
176.03464	3.1
184.09700	10.1
188.92505	0.9
194.04503	70.1
194.11786	1.9
206.98839	1.1
207.01808	1.0
212.05600	3.9
212.07381	1.5
212.09183	7.6
212.12823	4.7
212.16502	2.0
227.32678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03937	2.1
55.01880	1.1
55.05270	1.0
55.05518	16.7
56.05838	1.7
57.03436	2.0
57.07084	4.1
59.04992	2.3
65.03952	1.4
67.05510	30.4
67.63717	0.7
69.03433	10.4
69.06727	1.3
69.07076	17.2
71.04993	3.1
71.08623	1.7
79.05487	6.1
81.03412	1.1
81.07063	31.7
83.04990	12.1
83.08624	9.6
85.06553	6.3
87.08156	0.7
91.05491	6.7
93.07044	14.0
95.04965	6.0
95.08612	42.2
97.06561	1.9
97.10175	2.5
99.08096	4.1
100.07605	1.6
100.11258	1.0
101.11587	2.0
105.07035	9.3
107.08602	29.4
109.06517	11.7
109.10165	100.0
110.10521	1.6
111.04446	0.8
111.08081	4.5
112.04813	1.3
112.07630	0.9
113.09641	2.0
119.04974	0.8
119.08591	25.9
121.10151	12.6
123.04457	2.1
123.08085	16.3
123.11698	10.1
125.09680	2.0
127.11180	0.9
131.08611	0.9
133.10139	20.5
135.11702	68.4
136.12044	1.1
137.09625	18.3
138.10449	1.0
139.11191	2.8
147.11696	1.8
149.13266	5.8
151.07632	0.9
151.11186	9.1
151.14821	10.0
153.12701	3.7
155.10645	0.8
165.16446	2.0
167.07034	4.8
167.10750	0.9
175.13312	1.1
175.14845	21.9
179.07065	3.2
183.15765	7.4
184.09763	0.7
193.15886	16.6
211.13248	0.9
211.15189	2.9
211.16919	1.8
213.77003	0.8
214.24777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.81116	1.3
55.01866	1.5
55.05517	17.2
57.03447	1.7
57.07062	5.0
59.05002	3.1
60.89472	1.2
67.05185	2.0
67.05508	29.2
68.92216	1.2
69.03428	10.7
69.07071	18.1
69.36141	4.7
69.36560	6.0
71.04976	4.7
79.05487	5.0
81.07062	31.5
83.04990	14.6
83.08610	8.4
85.06537	4.7
91.05457	6.2
91.76068	1.2
93.07057	13.7
95.04982	3.0
95.08611	38.2
97.06550	2.1
97.10147	3.4
98.20771	2.5
99.08072	3.6
105.07033	8.1
107.08590	25.1
109.06516	11.6
109.10162	100.0
111.08039	2.9
113.09632	2.0
119.08578	23.3
121.10169	11.4
123.08076	16.4
123.11723	10.0
125.09602	2.0
133.10141	18.6
135.11697	61.3
137.09639	15.7
147.11598	2.0
149.13243	6.4
151.11182	8.7
151.14822	13.1
153.12718	1.7
165.16385	2.8
175.14839	19.0
193.15880	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.64335	1.3
55.05516	14.6
57.07083	2.7
59.04994	2.7
59.75937	1.4
67.05177	2.4
67.05512	29.1
69.03432	8.6
69.07069	16.2
71.04996	3.7
71.24561	2.8
79.05502	5.0
81.07061	29.5
83.04990	12.8
83.08629	9.6
85.06545	3.7
91.05497	4.8
93.07050	11.7
95.04984	2.9
95.08614	42.7
97.10189	3.7
99.08096	3.5
105.07062	7.8
107.08607	25.3
109.06524	11.1
109.10163	100.0
110.10500	1.8
111.08083	2.4
111.76160	1.5
116.19529	1.6
119.08603	22.6
121.10152	11.7
123.08071	13.8
123.11694	10.2
133.10135	18.7
135.11703	64.2
137.09624	16.6
147.11723	2.7
149.13286	6.5
150.82454	1.4
151.11211	11.1
151.14839	10.6
153.12787	3.2
165.16458	2.5
175.14824	21.8
193.15932	16.1
211.17010	2.7
212.66272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80954	0.8
53.03933	1.7
55.01870	2.0
55.05513	8.7
57.03437	2.2
57.07075	1.6
65.03931	1.4
67.05508	21.4
69.03422	2.2
69.07072	11.0
69.43579	5.4
70.06583	1.5
71.04999	5.0
79.05504	8.0
80.03005	0.8
81.03421	4.7
81.07056	18.6
83.04988	8.5
83.08617	4.2
85.06549	5.4
91.04539	0.8
91.04981	1.3
91.05489	17.4
93.07049	17.4
95.04974	100.0
95.08613	14.2
96.05273	1.2
97.06530	1.5
99.04447	3.2
99.08099	19.6
101.06011	1.8
103.05487	1.3
105.07039	20.5
107.04972	2.9
107.08596	11.5
109.06532	14.5
109.10165	27.3
111.08096	1.5
113.06039	1.7
119.04972	1.7
119.08588	10.9
121.06537	1.6
121.10125	2.1
123.04419	2.1
123.08066	2.2
123.11710	2.9
125.09604	1.4
127.07543	2.2
131.08574	2.4
133.06451	2.5
133.10141	55.2
134.10522	1.2
135.11679	4.8
137.06004	5.4
137.09625	38.3
141.05380	0.9
147.11707	12.7
149.06042	1.3
149.09686	1.0
151.03825	1.3
151.07559	3.4
151.11197	27.6
152.11536	1.0
152.14343	1.5
155.07054	7.7
155.10675	18.9
157.10129	1.5
165.05470	1.4
165.09117	1.2
165.12781	2.4
165.16499	0.9
167.07033	3.5
170.05731	1.0
175.11171	5.2
175.14828	4.0
179.03339	1.2
181.02855	1.1
184.09651	1.6
193.04964	0.9
193.08617	2.9
193.12265	11.5
193.15930	8.2
196.30037	0.7
211.05814	2.2
211.07562	2.1
211.11357	1.9
211.13335	6.8
211.16895	13.7
212.09201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.19770	1.5
53.03944	5.5
53.68597	1.2
55.01883	6.5
55.05516	46.2
56.96550	1.8
57.03444	21.3
57.07072	3.5
59.05002	1.5
65.03951	3.1
67.05508	43.2
69.03431	18.8
69.07071	18.9
70.07716	4.9
71.05003	9.7
72.73291	1.1
78.04716	1.8
79.05500	37.6
81.03423	100.0
81.07062	53.7
81.07446	0.7
83.04987	58.3
83.08625	41.2
84.50455	1.2
85.02912	1.4
85.06544	7.1
91.05489	40.2
93.07053	28.5
95.04971	36.2
95.08621	29.6
96.37804	1.1
97.02901	4.4
97.06534	8.5
97.10158	9.3
99.08123	3.1
103.05486	3.8
105.04508	1.7
105.07034	29.5
107.04955	8.1
107.08598	18.3
109.02954	1.8
109.06525	11.4
109.10164	30.5
111.04432	4.5
111.08076	12.4
115.05464	2.7
117.07014	2.8
119.04961	3.0
119.08587	29.8
121.06517	6.6
121.10153	14.1
123.04427	9.6
123.08061	11.1
123.11721	10.5
125.09641	9.2
127.11176	2.7
129.07001	11.4
131.08589	15.1
133.06509	6.7
133.10136	18.7
135.08075	1.6
135.11716	15.4
137.06000	3.7
137.09618	8.8
139.11206	5.4
142.07765	2.6
145.10217	1.5
147.08073	4.2
147.11694	15.8
149.06001	6.7
149.09692	8.3
149.10715	1.2
149.13304	2.3
151.03984	1.6
151.07562	2.6
151.11206	7.5
151.14847	3.3
152.04591	1.3
152.14357	1.2
155.08542	1.5
157.10139	14.5
157.49402	1.3
161.06006	1.4
165.05630	1.4
165.09135	2.0
165.12784	5.1
166.06290	2.6
167.07062	46.8
167.10660	4.0
167.14365	2.5
169.10078	2.4
175.11215	12.7
175.14798	4.9
179.07071	8.3
181.08600	5.6
183.08011	2.0
184.09741	2.0
184.52527	1.3
193.08633	4.4
193.12253	36.8
193.15924	5.5
201.48978	1.2
205.98735	1.7
211.07738	2.6
211.09569	2.1
211.11287	2.7
211.13206	14.4
211.15012	2.1
211.16968	4.8
212.09326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.51074	2.4
54.26631	2.5
55.01858	12.2
55.05514	18.3
57.03420	9.0
63.27281	2.8
63.27647	2.4
67.05507	55.1
69.03430	5.7
69.07069	26.5
70.45815	5.8
70.46171	5.5
71.04991	4.9
76.86625	2.5
79.05496	36.5
81.03423	14.0
81.06587	5.4
81.07056	100.0
82.01828	2.7
83.04980	18.0
83.08612	10.4
85.02902	3.4
85.06524	8.0
90.07360	2.7
91.05488	66.6
93.07047	26.5
95.04964	17.8
95.08609	22.9
97.06541	17.9
98.06123	2.8
98.21365	3.2
102.56753	2.4
105.07040	57.6
107.04877	4.6
107.08604	12.8
108.11710	2.6
108.32100	3.5
109.06538	17.8
109.10152	11.0
111.08092	3.8
117.70970	2.4
119.08595	42.1
121.10143	23.6
123.08056	4.9
123.11711	27.9
125.06010	3.9
129.07025	15.5
131.08591	17.3
133.10149	39.1
135.11755	4.2
142.07729	2.7
147.08066	2.8
147.11690	86.4
148.11833	2.5
149.09608	6.4
151.07585	3.7
151.11130	3.5
157.10133	20.7
165.12769	23.6
167.07050	7.3
175.11232	27.1
184.09665	3.3
193.12253	19.2
211.13264	17.7
211.14972	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	211.1331
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03942	5.5
55.01873	6.7
55.05516	48.9
57.03444	14.3
65.03933	2.5
67.05509	35.3
69.03439	15.5
69.06764	1.8
69.07072	14.6
70.76485	2.7
70.76824	2.3
71.04993	6.3
78.60262	1.6
79.05067	2.6
79.05500	34.7
80.08022	1.2
80.44219	1.5
81.03426	100.0
81.07059	40.1
83.04491	2.8
83.04987	51.9
83.08155	2.9
83.08625	42.2
85.06558	2.2
86.89541	1.3
91.05489	37.1
92.69631	1.3
93.07053	24.0
95.04976	34.0
95.08617	18.4
97.02906	2.7
97.06520	5.4
97.10188	9.0
99.04417	2.6
99.08120	1.9
103.05476	1.2
105.07036	26.0
107.04968	7.4
107.08591	12.5
109.06516	7.6
109.10165	10.5
111.04458	1.8
111.08078	11.6
115.05449	1.9
119.08586	19.9
121.06541	3.1
121.10165	9.8
123.04388	1.8
123.08090	4.6
123.11720	2.0
125.09649	4.9
127.11217	1.9
129.07025	11.3
131.08569	13.8
133.06494	5.4
133.10144	12.2
135.11684	2.3
137.09621	3.3
142.07819	3.1
147.08081	3.3
147.11697	13.7
149.09651	7.8
151.11157	1.3
157.10146	14.9
165.12762	4.1
167.07063	7.1
167.10687	2.1
175.11186	19.1
179.07082	4.6
193.04901	1.7
193.12260	34.8
193.15904	2.6
211.07751	1.7
211.13240	14.4
211.14676	1.6
211.16794	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03947	1.6
53.04244	0.7
55.01871	3.4
55.05514	11.3
57.03435	3.2
57.07070	3.2
58.06621	0.9
59.05003	0.8
63.47843	0.7
65.03936	1.1
66.00619	0.7
67.05506	20.2
68.51855	0.6
69.03435	4.6
69.07073	20.5
70.06598	1.0
71.01372	1.2
71.05009	6.9
71.33968	0.7
71.42430	1.3
79.05495	15.3
81.03426	9.6
81.07060	24.6
82.18967	0.9
83.04981	11.9
83.07736	0.8
83.08626	3.9
85.06550	9.2
91.04913	1.1
91.05488	32.3
93.07050	24.0
95.04974	33.7
95.08608	10.5
96.05286	0.8
97.02886	2.0
97.06525	2.8
98.06088	0.8
99.04459	2.6
99.08114	6.0
103.05499	1.6
105.07037	31.7
107.04980	2.5
107.08598	14.6
108.08920	0.9
109.02901	1.0
109.06522	27.2
109.10164	16.3
110.06850	1.2
111.04485	1.7
111.07156	0.9
111.08081	2.8
113.06005	3.2
117.07040	0.9
119.04916	2.1
119.08578	12.8
121.06512	2.2
121.10137	4.5
123.04456	4.5
123.08047	4.8
123.11680	5.9
125.05988	2.4
125.09643	3.4
126.01096	2.5
127.03910	1.3
127.07558	3.2
128.02678	1.1
129.07036	1.7
131.08578	8.3
133.06483	2.7
133.10139	100.0
134.10495	1.7
135.08092	1.3
135.11673	3.6
137.05980	9.9
137.09619	9.9
137.13210	0.9
139.07530	1.0
140.10710	2.0
147.04405	1.9
147.08018	1.4
147.11699	21.3
149.06004	2.2
149.09572	2.2
149.13316	1.4
151.03912	1.8
151.07588	5.9
151.11197	57.3
152.14355	2.5
153.06949	1.6
155.03419	2.1
155.07037	16.3
155.08279	1.4
155.10663	3.5
157.10143	2.9
161.06032	0.8
165.05525	2.1
165.07106	1.2
165.09091	1.5
165.12767	5.2
167.07042	7.4
168.07431	1.1
168.10245	1.3
169.04930	0.8
169.08624	1.2
170.05801	5.0
175.11208	8.9
175.14845	2.2
179.07056	2.1
181.08559	1.2
183.06517	0.8
183.08043	0.9
184.09799	2.4
193.05009	1.9
193.08562	2.7
193.12253	23.5
193.15910	3.3
194.12453	0.9
205.98824	1.4
211.05659	6.4
211.07549	5.8
211.09364	1.2
211.11382	1.5
211.13249	17.2
211.16888	3.0
212.09193	1.0
212.12889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.096
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03938	4.5
55.01863	4.7
57.03432	2.7
59.42329	1.0
65.03945	2.4
66.04720	2.7
67.05489	4.7
70.63450	3.1
75.04459	1.5
76.61578	0.9
77.03910	1.4
77.90376	1.3
78.04693	1.9
79.05022	1.4
79.05493	27.6
80.06254	1.5
81.03436	1.6
81.07050	2.5
83.04985	1.5
83.06937	0.9
85.02893	1.5
90.04678	3.2
91.05484	31.5
92.06252	2.0
93.03371	1.5
93.07008	2.7
94.04187	2.0
94.07838	1.1
95.04985	5.9
95.05504	1.1
97.06515	2.6
102.04681	1.2
103.05473	20.5
104.06244	2.6
105.03403	2.5
105.04523	2.5
105.07032	57.7
107.04952	14.7
108.05727	4.1
109.02892	1.8
109.06515	7.2
109.10153	1.7
115.05466	7.2
117.07021	1.3
118.04162	31.0
119.04969	12.7
120.05730	6.3
121.06509	10.7
122.03672	1.3
122.07293	9.3
123.04433	6.3
123.08069	7.1
124.05227	3.8
125.05978	1.8
131.04913	3.5
132.05690	1.8
133.06497	57.9
134.07237	4.7
135.04398	13.7
135.08070	10.5
137.05986	15.7
146.03586	6.3
147.04387	3.5
148.05179	3.1
149.06003	15.3
150.06758	40.0
151.07556	15.2
161.05966	10.9
163.03889	1.9
163.07506	2.2
165.09123	38.1
167.07048	18.1
168.14023	1.2
175.07591	1.2
177.05357	1.2
178.06267	4.0
179.07028	11.9
181.08585	1.6
187.04807	1.3
193.08612	100.0
194.08986	1.1
211.09659	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1127
Annotation	p-Lactophenetide
Peak:m/z	Relative Intensity
50.51165	0.6
53.03936	1.5
55.01860	1.8
55.05494	1.6
56.96579	3.2
57.03432	0.5
58.32348	0.5
64.24837	0.5
65.03920	0.7
67.05494	1.6
69.03431	1.3
69.07072	0.9
70.02927	1.0
70.06573	1.0
70.30781	0.6
71.49627	0.6
71.50628	0.8
72.04501	1.6
73.78719	0.5
79.05506	3.5
80.05017	1.1
81.03410	2.5
81.07069	1.1
82.06574	1.1
83.04990	1.2
84.04490	0.7
84.08150	1.0
85.02898	1.0
91.05487	7.9
91.80093	0.6
93.07051	5.4
94.06572	0.9
95.01336	20.2
95.04980	2.7
95.06083	1.2
95.08639	0.7
96.08137	0.7
97.02882	1.0
98.06070	0.8
98.97577	1.3
99.00809	1.2
103.05473	8.6
105.07036	9.5
106.06552	0.9
106.07325	0.6
107.04986	2.9
107.08550	0.9
108.04480	0.8
108.08115	0.9
109.02862	1.4
109.06562	0.8
110.06055	2.1
111.04504	0.9
112.03962	2.6
114.05476	0.9
116.98622	0.9
117.05761	1.4
117.07051	2.9
118.06560	5.7
119.01944	0.8
119.04911	0.6
119.07333	5.7
119.08578	1.3
120.08118	9.7
121.06514	35.2
122.06010	1.3
122.06827	0.9
123.04445	1.2
124.07561	0.9
125.04744	1.2
128.06229	1.3
129.07005	6.5
130.06523	0.7
131.04955	1.9
131.07295	1.5
134.06035	0.7
136.03920	0.9
136.07574	2.8
137.05986	0.8
138.05435	1.1
138.09187	1.3
144.08054	2.0
145.96619	1.2
146.06038	2.7
146.09656	7.0
148.07578	0.9
149.05951	0.6
150.05501	1.9
150.09149	1.0
152.07008	1.2
163.97688	0.6
164.03409	0.8
164.07037	7.4
164.10724	100.0
165.05504	1.4
165.11089	1.3
166.08626	1.3
167.07051	2.6
168.06590	0.7
182.04547	1.8
182.08113	2.0
182.11751	0.6
187.02759	0.9
192.06592	2.8
192.10283	1.3
193.05014	0.6
210.02460	1.0
210.04413	0.9
210.07669	5.8
210.11256	16.3
210.15053	1.9
211.05931	0.7
219.71582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.06067	1.5
53.03936	4.0
55.01857	3.1
55.05513	68.2
59.04992	3.5
67.05510	9.1
69.03423	6.0
69.07065	8.2
70.65863	4.7
71.04985	3.2
71.06463	1.3
77.53384	1.2
79.05480	4.2
81.07052	9.6
83.04982	100.0
83.08161	1.8
83.08624	34.2
85.06535	2.7
91.05463	3.3
93.07046	12.4
95.04971	12.7
95.08605	7.0
97.06548	7.4
97.10176	8.1
102.50645	1.6
105.07035	3.1
107.08605	21.3
109.06538	12.3
109.10150	17.4
111.08072	10.8
113.09648	2.2
121.10152	32.9
123.08038	1.9
123.11715	9.9
125.09628	11.4
130.23949	1.5
131.08549	2.7
133.10094	7.9
135.08069	2.9
135.11670	2.2
145.10066	1.8
149.13255	7.5
151.11192	36.5
153.09084	5.0
163.14856	4.7
167.14320	71.0
173.13231	1.9
188.77519	1.5
191.14285	5.1
209.15347	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03943	2.2
55.01857	2.5
55.05514	67.3
57.03436	2.0
57.07076	1.7
58.81912	1.8
59.04999	4.7
67.05515	7.9
69.03419	6.8
69.07059	6.1
69.46889	1.5
70.79935	4.0
71.05006	2.3
72.53265	1.8
79.05451	4.4
81.07053	12.1
83.04984	100.0
83.08147	2.7
83.08619	36.1
85.06535	3.5
91.05490	3.4
92.91762	1.5
93.07055	11.0
95.04977	11.4
95.08598	5.8
97.06559	7.7
97.10175	10.2
105.07019	4.5
107.08598	22.8
109.06527	9.9
109.10158	26.6
111.08088	13.0
121.10137	20.8
123.08057	1.8
123.11714	12.3
125.09640	18.0
131.08543	1.6
133.10132	6.3
145.10139	2.7
149.13235	6.2
149.78146	1.7
151.11179	35.9
153.09100	4.1
163.14861	2.6
167.14323	72.4
167.69722	1.6
173.13293	2.0
191.14320	4.4
209.15346	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03942	3.3
55.01864	3.3
55.05518	74.9
57.03440	1.7
57.07077	1.3
59.04993	2.4
67.05497	9.0
69.03413	4.7
69.07088	6.2
70.65479	4.4
71.04987	1.7
72.73880	1.3
79.05477	3.7
81.07061	10.6
83.04989	100.0
83.08152	2.4
83.08627	35.3
85.06534	2.0
91.05452	1.7
93.07066	10.3
95.05005	6.9
95.08620	8.3
97.06521	7.5
97.10187	9.6
99.08114	1.1
105.07017	3.9
107.08611	19.1
109.06516	6.1
109.10177	21.4
111.04424	1.4
111.08105	9.1
121.10154	14.0
123.08152	1.6
123.11723	11.7
125.09631	12.5
131.08588	1.8
133.10126	6.1
139.11131	1.2
149.13229	7.1
151.11198	33.9
153.09131	1.3
163.14851	3.1
167.14333	77.7
191.14268	2.1
194.05724	1.8
195.70213	1.3
209.15379	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	8.2
55.01881	20.4
55.05514	25.3
57.03442	3.0
57.07072	8.3
59.04997	3.9
65.03946	14.6
67.05509	12.7
69.03433	8.1
69.07070	9.2
71.04996	6.0
71.06318	3.1
71.33393	1.9
75.04479	9.0
77.03925	2.7
78.04713	8.8
79.05502	17.8
81.03425	4.4
81.07069	19.2
83.04991	30.7
83.08622	10.6
84.08066	1.8
85.02898	7.8
85.06528	2.5
89.03950	4.1
91.05492	55.7
93.03419	25.1
93.07053	27.7
94.79262	1.8
95.04974	24.9
95.08606	17.9
97.02952	2.0
97.06536	18.2
103.05478	20.2
105.03389	3.6
105.04521	6.0
105.07057	13.4
106.04185	70.2
107.04967	6.4
107.08603	23.7
109.06528	100.0
109.10166	17.1
111.04446	4.5
111.08083	6.5
116.00665	1.8
117.03411	5.2
117.07017	4.8
118.04128	2.2
119.04936	5.5
119.08644	4.5
120.05762	2.1
121.06516	71.6
121.10146	21.2
122.07339	3.1
123.04461	4.4
123.08060	13.0
123.11732	5.0
125.06011	17.4
125.09614	8.4
131.04961	7.4
131.05946	2.2
131.08591	9.1
133.02864	2.3
133.06537	4.1
133.10144	24.1
134.03625	12.9
135.04439	6.3
135.08070	30.0
135.11670	4.1
137.05977	9.4
137.09662	12.6
138.06793	4.3
139.07542	5.4
145.02853	6.1
145.10126	5.6
147.04443	2.9
147.11691	5.1
148.05194	6.4
149.04791	4.5
149.05995	85.3
149.09621	6.8
149.13287	11.1
151.03960	3.0
151.07613	4.9
151.11192	39.9
153.05476	9.7
153.09116	19.1
163.07594	6.5
163.11182	4.0
163.14890	5.6
165.05490	5.1
166.06346	2.9
167.07053	3.4
167.14334	17.1
173.13301	6.4
177.05489	42.3
180.07860	2.2
181.08624	18.4
191.07028	7.4
191.10663	3.1
191.14330	33.1
205.04803	1.7
209.04395	4.1
209.08069	18.2
209.09891	2.3
209.11694	6.1
209.13490	3.4
209.15404	27.2
213.27618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02394	2.0
53.03940	10.5
55.01883	18.3
55.05512	26.1
57.03443	14.7
57.07076	12.2
57.33862	2.2
59.05011	3.7
65.03935	5.5
67.05510	22.0
69.03445	24.1
69.07079	12.1
69.70217	6.8
69.70627	4.1
71.04987	6.4
75.04485	4.0
78.04713	5.4
79.05496	25.2
81.03410	8.7
81.07064	33.9
83.04989	39.6
83.08621	14.8
85.02907	4.3
85.06540	8.8
89.03940	2.6
91.05492	33.1
93.03413	9.8
93.07052	33.8
95.04980	23.4
95.08158	1.8
95.08626	22.2
96.05755	2.4
97.02930	2.1
97.06550	14.1
97.10160	2.3
99.04466	3.5
99.08058	2.7
103.05483	11.3
105.04439	1.9
105.07040	16.2
106.04197	25.9
107.04971	13.8
107.07877	3.0
107.08601	45.8
109.06530	40.3
109.10163	14.6
110.64404	1.7
111.04447	3.2
111.08080	13.2
117.03333	3.3
117.07015	6.8
119.04907	3.5
119.08591	12.0
121.06515	39.1
121.10147	28.8
123.04436	2.8
123.08073	11.6
123.11709	10.1
125.06026	10.5
125.09637	54.5
129.07025	2.5
131.04927	7.6
131.08563	14.4
133.10136	16.0
134.03639	4.9
135.04416	3.6
135.08075	27.2
135.11702	17.0
137.05962	5.6
137.09607	5.2
139.07504	2.7
145.02847	5.1
145.10149	17.3
147.04369	2.3
147.08014	2.5
147.11711	7.1
148.05177	4.6
149.06001	31.8
149.09636	29.0
149.13309	13.5
151.03943	2.6
151.07573	2.6
151.11229	17.6
153.05496	5.3
153.09113	24.1
158.10913	2.9
161.09625	2.1
163.07524	4.0
163.11226	11.3
163.14822	8.0
165.12793	12.0
167.14331	20.8
173.09647	2.8
173.13275	18.1
177.05482	21.8
181.08620	6.9
191.07042	6.2
191.10669	8.7
191.14326	83.0
194.05719	2.8
209.04349	3.7
209.07979	17.9
209.09904	3.0
209.11568	9.3
209.15375	100.0
223.11473	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	3.4
55.05503	10.0
57.07081	2.8
59.05011	2.4
67.05502	7.7
69.03425	5.3
69.07066	6.5
69.85377	5.2
69.85768	6.1
71.82529	2.2
79.05481	7.3
81.07060	14.9
83.04979	12.3
83.08616	4.5
84.29458	2.1
91.05498	11.7
93.03417	2.2
93.07042	6.6
95.04960	7.5
95.08592	6.4
97.06523	2.8
100.72009	2.3
105.07035	12.5
107.04926	2.5
107.08606	29.3
109.06519	18.1
109.10176	10.2
115.05449	5.1
117.07016	5.4
119.08597	6.9
121.06478	5.6
121.10168	20.5
122.07298	8.0
123.11694	2.2
131.08546	2.3
133.10139	100.0
133.77043	2.1
135.08061	29.9
135.11690	2.7
137.09628	82.4
149.05997	2.2
149.09616	2.8
149.13284	13.1
151.11238	5.4
153.09010	2.2
161.48860	2.1
167.14330	7.8
173.13278	6.3
177.05534	3.0
191.14345	5.8
209.15381	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.04604	0.6
53.03951	2.0
55.01875	5.8
55.05513	37.7
56.96561	1.5
57.03436	3.7
57.07079	3.3
59.05008	3.4
65.03944	1.8
65.42966	0.7
67.05501	11.5
69.03441	4.7
69.07071	6.8
71.02958	1.9
71.04987	3.6
75.57777	0.7
75.58434	0.7
78.04706	1.0
79.05492	12.4
81.03417	1.2
81.07057	23.4
82.06600	1.6
83.04982	47.5
83.08624	22.7
85.06542	4.4
91.05480	10.1
91.05946	0.9
93.03415	2.0
93.07053	16.3
95.04965	20.4
95.08609	9.3
97.05915	1.7
97.06533	27.2
97.10171	4.9
99.04454	3.9
99.08097	1.6
100.11269	3.2
103.05471	3.2
105.07033	9.2
106.04179	4.1
107.04964	2.1
107.08604	23.2
109.06520	100.0
109.10163	28.2
110.06026	0.9
110.06831	0.8
111.04371	0.8
111.08072	7.6
113.09650	1.3
117.07022	1.2
119.08588	4.1
121.06508	7.4
121.10143	22.2
123.08075	5.9
123.11705	7.9
125.05995	2.7
125.09637	7.9
129.07043	1.0
131.04900	1.2
131.08563	5.0
133.10133	22.0
134.03648	0.8
135.08052	7.6
135.11714	3.8
137.05948	1.0
139.08620	1.0
139.11182	1.4
145.02826	1.3
145.10115	2.8
147.11662	2.1
149.05986	7.5
149.09619	13.0
149.13264	8.2
151.11182	15.8
153.05534	1.8
153.09108	24.1
158.10930	1.5
163.11230	1.2
163.14809	4.7
167.07057	1.1
167.10922	2.3
167.14314	37.0
173.13271	8.6
176.11502	1.1
177.05470	4.8
191.06989	1.2
191.10616	0.9
191.12408	1.0
191.14322	15.8
209.07997	4.5
209.15344	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03954	2.2
55.01862	2.5
55.05513	6.5
57.03437	6.0
57.07060	3.4
59.04991	2.6
62.47043	1.0
65.03931	1.4
67.05506	8.7
69.03414	2.8
69.07066	6.3
70.02286	3.2
71.04999	7.2
72.93926	0.8
74.37836	0.8
78.04714	0.9
79.05494	11.6
81.07056	21.8
83.04985	8.1
83.08620	7.0
85.06546	3.3
91.05476	9.1
93.03386	2.7
93.07049	15.9
95.04973	41.9
95.08599	5.7
95.97372	0.9
97.06531	26.2
99.04456	8.6
99.08077	1.5
103.05465	2.0
105.07024	11.3
106.04182	4.5
107.04952	1.9
107.08602	18.3
109.06519	100.0
109.10154	19.4
111.08078	8.4
117.07010	2.6
119.08570	3.9
121.06512	6.1
121.09330	1.5
121.10152	19.3
123.08051	6.7
123.11691	2.5
125.05977	1.0
125.09588	3.4
130.75377	1.0
131.04903	1.2
131.08572	6.2
133.10129	24.6
135.04428	1.1
135.08043	10.8
135.11673	3.6
137.05925	1.6
139.11267	1.5
143.08525	1.1
145.02855	1.3
145.10104	3.7
147.11674	2.8
149.05946	6.3
149.09598	3.1
149.13286	5.4
151.11206	4.3
151.16043	0.9
153.07918	1.8
153.09108	30.7
158.10854	1.3
163.14830	3.9
167.07133	1.1
167.14330	4.4
173.13246	9.6
177.05484	4.1
191.07025	1.8
191.10788	1.4
191.14310	22.4
209.04619	1.2
209.08125	2.6
209.13371	1.0
209.15372	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.63557	2.2
51.31511	2.4
53.03943	10.6
54.38076	2.9
55.01875	23.2
55.05514	62.4
55.16561	2.7
57.03432	7.5
57.07087	13.2
59.04984	3.1
65.03933	6.3
65.99383	2.3
67.05505	31.8
68.41438	2.2
68.99764	3.5
69.03435	30.3
69.06798	2.2
69.07079	28.9
71.04993	15.6
75.04482	3.1
78.04728	3.8
79.05084	2.3
79.05502	34.3
81.03416	5.1
81.07064	39.9
83.04987	69.7
83.08234	2.4
83.08640	26.0
85.02911	5.0
85.06537	11.3
89.03937	3.3
91.05484	38.9
93.03410	8.4
93.06479	4.0
93.07047	55.7
93.62129	2.3
94.06612	2.8
95.04371	4.8
95.04974	89.4
95.08613	30.9
97.02895	2.7
97.06538	18.8
97.10184	20.5
97.95389	2.4
99.04459	15.1
99.08102	16.8
103.05494	15.7
105.03453	3.4
105.04418	2.6
105.07051	25.2
106.04188	24.9
106.07308	2.6
107.04961	14.5
107.07870	4.7
107.08598	73.4
109.06527	37.6
109.10168	33.8
111.04447	4.7
111.08081	18.4
113.06009	7.0
117.03407	4.2
117.07011	5.6
119.04927	6.3
119.08565	7.6
121.06525	43.0
121.09328	4.7
121.10152	60.0
123.04415	3.7
123.08094	13.5
123.11755	14.5
125.05992	17.1
125.09635	100.0
127.07545	3.2
129.06992	3.1
131.04927	6.7
131.08583	28.1
133.06479	3.3
133.10132	19.9
134.03636	6.2
134.09183	3.2
135.04405	6.2
135.08083	25.1
135.11687	15.1
136.05040	2.8
137.05984	4.3
137.09631	6.2
139.07668	11.9
139.11195	5.3
143.08543	3.1
145.02869	5.9
145.06526	2.7
145.10121	17.0
147.04446	3.5
147.08023	4.1
147.11658	7.6
148.05185	8.1
148.11185	6.3
149.04909	4.5
149.05994	35.0
149.09631	85.4
149.11440	12.0
149.13274	27.9
151.07533	6.6
151.11198	57.0
153.05423	7.5
153.09119	46.4
154.09865	2.9
158.10905	5.0
163.03920	4.7
163.07571	8.9
163.11179	10.0
163.14853	18.7
165.05481	3.5
165.09088	3.9
165.12804	6.3
167.07033	10.6
167.10661	3.6
167.14314	32.5
167.96471	3.3
173.13268	16.4
176.04810	2.7
177.00275	2.4
177.05482	22.0
179.20462	2.4
181.08569	8.9
191.06929	5.5
191.10703	13.3
191.14314	50.2
194.00201	3.7
194.12813	2.9
209.04408	3.7
209.06226	2.4
209.08130	40.4
209.09947	5.7
209.11638	15.6
209.13835	3.8
209.15388	98.3
209.17372	6.2
210.11108	3.4
214.76859	2.4
222.94754	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	8.6
54.26260	1.8
55.01876	17.0
55.05520	18.0
57.03430	6.7
57.07081	4.4
59.05016	2.6
65.03942	6.6
67.05513	21.4
68.98882	2.1
69.03435	8.3
69.07074	16.7
70.76678	4.6
71.04994	7.5
75.04491	5.5
77.03916	2.8
78.04732	4.1
79.05497	27.2
81.03423	2.7
81.07062	40.9
83.04988	20.1
83.08618	12.8
85.02910	4.6
85.06538	6.3
91.05495	39.1
93.03407	14.3
93.07054	39.6
95.04977	69.7
95.08619	29.3
97.06545	33.9
97.10165	6.5
97.25002	2.1
98.21410	2.7
99.04482	9.3
103.05478	9.2
105.07022	17.7
106.04188	32.6
107.04956	5.8
107.08599	56.8
109.06527	100.0
109.10164	28.2
110.88486	1.9
111.04420	3.1
111.08065	9.8
115.05470	2.2
117.03407	3.4
117.07008	3.2
119.08572	7.9
121.06517	43.5
121.10140	27.8
123.07300	2.2
123.08049	10.7
123.11723	9.9
125.06033	11.5
125.09668	11.5
129.07047	2.8
131.04930	5.8
131.08577	12.1
133.10149	22.2
134.03650	5.0
135.08063	25.8
135.11693	5.4
137.05981	3.3
138.06859	2.9
139.07552	4.5
145.02879	4.9
145.10106	6.8
147.04413	2.6
147.11691	8.3
148.05228	5.4
149.05991	43.8
149.09668	11.7
149.13277	15.7
151.11189	10.5
153.05476	3.2
153.09113	36.0
159.04414	2.4
163.07527	2.7
163.14807	18.1
166.06360	2.1
167.07060	4.0
167.14377	7.0
173.13271	20.4
177.05487	24.0
181.08595	7.3
191.07056	4.2
191.14322	41.4
209.04477	2.1
209.08066	16.9
209.15387	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	2.3
55.01867	3.4
55.05513	11.6
57.03439	4.7
57.07071	3.2
59.05003	1.6
65.03938	1.8
67.05507	11.2
69.03448	4.1
69.07071	10.9
69.74238	5.2
71.05001	8.4
77.03909	1.0
78.04713	0.8
79.05499	24.2
80.05840	0.8
81.03416	1.0
81.07065	20.9
83.04985	17.8
83.08624	8.0
85.06578	1.6
91.05492	14.1
93.07052	20.9
95.04981	22.0
95.08608	6.0
97.05919	1.5
97.06538	25.8
97.10147	0.9
99.04462	4.4
103.05490	1.5
105.07043	14.0
107.04962	7.6
107.08602	31.9
107.63023	0.7
109.06527	100.0
109.10163	22.4
109.69846	0.9
111.04449	1.3
111.08099	6.0
113.06028	1.3
116.06245	1.4
117.07027	3.5
119.06033	0.8
119.08592	5.1
121.06520	14.6
121.10159	25.0
123.08080	5.9
123.11706	2.6
125.05989	3.2
125.09653	3.0
129.06993	1.5
129.34839	0.8
130.07771	1.3
131.08575	35.8
132.08995	0.8
133.10147	16.5
135.04393	2.3
135.08060	12.0
135.11739	2.9
135.88919	1.1
139.07526	2.0
145.10129	14.7
147.08040	1.7
147.11685	2.6
149.05980	2.4
149.09630	25.2
149.10759	1.7
149.13239	4.5
151.07594	1.2
151.11197	7.3
152.67780	0.8
152.80577	0.9
153.01833	1.1
153.05505	5.0
153.09111	23.3
158.10928	1.1
163.03908	1.1
163.07532	0.9
163.11209	9.1
163.14851	5.0
165.09146	1.1
167.07059	2.4
167.10684	1.1
167.14343	7.9
173.09729	1.4
173.13287	8.0
177.05467	1.1
178.06294	1.0
181.08606	1.2
191.10677	12.2
191.14323	13.2
209.04425	3.0
209.08087	1.9
209.11746	15.3
209.15344	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	3.5
55.01870	5.8
55.05518	70.7
57.03426	5.7
57.07076	6.0
59.04993	9.1
59.96985	1.9
65.03949	2.1
67.05508	15.7
69.03425	7.1
69.07082	12.6
70.95187	3.9
71.04983	8.9
74.76298	2.4
79.05483	18.3
81.03447	2.6
81.07062	29.4
83.04988	98.3
83.08626	37.4
85.06525	5.4
89.06026	6.7
91.05476	15.3
93.07047	30.9
95.04977	55.6
95.08614	18.2
97.06526	15.0
97.10179	6.8
99.04464	7.8
103.05438	4.9
105.07013	14.0
106.04150	3.1
107.04968	3.3
107.08601	43.5
109.06525	100.0
109.10167	28.8
111.08118	12.0
112.05025	2.1
113.09633	2.7
119.08572	5.8
121.06505	9.9
121.10151	56.6
121.11035	2.7
123.08044	10.7
123.11712	16.1
125.09624	13.1
131.08575	11.8
133.10149	23.7
135.08083	20.4
135.11679	5.1
145.10152	6.3
147.11684	3.4
149.05971	5.8
149.09637	8.4
149.13266	13.7
151.11211	35.9
153.05489	2.8
153.09108	24.1
159.73438	2.2
163.14859	11.5
167.14333	64.8
173.13254	12.0
177.05479	4.5
181.08675	2.5
191.07066	3.3
191.14314	25.6
209.08072	8.7
209.11511	3.8
209.15378	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.98234	1.2
52.65925	1.1
53.03940	4.2
55.01876	8.8
55.05515	9.9
57.03440	6.2
57.07053	2.7
57.20658	1.5
65.03939	2.2
66.78813	1.3
67.05509	11.9
69.03419	3.8
69.07073	17.5
70.06593	1.3
70.90884	2.0
71.04997	24.5
77.03913	1.9
79.05495	48.6
81.07056	12.8
83.04984	16.3
83.08611	4.6
85.06544	1.6
91.05482	30.7
93.07048	51.1
95.04973	22.6
95.08597	3.7
97.06535	11.0
99.04459	3.7
103.05463	5.2
105.04519	1.4
105.07033	29.1
106.04160	1.8
107.04959	19.9
107.08598	55.8
109.02846	1.7
109.06517	16.4
109.10172	6.7
111.04440	4.1
111.08042	1.9
114.10262	1.5
115.05437	1.5
115.07574	2.1
116.06248	2.0
117.03418	1.3
117.07024	6.6
119.08589	10.3
121.06515	39.6
121.10148	46.7
123.04442	1.8
123.08062	5.0
123.11686	1.4
125.05984	9.5
125.09647	3.6
129.06981	4.1
130.07732	3.0
131.08572	100.0
133.10126	4.3
135.04433	2.9
135.08035	4.3
135.11674	5.1
137.05975	2.2
139.07521	2.5
141.05455	3.7
143.08545	2.1
145.10132	36.2
147.08023	3.9
147.11696	4.9
148.05136	1.3
149.05997	8.7
149.09625	72.7
149.13206	1.4
150.12772	2.6
151.07527	3.1
151.11214	3.9
153.05470	13.7
153.09096	8.0
155.07057	1.4
163.03864	1.6
163.07547	2.5
163.11188	21.7
163.14789	2.4
165.09114	4.0
166.00835	1.8
167.07016	5.5
167.10661	3.8
167.14319	5.4
167.52597	1.3
167.55612	1.6
173.09602	3.9
173.13280	2.8
173.63617	1.3
177.05493	3.7
178.06256	1.6
181.08621	1.7
191.07076	2.2
191.10672	32.4
191.14287	8.5
194.00320	9.4
194.02008	2.9
209.02664	6.7
209.04465	5.3
209.08147	4.6
209.09761	2.8
209.11734	49.9
209.15384	12.0
209.17354	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	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03942	7.3
53.30872	1.2
55.01665	1.2
55.01873	13.0
55.05510	6.7
57.03435	3.7
57.07076	1.3
65.03946	15.0
67.05513	8.1
69.03423	2.2
69.07055	3.5
70.06594	1.2
70.66306	2.6
70.66664	2.2
71.04985	3.1
75.04485	9.6
75.58776	1.1
77.03920	4.0
78.04713	11.5
79.05499	12.1
81.03394	2.2
81.07051	7.3
83.04996	9.4
83.08604	2.5
85.02906	12.1
85.06538	1.5
89.03920	6.6
89.06008	2.7
91.05484	47.5
93.03408	37.8
93.06485	1.7
93.07050	19.9
94.04212	1.4
95.04977	23.0
95.08583	4.6
97.06534	13.0
99.04460	2.8
103.05472	17.0
105.03384	2.6
105.04510	4.6
105.07039	7.8
106.04180	92.8
107.04985	7.1
107.08594	11.8
109.06522	9.3
109.10114	3.1
111.04424	2.2
111.08072	3.2
111.18804	1.2
117.03419	5.9
119.04939	5.3
119.06103	1.4
119.08566	1.4
120.05736	2.3
121.06506	81.4
121.10123	7.9
122.03640	1.8
122.07307	2.9
123.04432	5.5
123.08076	3.4
124.05188	1.5
125.05991	25.7
125.09660	2.9
131.04930	4.8
131.06046	1.7
131.08577	2.8
133.06456	2.7
133.10141	3.0
134.03648	13.6
135.04373	2.6
135.08028	5.4
135.11652	2.4
137.05977	11.4
138.06746	4.0
139.07516	6.3
145.02850	6.6
147.04433	2.3
147.11728	1.7
148.05225	7.2
149.05983	100.0
149.09633	2.8
149.13231	5.2
151.07520	5.0
151.11182	4.8
153.05470	5.5
153.09105	20.3
162.03156	1.8
163.03879	2.0
163.07536	7.7
163.11191	1.3
163.14861	2.6
165.05492	2.2
166.06224	2.2
167.07048	3.4
167.14325	2.8
173.13194	2.4
176.14319	2.3
177.05472	36.0
181.08601	18.9
191.06941	7.3
191.10724	2.0
191.14325	5.1
194.00374	2.2
209.02731	2.8
209.04488	5.7
209.08083	27.1
209.11491	1.8
209.15396	13.9
223.28003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03943	7.6
55.01673	0.9
55.01878	11.0
55.05516	7.2
56.72595	0.8
57.03439	1.5
65.03940	15.3
67.05504	7.5
69.03410	3.3
69.07059	2.2
69.85592	2.0
69.85986	2.5
71.04974	2.0
75.04485	12.1
77.03922	2.2
78.04713	11.8
79.05490	11.1
81.03410	2.0
81.07063	4.8
82.04193	2.2
83.04984	8.4
83.08619	2.7
85.02913	12.3
85.06551	2.3
89.03935	6.7
89.06044	2.4
91.05486	47.7
91.40659	0.9
93.03407	37.4
93.07050	21.1
95.04974	26.4
95.08607	4.4
96.05781	1.3
97.06534	15.5
98.20718	0.9
99.04447	2.7
102.71138	0.9
103.05463	16.6
105.03385	2.4
105.04517	5.3
105.07046	6.7
106.04176	93.1
107.04985	5.3
107.08591	11.6
108.02101	1.3
108.05743	1.5
109.06519	7.5
109.10154	3.1
111.04449	1.6
111.08077	2.7
117.03374	5.4
118.04086	1.0
119.04922	5.3
119.08548	1.8
120.05720	1.6
121.06512	78.0
121.10137	7.9
122.03661	1.2
122.07326	2.1
123.04456	5.3
123.08087	4.9
123.11774	1.0
124.05206	2.0
125.05997	26.9
125.09620	2.0
131.04910	3.4
131.08626	1.3
133.02817	1.1
133.06549	2.6
133.10126	4.2
134.03632	14.7
135.04401	3.5
135.08041	2.9
135.11673	2.0
136.05217	1.0
137.05995	10.9
137.09605	1.4
138.03082	1.2
138.06767	2.6
139.07538	6.3
145.02809	5.7
145.10127	2.2
147.04402	1.9
147.11665	1.2
148.05190	8.8
149.05988	100.0
149.09648	2.4
149.13205	4.6
151.03897	1.5
151.07579	4.7
151.11223	4.5
152.08379	1.7
153.01874	1.3
153.05490	9.0
153.09093	19.4
162.02983	1.3
163.03947	2.5
163.07529	5.1
163.11176	1.0
163.14819	3.7
165.05496	2.3
166.06183	4.3
167.07024	3.5
167.14359	5.2
173.13293	2.1
176.04701	1.5
177.05484	35.1
181.08592	19.1
182.09152	1.1
191.07050	5.0
191.14258	4.5
194.05753	2.1
209.04524	6.3
209.08087	25.3
209.09940	1.6
209.11397	1.3
209.15358	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	208.1334
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
51.67382	0.5
53.03944	0.9
55.01862	0.7
58.06604	10.0
59.07388	5.1
60.08167	27.7
60.14765	0.5
65.03957	0.7
65.88775	0.6
70.78577	1.7
73.65458	0.5
77.03912	0.6
79.05496	16.4
91.05471	2.0
92.05813	2.3
93.07037	1.6
103.05473	64.4
104.05782	0.9
105.07017	2.0
107.04961	42.3
111.04433	0.7
119.04950	0.8
120.05293	2.1
121.06513	3.3
122.01814	0.5
124.07573	1.1
124.12034	0.6
131.04935	51.3
132.05321	0.8
148.04770	1.7
149.05998	14.0
162.05481	0.6
175.03532	0.6
176.04349	3.3
182.33670	0.5
193.04491	0.8
208.06741	1.6
208.13336	100.0
209.13647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97529	0.3
57.07105	0.3
58.99861	1.5
68.98324	0.6
69.03445	0.5
71.50685	0.6
77.00946	1.0
79.05519	0.5
79.29254	0.3
80.05052	0.8
81.03424	2.1
82.01466	0.3
86.99348	0.7
94.12177	0.3
97.01404	0.4
100.00074	0.4
100.02531	1.2
101.00883	1.5
103.00662	0.7
103.02457	0.8
108.04523	0.9
109.02885	2.5
113.00880	0.9
113.84492	0.3
115.02420	1.8
118.01141	0.5
119.01920	3.4
120.02064	0.8
121.01698	2.5
126.05528	0.4
129.03970	1.9
131.01909	3.0
131.05569	0.3
133.03467	0.8
137.02959	0.9
139.02402	3.0
140.03731	0.6
141.03951	1.6
142.03474	0.4
143.01926	0.9
143.33269	0.4
144.02174	0.3
144.03232	1.6
144.05045	0.5
145.03488	1.2
147.05063	0.9
149.00890	1.3
149.02957	0.6
155.01912	0.7
156.05046	0.4
157.01584	0.5
157.03477	10.3
159.01434	0.6
159.05016	3.4
161.02957	1.5
162.03091	3.3
162.04340	0.9
167.01888	11.8
168.05061	0.4
173.02980	0.9
175.04582	2.2
177.06061	1.1
177.07666	0.4
179.04175	0.4
180.05090	1.1
182.06592	1.1
184.02887	0.4
184.04581	1.2
185.02960	100.0
185.04503	3.5
185.06502	2.2
186.03055	2.3
186.06171	0.6
187.03409	0.5
190.03461	2.6
196.04651	0.4
198.06197	0.4
203.02225	2.8
203.04004	23.1
203.07634	1.7
208.04550	26.8
208.09741	0.8
209.04709	1.0
221.03174	0.6
221.05038	1.8
226.03760	0.5
226.05611	3.7
226.09172	0.5
227.03908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.64398	1.6
53.03929	3.8
53.05502	1.4
55.01864	5.6
55.05519	9.1
55.35862	1.6
57.03424	2.5
57.07061	7.1
63.02370	2.2
65.03940	11.9
65.04227	1.7
67.05508	42.7
69.03435	60.5
69.06731	2.2
69.07070	23.5
70.16943	3.7
70.17333	3.7
71.04985	6.4
77.03934	2.4
79.05495	20.9
80.56216	1.8
81.03416	8.7
81.07059	27.2
83.04997	13.0
83.08618	5.4
85.02895	10.7
85.06548	3.2
89.03911	4.0
91.05486	100.0
91.45636	1.5
93.07046	25.3
95.04970	29.8
95.08611	37.6
97.02894	4.5
97.06542	12.9
98.62279	1.6
103.05454	3.5
104.02621	2.0
105.03424	2.9
105.06399	2.9
105.07041	43.5
107.04973	8.6
107.08592	21.8
109.06525	19.8
109.10170	12.3
110.07294	6.6
111.08105	10.1
115.05469	3.5
117.07016	9.7
117.32423	1.6
118.04155	11.9
119.04955	75.8
119.08589	41.6
121.02869	3.1
121.06522	7.9
121.10146	28.2
123.04435	51.2
123.05330	3.0
123.08067	24.3
123.11704	6.9
125.09594	2.6
128.06256	2.1
129.03360	2.9
129.06975	5.4
130.07799	2.7
131.04987	2.5
131.08527	7.0
132.02109	9.4
133.06514	8.9
133.10138	62.5
135.04404	3.0
135.08060	4.9
135.11696	5.9
136.05176	3.1
137.05995	16.1
137.09602	12.5
143.08578	5.1
144.69618	1.9
145.10149	11.5
146.03687	9.1
147.04414	62.9
147.08080	11.6
147.11700	21.9
149.02351	14.4
149.06021	2.2
149.09634	22.8
151.07532	10.2
151.11171	2.8
156.09370	11.3
157.03979	7.7
159.11696	7.1
161.05963	15.3
161.09639	8.9
161.13257	25.1
163.03894	3.4
163.07547	25.7
163.11174	18.6
164.04706	11.5
165.09158	3.3
165.12746	4.8
171.11655	10.0
174.03130	9.4
174.06706	2.5
174.10428	7.5
175.03920	80.3
175.06984	15.2
177.12740	2.7
179.07001	10.6
179.12796	2.4
179.14284	3.4
189.09131	11.9
189.12741	29.5
192.04155	25.4
207.06520	54.8
207.09750	5.1
207.13809	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.32801	2.7
55.05500	8.8
56.76138	2.6
65.03950	2.7
66.37785	2.5
67.05515	16.9
69.03419	7.6
69.07039	2.7
69.20536	26.6
79.05486	9.0
81.06627	2.5
81.07059	17.2
83.04962	5.9
85.02911	100.0
85.06544	6.1
91.05481	24.4
93.07058	12.9
95.04981	3.6
95.08617	45.5
105.07027	36.8
107.04929	4.0
107.08598	19.4
109.06503	11.5
109.10177	13.3
117.07011	5.3
119.04929	7.2
119.08584	37.4
121.06485	5.1
121.08405	3.9
121.10133	25.4
123.08087	32.0
123.11720	63.7
124.43472	3.2
125.05977	8.4
128.06206	2.9
129.06995	4.1
130.07744	3.7
131.08575	17.7
133.10136	8.0
137.09621	5.4
141.06984	4.1
143.08600	6.4
145.10144	14.1
146.10898	3.8
147.04420	7.9
147.08073	15.1
147.11693	44.0
149.09621	44.5
151.07532	7.8
151.14853	3.3
156.09370	13.7
159.08064	4.8
160.08864	5.6
161.06018	16.9
161.09630	7.9
161.13252	14.0
163.11208	6.1
164.04695	2.9
165.12747	7.4
171.11684	4.9
174.10437	9.6
175.03897	7.3
189.09129	5.5
189.12735	43.4
198.48918	3.2
207.06546	7.1
207.13811	89.8
207.15768	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.31694	0.6
51.02383	1.4
53.03949	7.3
55.01875	1.7
55.05513	7.7
58.37345	0.6
64.54147	0.6
65.03934	1.9
67.05507	28.9
69.03397	0.6
69.07063	6.4
69.34690	5.9
71.05005	3.3
73.06566	0.9
77.03932	2.1
79.05496	47.9
80.05824	1.0
81.03432	1.1
81.07059	23.1
83.04990	3.9
83.08624	2.7
85.06555	3.3
91.05485	56.4
92.05814	0.9
93.07047	100.0
94.07396	0.7
95.04967	11.5
95.08614	9.2
97.06534	2.6
97.10160	1.0
99.08067	0.8
103.05491	1.0
105.04554	4.2
105.07034	28.9
107.08597	11.1
109.06529	4.2
115.96436	2.2
116.97175	1.2
117.07018	5.1
119.04986	1.3
119.08581	17.2
121.06531	2.1
121.10166	2.9
123.08079	4.3
127.07596	1.1
128.06227	2.1
129.07013	9.9
131.08620	2.0
133.06433	0.7
133.10126	6.0
137.09584	0.9
143.08589	5.3
145.10135	8.4
147.04463	1.0
147.08075	2.5
147.11690	54.3
148.12056	1.2
149.14911	0.6
151.07544	0.8
156.09439	0.8
161.09604	4.1
161.13272	9.0
163.03949	0.7
171.11699	19.0
189.12749	10.1
192.09615	0.7
207.06496	0.9
207.11748	0.9
207.13811	20.6
207.15775	1.3
208.14027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03949	8.1
55.01867	2.0
55.05514	7.9
60.01402	0.8
65.03945	2.2
67.05508	25.6
69.07076	7.3
70.56531	1.4
70.56873	1.2
71.05005	2.4
72.18720	0.8
73.06554	1.1
77.03922	3.0
79.05500	50.0
81.03419	1.7
81.07062	25.4
83.04342	0.6
83.04989	2.6
83.08632	2.7
85.02896	1.1
85.06535	2.4
91.05489	56.5
93.07051	100.0
94.07378	1.0
95.04978	11.2
95.08607	7.5
97.06568	2.0
97.10150	1.6
99.04473	0.7
102.57218	0.7
103.05473	1.3
105.04531	4.4
105.07037	28.2
107.04982	1.3
107.08603	10.5
107.67583	0.7
108.05696	0.8
109.06509	3.8
111.08055	1.4
113.06061	0.9
115.96423	1.9
117.07032	4.8
117.84531	0.7
118.04183	0.8
119.04967	3.1
119.08591	18.3
121.06506	3.6
121.10169	1.9
123.04466	1.5
123.08069	2.9
127.07549	1.1
128.06281	2.3
129.07021	8.8
130.07805	1.3
131.08568	2.0
133.06540	1.0
133.10144	5.4
136.05202	1.9
143.08551	5.4
145.10143	8.7
146.03668	1.2
147.04434	4.2
147.08086	1.9
147.11703	57.8
148.12073	0.9
149.02391	3.7
151.07555	2.0
161.05946	0.7
161.09660	3.4
161.13277	7.7
163.03989	2.1
164.04720	5.8
171.11707	20.7
174.03181	1.5
175.03812	0.9
177.05559	0.8
179.07080	4.0
189.12758	10.8
189.14413	0.9
192.04189	2.0
207.06517	12.0
207.13815	20.8
207.15761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1178
Annotation	Bellendine
Peak:m/z	Relative Intensity
55.01874	0.3
55.05520	0.3
56.96559	0.3
65.03933	0.6
67.05504	1.0
69.03416	0.3
71.50705	0.3
73.02891	0.4
79.05482	0.5
91.05487	4.7
93.05798	0.4
93.07071	1.1
95.04949	0.6
95.08620	0.3
103.05467	0.9
103.60092	0.2
105.07036	0.9
106.06595	0.3
107.04931	0.3
107.08624	0.6
115.05457	0.5
116.05320	0.3
117.05708	0.3
117.07030	1.0
118.04174	0.3
118.05702	0.5
118.06551	9.9
119.04964	3.4
119.07337	7.0
119.08599	0.9
120.08113	4.6
121.06520	0.8
122.06859	0.5
132.08115	2.1
133.08855	0.9
134.09660	33.2
135.10004	0.5
143.08597	0.3
144.08028	0.5
145.08881	0.2
146.06029	0.8
146.09677	0.4
147.04410	2.9
147.08127	0.3
149.02353	1.0
150.02661	0.8
150.09248	0.3
160.11234	3.5
161.06009	0.4
161.09583	0.3
161.11954	1.6
174.03142	0.3
175.03897	2.7
178.04909	0.3
178.08672	0.7
179.07074	0.4
188.07132	0.8
190.08644	7.1
191.09422	2.3
192.04190	0.6
206.11772	100.0
207.06477	1.5
207.10233	0.5
207.12093	2.1
220.89662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64398	1.6
53.03929	3.8
53.05502	1.4
55.01864	5.6
55.05519	9.1
55.35862	1.6
57.03424	2.5
57.07061	7.1
63.02370	2.2
65.03940	11.9
65.04227	1.7
67.05508	42.7
69.03435	60.5
69.06731	2.2
69.07070	23.5
70.16943	3.7
70.17333	3.7
71.04985	6.4
77.03934	2.4
79.05495	20.9
80.56216	1.8
81.03416	8.7
81.07059	27.2
83.04997	13.0
83.08618	5.4
85.02895	10.7
85.06548	3.2
89.03911	4.0
91.05486	100.0
91.45636	1.5
93.07046	25.3
95.04970	29.8
95.08611	37.6
97.02894	4.5
97.06542	12.9
98.62279	1.6
103.05454	3.5
104.02621	2.0
105.03424	2.9
105.06399	2.9
105.07041	43.5
107.04973	8.6
107.08592	21.8
109.06525	19.8
109.10170	12.3
110.07294	6.6
111.08105	10.1
115.05469	3.5
117.07016	9.7
117.32423	1.6
118.04155	11.9
119.04955	75.8
119.08589	41.6
121.02869	3.1
121.06522	7.9
121.10146	28.2
123.04435	51.2
123.05330	3.0
123.08067	24.3
123.11704	6.9
125.09594	2.6
128.06256	2.1
129.03360	2.9
129.06975	5.4
130.07799	2.7
131.04987	2.5
131.08527	7.0
132.02109	9.4
133.06514	8.9
133.10138	62.5
135.04404	3.0
135.08060	4.9
135.11696	5.9
136.05176	3.1
137.05995	16.1
137.09602	12.5
143.08578	5.1
144.69618	1.9
145.10149	11.5
146.03687	9.1
147.04414	62.9
147.08080	11.6
147.11700	21.9
149.02351	14.4
149.06021	2.2
149.09634	22.8
151.07532	10.2
151.11171	2.8
156.09370	11.3
157.03979	7.7
159.11696	7.1
161.05963	15.3
161.09639	8.9
161.13257	25.1
163.03894	3.4
163.07547	25.7
163.11174	18.6
164.04706	11.5
165.09158	3.3
165.12746	4.8
171.11655	10.0
174.03130	9.4
174.06706	2.5
174.10428	7.5
175.03920	80.3
175.06984	15.2
177.12740	2.7
179.07001	10.6
179.12796	2.4
179.14284	3.4
189.09131	11.9
189.12741	29.5
192.04155	25.4
207.06520	54.8
207.09750	5.1
207.13809	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73428	0.2
54.81633	0.2
68.99780	0.7
70.02940	0.8
70.44779	1.0
70.83281	0.3
77.03924	0.3
78.50213	0.3
79.05474	0.6
81.03415	0.4
81.07082	0.5
87.00829	2.3
91.05488	4.5
93.07059	3.0
95.04950	0.3
97.02908	0.3
103.05477	15.4
105.07035	0.8
107.08631	0.3
107.13530	0.3
109.06542	0.3
115.05472	0.4
115.46422	0.3
116.05360	0.3
117.05809	0.4
117.18331	0.3
118.06556	17.9
119.04991	1.7
119.08641	0.4
120.08115	100.0
121.06516	0.6
121.08448	0.9
128.04999	1.6
132.08058	0.3
135.91902	0.3
144.04395	0.4
146.06026	14.1
146.10529	0.3
147.04420	1.4
149.02344	0.5
149.09579	1.6
150.02727	0.3
154.05014	0.8
160.07594	0.5
161.05984	2.9
161.09698	0.5
164.07047	0.3
164.11600	0.3
174.03128	0.3
175.03894	1.5
178.08644	0.5
188.07100	9.2
188.08839	0.5
189.09146	0.8
189.12704	0.4
191.14430	0.4
192.04204	0.6
206.04552	0.7
206.08116	5.8
206.11841	0.8
207.06519	1.1
207.13849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50369	0.1
65.03943	0.1
67.05492	0.1
69.03411	0.2
71.02700	0.2
81.07041	0.1
81.93227	0.1
86.62953	0.1
91.05474	0.5
95.04961	0.2
98.97575	0.1
103.05489	0.1
105.07016	0.2
106.06532	0.1
109.62467	0.1
119.04939	0.4
119.06051	0.7
121.10079	0.1
123.04438	0.1
131.06055	0.3
132.06847	0.9
146.07140	1.6
147.04408	0.1
147.05531	0.2
149.02332	0.2
150.02687	0.2
154.04977	0.2
156.96263	0.1
159.04280	1.8
161.05986	0.1
173.05756	0.2
174.06636	100.0
175.03809	0.2
175.07007	1.3
206.09268	23.9
206.15475	0.4
207.06458	0.3
207.09662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
51.01980	0.7
51.93620	0.6
53.03948	1.9
54.03469	0.8
55.01880	1.3
55.05513	0.9
56.96575	7.1
65.03929	3.5
67.05509	24.8
68.99809	1.3
69.07066	1.0
70.02962	0.9
71.50758	1.3
79.05500	7.7
80.05019	0.8
81.03432	1.4
81.07072	2.8
82.02966	3.6
82.06592	1.0
84.04517	2.5
84.68095	0.7
87.00823	0.8
88.03993	6.4
90.58612	0.6
91.05482	14.6
93.05781	1.1
93.07052	1.8
94.06566	2.4
95.04977	16.6
95.08639	0.8
96.04503	4.2
96.05750	1.1
98.97578	0.7
103.05485	4.9
105.07056	2.6
106.06567	1.9
107.04977	2.5
107.07380	4.1
108.01557	1.3
108.04507	0.9
108.05283	1.3
108.08123	20.6
110.06074	5.7
115.05457	1.6
117.05785	1.3
118.04158	1.1
118.06548	4.3
119.04951	10.0
119.08612	1.0
120.07253	1.4
120.08117	25.6
121.02853	1.1
122.06049	2.1
122.09692	7.1
123.04444	13.3
128.04979	0.7
131.04959	0.8
132.02078	1.1
132.08087	1.3
133.06480	2.2
134.06004	1.9
135.04427	0.8
135.06819	2.0
139.03905	5.8
142.95142	0.7
143.04950	1.5
145.06548	0.7
146.03596	1.9
146.06007	6.6
147.04422	10.1
148.07565	1.0
149.02354	1.4
150.03018	2.2
150.09161	34.2
151.03920	8.8
154.05098	0.9
160.02805	1.1
160.07600	0.8
160.99133	1.1
161.06003	4.3
163.03828	0.8
165.99362	0.8
174.02548	5.8
175.03940	7.8
177.09116	2.4
178.08649	100.0
179.00188	5.2
179.07074	1.7
179.08965	1.7
181.01534	0.7
183.03116	5.1
188.07005	3.9
189.05544	1.0
189.09129	3.4
192.04053	3.6
197.01263	7.1
206.08144	66.3
206.11790	2.1
206.15491	2.7
206.19145	1.0
207.03078	0.7
207.06494	6.9
207.08228	1.3
209.01358	2.3
215.02333	1.2
227.02266	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	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
50.03407	0.3
51.02399	0.3
56.96569	0.7
58.06594	0.5
65.03929	0.4
69.03433	0.4
70.09899	1.3
75.22755	0.3
79.05504	0.3
81.03410	0.4
84.08142	0.3
91.05492	3.0
92.05880	0.3
95.04954	0.4
96.27608	0.3
97.02898	0.4
103.05482	1.0
104.05003	0.9
115.05476	0.5
117.06991	0.5
118.06624	0.4
119.04987	1.7
120.08119	2.5
128.06215	0.7
131.04947	0.4
131.08556	0.8
132.04459	27.5
133.06490	0.4
143.08563	1.2
146.03613	0.3
146.06004	0.3
147.04443	1.7
148.05226	0.7
149.02283	0.5
150.02672	1.0
159.08075	1.0
160.03938	1.0
160.05220	1.1
160.07605	1.0
160.09760	0.3
160.11234	1.3
161.06017	1.9
161.09581	0.4
162.05461	2.3
163.06294	0.4
164.07082	2.5
170.08061	0.4
171.08009	1.4
175.03911	1.5
176.07043	1.2
177.07860	21.6
178.05006	100.0
179.05342	1.0
181.92754	0.3
188.07068	0.6
188.09018	0.4
188.10657	1.2
189.07655	0.4
189.09143	1.1
191.14294	0.6
192.04207	0.3
203.38489	0.3
206.04500	52.7
206.11777	46.7
207.04695	0.5
207.06514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
50.09761	0.2
53.03960	0.2
56.05027	0.5
56.96567	0.5
57.03456	0.3
57.07075	0.3
60.04516	0.2
67.48638	0.2
69.03435	0.3
69.63982	1.1
69.64393	0.4
80.94975	0.2
81.03397	0.3
81.07082	0.4
84.08159	0.6
85.19027	0.2
85.54117	0.2
86.02467	0.2
89.94045	0.2
91.05479	1.8
95.04916	0.2
97.02895	0.2
97.96495	0.2
98.09711	3.4
98.20718	0.2
98.97592	0.3
104.05007	0.6
105.07032	0.3
115.05518	0.2
118.04187	0.3
119.04969	1.9
124.07556	0.2
128.07114	0.3
128.98633	0.3
132.04463	24.7
134.06079	0.3
137.05956	0.2
142.08659	0.2
144.10199	6.0
146.05923	0.3
147.04390	1.8
149.02348	0.7
149.90465	0.2
150.02724	0.8
150.09157	0.2
151.03891	0.4
160.03967	1.1
160.05199	0.3
160.07622	0.5
160.09753	0.3
160.11166	0.4
161.05942	0.3
162.05551	0.4
163.03685	0.2
164.07104	0.5
175.03934	1.5
177.07852	2.5
178.05005	100.0
179.05356	0.9
180.05304	0.3
181.44232	0.3
189.09267	0.3
191.14330	0.4
206.04498	51.0
206.11789	9.5
207.04892	0.5
207.06581	0.9
210.80013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03941	2.3
55.01865	2.6
55.05519	13.9
56.96560	2.4
57.07083	18.9
60.04553	1.7
65.03931	5.0
67.05511	25.4
69.03417	2.5
69.07078	19.6
70.06647	1.3
70.07577	3.2
70.07975	2.5
71.05010	2.1
71.08606	1.6
78.95275	1.5
79.05499	18.8
80.05038	1.2
81.03421	3.0
81.06589	2.9
81.07064	53.4
83.04951	1.7
83.08627	11.2
84.08182	1.5
85.02899	5.9
85.06518	1.7
91.05492	13.4
93.03414	2.2
93.07052	54.2
95.04961	5.5
95.08619	37.8
97.02893	9.7
97.06546	1.9
97.10160	5.5
99.04437	1.8
102.61166	1.6
103.05472	1.5
105.07053	10.2
107.04958	4.1
107.08606	40.8
109.02884	4.6
109.06512	3.2
109.10175	35.0
111.04430	2.5
115.05463	4.7
116.06188	1.7
117.07043	12.1
119.08605	6.4
119.97872	1.5
121.02857	14.5
121.03974	2.8
121.06528	9.0
121.10161	27.2
123.11700	19.3
126.36992	1.7
127.03906	2.7
127.05813	1.8
129.07007	2.4
131.04965	2.4
131.08566	7.0
135.08138	3.4
135.11703	34.6
137.13235	2.6
140.67564	1.4
144.09398	1.5
145.06505	4.2
145.10103	10.6
147.08078	3.3
147.11694	3.8
149.02361	100.0
149.05968	3.3
149.09599	4.3
149.13271	81.8
150.02649	2.5
150.13559	1.9
155.06065	1.4
157.10266	1.5
159.08009	4.8
159.11713	6.5
161.05946	2.2
161.13249	1.7
163.03964	2.1
163.07625	3.2
163.11197	3.1
163.14935	7.2
163.96866	2.4
173.06023	3.3
177.05490	1.8
177.09096	2.3
177.12740	3.3
181.97919	1.8
187.03870	2.0
187.07562	2.9
187.11229	4.4
187.14836	4.8
189.11081	1.5
190.09901	2.0
205.04961	5.5
205.08557	9.7
205.10393	3.0
205.12259	22.6
205.14149	10.1
205.15918	15.4
205.19525	39.6
206.08128	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03955	1.8
55.01868	1.7
55.05510	7.3
56.96567	0.9
57.03425	1.4
57.07083	8.8
60.04517	0.7
65.03932	2.5
67.05509	12.8
69.03442	1.3
69.07073	8.5
70.09866	3.0
76.12148	0.7
77.03947	0.8
78.95277	1.0
79.05492	13.3
81.03425	1.4
81.07062	35.6
83.08624	4.3
84.04509	0.9
85.02926	1.7
91.05493	11.1
93.03407	0.9
93.07045	30.3
94.77714	0.8
95.04971	7.6
95.08611	18.0
97.02919	4.1
97.10186	2.0
99.04462	1.5
103.05453	2.4
105.04565	0.9
105.07021	4.7
107.04948	6.7
107.08603	28.8
109.02853	0.8
109.06506	1.4
109.10162	18.8
111.04385	0.8
115.05480	3.0
117.07024	3.8
119.08575	2.6
121.02869	4.0
121.03918	1.1
121.06492	5.4
121.10154	12.2
122.94223	0.8
123.04445	1.8
123.11715	100.0
124.12013	1.1
127.03951	1.4
131.04933	2.1
131.08549	4.5
133.06496	1.2
133.10091	1.1
135.04436	4.6
135.08064	1.8
135.11696	61.8
136.12036	1.4
139.03938	1.0
144.05698	0.9
145.06477	5.0
145.10110	4.2
147.04367	2.4
147.08075	1.3
149.02354	38.1
149.05971	6.3
149.09595	1.9
149.13266	24.6
151.03885	3.5
155.06061	1.3
159.04330	1.2
159.08134	2.0
159.11688	2.8
161.06029	1.3
161.09630	0.9
162.06752	1.0
163.03925	13.8
163.07581	1.3
163.14830	3.0
173.05994	3.3
176.04782	1.7
177.05472	2.6
177.09184	1.1
177.12793	2.3
187.03886	1.0
187.07564	1.9
187.11191	1.1
190.09935	1.3
205.04900	4.4
205.06702	0.8
205.08542	12.4
205.10165	1.7
205.12160	9.1
205.14113	3.1
205.15855	5.1
205.17857	1.4
205.19548	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	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.68586	0.5
57.07067	1.7
58.60809	0.6
61.81304	0.6
69.03448	0.7
70.63029	1.4
74.02441	1.2
79.88470	0.6
82.76273	0.6
91.05470	2.6
97.02892	0.7
102.18249	0.6
109.02882	0.9
115.05454	3.0
117.05765	1.9
117.07015	3.8
118.06552	45.5
121.02869	2.1
122.24125	0.7
130.06528	2.8
132.08093	9.3
134.43430	0.6
142.06537	5.7
143.07330	5.9
144.04469	1.5
144.08098	21.0
146.06018	100.0
147.06313	0.8
149.02351	10.7
155.06050	0.8
159.07991	1.2
159.09183	9.4
160.07628	1.8
163.96890	1.0
170.06026	8.0
172.65831	0.6
177.07903	1.0
181.97797	0.8
188.07079	80.3
189.07361	1.0
205.15848	1.0
206.11896	2.1
220.60460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1798
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03931	2.3
55.05514	11.4
57.07068	2.2
58.79428	1.0
60.04510	3.4
65.03928	1.1
67.05186	1.3
67.05511	22.1
69.07076	12.2
69.87279	2.8
69.87691	3.4
70.06584	2.5
72.15294	1.0
77.03905	1.0
79.05495	10.0
81.06590	2.0
81.07057	32.7
83.04981	1.7
83.08603	3.6
84.75929	1.0
86.09698	2.9
87.37724	1.0
91.05482	20.3
93.07043	20.6
95.08610	68.3
97.10136	1.7
98.20769	2.2
101.05987	2.2
103.05453	2.0
105.07037	57.1
107.04958	1.3
107.08600	22.2
109.06489	1.3
109.10165	40.0
111.04440	1.3
114.05553	1.5
115.05463	4.8
116.04922	1.0
116.06268	1.4
117.07021	3.9
119.04961	1.6
119.08585	61.7
121.10159	21.9
123.11723	23.0
126.05544	2.1
127.69708	1.0
128.06200	5.0
129.06998	7.0
130.06516	2.8
131.04919	2.4
131.08574	4.0
132.05710	1.9
133.06450	2.4
133.10138	36.9
135.11688	3.0
136.06169	3.3
141.19447	1.0
142.07773	3.0
142.15887	1.0
143.04890	2.6
143.07323	5.5
143.08575	3.1
144.04433	1.1
145.06401	2.1
145.10127	7.4
147.04442	7.3
147.08081	4.9
147.11696	71.7
157.06462	4.2
157.07588	1.4
157.08943	1.2
157.10168	4.3
158.09639	12.7
159.04416	1.7
159.08038	1.6
159.11681	4.3
160.05209	8.6
160.12437	2.8
161.05995	13.1
161.09619	3.3
161.13272	18.7
168.08101	2.3
171.04408	1.3
171.08003	1.5
172.03928	4.5
173.13237	2.1
174.06787	7.0
174.13892	1.5
174.73363	1.1
175.03972	2.1
175.07550	15.6
175.11284	1.4
175.14857	5.9
185.05969	2.7
185.09624	3.5
185.13295	3.6
186.09181	6.1
188.04724	2.0
188.08325	1.1
203.03426	5.0
203.06990	25.1
203.08751	1.8
203.10686	13.7
203.14117	6.4
203.17963	100.0
204.06639	1.8
204.13875	6.9
204.18190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35724	1.9
55.05497	4.0
56.03764	5.4
56.05028	6.9
56.96556	3.2
57.03442	2.7
57.04558	10.1
57.40042	1.6
58.05333	4.2
58.06590	6.2
59.05005	2.3
60.04503	6.5
67.05487	1.8
68.05042	1.9
69.03413	4.9
70.06578	5.4
71.04997	2.1
71.06109	3.7
71.50785	2.4
71.51496	2.2
72.04156	2.5
72.04518	27.9
72.05625	5.9
72.08140	5.8
73.06427	75.9
73.80870	1.9
74.07190	8.2
79.05516	4.2
81.03403	2.3
81.07054	4.4
83.04973	5.3
83.82769	1.7
84.04504	3.5
84.08128	2.5
86.07182	7.4
87.05569	2.5
87.07977	73.5
91.05475	7.9
95.04977	1.7
96.04480	3.7
97.02888	4.8
98.06065	1.7
98.07172	7.9
98.97544	2.4
99.04412	2.8
99.08042	2.8
100.08136	3.1
100.08751	59.0
101.09502	3.6
105.07032	4.1
107.04898	3.9
107.08596	3.7
111.04438	2.9
112.08741	49.5
112.11208	2.2
113.09524	25.1
114.05511	2.4
114.10300	80.1
115.03925	2.2
115.05450	4.8
117.07020	3.2
119.04911	2.7
119.06909	7.8
119.08575	6.0
120.96527	6.6
121.06489	2.1
126.05463	2.0
126.10253	2.2
127.08690	2.1
127.11060	5.1
128.06252	2.9
128.08200	4.5
128.11829	9.6
129.06970	4.2
129.08992	100.0
130.06526	4.3
131.04918	2.6
131.08606	2.4
132.05679	2.6
133.10132	2.9
135.98857	2.2
143.04932	3.4
145.06596	2.8
145.08472	31.5
145.10120	2.5
147.04449	12.3
147.08038	2.8
148.97643	3.0
156.11372	2.8
156.96233	3.2
157.05008	1.8
157.06442	3.1
157.07622	5.8
157.10211	3.1
159.07999	2.2
160.05183	7.8
161.05981	10.8
161.09579	4.0
161.11606	2.5
171.04413	2.1
175.07552	9.4
175.10991	1.9
179.97763	3.2
188.04691	3.2
201.24504	1.8
203.03528	9.3
203.06883	22.8
203.10498	9.2
203.14384	5.2
204.10216	2.5
204.13872	6.6
208.36513	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	202.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86703	3.9
69.87093	4.7
74.17043	1.9
82.01441	6.8
82.99852	7.2
100.02502	8.7
101.00890	51.6
102.00965	2.1
119.01931	100.0
120.02054	3.6
124.02463	6.0
137.02975	15.5
142.03510	49.3
160.04538	7.5
161.02989	26.6
177.00999	3.4
178.01079	4.6
179.00729	2.9
179.04047	34.1
179.98097	3.4
184.04514	2.7
187.99236	2.7
190.49643	4.2
196.94539	2.3
197.99243	5.1
199.50114	7.1
200.00201	2.6
220.02234	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	202.1075
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
53.03934	0.8
55.01857	1.0
55.05514	12.9
56.05042	3.9
57.01687	0.9
57.03434	1.4
62.63252	0.9
67.05498	2.1
68.04681	1.2
68.05033	21.0
69.03400	2.2
69.07070	1.4
70.02951	2.3
70.06594	11.7
70.79572	1.9
71.04961	0.9
72.04520	1.7
72.08160	12.7
73.02929	1.7
74.02435	0.9
79.05489	1.3
81.03396	0.7
81.07038	2.8
82.06590	1.2
84.04509	100.0
84.08123	0.7
85.02906	14.3
85.04809	1.1
85.06507	1.0
86.06065	4.3
86.09689	1.8
87.04482	9.6
91.05466	0.8
93.07069	1.2
95.04948	1.7
95.08594	1.7
96.04491	15.1
96.08128	1.1
98.02410	1.8
98.06067	16.6
98.97562	0.9
101.00867	1.0
102.05551	10.1
108.08159	1.0
110.06071	1.3
110.09690	47.8
112.03979	0.9
112.07566	1.0
113.02352	1.4
114.05536	40.4
114.09100	0.9
114.95670	0.8
116.03454	1.4
119.01889	1.9
124.07586	3.0
128.02213	1.1
130.05009	34.4
131.03419	0.9
138.09145	30.6
140.10703	7.0
142.05008	37.5
142.08643	2.3
156.10213	41.5
158.11778	29.6
162.41531	1.0
166.05046	1.1
184.09709	21.4
185.09949	1.0
202.05371	1.0
202.08980	1.4
202.10757	33.0
202.14384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1388
Annotation	Tetrahydrozoline
Peak:m/z	Relative Intensity
53.03922	0.2
53.13098	0.2
55.05475	0.7
56.05016	0.4
56.96540	0.3
57.03432	0.3
57.05793	0.5
59.93085	0.2
65.03893	0.5
67.05480	0.5
69.03404	0.4
69.07033	0.4
70.06564	0.4
71.04955	0.3
71.51054	0.2
72.08133	0.3
77.94114	0.3
79.05479	0.3
81.03368	0.8
81.03803	0.2
81.07012	0.9
83.04937	0.9
85.02877	0.6
86.09679	0.3
88.03919	0.3
91.05453	0.5
93.03400	0.4
93.07018	0.3
94.06553	0.3
95.04922	0.4
95.08611	0.3
96.04458	0.3
97.02880	0.3
98.09698	1.8
98.97551	0.3
99.04418	0.3
103.05444	0.5
105.07027	0.4
109.02877	1.8
109.06506	0.3
111.04402	0.8
115.05450	1.1
117.05689	0.2
117.06977	0.5
118.96753	2.5
119.08565	0.4
120.04423	0.9
127.03884	0.8
127.07513	0.3
129.06985	0.2
130.06531	20.5
131.08534	0.3
132.04471	0.2
132.08032	0.4
133.99075	0.6
137.02309	0.3
137.05960	0.4
137.06929	0.2
137.09534	0.3
143.07336	1.3
144.08089	2.3
145.06442	0.7
145.08824	1.0
145.10056	0.7
150.95677	0.4
154.06581	0.3
154.96489	0.7
155.03398	1.9
155.04527	0.3
155.07117	0.3
156.06812	0.3
156.08055	1.2
157.08862	0.4
158.03702	0.6
158.06020	15.1
159.11691	0.7
159.96964	0.2
160.07634	0.4
168.08191	0.3
170.06093	0.2
171.09184	6.3
172.07599	0.2
173.06010	1.0
173.10704	0.9
177.98067	1.8
183.02919	1.3
185.10764	2.7
186.03113	0.5
186.11528	100.0
187.11891	1.4
201.05481	1.9
201.10321	7.5
201.13887	26.0
201.16286	0.7
202.10643	0.3
202.14325	0.4
202.18039	0.5
202.85580	0.2
208.73981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
53.03934	0.4
55.01862	0.7
55.05492	1.1
56.96570	0.3
57.03428	0.4
57.07066	0.9
59.93108	0.5
67.05496	1.3
69.03432	0.5
69.07058	1.2
70.06573	0.5
70.85364	0.7
70.85703	0.3
79.05495	1.8
81.03436	0.5
81.07080	2.3
87.05564	0.4
89.39016	0.4
91.05490	3.1
93.07063	1.9
95.04978	0.7
95.08612	2.0
96.08114	0.6
98.09702	0.9
103.05457	0.7
105.07043	4.7
107.04971	0.6
107.08588	2.1
109.10170	0.7
111.04446	0.4
115.05466	4.2
116.06214	0.5
117.07026	4.8
118.96779	3.3
119.04941	0.5
119.08595	2.7
121.10133	1.2
123.04452	0.8
127.03915	0.4
128.06207	1.5
129.07010	3.9
130.07785	1.6
131.04915	0.9
131.08575	5.7
133.10149	0.7
133.99112	0.4
140.06230	3.2
141.06975	1.2
143.04898	0.5
143.08569	1.5
144.05721	1.2
144.09315	0.7
145.06514	4.4
145.10146	10.3
147.04453	0.9
153.06992	3.9
154.07780	1.9
154.96475	1.0
155.04901	0.8
155.05981	1.0
155.08571	16.8
157.06517	0.9
158.03662	0.4
158.07245	2.2
159.04445	0.8
159.08069	0.9
159.10474	0.5
159.11699	6.4
160.05174	4.2
161.06006	0.9
165.07033	2.2
168.05745	4.0
169.06474	1.4
171.04428	0.8
171.11673	0.4
173.05994	9.2
173.09627	2.8
173.13281	1.5
177.98116	2.4
183.08060	6.1
183.11728	0.9
185.05952	2.1
186.06773	19.0
186.11508	0.6
201.05421	3.4
201.09117	100.0
201.16394	11.0
201.20387	1.3
202.09464	2.3
222.02211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05509	0.6
55.31761	0.5
56.96586	0.6
58.98013	0.6
70.06623	0.5
70.34708	1.9
72.99592	0.7
73.02905	1.1
75.07064	0.5
77.00945	0.5
81.03383	0.5
81.07558	0.5
82.99837	6.8
84.08170	0.5
85.02929	0.7
91.05472	0.6
97.02903	0.9
98.97558	1.0
101.00887	54.6
102.00977	1.6
103.00638	3.2
103.01252	0.7
103.02458	0.6
113.00870	13.3
114.05555	0.6
115.02479	1.4
117.02221	0.9
118.01148	0.5
118.96779	1.7
119.01927	100.0
120.02068	2.6
121.01664	5.0
121.02442	0.7
124.02463	0.8
127.00892	0.6
127.02424	0.8
131.01915	42.3
132.02045	2.6
133.02586	0.6
133.03487	3.8
135.03239	1.8
136.95508	0.6
137.02963	17.8
137.05917	0.5
138.03064	0.6
139.02501	0.6
142.03505	2.2
143.01868	0.8
144.99886	0.7
145.03474	5.9
149.02959	9.1
150.51721	0.7
151.04520	1.1
155.01894	1.6
155.03598	1.2
158.97247	0.6
159.01437	0.7
161.03011	2.0
163.04567	1.4
173.02960	14.6
174.03134	0.8
177.00803	1.6
177.02463	2.2
177.98158	1.1
178.02592	1.2
179.04063	1.2
183.01416	2.4
183.03015	1.2
191.02280	0.5
191.04004	10.6
195.03505	0.6
201.02466	58.2
201.04138	3.3
202.02603	1.5
219.03516	48.3
220.03682	1.5
224.04095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
53.03943	0.3
55.05515	0.6
57.07061	0.6
67.05494	0.3
69.07059	0.5
69.55108	0.9
69.55524	0.8
70.06583	0.7
70.86178	0.3
79.05500	0.6
81.07053	0.5
86.65707	0.3
88.07635	0.7
91.05475	1.9
93.07049	0.8
95.04993	0.5
95.08604	0.7
96.08147	0.5
98.21491	0.5
102.09183	0.7
102.73545	0.2
103.05434	0.4
103.09546	0.4
105.07028	2.5
107.08585	0.8
109.10197	0.3
115.05467	3.0
117.07013	2.9
118.96774	0.9
119.08572	0.8
121.10155	0.4
122.25109	0.3
123.04421	0.6
127.05418	0.5
128.06213	1.3
129.07024	2.5
130.07793	1.3
131.04915	0.6
131.08554	2.9
133.10144	0.7
139.05453	0.3
140.06235	2.8
141.06975	0.6
143.08577	1.0
144.05719	0.8
145.06506	2.1
145.10120	5.8
147.04453	0.4
153.06979	4.0
154.07808	1.5
155.04913	0.8
155.06078	1.2
155.08562	14.9
155.14293	0.6
156.08920	0.3
157.06519	0.8
158.07272	2.0
159.04396	0.7
159.11702	2.3
160.05186	3.9
161.05960	0.6
165.06931	1.7
168.05710	4.3
169.06506	1.0
173.05986	8.1
173.09648	2.3
173.13203	0.7
177.98120	0.5
181.48427	0.3
183.06523	0.4
183.08073	5.0
184.08804	0.3
185.06012	1.7
186.06770	19.2
201.09108	100.0
201.16385	4.2
201.20438	3.9
202.09410	2.1
221.04399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91077	0.6
55.01880	1.1
57.03446	1.0
58.99869	0.6
68.05042	0.6
69.03421	1.2
69.57010	0.7
70.06591	0.6
70.31824	2.5
71.04961	0.8
71.06940	0.7
72.08154	0.8
80.68169	0.6
81.03419	1.0
82.99839	6.1
83.00253	0.7
84.04527	1.4
84.08187	1.3
85.01418	1.5
85.02919	1.1
96.04533	0.7
98.97627	0.7
101.00891	51.3
102.00965	1.0
102.05499	0.6
102.67171	0.7
103.00680	0.7
103.02413	1.4
104.10719	0.7
109.29645	0.6
113.00889	9.4
115.02428	2.0
116.98554	0.6
118.76715	0.7
118.96761	0.7
119.01934	100.0
119.38263	0.8
120.02052	2.4
121.01694	1.9
126.98809	1.1
128.07057	0.9
131.01921	36.7
132.02032	1.1
133.01799	0.6
133.03481	12.2
135.03279	1.1
137.02977	18.1
142.03519	2.2
142.05081	1.1
143.01871	0.9
143.16090	0.6
144.99886	0.7
145.03491	6.2
149.02974	8.6
151.04552	3.9
155.01923	1.2
159.01433	1.6
161.02942	2.3
163.04597	0.7
173.02983	13.5
175.04573	1.4
177.00960	0.9
177.02481	1.9
177.04306	1.0
177.98131	0.9
178.47899	0.6
179.04070	0.7
183.01498	1.9
187.00877	1.8
191.04042	10.1
201.02475	52.6
201.03998	2.0
201.06161	2.0
202.02533	1.0
219.03539	43.1
220.03583	1.2
224.04068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1283
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03158	0.6
57.03427	0.8
59.68997	0.6
63.76046	0.6
69.07066	1.0
70.79013	1.5
71.08643	7.1
84.04133	0.6
84.04515	7.9
85.02914	17.2
86.03513	0.6
87.04473	1.0
88.11282	8.3
91.74828	0.8
95.01339	1.5
95.63684	0.6
102.05552	8.1
112.03967	1.0
115.95547	0.7
130.05013	43.5
132.20166	0.6
144.55501	0.6
172.13330	3.3
200.12837	100.0
201.13174	2.0
209.41504	0.7
218.67255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1282
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
57.03421	0.7
70.55343	1.8
71.08636	6.6
74.04267	0.7
84.04508	15.0
85.02907	27.1
87.04477	1.2
88.11259	1.7
92.70318	0.8
95.01338	2.4
98.20865	0.8
102.05548	13.1
112.03970	1.8
130.05011	100.0
131.05363	0.8
168.68182	0.7
172.13344	0.9
200.12830	89.7
201.13138	1.6
207.88019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0919
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03935	3.3
55.01860	2.0
55.05485	1.4
55.30847	1.4
56.05035	1.9
56.96558	5.2
58.36818	1.3
63.29422	1.3
65.03937	2.5
67.05515	9.0
68.05032	3.0
69.03432	8.9
69.07083	8.5
70.06586	3.2
70.28759	2.7
70.29148	2.5
73.02905	1.4
79.05480	4.9
80.04597	1.7
80.05009	9.4
81.07044	4.4
82.06571	5.0
83.04975	1.2
84.04492	2.1
84.08143	4.6
85.02906	1.7
86.09647	1.5
91.05489	15.0
93.03423	1.3
93.05770	4.9
93.07042	9.0
94.02931	1.5
94.06034	2.4
94.06577	32.7
95.04975	7.1
96.04530	2.4
96.08099	3.2
97.06531	4.0
98.06054	2.4
98.20821	1.7
98.97588	21.4
102.82510	1.2
108.04475	2.5
108.08119	33.6
109.02866	1.9
109.06513	5.2
110.06055	20.8
111.04428	3.2
111.06841	1.7
111.08053	2.0
112.03981	6.2
112.07595	5.9
116.97219	2.4
116.98629	10.2
117.05694	1.7
118.06535	5.1
118.96767	2.6
119.04922	1.5
120.08078	3.2
121.06521	20.2
122.06036	85.3
123.04433	2.7
123.06853	2.0
124.07585	4.7
126.05495	1.6
126.09164	5.0
133.99132	1.6
134.06062	1.7
134.99654	2.8
136.07585	92.9
137.05975	5.3
138.05507	2.3
138.09157	4.5
139.07533	6.5
140.07076	100.0
146.06009	1.3
147.04387	1.4
154.05003	3.3
154.08638	76.9
155.03455	2.7
155.07007	1.7
156.06514	1.6
156.10254	1.3
157.53969	1.4
164.07068	17.6
165.05467	3.6
169.61827	1.4
182.08145	70.9
182.11742	4.7
183.08482	1.4
200.09192	88.7
200.12799	7.8
200.19170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39856	1.4
55.05495	3.1
56.05016	4.1
57.03444	8.5
58.99870	11.5
61.02902	5.5
66.67226	1.3
67.05487	2.3
68.05021	1.8
68.98266	3.3
69.03410	6.4
69.07066	1.7
70.06585	12.2
70.99494	1.5
70.99856	16.3
71.04974	4.6
71.50656	1.5
72.08132	4.4
73.01397	5.1
73.02918	7.9
77.00913	15.5
80.04989	2.8
81.03400	5.9
82.01456	15.2
82.06566	4.0
83.04958	3.9
83.06110	1.6
84.01196	2.3
84.04482	2.3
84.08121	6.5
85.02881	7.0
86.00970	1.4
86.03674	2.6
86.06013	1.5
86.99313	5.3
87.01118	1.8
87.04480	2.1
89.00903	10.4
91.02461	11.9
91.05447	2.0
95.01931	3.9
96.04466	2.6
97.02865	2.4
98.06031	1.9
98.97592	2.2
99.04442	2.4
100.00098	2.2
100.02484	43.5
100.05233	1.8
100.07611	3.0
101.00876	20.7
102.00948	2.7
102.02269	8.0
103.00613	1.7
103.02457	2.3
105.00336	6.7
105.02170	4.3
105.02815	1.7
108.04458	4.7
108.97763	1.8
109.02823	3.5
109.03470	5.7
110.06039	4.1
111.02972	1.6
111.04475	1.6
113.00825	2.0
114.04067	3.1
115.02394	3.1
118.01177	1.6
118.03515	22.6
119.01923	48.8
120.02020	8.7
120.03230	4.7
121.01682	8.4
121.03464	1.9
122.02091	1.6
122.06010	5.0
123.03211	2.7
123.52831	2.7
124.02424	3.7
126.09166	8.0
126.98776	33.3
127.03911	2.8
128.07010	1.6
129.00299	1.7
130.03484	1.8
131.01935	8.0
132.01987	2.4
132.05069	3.6
133.01645	4.1
133.03447	13.5
134.03596	5.9
135.03169	2.8
136.07559	6.7
137.02934	10.7
140.07043	5.4
142.03499	14.9
143.01904	3.5
144.99834	83.2
145.03433	3.7
145.99934	1.5
147.01364	6.7
147.03148	2.9
147.04951	1.8
149.01151	2.5
149.02901	5.0
150.00327	8.0
151.04491	6.1
154.03474	5.2
154.04930	3.5
154.06985	1.6
154.07442	1.9
154.08583	16.2
154.09769	4.6
156.06544	1.6
157.97548	2.6
159.01366	12.9
159.03270	2.0
160.04506	3.0
161.02869	4.6
162.03065	2.2
163.00864	12.5
163.02654	3.1
163.04355	1.8
164.07059	1.8
168.01431	88.1
168.99809	1.8
169.01561	2.3
170.03046	2.4
170.06792	1.9
172.02727	5.0
172.04619	2.7
172.06288	2.2
173.03011	3.0
174.02933	2.8
174.06195	2.0
175.98604	3.8
176.84222	2.1
177.02457	100.0
178.02521	1.5
182.02968	7.8
182.04517	4.9
182.08080	4.1
182.11739	6.2
185.02921	2.4
186.02400	10.4
187.00897	3.7
195.01897	2.3
195.03534	24.2
195.05174	3.6
200.04025	67.5
200.09145	6.6
200.12727	7.6
200.19124	2.6
201.02400	5.7
201.04221	2.5
208.91072	1.6
218.05144	7.3
218.08778	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39856	1.4
55.05495	3.1
56.05016	4.1
57.03444	8.5
58.99870	11.5
61.02902	5.5
66.67226	1.3
67.05487	2.3
68.05021	1.8
68.98266	3.3
69.03410	6.4
69.07066	1.7
70.06585	12.2
70.99494	1.5
70.99856	16.3
71.04974	4.6
71.50656	1.5
72.08132	4.4
73.01397	5.1
73.02918	7.9
77.00913	15.5
80.04989	2.8
81.03400	5.9
82.01456	15.2
82.06566	4.0
83.04958	3.9
83.06110	1.6
84.01196	2.3
84.04482	2.3
84.08121	6.5
85.02881	7.0
86.00970	1.4
86.03674	2.6
86.06013	1.5
86.99313	5.3
87.01118	1.8
87.04480	2.1
89.00903	10.4
91.02461	11.9
91.05447	2.0
95.01931	3.9
96.04466	2.6
97.02865	2.4
98.06031	1.9
98.97592	2.2
99.04442	2.4
100.00098	2.2
100.02484	43.5
100.05233	1.8
100.07611	3.0
101.00876	20.7
102.00948	2.7
102.02269	8.0
103.00613	1.7
103.02457	2.3
105.00336	6.7
105.02170	4.3
105.02815	1.7
108.04458	4.7
108.97763	1.8
109.02823	3.5
109.03470	5.7
110.06039	4.1
111.02972	1.6
111.04475	1.6
113.00825	2.0
114.04067	3.1
115.02394	3.1
118.01177	1.6
118.03515	22.6
119.01923	48.8
120.02020	8.7
120.03230	4.7
121.01682	8.4
121.03464	1.9
122.02091	1.6
122.06010	5.0
123.03211	2.7
123.52831	2.7
124.02424	3.7
126.09166	8.0
126.98776	33.3
127.03911	2.8
128.07010	1.6
129.00299	1.7
130.03484	1.8
131.01935	8.0
132.01987	2.4
132.05069	3.6
133.01645	4.1
133.03447	13.5
134.03596	5.9
135.03169	2.8
136.07559	6.7
137.02934	10.7
140.07043	5.4
142.03499	14.9
143.01904	3.5
144.99834	83.2
145.03433	3.7
145.99934	1.5
147.01364	6.7
147.03148	2.9
147.04951	1.8
149.01151	2.5
149.02901	5.0
150.00327	8.0
151.04491	6.1
154.03474	5.2
154.04930	3.5
154.06985	1.6
154.07442	1.9
154.08583	16.2
154.09769	4.6
156.06544	1.6
157.97548	2.6
159.01366	12.9
159.03270	2.0
160.04506	3.0
161.02869	4.6
162.03065	2.2
163.00864	12.5
163.02654	3.1
163.04355	1.8
164.07059	1.8
168.01431	88.1
168.99809	1.8
169.01561	2.3
170.03046	2.4
170.06792	1.9
172.02727	5.0
172.04619	2.7
172.06288	2.2
173.03011	3.0
174.02933	2.8
174.06195	2.0
175.98604	3.8
176.84222	2.1
177.02457	100.0
178.02521	1.5
182.02968	7.8
182.04517	4.9
182.08080	4.1
182.11739	6.2
185.02921	2.4
186.02400	10.4
187.00897	3.7
195.01897	2.3
195.03534	24.2
195.05174	3.6
200.04025	67.5
200.09145	6.6
200.12727	7.6
200.19124	2.6
201.02400	5.7
201.04221	2.5
208.91072	1.6
218.05144	7.3
218.08778	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	199.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50003	2.4
52.95396	2.3
53.03942	8.8
54.41327	2.5
55.01881	16.8
55.05509	3.4
56.96563	3.8
57.03443	61.1
58.99854	7.5
59.04975	2.9
61.02932	26.5
67.05502	3.9
68.02622	3.3
68.98298	6.0
69.03435	41.9
69.23139	26.4
70.06214	2.8
70.06598	56.2
70.99844	14.8
71.01344	8.4
71.05001	28.7
71.06939	13.7
72.08164	3.6
73.02923	64.2
74.03722	3.0
74.09705	3.0
77.00900	5.7
79.02178	2.6
79.05463	2.6
81.03416	44.8
81.99094	2.8
82.01448	2.9
82.99831	13.5
83.04940	3.8
85.01395	4.5
85.02907	68.1
86.03694	30.0
87.04478	8.5
88.02688	5.0
89.00903	9.2
89.06033	3.5
93.01904	4.0
93.07073	2.5
93.52003	3.3
94.99834	5.9
95.03465	4.5
95.04953	3.5
97.01397	5.2
97.02895	36.5
98.06034	3.2
98.21510	6.6
98.97586	6.2
99.01875	4.4
99.04487	19.6
100.00112	13.4
100.02608	10.6
100.05245	17.0
101.00895	79.2
101.01547	3.5
101.03496	3.5
102.00971	6.2
102.02405	14.8
102.52568	3.0
103.00631	12.4
103.02458	4.6
103.03164	2.7
106.02643	5.2
107.04916	2.7
107.76912	2.7
108.02402	8.2
109.02871	25.9
111.02922	11.8
112.02618	3.2
113.00891	34.4
113.06016	2.6
114.02394	9.1
115.00647	3.2
115.02447	25.8
115.03165	6.1
116.97228	8.7
116.98631	3.2
118.01153	12.7
118.03598	4.8
119.01942	100.0
120.02054	9.6
121.01706	22.5
121.03149	5.8
122.02142	4.6
122.05927	2.7
123.02946	6.3
124.03721	3.7
125.00914	4.8
127.02380	7.1
127.03164	4.7
127.03960	14.2
128.04012	3.4
129.00348	6.0
129.02971	7.3
129.03969	8.4
130.03619	8.7
131.01907	59.9
131.02838	4.5
132.01967	3.3
132.03491	4.8
133.01648	4.7
133.03467	31.5
134.95886	4.6
135.02901	7.5
136.04738	5.4
136.07556	9.4
137.02977	10.3
138.03378	9.8
138.96443	5.8
139.02477	11.6
139.04195	20.9
141.04019	4.1
141.05438	7.7
142.01137	10.2
142.03595	5.2
143.01921	40.7
144.03435	7.9
145.03307	20.6
145.04376	6.8
146.03261	3.4
146.05003	6.5
147.01398	10.8
147.03967	14.7
147.04987	6.1
148.04774	13.5
148.54877	4.4
149.02956	6.0
150.03439	2.8
151.04280	14.0
152.04993	5.0
152.07005	3.6
153.03981	10.8
153.06592	5.5
154.03555	5.5
154.04727	35.7
154.08644	3.4
154.54843	9.6
155.01945	25.0
155.05656	3.8
155.07004	5.0
156.02670	13.9
156.97504	17.5
157.03474	46.1
158.03571	3.2
159.01466	4.5
159.05046	11.7
160.02144	7.9
160.04739	19.2
161.02979	41.2
162.03149	5.8
162.04543	3.1
163.05322	5.4
164.07037	4.0
165.55585	3.5
166.01151	5.4
166.04842	5.0
167.01913	11.3
167.05547	5.2
169.03473	10.9
169.05193	22.2
171.01459	3.2
171.02980	3.7
171.05106	12.1
171.06738	3.9
172.02260	4.3
172.04669	3.7
173.02946	30.3
174.98558	12.3
175.00903	8.3
175.03053	4.1
175.04491	25.4
175.98555	9.4
176.04317	2.7
176.05919	8.8
177.02492	4.5
178.05693	2.8
181.03441	4.3
181.05321	4.3
182.08163	29.8
183.05037	6.7
184.02161	13.5
185.02980	42.2
186.03305	3.5
187.04549	8.8
189.06088	6.1
190.05832	10.9
191.04044	5.1
193.01982	4.2
193.05629	4.4
197.02898	3.4
199.04523	26.9
199.06378	22.2
199.10799	5.3
199.18936	9.1
199.56476	4.3
202.03210	4.2
203.03979	16.0
204.04207	4.3
215.04021	3.9
216.99629	5.0
217.05594	19.2
217.07384	10.5
218.08768	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	199.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02369	0.7
53.03951	4.5
55.01880	2.8
55.05512	2.3
56.05842	0.4
57.93557	0.9
58.51625	0.3
60.25738	0.4
64.23966	0.3
65.03947	4.4
67.05510	4.9
69.03416	0.8
69.07054	1.0
70.47958	0.4
71.04983	0.4
71.09301	0.8
73.02907	0.4
74.09726	4.0
77.03916	1.1
79.05502	2.5
81.03402	1.0
81.07043	1.2
82.04199	0.7
83.04979	0.8
83.08605	0.7
84.08943	0.6
85.02909	0.6
85.06548	3.5
86.09719	0.4
87.83675	0.4
91.05490	2.5
93.03403	1.2
93.07051	3.8
95.04976	25.0
97.02892	2.0
97.06508	1.0
97.67564	0.3
98.97584	0.9
100.07623	0.9
100.11234	0.3
104.43681	0.3
105.03391	0.5
105.04527	3.6
107.01267	0.4
107.04950	1.1
107.08564	0.5
108.02122	0.4
109.06514	0.8
110.03674	1.7
111.04457	3.4
111.08060	0.7
116.97231	7.1
120.02119	0.7
121.02877	2.2
121.03963	0.4
121.06507	3.5
123.04438	12.9
123.08076	1.8
125.02364	15.8
125.05996	0.9
127.03909	0.4
131.99619	1.7
134.95877	1.3
135.08072	0.8
137.05977	0.5
138.03148	0.5
139.03929	1.9
139.07568	2.3
140.04695	100.0
141.05060	1.2
148.96257	0.5
149.02374	0.4
149.05998	1.3
152.25911	0.4
152.96971	1.9
153.01875	0.7
153.05496	1.1
153.09113	0.3
153.14017	0.3
155.07053	12.6
156.09351	0.5
166.02667	0.8
166.07806	0.4
167.03418	1.6
167.07056	7.5
171.06615	0.8
173.08133	0.8
175.98549	5.0
181.04980	5.7
182.08098	0.4
191.12936	0.4
198.99384	0.5
199.06033	1.6
199.07666	0.5
199.11351	1.2
199.14647	0.4
199.18918	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	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03938	1.4
55.01867	3.0
55.05273	1.9
55.05516	24.8
56.42194	1.3
57.03426	3.6
57.07081	4.6
59.04995	1.2
66.94880	1.3
67.05513	36.3
69.03461	1.2
69.06731	2.2
69.07076	26.5
70.95874	2.9
71.05003	13.5
72.14024	1.4
72.93810	2.5
79.05497	19.1
81.07065	73.2
83.04981	7.1
83.08618	18.7
85.06554	15.6
87.04482	1.4
90.23969	1.3
91.05495	18.3
93.07056	27.1
95.04989	3.3
95.08617	100.0
97.06541	32.8
97.10181	7.9
99.08121	6.5
105.07042	24.0
107.08610	14.6
109.06532	5.3
109.10158	8.3
110.06035	1.2
110.49313	1.3
111.08080	6.6
111.98476	3.5
114.94715	1.3
117.06996	1.7
119.08590	33.6
121.10161	9.9
123.08096	8.7
123.11721	1.3
129.99516	1.8
132.95847	9.2
133.10141	23.8
135.11700	24.7
137.05997	1.5
137.09644	3.5
137.13258	22.2
143.43033	1.4
150.96896	7.7
151.03905	1.4
151.11153	1.8
155.97495	6.1
161.09628	1.5
161.13271	58.1
166.04300	1.2
168.30663	1.3
173.98509	5.6
179.10750	2.6
179.14316	29.2
197.11652	2.3
197.13635	2.0
197.15370	10.1
198.11238	1.9
198.18530	14.5
215.77705	1.5
218.25452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03937	2.4
55.01863	1.3
55.05493	3.0
57.07062	2.0
58.46366	0.9
59.04987	3.3
64.05507	0.9
65.03935	1.6
67.05505	6.1
69.03413	1.2
69.07056	1.7
69.65602	0.8
70.05878	3.7
70.95852	4.0
72.00840	1.0
72.93764	1.6
79.05480	5.2
81.03388	1.0
81.07062	7.7
89.30244	0.8
91.05482	20.1
93.07045	27.5
93.42837	0.8
95.04976	8.6
95.08604	4.3
105.07034	33.2
107.04955	1.3
107.08598	70.3
108.08998	1.1
109.06531	7.4
109.10165	6.1
111.98473	3.4
113.06028	1.0
117.07034	1.3
119.04949	2.1
119.08592	8.8
121.06508	6.8
121.10117	1.4
123.04420	3.6
123.08050	1.6
123.11684	3.8
125.06012	1.5
131.08560	2.9
132.95830	6.9
133.10135	72.0
135.08034	2.1
135.11693	57.8
137.05945	4.2
137.09595	6.1
143.08592	1.6
146.07288	2.0
150.96928	4.5
151.03954	1.3
151.11171	6.4
155.97366	4.3
161.09616	35.8
170.15335	1.2
173.98499	5.1
179.10675	100.0
180.10925	1.3
197.11737	73.4
198.18475	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	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01853	2.6
55.05510	6.3
57.07059	1.7
57.76466	1.1
59.04989	2.7
60.06505	1.2
63.32120	1.2
64.99765	1.1
65.03930	1.3
67.05502	8.6
69.03423	2.9
69.07071	2.6
69.69864	6.6
70.95866	14.9
71.01346	1.1
71.04967	2.7
72.93783	7.9
73.46478	1.2
78.09612	1.1
79.05497	8.4
81.03414	4.7
81.07061	15.0
83.04972	2.0
83.08604	1.4
85.06537	1.7
90.79285	1.3
90.94788	1.3
91.04910	1.2
91.05483	23.8
93.07043	26.6
95.04961	12.1
95.08590	5.2
97.06516	2.7
98.20827	1.4
99.04434	3.1
105.07035	32.6
107.08598	69.8
109.06512	10.1
109.10168	13.5
111.04409	1.7
111.98479	16.1
113.05980	1.7
114.94798	1.9
115.05462	2.2
117.07016	1.2
119.04948	1.3
119.06072	1.2
119.08580	12.7
121.06503	5.3
121.10143	2.3
123.04420	7.0
123.08084	3.9
123.11702	5.2
125.05969	14.4
127.03926	4.4
129.99489	4.3
131.08554	2.7
132.95840	30.0
133.06435	1.8
133.10138	73.8
135.08089	2.0
135.11693	49.8
137.05986	16.9
137.09613	9.3
143.08566	2.8
146.07216	1.4
150.96887	25.9
151.03874	2.7
151.07581	2.5
151.11172	11.8
155.97438	15.6
158.39340	1.2
161.09621	30.9
165.05469	1.7
169.10185	1.6
173.98502	16.7
179.10680	100.0
182.31113	1.1
197.05930	2.4
197.08066	3.8
197.09943	2.2
197.11740	56.0
198.18523	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	197.1174
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
53.03916	1.6
54.11042	1.1
55.01868	3.0
55.05505	4.1
57.07064	2.7
65.03922	1.3
67.05511	9.5
67.70428	1.1
69.03421	3.2
69.07053	4.4
70.19629	2.0
70.20015	2.3
70.90865	1.1
70.95871	12.2
71.04977	1.0
72.93790	5.5
79.05499	5.1
81.03407	1.2
81.06589	1.6
81.07061	22.8
83.04946	1.6
83.08614	1.2
85.02894	1.2
88.96912	1.8
89.05241	1.2
90.94801	2.3
91.05477	7.9
93.07050	9.7
94.98030	0.9
95.04972	50.9
95.08064	1.6
95.08615	18.9
105.07040	8.7
107.04963	1.2
107.08604	26.5
109.06506	10.9
109.10162	33.2
109.39798	1.2
111.04424	3.7
111.98497	13.3
113.96394	2.1
114.94826	1.3
119.04987	1.2
119.08632	2.5
121.06491	2.7
121.10155	1.8
123.04431	2.9
123.08069	6.7
123.11709	52.6
125.06004	3.9
129.20461	1.0
129.99510	2.9
132.95839	27.8
133.10133	19.7
135.08026	1.4
135.11720	10.5
137.05998	9.7
137.09627	36.2
143.08575	1.3
150.96892	21.1
151.03883	1.5
151.07532	2.6
151.11189	22.1
153.14642	1.8
155.97423	16.2
161.09634	10.8
165.05466	2.2
169.10623	1.7
169.12262	2.6
173.97148	1.6
173.98508	15.7
179.10683	100.0
180.11078	1.1
197.00096	1.1
197.05949	1.1
197.09854	2.0
197.11723	16.6
197.13310	2.9
198.18567	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	197.0961
Annotation	cis-Stilbene oxide
Peak:m/z	Relative Intensity
55.01876	1.9
58.79479	0.3
65.03944	7.9
67.05508	0.5
69.62069	1.2
69.62476	0.5
91.05484	43.6
95.04968	0.5
98.21467	0.6
105.07038	0.4
107.04960	4.0
109.06525	1.8
115.05449	1.2
119.06060	3.2
128.06247	2.7
129.07010	3.9
132.95857	0.8
141.06990	13.7
150.96877	0.4
152.06195	1.4
153.06998	9.6
154.07779	45.0
155.08394	1.1
159.67632	0.3
165.07053	0.3
167.08574	3.1
168.09314	0.8
169.10132	36.2
170.10442	0.6
173.98506	0.3
178.07832	2.1
179.08556	4.7
179.10277	0.3
179.10600	0.3
181.06473	3.3
182.07289	7.5
195.08128	0.6
197.09627	100.0
198.09938	1.9
198.18498	1.4
207.09273	0.5
216.79532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03945	2.6
55.01860	2.5
55.05525	9.0
59.04995	2.1
67.05492	6.3
68.99058	1.6
69.03412	3.0
69.07084	2.2
69.86227	9.3
70.95862	11.7
72.93780	6.1
79.05490	7.3
79.10321	1.5
81.07048	9.8
83.04962	3.9
91.05492	21.2
93.07062	24.8
95.04981	10.9
95.08575	3.0
97.06554	2.5
99.04446	3.8
101.81509	1.7
105.07042	30.0
107.07880	3.2
107.08604	62.2
109.06541	9.3
109.10149	7.6
111.04453	1.8
111.98438	9.6
114.94868	2.0
119.04962	3.8
119.08588	8.0
121.06493	7.4
123.04411	3.8
123.11727	3.1
125.05991	25.5
127.03896	10.3
129.99501	2.2
132.95844	22.6
133.09114	3.8
133.10143	71.2
135.10706	3.2
135.11705	54.6
137.05980	25.6
137.09613	5.0
143.08572	1.8
150.96892	12.2
151.03839	2.7
151.11211	7.2
153.14751	2.2
155.97453	13.6
161.09634	35.3
173.98534	12.3
176.10802	1.9
179.10686	100.0
197.11745	62.5
197.13167	1.5
198.18517	4.2
207.73839	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03935	1.4
55.01857	1.3
55.05510	2.1
59.04975	1.0
67.05494	3.6
69.07080	1.5
69.18134	1.0
70.56312	1.0
70.56671	3.6
70.95868	5.0
72.93771	1.8
79.05494	5.1
81.07069	6.2
91.05482	12.7
93.07047	10.5
95.04963	4.0
95.08648	2.0
99.04459	1.0
105.07041	20.6
107.08605	100.0
109.06532	5.6
109.10167	7.0
111.04478	1.3
111.98483	5.0
119.04938	1.3
119.08630	4.8
121.06513	3.5
121.10123	3.2
123.08083	1.2
123.11698	4.1
125.06017	5.3
127.03930	2.5
131.08582	2.3
132.95831	10.4
133.10143	51.5
135.11707	13.6
137.06003	9.3
137.09598	4.8
139.07635	1.0
143.08548	1.9
146.07274	1.0
149.09639	1.3
150.96916	5.4
151.03937	1.2
151.07550	2.1
151.11209	7.0
154.07805	1.0
155.97475	4.7
161.09633	15.3
167.10672	3.3
173.98488	5.5
179.10677	33.9
191.83229	1.1
197.11740	46.6
198.18575	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	197.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16322	29.6
54.27848	27.2
70.54900	100.0
74.33470	33.9
77.22853	30.4
102.18324	28.9
104.31243	29.9
131.01909	28.3
182.48080	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	197.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05510	0.9
55.93515	0.5
57.07063	0.5
65.58617	0.4
67.05472	0.6
68.05015	0.7
69.03410	1.9
69.07056	0.9
69.35181	3.6
70.06256	0.7
70.06597	8.5
70.75135	0.4
70.95518	0.7
70.95869	8.2
72.93795	4.5
79.05484	0.6
81.07048	0.6
82.99860	1.7
88.96896	1.1
89.17991	0.4
90.02498	0.4
90.94810	0.9
91.05466	0.4
95.04946	0.5
97.02888	1.6
97.06506	0.9
100.02447	0.6
101.00883	10.8
102.00981	0.5
102.02235	0.7
105.07046	0.6
107.08583	1.3
111.98489	8.2
113.96400	1.2
114.04031	6.8
114.94782	0.7
118.03438	0.7
119.01928	28.5
120.01994	1.4
120.03289	0.7
127.02358	0.7
129.02734	0.9
129.04037	1.0
129.99533	2.8
131.01895	0.9
132.02017	0.9
132.05077	33.6
132.95833	14.2
133.01639	0.5
133.03490	2.1
133.05182	0.8
133.10107	1.0
135.11644	0.9
137.02963	7.3
138.96538	0.4
142.03494	1.0
145.03473	5.9
146.03616	1.1
147.03781	8.8
147.04877	0.7
150.06129	16.9
150.48654	0.4
150.96893	18.4
151.04393	0.4
151.06224	0.8
155.01927	1.3
155.06688	0.5
155.97429	10.6
156.02164	0.4
156.05049	9.8
156.97462	0.9
157.03465	1.0
157.05223	0.5
160.04544	0.6
163.04523	1.5
165.04893	2.2
168.97925	0.5
169.03450	0.9
169.05318	0.6
169.10472	0.7
170.06635	1.0
171.05064	1.1
172.91006	0.5
173.01352	0.9
173.02965	8.5
173.04517	0.6
173.98497	12.9
174.03151	3.0
174.06133	100.0
174.98589	0.9
175.02808	0.7
175.04514	1.3
175.06291	2.2
179.10728	1.6
187.04524	2.6
191.02333	0.6
191.03955	2.3
191.99557	0.6
192.04283	0.8
192.07161	19.6
193.05624	0.5
193.07216	0.7
197.00745	2.5
197.02959	2.8
197.04712	1.6
197.07758	1.8
197.11699	1.0
198.06107	1.9
198.18541	4.9
215.01657	2.0
215.03976	1.8
215.05829	0.6
216.07233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	6.7
55.01871	15.8
55.05509	38.3
56.82330	2.0
57.03434	4.5
57.07079	5.9
57.91858	2.3
59.04997	2.5
65.03941	6.8
67.05508	17.2
68.96331	2.0
69.03432	8.7
69.07071	51.2
69.76752	2.0
70.06590	4.8
71.04992	9.2
71.40605	4.5
75.61589	2.5
79.05495	26.2
79.32238	2.2
81.03419	6.4
81.07062	55.5
83.04996	7.0
83.08617	19.7
84.08134	2.9
85.02938	3.3
85.06549	20.9
89.03925	9.9
89.06057	4.1
91.05482	14.4
93.03407	7.4
93.07046	36.4
95.04996	3.8
95.08612	67.9
97.06551	7.0
97.10186	14.2
99.08104	73.6
103.05470	21.0
105.07027	18.4
107.04961	46.7
107.08604	61.4
109.02857	2.5
109.06508	4.5
109.10149	17.2
111.04449	6.5
111.08089	51.7
111.11709	4.7
113.09663	6.8
115.05464	2.9
117.03369	16.6
119.08601	4.2
121.06523	6.0
121.10152	70.7
123.08064	2.9
123.11642	3.8
123.62005	2.4
124.05199	4.2
125.09651	14.8
130.96344	4.7
131.04976	4.6
131.08601	2.8
133.10138	3.7
135.04439	10.1
135.08075	23.0
135.11719	20.2
137.13261	19.0
138.06613	2.6
139.03932	25.5
139.11205	11.0
145.02864	32.9
149.06027	11.4
149.13258	10.9
151.07584	4.3
153.09131	2.6
153.97958	3.4
154.06252	84.5
154.07477	4.4
159.11815	2.7
163.03899	9.7
163.07535	30.0
165.07063	4.1
167.07033	7.1
167.08508	3.1
168.10260	7.0
177.01878	2.6
177.05473	42.8
177.09096	4.0
177.12801	3.8
177.16400	100.0
180.07916	2.8
195.02950	18.3
195.06488	8.6
195.08319	7.0
195.10014	11.3
195.11664	6.0
195.13800	4.3
195.15712	5.4
195.17476	26.2
196.09688	4.8
196.16968	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03929	3.7
55.01864	5.3
55.05512	18.2
55.68200	1.2
57.03428	2.9
57.07078	5.9
60.99931	1.2
65.03930	3.1
67.05509	9.5
68.96343	2.6
69.03428	11.6
69.07072	38.4
70.06583	2.4
71.04990	4.9
71.50900	2.1
78.04721	2.8
78.44482	1.1
79.05496	19.4
81.03407	3.1
81.07061	36.6
83.04987	2.3
83.08630	15.3
84.08170	1.5
85.06533	6.7
89.03927	27.7
91.05493	13.0
93.03389	1.4
93.07053	28.1
95.04966	5.3
95.08612	49.3
97.02869	2.1
97.06551	1.9
97.10169	7.7
98.06044	1.5
98.97580	2.5
99.08098	39.0
103.05459	7.4
105.04547	1.4
105.07043	11.6
106.04158	2.8
107.04959	56.5
107.08595	39.1
109.06477	3.9
109.10168	12.5
109.98958	1.7
111.04443	3.8
111.08086	12.4
111.11713	2.8
113.09634	4.4
115.05400	2.8
116.84228	1.4
117.03388	55.7
117.06979	2.3
119.04926	2.9
119.08505	1.4
120.05667	1.7
121.02873	1.5
121.06504	4.2
121.10146	50.7
123.04423	2.1
123.08044	1.4
123.11730	3.2
125.05991	4.0
125.09641	23.9
130.96298	4.1
131.08527	2.0
131.96147	2.2
133.02869	2.0
133.06474	1.3
134.03641	7.3
135.04437	9.5
135.08070	15.6
135.11693	15.1
137.05968	5.2
137.13264	16.0
139.11197	1.7
145.02850	85.0
148.97382	3.0
149.02373	1.6
149.06001	26.3
149.09607	3.9
149.13292	3.6
149.97195	1.6
151.03874	1.8
151.07559	3.7
152.04718	1.3
152.14336	5.8
153.01810	4.2
153.05452	4.0
153.97873	1.7
161.05336	3.9
162.03108	2.5
163.03952	12.3
163.06187	2.0
163.07553	16.3
165.07027	1.5
167.07071	13.2
168.10168	2.9
171.98962	1.8
174.06889	1.2
177.05475	100.0
177.08810	2.2
177.12875	1.9
177.16400	54.5
178.16624	1.4
180.07788	3.6
180.09283	1.6
195.02835	8.1
195.06587	13.3
195.08493	3.2
195.10184	11.0
195.11702	2.2
195.13712	1.5
195.15776	2.6
195.17445	13.2
196.09657	1.9
196.17036	4.1
204.44476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.02156	4.3
53.03939	6.2
55.01866	7.2
55.05500	16.0
57.03439	43.6
61.82248	3.9
67.05510	39.5
69.03439	5.2
69.07076	61.5
70.56374	7.8
70.56738	9.0
71.04990	5.3
71.91948	4.8
78.68807	4.4
79.05497	30.8
81.03422	9.1
81.07064	46.2
83.04977	5.9
85.06540	14.2
89.03924	9.9
89.06016	5.7
90.27444	4.0
91.05489	24.1
93.07052	61.8
95.04958	12.7
95.08595	32.1
97.06513	11.6
99.08126	4.9
103.05547	5.1
105.07032	19.6
107.04942	19.6
107.08605	36.9
109.06473	7.0
109.10144	10.6
111.08084	14.8
115.55396	3.8
117.03370	17.3
117.07032	5.4
119.08582	10.2
121.06562	9.3
121.10152	13.3
123.08083	100.0
125.05984	7.3
131.08582	14.7
133.06477	11.1
133.10135	8.2
135.04431	12.4
135.08061	10.6
135.11668	30.0
137.05925	5.0
145.02847	38.7
148.97350	6.5
149.05980	16.1
149.09662	6.5
149.13278	9.1
159.11691	12.2
163.03886	24.7
165.06993	5.6
167.07109	5.2
177.05484	40.9
177.12791	20.9
195.02954	27.2
195.06476	8.3
195.08315	8.4
195.11623	9.6
195.13806	17.0
195.15735	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03949	5.2
55.01887	4.9
55.05516	18.1
56.96553	2.7
57.03447	5.4
57.03676	1.3
57.07076	2.7
58.06456	1.0
58.52897	0.8
65.03928	3.6
67.05513	61.7
68.96328	1.0
69.03418	2.1
69.06733	1.5
69.07074	19.2
70.06585	2.8
71.01353	3.3
71.05000	6.8
79.05499	50.9
81.03424	17.2
81.07061	100.0
83.04973	13.3
83.08639	10.2
84.08148	1.7
85.02898	2.7
85.06571	5.8
86.41189	0.9
87.04474	1.2
89.03932	6.5
89.06021	2.2
91.04903	2.3
91.05484	45.7
93.03414	1.1
93.07050	63.3
94.07380	1.2
95.04981	10.2
95.08616	31.9
97.06534	13.0
99.04434	1.4
99.08091	1.9
103.05470	1.4
105.03409	0.9
105.04510	1.6
105.07041	13.9
107.04974	12.9
107.08601	33.6
109.02882	1.3
109.06505	5.0
109.10153	5.6
111.04456	2.2
111.08091	5.1
116.06231	1.1
117.03391	10.5
117.07024	14.7
119.08591	4.1
121.02851	1.8
121.06512	8.9
121.10142	11.1
123.08073	2.3
123.11698	3.5
125.06007	2.3
125.09607	1.2
129.07097	1.2
130.96254	1.5
131.08580	12.9
133.02824	1.7
133.10136	24.8
134.03648	1.4
135.04451	4.9
135.08063	6.8
135.11700	36.0
137.05974	1.2
137.09633	1.9
139.03952	1.2
139.07541	1.7
145.01747	1.8
145.02849	18.6
148.97385	2.6
149.06020	6.6
149.09622	3.3
149.13263	16.8
151.07582	1.2
151.11205	4.2
152.06139	1.2
153.05513	1.1
153.09175	2.5
154.06340	1.3
159.11716	16.9
163.03912	14.2
163.07602	2.2
165.05573	0.9
165.06966	2.1
167.07024	2.4
167.08463	1.2
168.10176	2.3
171.98956	1.8
177.05470	25.2
177.08986	1.1
177.12778	14.2
178.89162	1.0
180.09387	2.9
195.02924	9.6
195.06467	3.4
195.08147	3.0
195.10106	2.5
195.11734	3.8
195.13818	21.2
195.15532	2.0
196.09645	2.0
196.17021	1.3
196.20885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03946	4.3
55.01865	3.9
55.05509	17.3
57.03426	3.4
57.07098	2.1
59.04997	1.0
65.03941	3.9
67.05509	80.1
68.96331	1.2
69.03426	3.0
69.07072	21.0
70.06590	2.1
70.94270	1.5
71.05000	6.6
71.09834	2.3
73.02911	1.7
78.04721	1.8
79.05497	46.9
80.05027	1.0
81.03415	6.3
81.07060	100.0
82.07395	1.2
83.04984	7.6
83.08625	10.6
85.02897	3.0
85.06540	5.2
89.03919	8.1
89.06022	1.8
91.04905	1.4
91.05485	28.7
93.03364	1.2
93.07047	67.5
94.07394	1.1
95.04970	8.0
95.08608	46.3
97.06545	16.9
97.10192	3.2
98.06036	1.8
99.04443	2.0
99.08089	5.3
100.56164	1.0
103.05479	2.7
105.04520	1.2
105.07039	14.1
107.04955	16.4
107.08601	31.6
107.09314	2.1
109.02850	1.5
109.06516	4.4
109.10162	6.7
109.98953	1.4
111.04427	2.0
111.08080	8.6
111.11714	1.3
113.05980	1.5
117.03379	11.8
117.07031	10.6
119.08587	4.4
119.80702	1.0
121.02861	1.6
121.06502	6.3
121.10141	11.6
123.08105	2.1
123.11726	1.7
125.09674	1.8
128.00049	1.0
130.96333	1.7
131.08577	16.6
133.02870	1.1
133.10121	14.9
134.03661	2.0
135.04449	5.1
135.08069	8.1
135.11702	41.4
137.05949	1.9
137.09544	1.4
139.03874	2.3
139.07585	2.1
139.11304	1.1
145.02864	21.0
146.03220	1.2
147.11687	1.4
147.19093	0.9
147.48592	0.9
148.97391	3.4
149.05974	8.1
149.09631	3.3
149.13274	26.6
149.97208	1.8
151.03954	1.5
151.07632	1.5
151.11224	5.6
152.06140	1.6
153.01901	1.2
153.05486	1.6
153.09123	2.3
154.06279	1.7
159.11693	24.7
162.03065	1.2
163.03879	6.7
163.07584	1.6
165.05626	2.1
165.07059	3.0
167.07042	6.4
167.08565	8.1
168.10184	3.3
171.98924	2.6
177.05476	24.2
177.06776	1.2
177.09052	2.3
177.12750	20.8
177.16379	4.8
178.08777	1.0
180.09476	1.6
186.05833	1.1
195.02893	8.7
195.04852	1.3
195.06496	6.7
195.07919	6.4
195.10103	2.2
195.11652	3.9
195.13826	23.8
195.15659	2.6
195.17419	1.8
196.09721	1.1
196.16913	1.2
197.08333	1.0
205.07570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	4.0
55.01861	5.6
55.05514	18.0
57.03433	8.7
57.07069	2.2
65.03931	2.8
66.62540	1.4
67.05508	65.9
68.06896	1.3
68.96351	1.8
68.99773	1.7
69.03428	2.6
69.07072	14.7
70.06602	1.9
71.01347	3.1
71.04989	6.4
71.51104	1.3
71.51545	1.7
79.05495	49.1
81.03423	15.8
81.07060	100.0
83.04989	13.0
83.08615	10.9
85.02912	2.5
85.06578	7.6
85.07000	2.0
89.03913	6.2
89.06042	1.5
91.05489	39.9
93.07047	60.2
95.04974	8.5
95.08612	34.5
97.06544	11.6
99.08076	2.8
103.05508	2.1
105.04546	1.8
105.07030	16.6
106.07370	1.5
107.04968	12.7
107.08594	31.9
109.06523	10.4
109.10158	4.8
111.08067	5.4
117.03380	11.5
117.07037	15.0
119.08587	3.9
121.06507	8.1
121.10139	12.6
123.08053	5.3
123.11751	2.0
125.06007	2.8
125.07034	1.3
127.57172	1.5
131.08563	12.2
131.41676	1.6
131.96182	1.7
133.02838	1.6
133.06516	2.4
133.10133	22.0
135.04399	3.1
135.08069	5.6
135.11694	33.5
139.03989	1.7
139.07538	1.7
139.11153	1.9
145.02861	21.2
148.97401	3.2
149.05974	7.9
149.09619	3.3
149.13292	17.1
151.11221	6.0
153.09100	3.7
159.11699	15.6
163.03944	11.0
165.07039	3.8
167.07140	2.7
167.08556	3.0
168.10229	2.0
171.99016	2.7
177.05461	24.6
177.09029	1.9
177.12729	15.0
180.09315	1.5
195.02890	16.4
195.06544	3.5
195.08182	2.3
195.10097	3.1
195.11818	2.1
195.13812	22.5
195.15581	2.9
196.09782	1.9
196.16985	1.5
214.43336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.76850	0.7
53.03944	2.0
55.01869	1.8
55.05508	5.4
57.03440	37.9
57.07064	1.5
65.03938	1.4
67.05501	13.4
68.96318	0.9
69.03425	1.6
69.07079	4.3
70.06596	1.2
70.67083	1.5
70.67427	0.7
71.04989	1.6
75.04478	1.7
79.05498	13.6
81.03411	2.8
81.07060	13.2
83.04987	2.6
83.08627	0.9
85.06550	9.6
85.11282	0.7
85.72655	0.8
89.03916	2.4
91.05483	5.6
93.06480	1.4
93.07048	20.4
95.04982	7.5
95.08613	20.9
97.02894	1.1
97.06540	3.9
98.06107	0.8
99.08088	3.0
103.05488	0.9
103.60192	0.8
105.07049	6.0
107.04941	5.2
107.08601	8.8
108.05751	0.8
109.06533	3.9
109.10141	1.6
111.04433	1.5
111.08088	4.2
116.84851	0.6
117.03387	4.5
117.07022	2.7
119.08582	1.7
121.02879	0.9
121.06499	1.9
121.10119	5.7
123.08072	100.0
124.08406	1.0
125.06045	1.0
129.07047	1.0
130.96327	0.7
131.08580	3.3
133.06447	1.1
133.10133	2.2
135.04425	2.2
135.08070	3.5
135.11711	6.6
137.09612	1.7
139.03909	0.9
139.07498	0.8
139.11188	4.2
145.02870	7.4
148.97397	1.4
149.05994	3.3
149.09618	0.9
149.13251	3.8
151.11165	1.3
153.09116	1.4
153.97939	0.8
154.06319	0.9
155.71092	0.9
159.11719	3.1
162.42680	0.7
162.44095	0.7
163.03922	3.0
165.07007	1.8
166.44986	0.8
167.07176	1.4
167.08504	1.2
168.10251	2.8
177.05479	10.1
177.12750	5.8
178.08583	1.3
180.09377	1.1
195.02876	7.0
195.06506	2.7
195.08185	1.4
195.10089	1.3
195.11650	4.2
195.13821	6.8
195.15381	0.9
196.09753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.22015	1.2
52.86360	1.3
53.03939	6.1
55.01873	3.3
55.05513	13.6
56.96540	1.8
57.03429	4.4
57.07065	1.9
65.03935	3.5
67.05511	54.6
69.03436	2.2
69.07080	17.1
70.06596	3.2
70.56682	3.2
71.01358	4.5
71.04991	5.0
73.02925	1.3
79.05501	40.9
81.03429	9.6
81.07066	100.0
83.04994	16.1
83.08619	10.6
85.06554	5.8
89.03910	4.4
89.06040	1.9
91.05486	25.5
93.07055	67.0
94.07357	1.5
95.04965	5.7
95.08617	44.2
97.06546	14.2
99.08097	2.4
105.04530	2.0
105.07030	10.8
107.04980	8.4
107.08611	27.5
109.02849	1.6
109.06513	3.9
109.10175	4.5
111.08095	5.3
117.03392	4.9
117.07028	12.4
119.08560	3.7
121.06503	7.1
121.10159	9.5
121.33710	1.2
123.08069	3.0
125.09650	2.2
131.08580	11.7
133.02869	1.5
133.10149	13.7
134.03607	2.0
134.10472	1.4
135.04440	3.2
135.08069	6.7
135.11717	38.8
136.12022	1.5
136.46910	1.1
137.05956	1.3
137.09639	1.6
145.02849	12.0
148.15572	1.3
148.97382	2.1
149.06003	4.4
149.09642	3.8
149.13277	23.4
149.97264	1.8
151.11201	2.9
153.09142	1.8
159.11711	23.3
163.03973	6.0
165.07027	4.8
167.07097	2.4
167.08549	3.5
168.10197	2.9
171.98982	2.4
177.05461	14.9
177.09134	1.8
177.12741	16.7
180.09323	2.3
189.95959	1.3
195.02945	8.1
195.06519	4.4
195.08253	4.7
195.10114	2.7
195.11708	11.3
195.13826	18.1
195.15588	2.5
196.17041	1.4
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	Unknow
Peak:m/z	Relative Intensity
51.77730	0.8
53.03937	2.9
53.94020	0.9
55.01868	3.9
55.05515	13.5
57.03428	3.0
57.07077	5.1
59.86958	0.9
61.34785	1.1
62.01574	1.2
63.02367	1.3
65.03952	5.7
67.05508	12.5
68.96330	1.2
68.99792	52.8
69.03436	4.5
69.07072	24.8
70.06581	3.0
71.04988	5.1
71.51259	1.6
77.03912	1.8
78.04742	1.2
79.05497	18.6
80.04995	1.2
81.03423	5.0
81.07060	23.0
83.04980	6.4
83.08621	7.1
84.08139	1.4
85.06535	3.7
85.10189	20.5
89.03923	25.3
89.06020	2.1
91.05481	14.4
93.03429	6.8
93.07050	16.2
95.04961	5.1
95.08614	15.5
97.02882	1.2
97.06532	6.3
97.10178	7.6
98.06042	1.1
99.08094	3.8
103.05473	20.0
105.03371	1.1
105.04514	1.6
105.07038	13.5
106.04147	2.6
107.04960	39.8
107.08597	28.6
109.02888	2.6
109.06546	4.6
109.10158	9.8
109.98965	1.2
111.04448	9.7
111.08097	5.9
111.11718	4.6
115.05455	4.2
117.03385	47.4
117.07010	3.3
119.04929	2.3
120.05722	3.1
121.02892	1.5
121.06510	5.6
121.10145	16.4
121.23631	1.0
123.08043	1.4
123.11701	3.1
124.05217	2.8
125.05984	2.1
125.09637	35.0
130.96310	3.7
131.04915	3.0
131.08566	3.5
133.02869	2.0
133.06544	1.7
133.10150	2.4
134.03633	8.5
135.04413	9.7
135.07117	1.6
135.08052	18.5
135.11693	10.0
137.05969	3.7
137.09688	1.2
137.13258	4.9
138.06555	1.2
139.03900	20.8
139.07585	1.1
139.11166	2.3
145.02852	80.8
145.07658	1.0
147.04401	2.9
148.05145	1.4
148.97351	2.9
149.02357	1.6
149.05991	22.4
149.09607	4.3
149.13281	5.7
149.97154	1.1
151.07559	2.0
151.14795	1.1
153.05534	2.1
153.09108	100.0
153.97862	1.6
154.06252	66.1
155.06953	2.3
159.11716	2.7
162.03139	2.1
163.03914	15.0
163.06316	1.8
163.07571	21.7
165.05521	1.9
165.06926	2.3
167.03490	1.2
167.07050	7.9
167.08638	3.7
168.10248	2.4
171.98956	2.4
175.95738	0.9
177.05478	91.9
177.09055	3.0
177.12759	4.2
177.16400	13.7
178.05846	1.2
180.07799	5.8
180.09302	1.5
186.05428	2.0
195.02925	16.8
195.06555	7.4
195.08208	4.6
195.10162	23.3
195.11623	3.0
195.13826	2.4
195.15742	2.3
195.17430	16.3
196.09727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00322	0.8
53.03946	2.3
55.01885	1.4
55.05520	0.8
56.96566	0.5
57.09401	0.5
63.92503	0.5
65.03958	0.9
67.05508	1.3
69.92678	1.7
77.03925	0.7
78.04701	0.7
79.05496	13.2
81.03430	0.9
81.07056	1.2
88.15440	0.5
89.03938	4.4
89.06029	0.6
91.05489	10.8
92.06273	0.6
93.07041	1.9
95.04976	4.1
98.21526	0.6
98.97599	1.1
103.05478	11.8
105.03432	0.7
105.04521	0.8
105.07042	12.2
107.04962	100.0
107.08601	1.7
108.05301	1.4
109.06521	1.1
109.98943	0.6
110.03649	0.6
111.04436	0.9
115.05464	7.5
117.03374	9.9
117.07018	2.9
119.04942	1.5
120.05738	4.3
121.06505	1.5
123.04416	2.3
124.05234	2.0
125.06007	1.1
128.47653	0.5
130.96280	0.7
131.04950	1.8
133.06474	1.2
134.03621	1.6
135.04425	1.3
135.08061	24.3
137.06006	2.0
138.06647	0.7
139.03883	2.0
145.02864	18.7
145.06624	0.6
145.07648	2.0
147.04422	3.4
148.05202	1.1
148.97340	0.7
149.05986	5.5
149.09660	0.8
151.03940	1.4
152.04678	1.6
153.05472	0.6
153.97943	0.5
154.06221	5.3
161.05376	0.4
162.03114	0.7
163.03932	1.9
163.07556	35.5
164.08005	0.5
165.05495	2.0
165.06825	0.6
167.03380	0.9
167.07047	31.3
177.05478	19.0
180.07806	8.1
195.02913	1.7
195.06487	1.2
195.08609	1.2
195.10170	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	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01861	2.8
55.05518	12.9
57.03427	1.8
57.07077	4.2
59.04982	0.9
61.03994	0.8
63.02365	1.2
65.03931	2.8
67.05511	11.1
68.96325	1.8
68.99795	58.6
69.03421	3.4
69.07069	22.9
70.06580	3.0
71.05009	4.3
71.08610	1.0
71.51360	0.9
79.05084	1.2
79.05498	14.1
81.03438	3.9
81.06596	1.3
81.07061	21.4
83.04980	6.2
83.08212	1.0
83.08622	10.2
84.08115	1.3
85.02885	1.8
85.06547	3.9
85.10188	19.5
89.03922	25.5
89.06030	2.4
91.05486	11.7
93.03394	1.8
93.07047	14.1
95.04955	4.2
95.08611	17.5
97.06535	5.8
97.10178	5.6
98.06048	1.4
99.08098	4.1
103.05468	6.4
105.03386	1.2
105.04521	1.0
105.07017	6.2
106.04163	1.9
107.04957	19.5
107.08606	26.0
109.02843	1.4
109.06530	4.5
109.10155	9.4
111.04442	5.8
111.08074	6.4
111.11722	4.1
115.05447	1.0
117.03386	50.0
117.07005	2.0
119.04917	1.0
119.08574	1.1
120.05692	0.8
121.02853	2.0
121.06543	4.1
121.10153	16.3
123.08055	1.1
123.11673	2.2
124.05223	1.6
125.06017	1.8
125.09634	37.5
130.96295	2.2
131.04929	1.1
131.08569	3.2
133.10078	1.8
134.03638	8.0
135.04413	9.7
135.08061	9.0
135.11688	9.6
137.05968	3.6
137.09604	1.2
137.13239	3.8
138.06587	0.9
139.03914	4.5
139.07515	1.0
139.11166	2.5
145.02855	83.9
146.03169	1.2
146.11336	0.8
147.04460	1.0
148.97343	3.0
149.02316	1.8
149.05989	20.3
149.09660	5.4
149.13266	4.4
151.03876	1.1
151.14795	1.0
153.00699	0.8
153.09113	100.0
154.06253	9.9
155.07037	1.1
159.07942	0.9
159.11734	1.8
162.03137	1.9
163.03926	12.7
163.07565	5.1
165.06952	1.5
167.03380	1.2
167.07034	4.9
167.08522	2.2
168.10204	2.8
171.98956	1.6
175.87782	0.8
177.05481	98.9
177.09053	2.8
177.12720	2.9
177.16385	12.8
178.05827	1.9
180.07811	1.6
186.05507	2.3
195.02930	13.9
195.06538	5.1
195.08128	3.2
195.10161	20.7
195.11661	1.6
195.13785	3.0
195.15753	1.8
195.17419	17.1
196.09639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0877
Annotation	Caffeine
Peak:m/z	Relative Intensity
53.03938	0.8
56.05038	1.1
63.02374	0.5
65.03940	1.0
67.05515	0.8
68.05012	0.5
69.03428	0.5
69.04555	4.3
69.07071	0.5
70.06601	0.5
70.09536	0.7
70.09940	1.3
73.96186	0.4
78.04713	0.8
79.05495	2.6
81.03427	1.0
81.04549	0.5
81.07079	0.8
83.04987	0.5
83.06106	3.6
86.02161	0.4
89.03916	12.9
91.05474	3.8
92.91942	0.4
93.07059	1.4
95.04970	1.5
97.02884	0.4
97.04008	0.9
103.05483	1.5
105.04517	0.6
105.07022	2.6
106.04166	1.4
107.04965	4.1
107.08592	2.0
107.72588	0.4
108.05755	0.6
109.02881	0.4
109.04014	1.0
109.06533	0.4
109.10215	0.5
109.98935	0.6
110.07171	13.2
111.04453	1.1
111.05588	0.9
112.25298	0.4
113.95451	0.4
117.03388	26.0
117.07082	0.5
120.70589	0.4
121.02887	1.1
121.06518	1.8
121.10126	0.8
123.04298	1.2
124.07525	0.5
125.05991	0.9
127.03909	0.6
130.96330	1.0
131.08595	0.5
133.06500	1.3
133.10158	0.5
134.03627	4.3
135.04433	5.2
135.08078	1.4
135.11688	0.5
136.05122	0.4
137.06024	0.7
138.06633	74.6
139.03883	0.7
139.06940	0.5
145.02855	41.8
146.03171	0.8
148.97348	0.8
149.02316	0.7
149.05994	11.3
149.09624	1.6
150.06790	2.3
150.09160	0.7
151.07549	13.8
152.14398	0.5
153.01837	0.6
153.05478	1.1
162.03168	0.9
163.03914	5.0
163.06587	0.9
165.09109	5.1
167.03403	1.2
167.07042	1.3
167.08417	0.7
168.10262	1.2
171.99071	0.4
177.05478	48.0
177.09053	1.1
195.02924	15.7
195.08780	100.0
196.09340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
51.02380	0.5
53.03943	1.3
53.06049	0.5
55.01871	1.1
55.05510	0.5
55.98732	0.4
57.03433	0.7
63.02392	0.9
63.23697	0.3
64.57588	0.4
65.03944	1.3
67.05514	1.5
69.03455	0.7
69.07056	0.7
70.03281	1.5
70.03615	0.5
71.04974	0.7
73.64010	0.4
78.04727	1.2
79.05495	5.0
81.03426	0.9
81.07055	2.7
83.04994	0.9
83.08630	0.4
85.06568	0.5
89.03922	26.3
89.06015	0.5
91.05492	5.7
93.03396	1.0
93.07065	2.8
95.04969	1.8
95.08608	1.6
97.02922	0.4
97.06543	1.3
97.10166	0.4
101.19048	0.4
101.19741	0.4
103.04877	0.4
103.05485	2.8
105.03440	0.9
105.04546	0.8
105.07039	3.8
106.04169	2.7
106.04785	0.4
106.07349	0.7
107.04961	15.4
107.07900	0.3
107.08590	2.9
109.02859	0.6
109.06508	0.7
109.10149	0.8
111.04452	1.0
111.08093	0.4
115.05461	0.9
117.03386	55.1
117.06992	0.7
118.03629	0.4
119.04971	1.1
119.08614	0.5
119.88193	0.4
121.02885	0.9
121.06514	2.7
121.10146	2.1
123.04404	0.5
123.08063	0.6
124.05240	0.5
125.06000	1.2
130.96310	0.9
131.04918	0.5
131.08536	0.5
133.02844	0.5
133.06531	0.8
133.10103	0.5
134.03627	9.1
135.04428	8.9
135.07166	0.7
135.08080	3.1
135.11659	2.0
137.05983	1.2
139.03925	0.8
145.02853	94.7
147.04449	0.6
148.97345	0.7
149.05988	24.8
149.09627	1.9
149.13287	0.7
151.07593	0.8
152.04768	0.4
152.14363	1.1
153.05473	1.2
162.03102	2.0
163.03909	13.1
163.07584	3.5
167.03400	0.6
167.07063	3.0
167.08423	0.8
171.98940	0.8
177.05478	100.0
177.16527	0.5
177.83841	0.4
178.05832	1.7
180.07848	0.6
186.05571	1.3
195.02893	4.0
195.06601	2.7
195.10432	2.1
195.11720	0.5
195.13708	0.6
204.37611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
57.05393	0.6
62.34698	0.7
63.02381	1.0
65.03940	0.9
70.24107	2.2
78.04720	0.9
79.05497	1.5
81.03483	0.7
87.29473	0.7
89.03922	25.4
91.05499	3.3
93.07036	1.1
95.04951	0.9
103.05512	1.1
106.04169	2.1
107.04984	1.5
110.07259	0.6
117.03384	53.1
121.06544	0.8
125.06071	0.9
133.05925	1.1
134.03642	7.4
135.04424	4.4
145.02853	86.4
149.05995	21.9
149.09598	0.9
160.05078	1.7
161.05460	11.2
162.03154	2.0
162.05750	3.9
163.03909	7.0
163.05855	17.9
177.05478	100.0
178.05956	0.8
181.14931	0.7
186.05521	1.1
195.02852	1.6
195.06622	1.6
195.08485	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	194.1178
Annotation	Winterstein's acid
Peak:m/z	Relative Intensity
50.42070	0.3
53.03928	0.3
56.05033	0.4
56.96569	0.4
58.06596	2.4
65.03938	0.7
67.05511	0.4
69.03422	0.5
69.77965	0.7
69.78377	1.2
70.06598	0.7
73.24406	0.3
77.02436	0.3
79.05499	4.9
81.03406	0.6
81.07069	0.7
82.06621	0.3
83.05003	0.3
87.04482	0.4
89.03920	1.9
91.05475	1.5
93.07066	0.9
94.06571	0.4
95.04963	0.5
96.04549	0.5
98.06076	0.4
101.98590	0.3
102.04947	0.6
102.05555	5.8
103.05479	10.9
105.07034	3.8
106.07345	0.4
107.04962	7.8
107.05632	0.6
110.06047	0.6
111.04478	0.5
116.98662	0.3
117.03389	4.0
118.06467	0.5
120.08137	0.6
121.06524	1.2
131.04933	6.4
132.08099	0.4
133.08891	10.2
133.09915	0.5
134.03636	0.7
134.05977	0.6
134.06905	0.5
135.04416	0.7
139.75220	0.4
145.02850	6.8
148.07567	1.4
148.11220	100.0
149.06004	3.8
149.11615	1.0
150.09198	0.4
152.04503	0.4
152.07150	0.4
162.06378	0.4
163.03905	0.8
166.05016	0.9
166.08589	0.7
176.03461	3.4
176.07097	1.2
176.10747	0.9
177.05486	7.7
178.06331	0.3
188.92468	0.5
189.04497	0.4
194.04414	2.2
194.08064	2.1
194.11781	27.2
194.15388	3.3
195.02916	0.5
195.11995	0.3
211.93942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0289
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
51.89524	0.3
55.01867	0.8
55.05499	0.4
57.03437	4.0
65.03944	9.6
67.01858	1.0
67.05493	0.7
68.99439	0.6
68.99791	6.5
69.03432	1.4
69.07076	0.4
70.09500	1.2
71.01351	0.4
76.75026	0.3
79.01846	0.8
79.05470	0.6
81.03418	1.9
81.07065	0.6
82.00254	0.3
83.01344	0.6
83.04964	0.9
85.02911	7.9
89.03937	0.7
91.05466	0.5
92.25964	0.3
92.54830	0.2
93.03415	2.4
93.07056	1.3
95.04977	0.7
97.02893	1.3
107.01306	0.8
107.04942	1.2
107.08614	0.8
107.97616	0.3
109.02919	1.3
109.06522	0.3
110.03641	0.4
111.00790	0.4
111.04447	16.3
113.02377	0.5
117.03392	1.7
121.02875	15.6
121.03936	1.7
121.06492	0.5
121.10150	0.5
122.03264	0.3
123.04435	0.6
124.01588	0.7
125.02330	1.5
126.03215	0.4
127.03940	1.9
133.10126	0.4
135.00769	0.8
135.04393	0.4
135.11710	0.4
136.01544	0.4
137.02319	0.8
138.03062	0.4
139.03905	15.9
140.04312	0.4
145.02853	3.2
149.02350	13.8
149.05969	0.7
151.03970	0.3
153.01836	13.6
154.02611	4.1
163.03839	0.5
164.01056	0.8
166.02591	1.1
167.03409	28.6
168.03728	0.5
171.02864	2.6
177.01836	2.4
177.05478	3.8
182.07013	0.3
190.04932	0.3
195.02899	100.0
196.03281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05507	12.1
57.07058	2.4
67.05503	7.7
68.93861	1.7
69.06734	2.0
69.07073	27.3
69.66776	8.8
71.04995	18.5
79.05496	8.3
81.07059	19.2
82.09292	1.4
83.08620	4.9
85.06541	12.4
91.05469	6.0
93.07050	22.3
95.04976	35.8
95.08615	16.8
97.06525	2.9
97.10152	8.1
99.08076	4.6
105.07022	11.0
107.08596	29.2
109.06521	100.0
109.10159	14.5
111.08098	6.2
111.11723	2.9
113.02832	1.6
115.04472	1.5
119.08573	23.5
121.10146	9.7
123.08076	5.8
123.11687	17.9
133.10149	21.5
135.11691	36.0
137.09627	13.3
147.11713	5.4
149.02319	1.6
149.13255	8.5
151.11192	4.8
161.05441	2.9
165.05493	2.2
175.14818	37.4
193.09721	2.9
193.12335	2.5
193.15891	58.8
193.17677	3.0
196.58482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03932	3.9
55.01854	3.4
55.05271	1.8
55.05512	22.9
56.69083	1.1
57.03429	3.5
57.07080	7.5
59.04992	2.9
65.03941	3.0
67.05508	30.9
69.03435	14.7
69.07071	21.3
69.29125	3.2
69.29545	6.9
70.31062	1.0
71.05003	5.2
71.08629	1.9
73.42004	1.0
78.47970	1.1
79.05496	17.3
81.03432	5.0
81.06591	2.0
81.07060	37.6
83.04990	25.9
83.08624	16.2
85.06548	7.0
87.08128	1.4
91.04977	1.5
91.05491	19.0
93.07047	29.4
95.04977	6.1
95.08610	60.1
97.06516	6.2
97.10182	2.8
99.08095	3.7
100.90264	1.0
103.05466	4.3
105.07038	47.7
107.04960	1.5
107.08598	53.1
109.05807	1.9
109.06525	21.3
109.10161	95.0
111.08095	10.2
115.05465	5.3
117.06986	4.8
118.04125	1.8
119.04980	1.5
119.06148	1.5
119.08584	68.9
121.10149	34.7
123.04442	2.1
123.07202	2.1
123.08077	42.3
123.11714	12.7
125.09628	3.4
129.07024	1.5
131.08548	2.0
133.02838	1.8
133.06503	20.9
133.10141	46.9
135.08113	1.7
135.11697	100.0
136.12016	1.4
137.05968	4.9
137.09619	37.8
138.10416	2.7
143.06041	1.8
145.10045	2.5
147.04327	1.5
147.07997	2.6
147.11713	8.4
149.02318	1.7
149.13271	19.0
151.03894	2.6
151.11162	12.3
151.14799	9.0
160.05069	5.8
161.05362	28.4
165.05495	2.0
165.09100	4.1
165.12740	1.2
165.16373	3.3
173.13243	1.2
175.14827	50.0
178.02632	2.2
193.04979	9.6
193.08342	11.4
193.12224	3.3
193.15892	80.6
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	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03938	4.2
53.61787	2.1
55.05516	30.4
57.03422	3.7
57.07062	9.3
59.05006	3.6
61.53182	2.0
67.05511	33.2
69.03438	16.4
69.07068	25.6
70.82473	4.0
73.71870	2.0
79.05499	12.2
80.23486	2.0
81.07062	40.2
83.04988	30.3
83.08645	18.4
85.06526	6.6
87.70361	1.9
88.40386	2.0
91.05503	14.8
92.14364	2.1
93.07049	28.5
95.04951	4.5
95.08617	73.1
97.06535	5.8
97.10184	3.7
99.08076	5.0
103.05479	3.2
105.07037	28.9
107.08607	56.5
109.06551	20.7
109.10169	91.3
111.08084	14.4
117.07065	3.0
118.04130	2.7
119.08598	69.8
121.10162	39.4
123.08076	48.7
123.11736	17.3
125.09636	3.1
133.06502	7.6
133.10144	56.5
135.11703	91.2
136.12088	2.2
137.09630	39.3
138.10381	4.5
140.89468	2.3
145.10017	2.5
147.11659	6.8
149.13271	19.9
150.06920	2.0
151.11188	13.5
151.14819	9.1
156.28378	2.2
161.05316	10.7
165.12727	2.5
165.16472	3.4
175.14854	54.6
193.04980	6.1
193.08473	8.3
193.12227	3.8
193.15901	100.0
194.16270	3.1
199.93846	2.1
201.35915	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03941	3.2
53.59656	1.9
55.05514	30.8
56.90491	1.9
57.07077	9.7
59.05001	3.9
63.02062	1.6
65.03932	2.5
67.05510	30.5
69.03430	15.0
69.07069	23.9
69.98746	9.3
71.04977	4.3
71.08595	2.0
79.05483	9.6
81.07060	41.6
83.04992	33.5
83.08620	16.8
85.06526	6.0
87.08062	2.0
91.04996	2.0
91.05470	13.1
93.07053	25.4
95.04982	2.8
95.08611	66.5
97.06501	4.9
97.10165	4.4
98.20712	2.6
99.08033	2.0
105.07035	26.0
107.08603	55.5
109.06541	21.8
109.10162	100.0
111.08083	12.6
119.08586	70.2
119.90401	1.6
121.10149	42.9
123.08082	50.9
123.11720	13.3
125.09644	3.6
131.08549	1.9
133.10143	53.2
135.11699	94.8
137.09627	39.4
138.10385	5.2
147.11646	5.9
149.12210	1.9
149.13272	20.5
151.11223	14.4
151.14825	11.7
165.16457	3.5
175.14850	53.6
193.15895	90.0
194.16234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42257	1.2
52.66645	1.0
53.03940	3.2
53.29142	1.0
55.01876	4.2
55.05515	24.1
57.03434	4.7
57.07075	7.2
58.94423	1.2
59.05008	1.9
61.78315	1.3
65.03947	2.0
67.05510	31.5
69.03433	16.6
69.07075	22.4
71.04994	7.1
71.30246	2.0
77.03932	1.4
79.05498	20.8
81.03414	6.2
81.07063	41.1
83.01358	1.5
83.04989	25.1
83.08617	13.8
85.06549	8.7
91.05486	22.9
93.06477	2.4
93.07049	30.5
95.04984	8.6
95.08614	70.6
97.06525	5.4
97.10165	4.4
99.08090	5.4
103.05485	6.5
104.06245	1.8
105.03403	1.3
105.07043	57.0
107.04955	2.2
107.08605	63.9
109.06535	25.9
109.10165	90.4
109.95660	1.1
110.10487	1.5
111.08084	13.1
115.05470	7.0
117.07011	4.8
118.04150	3.6
119.04966	1.4
119.08591	78.5
121.06506	2.4
121.10157	39.1
123.04419	2.0
123.08080	46.8
123.11708	12.6
125.09621	2.6
129.07013	1.7
131.08571	2.9
132.05626	1.3
133.02866	3.4
133.06520	26.0
133.10141	54.8
134.10573	1.4
135.11700	100.0
137.05977	7.5
137.09633	37.8
137.10539	0.9
137.13158	1.3
138.10406	3.6
139.11177	2.1
145.10097	2.3
147.04402	2.3
147.08032	4.2
147.11703	9.7
149.02361	2.1
149.13268	23.5
151.03978	2.9
151.11174	14.4
151.14809	9.0
160.05090	7.3
161.05351	34.7
165.05490	3.2
165.09085	5.7
165.12747	1.9
165.16412	5.2
175.07471	1.7
175.14839	54.8
178.02621	3.1
193.05013	12.3
193.08423	13.9
193.12228	4.0
193.15891	85.2
194.16345	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03936	6.1
55.01887	10.0
55.05514	10.0
57.03427	8.0
65.03932	3.7
67.05510	57.7
67.07989	2.2
69.03419	6.8
69.07066	17.7
71.04975	5.5
77.03927	3.4
78.71518	1.9
79.05072	3.3
79.05499	48.5
81.03431	16.4
81.06593	2.7
81.07063	51.4
83.04989	12.4
83.08595	4.9
85.06541	4.1
86.76191	1.6
91.05489	90.6
92.05803	2.2
93.07058	26.8
95.04984	24.9
95.08621	18.7
97.02876	6.3
97.06543	27.3
98.20729	4.3
99.08063	3.5
103.05450	6.2
104.74696	2.0
105.04491	2.3
105.07038	86.1
107.04958	11.4
107.08613	12.1
109.06532	20.5
109.10136	6.5
111.04455	4.1
111.08071	4.0
113.06000	5.2
115.05463	4.9
117.07017	3.9
118.04160	3.1
119.04979	2.2
119.08592	56.9
121.06521	4.6
121.07634	2.5
121.10154	12.7
123.04421	4.9
123.08069	4.1
125.05970	2.3
128.06157	2.9
129.07018	25.3
131.08574	23.7
133.06526	24.6
133.10136	82.4
135.11673	2.0
137.09625	4.4
142.07767	8.3
147.08069	6.8
147.11708	100.0
149.02362	7.4
149.09628	24.0
151.07574	3.2
151.11176	3.4
157.10144	51.2
160.05040	4.9
161.05350	29.5
165.12752	14.2
175.11200	80.8
189.04254	2.7
193.05008	11.4
193.08456	10.1
193.12254	72.6
193.15901	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	193.0861
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02385	1.1
53.03948	5.0
55.01867	5.5
55.05507	1.8
57.03424	3.3
65.03954	3.0
66.04711	3.2
67.05497	4.0
69.03416	2.5
69.26526	6.1
69.26964	4.6
75.04491	1.6
77.03934	1.9
79.05499	40.2
81.03413	5.5
81.07062	3.9
90.04702	4.2
91.05482	29.4
92.06260	4.2
93.07043	5.3
93.65208	1.2
94.04205	1.9
95.04961	7.2
95.08588	2.2
103.05467	31.2
104.06241	5.7
105.04532	2.5
105.07034	100.0
107.04956	18.3
107.08570	2.7
108.05730	1.5
109.02886	2.2
109.06552	4.4
109.10191	2.8
111.04436	1.5
115.05466	14.3
117.07037	1.9
118.04169	39.0
119.04949	8.0
119.08620	3.4
120.05743	8.5
121.06508	14.1
122.03674	1.7
122.07319	11.1
123.08104	1.9
124.05220	5.9
131.04944	4.3
132.05704	5.5
133.06500	97.7
133.10127	3.8
134.07300	4.6
135.04405	14.0
135.08060	12.9
137.05994	18.1
143.04915	1.2
143.06047	2.3
146.03661	3.5
147.04408	5.8
147.08041	2.4
147.11662	1.6
148.05191	5.5
149.05986	16.7
150.06766	44.4
151.07515	1.4
151.11211	1.2
160.05116	6.3
161.05510	35.7
165.09123	44.6
175.14806	1.3
178.06262	6.8
193.04991	5.3
193.08617	72.1
193.15825	6.3
194.08893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.0
50.70444	0.0
51.02373	0.0
52.01690	0.0
52.01901	0.0
59.01129	0.0
59.01391	0.0
63.02378	0.0
64.03152	0.0
65.03959	0.1
69.00941	0.1
69.69260	0.1
74.09702	0.0
79.05493	0.0
80.05059	0.0
81.07032	0.0
90.03392	0.1
91.05444	0.0
92.04998	0.4
93.07088	0.0
104.52551	0.0
105.04516	0.3
105.07025	0.1
107.06059	0.0
107.08553	0.0
109.06570	0.0
109.10128	0.0
117.04511	0.1
117.06979	0.0
118.05189	0.1
119.08522	0.0
121.10133	0.0
131.08578	0.1
132.05568	3.1
133.06332	0.5
133.07401	0.0
133.10144	0.1
134.07085	0.0
135.04567	0.0
135.05522	0.5
135.08049	0.0
144.05472	0.0
145.10143	0.0
148.08633	0.1
158.10921	0.0
159.04161	0.1
159.75064	0.0
159.76381	0.0
160.05045	100.0
160.34377	0.0
173.13174	0.0
191.14461	0.1
192.07661	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	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
58.64369	0.2
61.64825	0.2
69.22904	2.1
80.08022	0.2
80.37821	0.2
87.19037	0.2
92.05010	0.3
98.21500	0.5
101.62732	0.2
107.84092	0.2
113.61640	0.3
132.05586	2.7
133.06387	0.5
135.05569	0.3
160.05075	100.0
161.05417	0.7
188.76035	0.2
192.07690	18.1
193.08105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0856
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03951	7.0
55.01871	8.2
55.05520	9.9
57.03434	10.1
57.07072	1.4
59.05009	1.3
63.13211	1.2
65.03941	4.6
66.04718	4.9
67.05509	20.8
69.03426	4.6
69.07068	6.0
70.90540	2.3
70.90866	1.7
71.04996	25.8
76.22800	1.3
77.03916	2.6
78.04695	2.1
79.05497	48.8
81.03424	55.4
81.07061	19.7
83.01321	2.5
83.04997	6.7
83.08619	7.8
85.02917	2.1
85.06525	2.2
89.03921	1.8
90.04686	5.9
91.05486	51.8
92.06245	3.4
93.07051	18.9
94.04196	2.9
95.04371	2.5
95.04977	35.3
95.08625	8.8
97.02940	2.6
97.06527	5.2
103.05476	35.6
104.06253	3.9
105.04526	2.4
105.07036	100.0
106.07343	1.4
107.04955	18.4
107.08588	9.4
108.05772	2.5
109.02906	9.6
109.06525	10.5
109.10162	7.5
111.04459	2.3
111.08090	2.9
115.05470	11.8
116.06172	1.3
117.06981	2.3
118.04173	67.7
119.04987	9.4
119.08604	16.9
120.05742	5.3
121.06511	16.8
121.10147	9.3
122.07316	7.8
123.04452	2.9
123.08110	5.8
123.11714	5.0
124.05213	21.1
128.06209	1.1
129.07014	10.8
131.04961	4.8
131.08586	9.6
132.05725	3.1
133.02872	2.3
133.06509	95.0
133.10133	36.9
133.11098	2.4
134.07330	7.3
135.04453	10.0
135.08076	10.9
135.11729	8.3
135.30943	1.2
137.05995	7.9
137.09612	4.1
142.07816	3.2
143.06075	2.9
145.10146	1.8
146.03596	1.9
146.97408	1.6
147.04424	3.4
147.08037	4.2
147.11681	13.7
148.05190	1.8
149.02406	1.8
149.06029	4.6
149.09589	6.7
149.13283	2.0
150.06769	27.8
151.03928	15.1
151.07529	7.0
151.11223	4.2
151.14816	1.7
157.10135	10.0
160.05106	8.0
161.03572	1.4
161.03914	2.5
161.05551	35.2
163.07590	2.3
165.05540	2.7
165.09122	22.5
167.15277	1.2
175.03883	1.6
175.07576	2.2
175.11211	14.8
175.14903	9.3
177.89449	1.5
178.02644	2.2
178.06277	2.7
189.47639	1.3
193.04976	9.5
193.08577	42.9
193.12225	21.0
193.15872	26.5
194.08031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.01850	1.2
55.05521	5.0
57.03428	1.8
57.07061	2.2
58.62079	0.9
59.04994	1.0
65.24862	1.0
67.05505	6.6
69.03418	3.1
69.07078	8.6
69.83879	3.9
71.04979	2.7
72.35508	0.9
79.05495	10.0
81.07063	11.3
83.04967	3.5
83.08607	4.3
84.63174	1.1
85.06542	2.4
91.05485	19.4
93.07055	15.2
95.04951	4.4
95.08163	0.9
95.08624	9.0
97.06534	6.5
98.20850	1.8
103.05451	3.7
105.07036	30.2
107.04954	2.0
107.08601	23.9
109.06512	4.7
109.10149	7.6
111.08067	1.9
115.05449	2.3
116.06192	1.4
117.07011	5.3
119.08586	14.3
121.06525	5.8
121.10162	14.8
123.08085	5.9
123.11724	1.1
129.07013	2.1
130.07762	1.7
131.04904	3.4
131.08568	28.3
132.05533	2.0
133.10136	73.9
135.08069	12.6
135.11720	4.7
143.08556	6.8
144.09315	2.1
144.20433	1.0
145.10130	15.4
147.11678	8.2
148.05191	1.3
148.08817	1.7
149.05948	2.1
149.09628	23.1
149.13272	10.6
158.10916	9.0
159.15576	0.8
160.05072	100.0
161.09633	1.5
163.07494	1.8
163.11147	1.3
163.14833	4.0
173.13271	33.9
175.46498	0.9
176.04666	1.8
176.11864	1.1
191.03323	1.2
191.06993	4.7
191.10713	5.2
191.14311	48.0
192.07706	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	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01868	2.6
55.05501	7.4
57.03425	2.7
63.54621	2.2
67.05514	23.1
68.83743	2.3
69.03414	10.5
69.07080	11.3
70.66880	3.4
70.67214	4.7
71.04993	20.5
79.05490	17.5
80.74324	2.4
81.07059	18.1
83.04957	4.6
83.08595	3.2
85.06559	7.9
91.05487	21.6
93.07057	18.0
95.04969	9.5
95.08624	13.6
97.06544	5.2
103.05486	2.4
105.07033	34.2
107.08606	43.5
109.06538	31.0
109.10161	80.8
117.07032	4.7
119.08579	15.7
121.06507	7.1
121.10157	33.2
123.08047	12.6
124.77676	2.1
126.99414	2.1
129.07004	4.9
131.08580	44.9
133.10143	49.0
135.08063	71.2
135.11667	4.4
137.09596	4.8
143.08548	4.9
145.10139	12.7
147.11690	12.1
148.08824	3.0
149.09636	12.1
149.13235	14.0
158.10919	15.8
160.05087	44.6
163.14886	4.0
173.13286	48.6
191.07068	3.8
191.14319	100.0
192.07666	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	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39466	0.9
55.01880	3.3
55.05511	4.1
57.03419	1.0
57.07077	2.4
64.86159	1.1
65.03931	1.3
67.05505	9.2
69.03441	14.4
69.07083	9.4
70.66961	3.1
71.04999	1.4
77.74538	1.0
79.05502	10.1
81.07065	11.8
83.04977	7.6
83.08634	1.4
83.92657	1.1
85.06541	2.8
89.03934	1.3
90.31589	1.0
91.05476	13.5
93.07049	12.4
95.05008	5.2
95.08620	16.7
97.02848	1.0
97.06536	7.2
100.45911	1.0
103.05471	9.7
105.07030	15.8
107.04969	9.9
107.08602	23.7
107.82726	1.0
109.06536	11.9
109.10169	9.3
115.05447	1.5
117.07044	7.4
119.08598	12.9
121.06529	8.4
121.10159	13.7
123.04436	3.8
123.08093	5.3
129.07057	3.0
130.04109	1.3
130.07788	1.6
131.04945	17.1
131.08585	20.1
132.05609	3.3
133.02840	1.3
133.10152	17.8
135.08072	22.1
135.11691	7.3
143.08574	5.7
144.05740	1.6
144.09348	1.9
145.06525	6.1
145.10136	16.9
147.08052	2.4
147.11690	8.0
148.05209	2.3
149.02354	1.2
149.05998	26.6
149.09641	16.3
149.13300	7.2
150.10396	2.6
155.08548	1.9
158.10912	8.4
160.05080	81.1
161.09653	3.2
162.10338	1.2
163.03911	1.9
163.07564	3.9
163.11188	7.5
163.14874	4.0
164.03487	1.8
173.09656	14.4
173.13280	36.0
176.04761	1.4
176.11972	4.0
186.74554	1.0
191.03392	4.1
191.04855	2.2
191.07011	8.5
191.10722	22.0
191.14325	100.0
192.07715	12.2
192.14679	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.92572	1.3
53.03932	1.2
55.05508	4.2
57.07067	1.3
67.05518	4.2
69.03436	10.8
69.06728	1.2
69.07069	4.1
70.13885	5.4
78.98860	1.1
79.05506	9.9
81.07060	10.9
83.04975	2.0
83.81704	1.2
91.05504	8.0
93.07059	7.0
95.04978	2.3
95.08607	4.3
95.61349	1.4
98.20898	1.5
105.07044	13.8
107.04971	5.2
107.08603	23.7
109.06506	1.9
109.10147	13.4
112.53243	1.3
117.07023	2.7
119.08569	5.4
121.06510	2.6
121.10158	16.6
122.07277	2.6
123.08100	2.1
131.08563	9.2
131.66795	1.1
133.10144	100.0
135.08112	6.3
135.08990	1.3
135.11684	3.6
136.96036	1.3
137.09625	12.2
143.08569	2.9
144.09323	1.3
145.10121	5.1
147.11710	3.3
149.09631	3.6
149.13269	13.0
158.10968	6.9
160.05099	4.1
161.09662	1.3
163.14861	2.4
167.75078	1.2
173.13298	16.6
191.14336	24.1
192.07646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03944	1.9
55.01865	2.1
55.05500	4.8
57.03428	2.3
57.07058	2.2
67.05507	8.4
69.03415	3.0
69.07069	10.7
69.20351	1.5
71.04997	3.8
71.45971	3.0
79.05502	10.3
81.07059	9.5
83.05000	2.4
83.08604	2.4
85.06570	1.5
85.28168	1.7
91.05489	18.1
93.07060	18.0
95.04954	3.4
95.08598	7.0
97.06509	5.7
103.05470	2.0
105.07038	44.1
107.08600	42.2
109.06497	9.6
109.10162	15.5
117.07009	7.2
119.08591	23.1
121.06506	7.2
121.10155	26.7
121.11040	2.4
123.08093	5.4
123.11676	3.2
129.07007	3.0
130.07698	1.6
131.08583	39.9
133.10141	100.0
135.08067	20.6
135.11694	5.5
143.07526	1.8
143.08536	10.3
144.09348	3.5
145.10138	25.1
147.11703	15.1
149.09663	5.1
149.13258	27.5
158.10915	15.8
160.05035	3.1
163.11203	3.1
163.14850	5.0
173.09741	1.6
173.11781	2.9
173.13281	57.7
191.06943	2.1
191.10696	3.4
191.14319	58.1
192.06543	3.3
207.94057	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03915	1.3
55.01850	1.2
55.05521	5.0
57.03428	1.8
57.07061	2.2
58.62079	0.9
59.04994	1.0
65.24862	1.0
67.05505	6.6
69.03418	3.1
69.07078	8.6
69.83879	3.9
71.04979	2.7
72.35508	0.9
79.05495	10.0
81.07063	11.3
83.04967	3.5
83.08607	4.3
84.63174	1.1
85.06542	2.4
91.05485	19.4
93.07055	15.2
95.04951	4.4
95.08163	0.9
95.08624	9.0
97.06534	6.5
98.20850	1.8
103.05451	3.7
105.07036	30.2
107.04954	2.0
107.08601	23.9
109.06512	4.7
109.10149	7.6
111.08067	1.9
115.05449	2.3
116.06192	1.4
117.07011	5.3
119.08586	14.3
121.06525	5.8
121.10162	14.8
123.08085	5.9
123.11724	1.1
129.07013	2.1
130.07762	1.7
131.04904	3.4
131.08568	28.3
132.05533	2.0
133.10136	73.9
135.08069	12.6
135.11720	4.7
143.08556	6.8
144.09315	2.1
144.20433	1.0
145.10130	15.4
147.11678	8.2
148.05191	1.3
148.08817	1.7
149.05948	2.1
149.09628	23.1
149.13272	10.6
158.10916	9.0
159.15576	0.8
160.05072	100.0
161.09633	1.5
163.07494	1.8
163.11147	1.3
163.14833	4.0
173.13271	33.9
175.46498	0.9
176.04666	1.8
176.11864	1.1
191.03323	1.2
191.06993	4.7
191.10713	5.2
191.14311	48.0
192.07706	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.05513	7.6
57.03432	2.2
57.07069	2.3
59.04993	2.0
65.03930	2.0
67.05508	8.5
69.03422	4.3
69.07081	10.8
71.04993	4.9
71.46193	2.4
71.46572	1.2
79.05493	12.6
81.07065	12.6
83.04985	5.0
83.08619	3.7
85.06544	3.6
91.05495	27.9
93.07053	18.9
95.04981	4.5
95.08601	11.0
97.06548	8.5
103.05473	3.1
105.07040	50.8
107.04953	2.2
107.08606	43.9
108.53047	1.2
109.06520	13.0
109.10166	15.3
111.08010	2.1
114.68597	1.2
115.05446	2.9
116.06236	1.9
116.43414	1.3
117.07004	7.8
118.06495	1.9
119.08591	27.7
121.06533	7.1
121.07288	1.2
121.10156	26.5
122.46815	1.3
123.08074	8.0
123.11704	4.2
129.07011	6.5
130.07774	2.8
131.04918	3.3
131.08580	49.1
133.10143	100.0
134.06026	2.2
134.10428	1.4
135.08064	26.4
135.11714	5.5
143.08607	10.5
144.09357	3.8
145.06445	2.1
145.10127	27.7
146.06017	3.6
147.07997	1.8
147.11716	13.7
148.08897	1.7
149.09610	9.2
149.13275	24.6
150.10545	1.8
158.10934	17.9
160.05110	8.1
161.09692	2.1
163.07568	2.8
163.11163	2.8
163.14864	5.6
164.07059	7.3
173.13290	61.5
191.03326	1.4
191.07008	3.5
191.10661	3.5
191.14323	61.5
192.06532	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	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03936	2.2
55.01871	3.0
55.05514	12.0
56.96558	2.2
57.03442	2.4
57.07072	3.6
59.04971	1.8
65.03928	2.9
67.05510	16.5
69.03432	7.2
69.07072	15.4
69.84662	5.0
71.04986	9.4
72.93785	3.1
79.05506	15.8
81.07067	19.7
83.04990	6.0
83.08620	19.8
85.06551	3.2
90.94832	1.4
91.05486	25.9
93.07052	14.6
95.04971	12.4
95.08604	14.4
97.02939	1.5
97.06530	9.1
98.20831	2.6
98.97548	2.2
103.05413	2.8
105.07040	42.1
106.06575	12.4
107.04959	3.9
107.08603	30.5
109.06534	27.7
109.10168	46.7
115.05441	5.0
117.07014	11.9
118.06497	1.5
119.08591	16.5
121.06504	7.1
121.10147	20.4
123.08062	12.3
123.11717	22.6
123.59821	1.7
129.07022	4.6
131.04948	2.8
131.08583	53.8
132.95830	4.4
133.10143	100.0
135.08063	57.8
135.11682	4.0
143.08583	9.3
145.06544	2.4
145.10117	20.7
146.05992	2.4
147.08046	2.4
147.11696	13.7
148.08794	2.2
149.09630	9.0
149.13263	12.3
150.10376	1.6
150.96902	4.4
158.10902	11.9
160.05063	10.2
161.09618	3.6
163.03929	2.4
163.07487	2.4
163.11220	3.1
163.14801	4.4
167.97227	2.0
173.13274	58.2
176.04692	1.8
188.54918	1.9
191.03346	2.8
191.07062	4.5
191.10704	5.2
191.14322	72.3
191.97110	1.3
192.06474	1.5
192.14615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01870	1.6
55.05513	3.4
56.89808	0.7
57.03436	1.1
57.07064	0.9
65.03933	0.9
67.05498	5.4
69.03436	4.9
69.07074	5.8
71.04990	1.8
71.42904	1.0
72.86299	0.7
75.31968	0.6
77.03915	0.9
79.05502	8.5
81.03404	0.9
81.07065	9.4
83.04987	2.3
83.08599	1.6
85.06539	1.1
91.05488	9.1
93.07043	7.9
95.04971	3.1
95.08617	6.9
97.06543	1.7
97.10194	1.0
100.12612	0.8
102.04659	0.9
103.05477	48.4
104.05810	0.9
105.03410	0.8
105.04512	0.7
105.07043	12.7
107.04967	4.3
107.08603	17.1
109.06530	5.3
109.10169	11.2
115.05425	1.6
116.06245	1.8
117.07030	13.3
118.04183	1.1
119.08588	4.8
121.06529	4.5
121.10155	9.6
123.04436	19.9
123.08077	3.0
123.11695	0.9
129.07040	2.7
130.04121	1.7
130.07771	2.9
131.04938	80.9
131.08562	12.2
132.05482	2.4
133.06447	1.3
133.10133	17.8
135.04459	1.1
135.05608	1.0
135.08060	13.9
135.11697	5.6
137.05981	1.7
137.09622	2.0
143.08586	3.3
144.05702	4.0
145.06488	14.0
145.10139	22.7
147.11679	4.8
148.05170	2.9
148.08951	1.0
149.05992	100.0
149.09610	4.4
149.13268	4.5
150.06323	1.6
155.06075	1.7
155.08519	2.4
158.07310	5.4
158.10880	3.9
160.05074	79.8
161.09625	1.9
162.06831	3.7
163.03941	0.8
163.07639	3.8
163.11224	1.9
163.14796	1.1
173.09634	26.0
173.13257	12.1
176.04736	1.1
176.08263	1.6
191.03452	2.2
191.07047	7.2
191.10689	47.7
191.14304	30.0
191.15881	1.0
191.17986	2.9
192.06290	0.8
192.07748	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	190.0501
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
55.01867	0.6
56.96568	1.1
60.08170	0.5
67.05501	0.6
71.14100	0.8
73.49038	0.3
74.87615	0.3
77.34721	0.3
79.05478	0.5
81.07046	0.3
85.02902	0.6
89.03906	1.0
90.94833	0.5
91.05482	0.9
97.40076	0.3
98.97597	0.8
99.04497	0.3
99.28633	0.3
100.97787	0.3
103.05586	0.3
105.07037	0.6
106.06559	0.3
109.10214	0.3
113.52778	0.3
116.04989	3.3
120.08106	0.7
121.02835	0.7
121.06570	0.5
133.10147	0.6
134.05997	0.6
135.08109	0.4
144.04457	1.4
144.08110	0.5
146.91043	0.3
148.97375	1.2
149.02376	0.4
162.05513	100.0
163.05981	1.7
167.05544	0.4
167.97162	0.5
172.07596	0.8
173.13341	0.5
190.02202	1.1
190.05002	32.3
190.08531	2.5
190.16359	0.3
191.03348	0.6
191.14302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99063	1.0
55.05512	0.9
57.07081	26.4
59.98867	0.5
59.99115	5.0
60.22956	0.6
70.03921	2.7
78.00159	41.1
80.77750	0.6
81.07059	0.7
84.08154	1.5
86.09722	9.9
91.05452	0.7
92.01698	0.8
98.18220	0.5
105.07038	1.3
107.08647	0.6
109.10091	0.6
110.23073	0.6
116.05324	1.3
119.08638	0.5
121.02838	0.6
121.10110	1.3
123.11691	0.9
131.04950	1.3
133.10106	0.9
134.06363	46.7
147.04355	0.9
148.05321	0.6
148.07938	3.4
149.02385	1.1
175.03969	1.2
190.06206	2.0
190.08820	2.1
190.12622	100.0
191.07033	1.2
191.10680	0.9
191.12802	1.2
191.14398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03947	1.6
55.01870	1.6
55.05513	3.4
56.89808	0.7
57.03436	1.1
57.07064	0.9
65.03933	0.9
67.05498	5.4
69.03436	4.9
69.07074	5.8
71.04990	1.8
71.42904	1.0
72.86299	0.7
75.31968	0.6
77.03915	0.9
79.05502	8.5
81.03404	0.9
81.07065	9.4
83.04987	2.3
83.08599	1.6
85.06539	1.1
91.05488	9.1
93.07043	7.9
95.04971	3.1
95.08617	6.9
97.06543	1.7
97.10194	1.0
100.12612	0.8
102.04659	0.9
103.05477	48.4
104.05810	0.9
105.03410	0.8
105.04512	0.7
105.07043	12.7
107.04967	4.3
107.08603	17.1
109.06530	5.3
109.10169	11.2
115.05425	1.6
116.06245	1.8
117.07030	13.3
118.04183	1.1
119.08588	4.8
121.06529	4.5
121.10155	9.6
123.04436	19.9
123.08077	3.0
123.11695	0.9
129.07040	2.7
130.04121	1.7
130.07771	2.9
131.04938	80.9
131.08562	12.2
132.05482	2.4
133.06447	1.3
133.10133	17.8
135.04459	1.1
135.05608	1.0
135.08060	13.9
135.11697	5.6
137.05981	1.7
137.09622	2.0
143.08586	3.3
144.05702	4.0
145.06488	14.0
145.10139	22.7
147.11679	4.8
148.05170	2.9
148.08951	1.0
149.05992	100.0
149.09610	4.4
149.13268	4.5
150.06323	1.6
155.06075	1.7
155.08519	2.4
158.07310	5.4
158.10880	3.9
160.05074	79.8
161.09625	1.9
162.06831	3.7
163.03941	0.8
163.07639	3.8
163.11224	1.9
163.14796	1.1
173.09634	26.0
173.13257	12.1
176.04736	1.1
176.08263	1.6
191.03452	2.2
191.07047	7.2
191.10689	47.7
191.14304	30.0
191.15881	1.0
191.17986	2.9
192.06290	0.8
192.07748	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	189.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	1.0
57.03441	1.6
57.04557	4.0
58.06602	1.4
59.07381	1.2
60.05654	0.6
60.08166	62.6
67.05508	1.1
69.03435	1.4
70.06595	44.3
70.89886	0.8
70.90235	0.4
71.04993	1.3
72.08156	2.9
74.07205	14.2
82.06598	0.4
84.04507	12.6
84.08147	35.1
85.02907	21.7
85.03448	0.5
87.04485	1.4
88.07627	0.7
95.01317	2.2
98.06046	0.5
99.04474	0.4
100.07619	1.6
101.00902	1.7
102.05549	10.6
103.02473	0.4
106.77019	0.3
110.37415	0.3
112.03986	2.0
112.08723	1.4
113.02376	1.1
115.08700	3.3
116.07093	15.7
119.01942	1.6
126.09166	1.1
126.10220	0.4
130.05008	100.0
130.08649	11.5
131.01924	0.5
131.03474	1.0
131.05382	0.8
131.09001	0.3
133.09724	1.2
144.11333	7.4
144.13855	1.2
158.09267	2.3
161.03021	0.9
172.09651	1.2
172.10965	2.3
185.02948	0.6
189.06059	0.4
189.12369	2.0
189.13623	10.8
189.15974	5.0
190.10739	4.5
190.13831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13761	1.7
53.83333	1.9
58.98002	2.0
60.94014	1.8
69.03417	5.2
70.66104	4.6
74.79153	1.9
75.17315	1.8
82.74284	1.8
91.05496	5.8
92.24525	2.0
95.04942	2.4
100.43717	1.8
105.07034	15.7
106.09446	1.7
107.08553	2.1
117.07003	5.4
119.08588	22.0
128.06212	6.4
129.07095	4.4
130.07780	4.7
131.08586	5.7
133.10144	5.1
141.07011	9.1
143.08565	6.2
144.09407	2.4
145.10126	18.9
147.08069	4.6
147.11702	14.2
155.08554	2.6
156.09355	68.3
159.08051	7.6
159.11688	14.9
161.06020	3.8
161.09596	5.5
161.13304	2.5
171.11699	79.0
172.12042	2.7
174.10406	10.5
189.09149	5.9
189.12752	100.0
190.13031	2.1
205.01256	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1234
Annotation	gamma-glutamyl-isopropylamide
Peak:m/z	Relative Intensity
56.05030	1.6
57.03423	1.6
57.04557	2.9
58.06593	1.6
59.07372	0.9
60.05639	1.0
60.08167	61.5
67.05508	0.8
69.03439	0.6
70.02528	1.2
70.02921	1.1
70.06596	34.0
71.05000	1.6
72.08168	3.5
73.02908	0.6
74.07201	10.1
77.19824	0.5
81.03400	0.6
84.04509	12.0
84.08148	33.5
85.02909	23.0
86.06089	0.5
87.04480	0.9
88.07641	0.6
93.16365	0.5
95.01323	1.8
98.06068	0.6
100.07590	0.6
101.00888	1.9
102.05547	10.2
112.03970	1.6
112.08737	1.0
113.02343	0.7
114.99277	0.4
115.08690	2.1
116.07102	10.8
119.01929	2.0
126.09220	0.7
130.05008	100.0
130.08653	11.3
131.03415	1.0
131.05350	0.9
133.09636	1.2
137.02939	0.7
141.33318	0.5
143.12662	0.5
144.11337	4.8
144.13921	0.6
146.66014	0.5
152.93718	0.6
157.03493	0.5
158.09265	3.0
167.16704	0.5
172.09607	1.1
172.10831	1.6
189.13670	9.0
189.15947	4.3
190.10753	3.8
190.27078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.28341	0.7
53.03940	1.0
55.01862	1.5
55.05525	1.3
56.50904	0.6
64.77066	0.6
65.03977	1.0
67.05521	1.4
68.99811	1.3
69.03444	0.8
69.07076	1.7
70.06593	1.5
79.05514	2.3
81.07070	5.1
81.30350	0.7
83.08630	1.0
84.08154	1.0
85.46160	0.6
91.05485	12.4
93.07030	1.8
95.04964	1.0
95.08613	3.3
103.05477	2.8
105.03411	2.2
105.07038	14.9
107.04962	1.2
107.08604	2.8
108.19215	0.9
115.05459	16.1
116.06329	0.6
117.07050	4.1
119.04962	1.6
119.08582	15.7
119.36300	0.8
121.06497	1.8
121.10190	0.8
128.06241	11.1
129.07034	5.6
130.07784	0.7
131.04951	1.9
131.08583	3.6
132.05756	3.3
133.02815	0.8
133.06500	11.7
133.10141	8.6
141.06999	1.4
143.04930	3.0
143.08572	14.7
145.06526	1.6
145.10172	4.8
146.07315	1.7
147.04395	3.8
147.06479	0.9
147.08020	3.3
147.11670	6.3
155.05995	1.0
155.91231	0.6
156.09369	4.4
157.06482	2.5
159.08107	1.6
159.11714	0.9
160.05209	66.2
161.05994	100.0
161.09578	8.5
161.13277	2.9
162.06371	1.6
171.08093	8.7
171.11697	5.6
174.06784	5.5
174.10483	1.8
189.05528	9.5
189.09119	62.9
189.12666	11.3
189.16374	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01873	0.9
63.02356	0.7
68.99785	0.8
71.42912	0.8
73.99556	0.5
79.05492	1.6
81.07068	1.1
91.05479	8.8
91.06021	0.7
93.07050	1.0
95.08617	0.7
103.05515	1.0
105.03394	1.9
105.07036	7.5
109.67262	0.5
115.05456	14.4
117.07010	2.1
119.04962	0.7
119.08575	5.8
126.12617	0.5
128.06233	5.7
129.07002	1.3
130.04141	1.0
131.04930	1.2
131.08545	1.3
132.05713	2.4
133.06490	9.7
133.10133	3.0
143.04927	3.1
143.08577	8.4
145.06474	0.6
145.10135	1.8
146.07321	0.7
147.04410	2.0
147.08037	0.7
147.11702	1.7
156.09370	1.5
157.71883	0.5
159.08040	0.7
160.05205	73.2
161.05988	100.0
161.09564	3.2
161.13263	0.9
162.06273	1.2
171.08070	5.2
171.11716	2.5
174.06862	3.1
174.10455	1.1
189.05556	3.1
189.09114	55.1
189.12608	4.3
189.16412	1.9
190.09476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
52.42702	0.4
55.05503	1.3
56.05036	2.1
56.42922	0.4
57.03437	1.6
57.86446	0.4
59.05010	2.3
60.04514	0.8
61.02929	7.7
68.05017	0.8
69.03429	1.6
69.40288	3.5
70.02967	2.5
71.04997	2.3
72.04520	0.8
72.08154	0.5
75.04505	0.7
79.05495	0.6
81.03415	0.5
81.76797	0.5
82.06590	4.3
83.04983	4.3
84.04509	100.0
85.02907	19.7
85.04817	0.5
86.06078	0.6
87.04472	5.7
91.05479	1.2
96.04510	0.6
98.06071	0.7
100.07641	2.2
105.07035	2.8
110.06062	3.1
111.04452	1.2
115.05473	0.9
117.07008	0.7
118.06567	1.5
119.08626	1.3
121.06513	1.6
124.07597	0.8
126.05524	4.6
128.06212	0.8
128.07077	5.8
129.05486	1.2
131.08617	0.6
133.06522	0.8
133.10141	0.8
142.06525	1.1
142.08658	1.4
144.08073	0.9
146.06013	2.3
146.08157	1.1
147.04416	0.6
147.06567	0.4
147.11612	0.5
152.01382	0.4
156.09398	2.0
159.08005	0.7
160.05217	0.7
160.07588	1.7
161.05971	2.1
161.09608	1.1
161.13257	0.5
170.06050	1.2
170.08177	1.3
171.08087	0.5
171.11719	1.7
174.06802	0.6
174.10475	1.2
188.04300	0.9
188.06874	2.3
188.09216	9.7
188.10767	0.8
189.05559	0.6
189.09097	2.8
189.12727	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.81435	0.5
57.16866	0.5
71.05821	0.8
75.89162	0.5
82.09016	0.5
84.04503	1.0
91.05500	4.7
115.05449	6.0
117.05759	1.8
117.07039	4.4
118.06551	75.8
119.06850	0.8
132.08107	0.7
142.06532	7.1
143.07318	12.1
144.04451	0.6
144.08095	24.4
146.06018	100.0
147.06358	1.9
155.06052	1.2
160.07582	1.5
170.06015	8.4
188.07079	20.9
188.08829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32473	0.4
70.69374	1.1
75.42053	0.4
79.59945	0.4
91.05493	3.9
103.05464	0.8
115.05459	7.5
117.05778	1.5
117.06271	0.4
117.07015	4.2
118.06550	72.4
119.06871	1.0
128.04991	0.5
132.08105	0.4
142.06538	6.2
143.07312	12.9
144.04443	1.1
144.08098	24.7
145.06496	0.5
145.08424	0.5
146.06018	100.0
147.06360	1.6
147.11761	0.4
155.06119	1.2
160.07579	1.5
170.04892	0.2
170.06020	11.8
188.07077	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	188.0707
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
91.05496	4.9
96.78405	0.5
103.05450	0.6
115.05468	5.3
117.05759	1.8
117.07014	4.8
118.06552	72.4
119.06898	1.1
132.08092	0.6
142.06532	6.8
143.07318	12.6
144.04456	0.6
144.08096	23.7
146.06018	100.0
147.06371	1.8
155.06030	1.1
160.07573	1.5
170.06021	10.2
188.07074	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	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.99233	1.6
53.03930	2.4
54.17842	1.4
55.05503	6.2
56.37519	1.7
56.96560	7.3
57.07066	1.7
59.04993	2.3
61.44769	1.5
67.05491	3.9
69.03434	2.0
69.07072	17.6
70.06573	2.0
70.24657	6.7
71.04995	23.4
72.08155	1.7
79.05495	16.9
81.03420	2.4
81.07060	100.0
82.06580	22.9
83.04964	4.9
83.08613	2.4
83.11349	2.0
84.08143	2.8
85.78307	1.5
91.05490	16.4
93.07041	2.9
95.04937	2.1
95.08593	3.5
97.06521	6.2
97.10157	2.8
99.08082	4.5
105.07035	2.3
107.08601	8.0
109.06488	2.0
109.10149	14.6
111.11720	4.7
115.05418	5.0
118.53359	4.4
121.10145	2.7
123.11713	19.3
127.03896	2.9
131.04932	4.7
133.10112	4.1
139.11188	5.9
141.06873	1.5
141.10237	1.7
143.04930	2.1
145.09839	2.3
151.11136	7.5
169.12256	5.4
187.03905	9.7
187.07510	4.1
187.10838	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01691	1.6
53.03949	2.3
55.05500	8.6
59.04992	3.5
66.05551	1.6
67.05497	6.4
69.03428	3.7
69.07079	18.2
69.84280	10.4
71.05000	20.4
79.05495	17.1
81.03407	5.3
81.07059	100.0
82.06581	26.6
83.04967	8.4
83.08637	2.3
84.04503	5.4
85.02909	2.4
88.02234	5.5
91.05482	13.1
93.07043	3.1
95.04971	2.3
95.08601	4.0
97.06520	6.1
97.10153	2.5
99.08080	4.1
100.07660	2.1
103.05465	2.1
105.07033	2.4
107.08593	11.4
109.02856	3.1
109.10159	17.4
111.08096	5.2
111.11712	8.0
115.05441	13.6
117.05734	2.0
117.07009	6.0
118.06552	46.8
121.10110	2.6
121.94404	1.8
123.11707	15.2
127.03957	4.8
128.07085	4.8
131.04964	9.4
131.08612	3.4
133.10153	3.1
134.13106	1.7
139.11136	5.6
142.06514	4.2
143.04926	3.7
143.07304	6.3
144.04454	2.4
144.05693	3.3
144.08102	13.2
145.10118	3.1
146.06017	75.8
151.11179	8.0
153.56897	1.9
157.12231	2.7
159.08080	7.1
169.12195	3.1
170.05963	7.1
172.05214	3.1
187.03894	28.2
187.07526	6.5
187.11000	6.1
188.07050	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	187.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
54.31060	0.8
55.01865	2.4
55.05274	1.1
55.05515	18.8
55.93505	1.0
56.05046	4.3
56.96568	12.2
57.03420	2.8
58.02948	1.2
60.04516	2.2
61.02920	1.1
67.05502	5.4
67.05817	1.2
68.72987	0.8
68.99782	1.0
69.03425	6.6
69.07072	8.5
69.35551	2.9
69.35979	3.5
70.02939	2.0
70.06593	4.5
70.95814	1.0
71.01324	1.5
71.04969	3.9
71.95245	1.0
72.04505	1.4
72.05318	0.8
72.08161	10.1
72.93774	3.0
73.02926	5.2
73.06569	4.4
74.02426	3.7
75.60512	0.8
77.00903	1.3
79.05477	3.0
81.03423	9.6
81.07060	4.8
82.06583	100.0
82.81061	0.8
83.04985	4.0
83.06900	0.9
83.08611	1.2
84.04509	5.2
84.08144	17.6
85.02896	4.2
85.06521	1.6
86.02409	3.9
86.06068	1.5
87.04453	1.0
87.05589	6.6
88.02220	6.3
88.03977	2.3
90.94798	1.7
91.05470	2.3
95.04956	4.1
96.08115	4.3
96.85727	0.8
97.02892	4.1
97.06498	1.8
98.06023	2.1
98.09690	10.5
98.97025	1.2
98.97590	16.1
99.00805	2.5
99.04433	2.7
99.06377	2.1
99.09206	1.1
100.03979	6.8
100.07618	5.3
101.00885	8.8
103.00629	4.1
103.02467	1.0
105.03376	1.1
105.07007	1.3
107.04941	2.7
109.02880	5.1
110.05995	1.8
110.97546	1.9
111.04412	1.1
112.99059	0.8
113.00879	0.9
113.05984	1.0
115.00692	1.4
115.02383	1.4
115.05457	7.9
116.98621	9.4
119.01928	29.7
120.01974	1.4
121.00858	1.4
121.01666	13.1
121.06476	1.0
122.01985	3.0
123.48177	1.0
124.07600	15.7
125.01815	1.9
125.06004	1.0
125.84151	1.0
126.05447	0.9
126.09118	3.4
127.03906	4.3
128.07083	58.9
128.98596	1.2
131.01869	2.8
131.04938	14.7
131.08528	1.7
133.01637	1.2
133.03464	1.4
134.99619	4.7
137.02263	4.6
137.03000	4.4
139.01564	1.3
139.02667	3.2
139.03680	0.8
141.01143	1.2
141.05542	1.4
141.10222	18.6
142.08640	32.8
142.12238	1.3
143.01820	0.9
143.04884	4.6
144.03226	0.8
144.10184	2.7
145.01706	4.6
145.03497	4.5
145.06746	0.9
145.09740	3.8
146.08109	1.5
146.99623	1.0
147.03168	0.9
151.03920	0.9
155.03395	1.0
156.03448	1.0
158.99669	1.5
159.04301	1.5
159.06973	2.7
159.08073	2.0
159.11629	1.4
161.01122	0.9
161.02934	1.5
163.02817	6.7
163.04001	1.0
163.04611	1.2
163.20296	0.9
163.97723	1.0
164.02017	1.1
169.04871	1.4
169.07074	1.3
169.09656	1.3
170.08124	33.6
173.00757	3.5
175.04309	1.1
177.00778	1.4
187.03903	29.1
187.06082	1.8
187.08237	9.4
187.10794	21.2
187.12570	1.7
188.07144	1.1
188.09105	2.1
205.03731	1.0
205.05560	1.2
205.09270	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	186.1127
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.64381	0.8
55.01866	1.2
55.05505	1.2
56.05039	1.3
56.96568	1.3
57.03428	1.3
57.07080	17.5
60.04531	2.0
60.98734	0.9
67.05503	1.6
68.05822	0.8
69.03429	2.0
70.06590	0.8
70.99612	1.4
70.99945	1.0
71.05000	4.9
72.05328	4.9
74.09709	3.5
82.06580	2.7
83.04977	1.7
84.04512	18.0
84.05311	2.2
84.08154	1.3
85.02913	29.3
87.04444	1.9
89.03932	1.9
95.01360	1.9
96.34438	0.9
97.02891	1.9
98.06067	1.7
98.97564	1.3
102.05549	16.1
109.02885	1.7
112.03959	2.2
112.04715	1.0
112.07596	2.0
114.05537	1.4
115.05516	1.3
116.07092	1.3
117.03368	1.8
121.00800	4.5
121.01689	3.2
126.05515	3.3
126.06676	1.5
129.05502	1.2
130.05013	100.0
131.05199	1.2
139.01820	3.1
139.18977	1.0
140.04247	0.8
140.07062	4.0
140.10695	1.4
144.06602	1.5
144.07695	2.9
145.02875	3.4
158.05234	3.8
158.11819	2.5
163.01816	8.7
168.06558	1.3
168.10216	1.1
175.04358	1.0
181.02888	7.3
186.07684	2.8
186.11273	95.4
187.03937	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	186.1126
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03939	1.3
54.04261	0.7
55.01858	1.7
55.05520	1.0
56.05031	2.0
56.96561	5.0
57.03436	2.4
57.07078	15.6
58.06610	0.8
60.04523	3.7
60.98721	0.8
61.23132	0.7
67.05508	1.9
69.03431	3.0
69.63419	3.8
70.06593	3.1
71.05002	3.9
72.04514	0.8
72.05325	2.1
72.55981	0.6
72.93795	1.0
73.02911	1.0
74.09730	3.4
76.91433	0.7
79.05516	1.1
80.05027	1.1
81.03429	2.5
81.07059	2.0
82.06583	5.0
82.94831	1.1
83.04987	2.2
83.97639	1.3
84.04511	19.9
84.05305	1.7
84.08163	1.6
85.02908	30.6
86.06102	0.7
87.04460	1.5
89.03905	1.5
94.06569	1.3
95.01329	2.8
95.04974	0.8
96.04500	1.9
96.08146	1.0
97.02905	3.5
97.06549	0.9
98.06067	3.5
98.20796	1.3
98.97589	2.6
99.04494	1.1
100.07652	1.0
102.05552	15.1
102.99760	0.9
103.00673	1.4
108.04496	1.4
109.02893	2.5
110.97571	2.8
111.04495	1.4
112.03975	2.4
112.04733	1.2
112.07587	2.7
113.96381	0.8
114.05547	3.8
115.05471	1.0
116.07106	1.4
116.98646	1.3
117.03380	3.2
119.02733	0.7
121.00795	7.2
121.01676	4.3
123.11699	0.7
123.97466	1.3
124.07580	0.8
126.03085	0.7
126.05518	5.0
126.06480	1.2
126.41418	0.6
127.03937	1.3
128.07054	1.5
128.98627	3.3
129.05473	1.6
130.05009	100.0
131.04936	1.4
138.05505	1.2
139.01797	5.6
139.02670	1.3
139.03755	0.8
140.07062	3.5
140.10699	1.6
141.05472	3.2
143.04996	0.9
144.06584	1.6
144.07684	5.2
144.94823	0.8
145.02835	4.7
146.99658	1.4
151.03810	0.9
155.03394	1.4
158.05244	1.7
158.11774	2.7
161.01309	0.9
163.01828	12.1
163.03084	1.2
167.96512	1.2
168.06581	2.0
168.10214	1.3
169.04993	2.9
169.07205	1.5
175.04364	1.2
181.02867	13.5
184.05006	0.8
186.05611	2.0
186.07913	3.9
186.11267	88.0
186.18477	1.3
187.03891	4.9
187.11424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
53.03927	0.7
55.01857	1.4
55.05497	0.8
56.96572	1.1
57.03432	0.7
59.04976	2.3
65.03927	1.3
67.05473	2.1
68.63478	0.6
68.99765	1.6
69.07048	1.3
70.06582	1.0
70.22860	3.3
71.04963	2.8
72.08143	0.7
75.04455	1.5
79.01861	1.4
79.05474	1.3
81.03362	1.0
81.07014	1.8
81.23915	0.6
82.04173	3.0
83.04971	1.5
85.02911	1.3
85.15229	0.6
89.03909	1.2
93.03406	1.6
95.01334	7.8
95.04951	2.5
97.06519	3.1
99.04426	1.3
104.03278	0.7
107.01297	1.6
107.04976	1.0
107.08591	1.5
109.02869	1.2
109.06440	0.7
110.03667	27.6
111.03836	0.8
111.04455	9.1
121.06514	0.9
121.10110	1.4
122.45889	0.7
123.04430	1.7
125.05999	80.2
127.03922	8.0
129.05486	1.3
138.03111	1.4
139.03912	21.2
140.07063	0.7
153.05472	100.0
154.06262	43.3
155.03369	2.9
155.06851	1.2
156.04160	0.7
157.04955	1.8
157.06549	0.8
163.01884	0.7
170.05762	5.8
181.02907	1.0
185.08109	24.3
186.05426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.57726	0.8
54.30722	0.6
55.30370	0.7
56.08324	0.8
65.03948	1.5
67.05499	2.0
68.99780	2.2
70.03571	3.4
70.06586	2.8
75.04494	1.5
75.70756	0.7
79.01856	1.9
82.04192	2.7
93.03438	1.6
95.01337	7.1
95.04959	3.0
98.20810	1.3
103.79205	0.8
105.07005	0.8
110.03669	29.0
111.04455	7.2
117.03313	1.0
123.04433	2.1
125.05997	76.4
127.03912	4.8
138.03105	1.7
139.03906	20.3
141.05470	1.1
145.02876	0.8
146.81395	0.8
150.55109	0.7
153.05472	100.0
154.06253	39.8
155.03391	3.6
155.06917	2.4
162.64012	1.1
170.05772	5.8
185.08119	23.5
192.37564	0.9
197.69275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0811
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
55.01815	1.3
55.05452	1.4
55.05687	0.7
56.04973	0.6
65.03864	1.8
67.05422	3.6
68.99717	2.0
69.03365	1.1
69.07008	1.2
70.03687	2.4
70.06529	1.4
71.04986	6.1
72.65068	0.6
75.04424	1.3
79.01810	1.3
79.05437	1.5
81.03359	1.1
81.06982	2.9
82.04140	2.1
83.04913	2.8
85.02849	1.3
85.06541	1.0
91.05399	0.9
93.03323	2.0
93.07009	1.6
95.01333	8.7
95.04994	3.5
95.08550	1.4
97.02853	1.3
97.06509	1.0
98.09669	0.7
98.97556	0.7
99.04415	1.3
101.94993	1.4
102.96837	1.0
104.43512	0.7
105.06966	0.7
107.01253	1.8
107.04937	0.7
107.08528	2.1
109.02845	2.6
109.10165	1.3
110.03669	29.3
111.04467	9.0
117.03350	0.9
121.00809	1.2
121.10114	2.5
123.04402	2.6
125.02334	1.7
125.06002	79.6
125.09613	1.1
126.03125	2.5
126.05505	1.4
126.12750	1.2
127.03938	5.8
128.06209	1.2
129.05460	2.2
129.06982	1.8
130.06525	1.2
136.20645	0.6
138.03145	1.1
139.01816	0.7
139.03915	21.3
140.04726	1.0
140.07040	1.1
141.05505	1.3
142.06337	1.0
142.07751	1.2
143.08562	1.3
144.08034	1.0
149.09616	0.7
153.05478	100.0
154.06265	39.6
155.03351	3.6
155.06955	1.3
156.04233	0.9
157.04973	2.8
157.06441	0.8
157.10130	1.4
163.01820	1.7
167.03450	2.8
170.05745	5.3
170.07085	0.8
170.10913	1.4
181.03000	1.9
185.04547	3.0
185.08162	23.4
185.10783	6.0
185.13290	2.5
186.05554	0.6
186.11403	1.0
201.09270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87139	0.5
61.02930	0.5
63.22015	0.5
69.03444	0.6
71.27443	1.2
82.99847	6.7
85.02905	0.8
94.98534	0.5
97.02905	0.6
101.00882	55.4
102.00965	1.9
111.00479	0.8
119.01921	100.0
120.02004	2.7
124.02440	4.3
131.01904	0.5
133.01639	2.7
137.01976	1.1
137.02966	14.8
139.74222	0.5
142.03503	24.8
143.01877	1.5
143.03722	0.7
156.03259	1.3
157.03450	0.7
160.04526	3.1
161.02951	11.2
161.04118	0.5
166.05022	0.6
173.66162	0.6
179.02457	1.0
179.04004	8.1
184.04539	1.3
186.02939	0.6
195.97765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39055	16.8
59.12625	16.8
67.93881	17.7
69.74548	100.0
85.97480	18.2
98.20852	36.6
101.00880	37.0
102.00940	44.2
103.00623	21.8
119.01923	40.6
120.01972	96.4
131.01898	21.4
139.67361	17.0
152.82623	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00519	0.6
53.03954	0.6
54.30201	0.6
55.04321	0.7
55.62490	0.6
57.03434	2.6
58.83125	0.6
59.99039	0.6
60.08163	1.0
61.02934	1.3
68.71043	0.6
69.03417	2.2
69.35036	5.6
71.04988	0.8
73.02920	3.7
81.03427	1.7
82.99841	9.0
85.02915	3.3
86.09705	4.0
97.02900	2.2
100.02560	0.8
100.52734	0.8
101.00892	59.6
102.01002	2.7
102.03384	0.7
102.52537	0.7
103.00642	1.5
104.10767	0.9
109.02941	0.7
113.00904	1.2
114.01013	1.1
115.00629	1.6
115.02448	2.0
119.01932	100.0
120.01950	3.5
124.02483	3.8
125.00008	2.9
131.01949	1.0
133.01656	1.3
133.03448	1.2
137.02977	14.1
137.04041	0.9
142.03508	24.0
143.01927	3.7
143.02882	0.8
144.02013	1.3
145.01604	1.5
147.01363	0.6
156.02107	1.3
156.03307	0.9
157.01688	1.2
157.03467	0.8
158.03502	0.7
160.04605	2.7
161.02968	13.2
161.04143	1.6
162.03159	1.1
163.02762	1.3
173.02963	1.4
174.03078	1.5
175.02849	1.1
179.02443	1.3
179.03995	8.1
180.04242	1.0
184.04538	0.9
184.07353	3.9
185.03085	1.3
186.03242	1.3
187.02791	1.2
203.04048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03956	2.4
55.01869	4.0
55.05514	14.6
55.99460	1.7
57.03441	4.2
57.07075	3.6
59.04953	2.2
63.27035	1.8
65.72272	1.5
67.05508	28.2
69.07069	15.9
71.02599	4.1
71.04990	13.8
71.86208	1.5
75.32793	1.7
79.05493	14.4
81.07060	100.0
83.04977	5.0
83.08619	8.6
85.06544	7.9
91.05482	19.9
93.07055	16.4
95.04961	5.2
95.08616	16.1
97.06526	7.8
98.98495	10.2
99.04502	3.8
99.08097	4.8
101.40880	2.2
101.95021	2.4
104.55020	1.8
105.03407	8.6
105.07023	34.0
107.08583	13.5
107.24804	1.7
109.06532	7.8
109.10124	3.9
109.37133	2.1
111.08079	4.2
117.07027	4.6
119.07796	2.9
119.08588	27.3
121.10144	37.2
123.04412	4.8
123.08078	4.2
123.11711	52.8
124.12111	2.4
127.07605	3.3
129.07024	4.0
137.13283	2.4
141.07001	22.9
147.11693	61.0
155.08586	8.2
160.33751	1.8
165.12762	30.0
183.09610	1.7
183.10130	2.0
183.11707	15.8
183.13837	2.9
187.08777	1.7
192.96611	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	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03926	0.9
53.12308	0.7
55.05518	8.8
57.03411	1.2
57.07090	3.6
58.02964	31.8
59.44429	0.8
65.63746	0.6
67.05507	20.9
69.07070	65.7
69.16437	3.2
69.16860	3.6
70.06572	2.9
72.08170	0.8
74.06075	1.5
79.05490	6.2
81.07059	21.0
82.06565	1.5
83.04964	1.9
83.08619	8.2
84.04505	0.9
84.08147	10.8
86.06067	2.2
91.05482	5.0
93.07050	11.0
95.04948	2.1
95.08616	7.3
97.06523	3.8
98.06064	3.2
98.09663	1.9
98.97578	0.9
99.97974	0.9
100.07632	6.7
105.07036	14.9
107.08602	18.2
109.06534	1.8
109.10159	49.0
110.10499	1.1
112.07584	2.0
114.09176	15.1
116.98669	0.7
119.08547	1.0
121.10154	2.2
123.08142	1.0
123.11723	7.8
124.11228	0.9
126.09156	13.3
126.12785	2.0
128.10733	1.5
133.09131	1.5
133.10139	27.7
135.11703	18.9
136.07607	1.1
137.13234	1.0
138.12791	19.6
140.10681	1.8
147.11688	4.1
151.11197	10.3
153.12737	13.5
154.08623	2.0
154.15880	1.4
164.14360	2.1
165.12778	2.6
182.08157	1.0
182.15413	100.0
183.15704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30066	1.1
53.03930	4.3
55.01672	1.2
55.01873	12.9
57.03439	44.9
58.99863	3.3
61.02929	33.1
66.33015	1.2
67.05489	1.6
68.98289	2.6
69.01919	1.4
69.03430	42.4
70.35738	4.3
70.99844	4.8
71.01335	4.0
71.04987	6.1
71.99932	1.6
72.32826	1.3
73.02153	2.3
73.02919	64.4
74.03261	2.9
75.01913	3.0
77.00901	2.9
79.02164	4.0
80.02927	1.3
81.01908	5.5
81.03423	20.1
82.99831	11.0
83.04986	1.8
84.04529	1.8
84.42062	1.3
85.01409	1.5
85.02143	2.8
85.02906	57.8
86.02896	1.8
86.03691	2.1
86.09701	4.3
86.99326	3.0
87.01903	9.1
87.04481	2.2
88.02682	8.6
89.00883	2.5
90.02431	2.1
91.02220	1.3
91.03966	1.3
91.05479	1.6
93.01887	13.4
93.51925	2.8
94.02673	7.5
94.52676	1.5
94.99830	3.6
95.04954	4.1
96.02423	5.3
97.01380	3.6
97.02893	58.8
98.03218	1.3
98.98462	5.4
99.01886	3.5
99.04462	8.0
100.00095	2.8
100.02650	13.1
100.05227	1.7
100.52691	1.6
101.00890	77.8
101.02416	4.1
101.03444	3.7
102.00977	5.2
102.02413	20.5
102.52484	4.9
103.00616	2.1
103.02479	2.9
103.03166	2.6
103.03928	1.8
105.00375	1.8
105.01918	1.9
105.03413	2.0
106.02676	7.2
106.52769	2.3
107.03445	2.2
108.02393	7.5
108.52464	1.8
109.02921	11.0
110.06030	2.9
111.02946	19.3
111.53012	3.4
112.02624	2.8
113.00112	2.4
113.00874	35.9
113.01633	2.9
113.02379	1.4
114.00968	4.5
114.02364	7.8
115.00648	1.6
115.02420	13.8
115.03193	5.0
115.03905	2.4
117.02920	8.8
117.03987	1.3
117.52930	1.7
118.01114	1.8
118.03653	2.4
119.01926	100.0
120.02036	5.6
120.03406	3.5
121.01655	2.8
121.03201	3.6
123.02925	15.2
123.04401	3.0
123.06683	1.9
123.52962	2.8
124.03727	3.0
124.99995	3.7
125.00881	3.4
126.02435	2.5
127.02419	8.8
127.03904	10.9
127.98981	1.6
128.02293	1.2
128.07104	1.8
129.00342	2.1
129.02911	12.3
129.03874	2.9
129.53006	2.0
130.03687	4.3
131.01907	61.7
132.01936	7.6
132.03410	9.6
132.53554	2.7
133.01602	3.2
133.03471	10.7
135.02917	8.3
136.03680	3.7
137.02960	12.4
137.07950	1.7
138.03441	12.9
138.53484	3.1
139.02434	6.2
139.04185	1.6
141.03951	2.1
142.03494	15.0
143.01901	76.0
144.02022	8.0
144.03360	7.8
144.99841	2.0
145.01651	2.7
145.03436	27.9
145.04529	1.7
145.99910	1.5
146.03555	3.7
147.01447	6.0
147.03983	2.8
149.02922	5.6
152.03215	1.4
153.03951	4.3
155.01898	64.0
156.02023	5.8
156.06511	2.0
157.01599	2.3
157.02159	1.9
157.03468	22.2
158.03658	2.3
159.01436	2.5
159.05046	2.4
160.04507	7.2
161.02965	59.6
162.03053	7.3
163.02679	3.5
163.04440	1.8
165.04044	2.1
167.01920	17.6
168.02104	2.1
169.01488	1.7
169.03491	6.8
171.01399	2.4
171.04977	3.1
173.02965	71.1
174.03108	8.6
175.02835	2.7
175.04549	4.3
177.02438	2.2
178.02586	3.0
179.01924	2.2
179.04050	3.6
181.03519	3.0
182.77330	1.4
183.01506	1.6
183.03148	1.7
183.04964	1.9
183.07768	3.5
184.04570	3.0
184.07368	3.0
185.02954	47.4
185.04607	2.6
186.03131	5.4
187.02904	2.3
187.04424	6.6
191.03990	4.9
191.72125	1.3
197.02936	9.7
199.04453	3.1
201.02419	1.5
203.04034	18.8
204.04208	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	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03936	3.3
55.01866	1.7
55.05500	4.5
56.05018	1.2
58.02959	1.4
65.03938	4.4
67.05183	1.7
67.05510	21.1
68.05013	1.9
68.05844	1.1
68.06217	1.0
69.07080	6.2
69.46119	6.6
69.46529	1.4
70.02979	1.3
79.05081	1.6
79.05501	28.3
80.05010	3.7
80.05803	1.8
81.07063	41.2
82.02916	1.6
82.06574	1.9
83.04971	1.4
83.08607	2.2
84.08133	2.5
85.02859	1.1
86.02436	4.3
91.05488	5.2
92.05006	1.5
92.05795	1.1
93.05791	7.4
93.07043	1.6
94.06568	3.3
95.04986	6.6
96.04496	2.8
96.08091	1.7
97.05246	2.6
97.06538	9.1
98.06044	4.5
98.09660	2.3
98.21507	2.3
98.97556	2.1
105.03410	1.8
105.07005	1.4
106.06583	2.3
107.07348	4.2
108.04499	3.0
108.08129	61.0
109.06519	7.7
110.06051	5.4
111.04450	1.7
117.05830	1.1
118.06546	4.0
120.04385	1.4
121.05250	3.9
121.06519	1.2
122.06021	4.0
122.06822	1.1
123.04418	1.8
124.07587	1.5
125.06009	28.6
126.05531	32.0
126.09167	18.6
134.06020	1.5
136.07588	100.0
137.05994	4.1
138.05507	3.4
141.05423	1.9
145.42876	1.0
152.07069	1.6
153.05455	2.2
153.07838	2.9
154.08650	29.5
164.07083	82.2
166.98447	0.9
182.08134	80.2
183.08569	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03960	0.9
55.01867	1.9
55.05507	3.0
56.96569	1.0
57.07080	23.7
59.05009	2.1
67.05511	1.4
69.03434	1.4
69.07063	4.4
69.83031	5.9
71.04991	1.3
79.05494	9.4
81.03407	6.0
81.07068	5.4
83.04988	48.9
91.05482	3.6
93.07053	10.1
95.04973	16.6
95.08656	2.4
97.06542	26.3
98.21413	1.5
98.97586	9.3
105.07025	6.7
106.76517	1.0
107.04933	3.3
107.08601	13.6
109.06529	1.8
116.98611	5.1
117.07012	2.6
119.08573	3.4
121.06528	3.0
121.10149	11.8
121.41477	0.9
125.06000	61.8
126.06341	1.4
130.07816	1.5
133.10074	1.1
135.11700	6.3
140.00140	1.2
145.10138	11.4
163.11195	100.0
164.11511	3.1
165.06934	1.3
166.07773	2.4
169.66200	1.0
179.91151	1.0
181.10112	3.8
181.12241	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03945	1.6
55.01872	2.0
55.05511	3.1
55.60531	1.0
57.07081	23.6
59.05004	2.0
67.05465	1.0
69.03423	1.4
69.07064	3.3
69.47706	7.3
70.36392	1.1
79.05507	7.6
81.03427	6.0
81.07064	4.2
81.10297	1.1
83.04990	47.7
85.52306	0.9
91.05495	2.6
93.07046	8.7
95.04976	14.6
96.18382	1.1
97.06535	22.0
98.97594	6.8
105.07046	3.8
107.04964	1.8
107.08605	9.1
116.98618	2.9
117.07041	1.4
119.08582	3.8
121.06551	2.4
121.10161	12.8
125.06002	60.9
130.07782	3.7
134.99731	1.3
135.11697	5.6
145.10109	10.6
154.08575	1.0
163.11191	100.0
164.11568	1.4
165.06995	2.8
166.07793	3.5
181.10181	5.3
181.12256	27.6
181.54263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01865	1.3
55.05507	2.1
56.96558	0.8
57.03437	0.7
57.07067	2.2
59.05010	3.6
64.46540	0.5
67.05506	2.5
69.03431	1.7
69.07071	4.0
70.40611	1.4
74.67298	0.6
77.03893	0.7
79.05495	6.9
81.07059	7.1
83.04986	1.4
83.08600	0.7
87.04477	1.0
91.05488	4.1
93.07048	20.3
93.07638	1.0
95.04980	1.4
95.08615	12.6
96.87154	0.5
97.06528	3.0
98.97590	13.0
105.07043	3.3
107.04925	1.0
107.08603	33.3
108.08915	0.6
109.06499	1.0
109.10158	1.9
111.04449	1.5
111.08079	1.6
116.98635	5.7
119.08586	5.0
121.06519	5.0
121.10155	19.0
123.08078	3.6
125.06010	3.4
130.07816	0.8
134.99687	0.8
135.11699	40.9
137.13257	1.8
139.07550	7.1
139.76753	0.5
145.10132	10.3
153.12737	1.9
159.42242	0.5
163.11191	25.7
164.11577	0.7
181.04994	1.1
181.12247	100.0
182.12602	2.4
188.55408	0.6
200.64912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03932	1.5
55.01869	2.5
55.05507	3.2
57.04565	5.3
57.07079	24.1
58.02946	1.4
59.04990	3.1
63.20511	0.9
63.94838	1.1
67.05495	1.8
69.03423	1.6
69.07056	4.4
79.05501	10.9
81.03439	7.0
81.07068	5.8
83.04984	48.0
91.05476	5.2
93.07056	10.1
95.04967	18.0
97.06538	25.0
98.07199	1.3
98.20741	2.9
99.05587	23.5
105.07012	6.1
107.04938	2.1
107.08607	11.8
109.04050	1.3
117.07002	2.8
119.08582	3.1
121.06509	3.6
121.10152	12.1
122.07137	1.9
125.06003	67.2
126.06313	1.3
135.11705	6.2
138.67970	1.2
139.09772	1.7
139.76024	1.6
145.10130	9.9
163.11189	100.0
164.11563	2.9
166.07735	1.7
181.09850	2.0
181.12234	31.5
181.15810	1.2
182.00948	1.9
193.04651	1.1
203.90309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.75091	0.9
53.03949	11.8
55.01671	1.0
55.01879	12.0
55.05499	4.6
56.96561	5.0
57.03430	3.8
57.07077	20.0
59.04988	3.0
65.03946	24.1
67.05227	1.2
67.05512	12.3
68.99806	1.5
69.03434	5.3
69.07057	4.4
69.29474	1.9
69.29880	7.4
70.06614	1.1
71.05002	1.9
71.95269	1.6
73.02923	14.7
75.04485	7.0
76.80736	1.0
77.03934	3.3
78.04715	4.5
79.05500	21.5
81.03413	8.4
81.07069	8.9
82.04218	6.6
83.04987	54.1
83.08630	1.3
85.02905	15.1
85.06561	1.8
89.03893	1.3
91.05489	48.2
92.05798	1.3
93.03417	14.5
93.06483	2.1
93.07052	32.8
94.04222	1.3
95.04973	34.4
95.08614	5.1
97.02897	3.1
97.06535	30.6
98.97592	45.0
103.05473	22.3
105.03391	1.9
105.04521	7.7
105.07037	8.5
106.04185	16.0
107.04997	8.7
107.08598	18.0
108.02112	4.5
108.05756	2.0
109.06532	12.6
109.10155	2.4
110.03675	7.9
111.04461	4.9
116.98625	27.5
117.06995	3.6
119.04964	2.9
119.08574	4.6
120.05704	1.7
121.06516	74.5
121.10144	20.4
121.11021	1.1
123.00794	1.8
123.04417	6.0
123.08081	3.9
124.05148	1.5
125.02354	1.2
125.06005	66.1
130.07788	1.7
131.06033	2.0
133.06474	3.4
134.03609	6.3
134.99673	9.7
135.04431	100.0
135.08028	7.1
135.11694	13.3
136.04803	2.5
136.07574	2.6
137.02345	1.7
137.06001	10.1
138.03094	4.1
138.06732	4.8
139.03894	1.5
139.07568	4.8
140.04756	1.3
142.02614	6.3
145.10138	12.7
148.05208	4.9
149.05988	46.4
150.06393	1.3
151.03925	4.2
151.07576	2.8
152.08342	2.1
153.05522	5.5
153.09125	12.2
154.08644	3.2
163.03944	5.6
163.07553	23.0
163.11189	98.4
164.07024	1.1
164.11546	2.2
166.06259	3.8
167.07069	2.9
171.06558	7.5
176.06140	1.1
181.04980	60.1
181.08594	37.1
181.10228	2.0
181.12222	32.0
182.08090	1.7
192.38028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	1.4
55.05496	3.7
56.96560	1.5
57.03437	0.9
57.07084	25.5
59.04984	2.5
67.05496	2.4
69.03404	1.8
69.07054	3.1
71.48409	0.8
71.51720	1.0
73.00297	0.8
78.39773	0.9
79.05499	7.4
80.23174	0.9
81.03438	6.0
81.07062	5.2
83.04988	55.0
85.06550	1.2
91.05471	3.7
93.07057	10.9
95.04978	19.0
95.08595	1.5
97.05925	1.6
97.06541	27.9
98.97598	9.9
99.05546	1.3
103.05403	1.0
105.07047	6.2
107.04925	3.0
107.08604	12.4
109.06522	1.6
116.98641	6.3
117.07008	3.1
119.08595	4.6
119.09277	0.9
121.06482	3.9
121.10148	14.1
123.08028	1.6
125.06005	61.4
130.07771	2.7
134.99670	2.1
135.08054	1.3
135.11719	8.6
140.00201	1.1
145.10129	10.5
152.84157	0.9
154.08669	1.7
158.01305	1.0
163.11197	100.0
164.11523	1.9
165.06981	1.0
166.07814	2.6
181.02588	1.1
181.08743	1.0
181.10208	3.7
181.12231	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	2.6
55.01871	1.9
55.05511	17.1
57.03429	5.1
57.07069	6.7
59.53883	1.6
65.03948	3.2
67.05508	85.5
69.03415	5.6
69.07075	15.6
69.73258	9.9
71.04978	7.2
79.05486	22.5
81.03394	4.0
81.07059	66.0
83.04961	5.3
83.08587	2.2
85.10215	1.8
91.05482	14.4
93.07041	29.9
95.04961	16.6
95.08610	100.0
97.06490	2.2
105.07043	15.9
107.08591	13.0
109.06533	9.2
109.10165	50.9
111.08017	2.0
119.08576	20.9
121.10149	4.7
123.08076	18.9
133.10136	6.8
135.11684	6.4
137.09625	20.5
137.13206	2.5
151.14795	13.2
161.13301	7.8
174.11313	1.7
179.03383	3.6
179.14323	54.6
184.38972	1.7
194.49005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.00296	1.5
53.03939	3.6
55.01863	4.3
55.05516	28.6
57.03442	11.7
57.07058	4.7
59.04982	3.5
59.34731	1.5
60.66812	1.5
67.05508	58.6
69.03426	4.0
69.07071	45.4
70.29583	5.4
71.04980	7.5
79.05076	2.4
79.05494	37.2
81.03414	4.5
81.07058	75.5
83.04978	10.1
83.08604	6.5
85.06546	3.3
91.05484	21.0
92.95476	1.8
93.07052	29.0
95.04966	19.5
95.08611	100.0
96.08932	2.2
97.06506	5.3
105.06404	2.3
105.07041	33.7
107.08595	25.8
109.06513	22.5
109.10157	40.8
111.08071	8.6
117.65182	1.7
119.08583	27.2
121.06528	2.2
121.10138	13.4
123.08076	34.3
123.11677	2.0
133.10130	10.2
135.11745	8.0
137.09622	19.6
137.13234	2.3
151.14793	6.6
154.09135	1.6
161.13245	17.6
162.13518	2.0
179.03314	4.2
179.14323	53.6
182.41847	1.8
184.80304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
50.01604	0.2
53.03940	1.3
55.01868	0.7
55.05498	0.3
56.96555	0.5
60.04509	1.1
65.03933	0.6
67.05492	0.9
69.03433	2.1
69.97688	1.3
70.06577	0.5
71.04991	0.8
73.36934	0.2
73.71976	0.2
77.03933	0.3
79.05498	1.5
80.05017	0.5
81.07073	0.5
82.06555	0.4
83.04968	0.4
84.08139	0.4
85.02888	1.3
91.05489	7.1
92.05811	1.0
93.03421	0.4
93.06480	0.5
93.07047	8.8
94.06563	0.8
95.04962	2.2
95.08603	0.4
96.08130	0.4
98.97604	2.0
103.05470	6.8
105.04534	0.6
105.07036	0.6
106.06564	0.6
106.07355	0.4
107.04954	0.9
107.08614	0.6
108.04478	1.2
108.05197	0.2
109.02862	0.3
110.06068	0.8
110.09670	0.6
111.04445	0.6
112.07617	2.3
116.98634	1.5
117.07056	0.4
118.06532	0.4
119.04984	0.3
120.04448	0.3
120.05299	0.7
120.08111	2.5
121.06509	100.0
122.06859	1.9
124.07607	0.3
125.06008	0.4
134.06004	1.6
134.09660	0.7
134.99649	0.6
135.04466	1.9
135.08093	0.6
136.07558	0.5
137.06007	0.7
138.05463	0.6
138.09145	13.9
139.03844	0.3
139.07571	0.4
139.09465	0.4
145.06413	0.3
148.04771	0.3
149.06033	0.3
151.03998	0.4
152.06992	1.2
153.05536	0.3
162.05415	0.7
162.09117	6.2
163.03915	1.1
163.07593	0.7
180.02255	0.5
180.03751	1.5
180.06366	1.7
180.10152	7.0
181.04961	1.7
181.08612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	2.9
55.01878	2.8
55.05513	8.1
56.96580	0.7
57.03440	6.0
57.07078	1.8
59.05000	0.6
65.03947	1.8
66.23983	0.7
67.05508	40.5
68.05832	0.7
69.03439	3.0
69.07069	9.3
71.04995	4.0
71.28166	0.8
77.03926	0.8
77.96232	0.7
79.05497	32.5
80.43963	0.6
81.03424	0.9
81.07059	100.0
82.07384	1.3
83.04975	8.0
83.08615	4.4
85.06542	9.8
91.05483	32.2
93.06590	0.7
93.07048	41.4
95.04971	4.1
95.08611	74.7
96.08923	1.0
97.02920	0.6
97.06533	16.8
98.57902	0.6
99.08099	11.7
105.04549	0.7
105.07037	39.6
107.08601	18.7
109.06524	6.5
109.10158	6.8
111.08076	5.7
113.09687	0.7
115.05475	0.8
115.46349	0.7
117.02010	0.7
117.07030	2.4
119.04973	3.4
119.08588	61.5
120.08876	0.8
121.06508	0.8
121.10151	19.1
123.04426	1.0
123.08063	11.4
123.11695	0.7
131.08569	1.3
133.06499	1.3
133.10135	35.1
134.10510	1.2
135.11699	34.9
137.06024	1.2
137.09627	4.6
137.13272	2.8
137.85054	0.6
147.04425	3.9
151.11182	2.1
151.14891	1.7
159.11743	0.8
161.05998	1.5
161.13263	84.6
161.88824	0.7
162.13622	1.5
179.03410	6.3
179.06783	2.5
179.14316	95.5
180.10237	1.2
180.14635	2.1
192.98692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.32446	1.3
53.03933	5.7
55.01876	9.6
55.05272	2.0
55.05516	27.4
56.96574	2.4
57.03429	3.9
57.07070	3.8
59.04989	1.9
64.32229	1.1
65.03934	4.7
67.05507	100.0
69.03428	3.4
69.07066	16.8
71.04977	2.8
71.51402	2.4
77.03931	1.5
79.05497	63.1
80.05820	1.5
81.03426	24.1
81.07059	82.6
83.04987	29.4
83.08627	13.7
85.06575	2.9
89.03879	1.2
91.05488	53.7
93.07043	45.6
94.06489	1.8
94.07418	1.3
95.04968	12.7
95.08609	69.4
97.06534	28.9
97.10152	3.7
98.98470	1.8
99.08098	2.1
103.05431	1.5
105.04458	1.4
105.07041	33.3
107.04961	1.7
107.08607	13.1
109.02864	1.3
109.06528	9.7
109.10166	18.3
111.08096	7.6
113.09652	9.1
113.10303	1.5
117.07010	2.1
119.04946	4.4
119.07804	2.4
119.08596	33.2
120.08075	1.9
121.06496	3.4
121.10149	5.7
123.04427	6.1
123.08070	8.5
123.11679	1.6
123.41277	1.4
131.08614	2.3
133.02879	3.1
133.06503	2.1
133.10135	23.0
134.06033	1.9
135.04411	1.6
135.11696	6.2
137.05994	2.7
137.09615	4.0
138.09119	2.6
147.04465	6.7
151.03958	2.5
161.05983	2.5
161.09586	1.7
161.13263	17.2
162.09166	5.5
164.04095	3.4
179.03397	21.0
179.06488	11.3
179.08401	2.8
179.10687	4.2
179.11913	1.8
179.14322	52.5
180.06598	2.2
180.10199	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	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03930	1.5
55.01846	2.4
56.05027	0.7
56.96545	1.5
58.99591	4.5
64.66560	0.5
65.03940	3.4
67.05473	2.5
68.05011	0.7
69.03397	1.7
70.06564	0.7
71.50409	0.7
76.01833	0.7
76.02231	9.9
77.03922	0.8
78.56367	0.5
79.05489	2.9
79.29517	0.5
81.07037	1.8
82.01423	1.6
83.05005	0.6
84.08127	1.1
85.02903	1.2
86.99032	1.1
89.03915	1.4
91.05482	51.5
92.05774	0.6
93.06989	1.3
94.06582	0.9
95.04956	3.7
95.08598	0.7
97.02839	0.6
98.97581	0.6
100.02509	3.9
101.00867	2.2
103.05472	0.9
105.03370	1.6
105.07047	4.5
105.24751	0.6
106.06569	0.7
106.07405	0.7
107.04958	1.4
107.08590	1.1
109.02869	0.8
109.06511	1.0
110.06045	0.6
112.07575	1.2
115.02375	0.6
115.05406	0.6
115.08887	0.5
116.01684	2.4
116.10728	0.9
117.03365	1.3
117.11075	1.5
118.03500	0.7
119.01955	4.3
119.04942	96.5
120.05276	0.7
120.08077	0.7
121.06509	2.3
123.04449	4.1
123.08073	0.8
124.03931	0.9
130.06512	0.7
132.08090	1.6
133.01891	0.7
133.02769	3.5
133.06490	3.3
133.08417	1.0
133.10127	1.9
134.06010	1.3
134.09686	0.6
135.04379	1.6
136.05208	2.2
137.05022	0.9
137.05986	12.3
146.03513	1.7
147.04410	100.0
148.04849	2.2
150.06630	0.6
151.03911	2.1
151.04997	0.7
151.06604	0.7
151.07585	4.9
154.48552	0.5
156.05110	0.6
156.97433	0.6
161.02995	0.5
161.05965	2.5
161.07140	1.0
161.09589	1.0
162.02185	1.3
162.09155	2.2
164.04765	3.7
169.14729	0.5
179.03398	11.9
179.07057	28.2
179.10526	1.0
179.11867	1.6
179.14232	0.6
180.04033	0.7
180.08784	1.0
180.10213	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0705
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03938	1.6
55.01876	27.6
55.05516	2.0
57.03427	1.7
57.07073	1.0
65.03935	3.9
66.80613	0.8
67.05514	7.7
68.99793	1.1
69.03421	2.2
69.07069	2.1
71.04990	1.4
71.50588	1.1
76.02248	1.1
79.05511	7.1
80.06263	1.1
81.03414	1.5
81.07056	8.2
83.04992	1.2
89.03930	1.2
91.05488	50.5
93.07038	3.9
94.06582	1.4
95.04977	10.4
95.08598	5.5
97.06554	1.3
103.05461	4.4
105.03407	1.4
105.07038	27.9
107.04971	3.9
107.08608	3.4
109.06531	2.4
109.10161	2.1
111.04448	1.2
112.07629	1.3
115.05472	4.7
118.04166	6.3
119.04953	65.0
119.08587	5.0
121.06522	3.0
121.10143	2.9
123.04441	10.4
123.08093	2.1
131.04970	1.6
133.01967	0.9
133.02875	3.1
133.06508	21.0
133.10127	8.7
135.04385	1.5
135.07959	0.9
135.11658	1.0
136.05199	10.6
137.05995	5.4
137.09634	2.9
143.08595	1.3
146.03624	12.4
147.04422	100.0
151.03941	4.1
151.07553	4.9
151.11139	2.2
161.05989	45.8
161.09628	3.6
161.13274	2.6
162.09143	2.5
164.04698	1.9
172.60426	0.9
179.03416	34.1
179.07071	33.3
179.08585	2.1
179.10574	6.7
179.14331	3.2
180.06567	1.5
180.08081	2.3
180.10228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76938	0.5
55.01875	1.2
57.07075	0.6
58.99866	1.1
59.77522	0.4
61.02923	1.0
66.69077	0.4
69.03399	0.4
70.02964	0.6
70.28577	1.5
70.99847	0.8
77.00930	0.9
82.01444	6.7
82.99838	3.6
83.01548	0.7
85.01408	0.8
86.99351	0.5
88.51688	0.7
88.99727	0.5
89.00906	2.2
89.50948	0.7
90.00788	0.6
95.00888	0.9
97.01431	1.0
98.01422	1.1
98.51450	0.7
98.97838	1.9
99.01249	0.5
100.00094	0.8
100.01862	1.0
100.02491	13.8
101.00887	42.4
101.51550	0.5
102.00947	2.2
103.00638	1.3
104.01414	0.9
107.52534	0.5
108.00716	0.5
109.00692	0.5
110.01407	5.3
110.51466	1.7
113.00864	3.0
114.00990	0.5
115.00629	1.3
115.02434	4.0
115.05904	0.8
116.98860	3.2
117.00420	0.6
117.01248	0.5
117.02198	1.0
117.98978	0.6
118.00413	0.7
118.01163	1.0
118.03539	3.7
119.01929	100.0
119.51928	0.9
120.02020	4.0
120.95319	1.0
121.01614	2.2
121.52149	0.7
122.01457	0.5
123.00367	4.6
123.50382	2.3
124.00302	0.8
124.02488	0.8
125.01900	0.7
126.97330	0.7
128.49896	0.6
129.03952	0.6
129.49864	0.6
129.51973	0.5
130.01108	0.6
131.01917	8.6
132.00883	11.3
132.01799	0.8
132.50935	3.1
133.00874	2.6
133.01749	3.1
133.03465	12.0
134.51183	0.5
134.99863	4.2
135.48911	0.6
136.00069	0.7
136.99631	0.6
137.02971	18.8
138.04097	0.8
138.96442	4.5
139.01656	0.6
139.02612	0.7
140.02457	1.0
141.02640	0.4
142.03539	1.8
142.49640	0.7
143.01923	1.1
144.00874	4.0
144.50992	1.3
144.52480	2.1
144.98331	1.4
145.00763	1.1
146.00653	0.9
147.01387	0.7
151.04526	2.2
151.50278	0.6
153.01421	5.9
153.51555	1.5
154.01291	0.8
154.03496	0.7
155.01054	1.0
156.01413	0.8
156.03258	1.2
156.05048	7.0
156.97488	17.3
157.01787	0.5
157.03490	1.6
158.99940	0.8
159.01321	0.8
161.02966	23.7
161.06021	0.7
161.98026	1.3
162.01953	4.0
162.03073	0.9
162.09212	0.5
162.52055	1.6
162.99385	4.5
163.01788	1.1
163.99544	0.8
164.99188	1.0
165.50021	0.8
171.00002	2.3
171.01343	0.5
173.02995	0.8
174.03096	1.9
174.06104	2.5
174.98553	9.0
175.02844	0.6
175.04604	0.7
176.51642	0.5
177.01018	1.9
178.01047	0.6
179.00755	1.4
179.04033	22.9
179.99089	15.8
180.04193	0.7
180.10320	0.6
184.04578	0.6
186.99385	2.2
187.00887	1.1
187.99512	1.0
189.00954	6.1
189.02588	0.7
190.01115	1.9
191.00760	1.3
197.00642	1.1
197.03151	0.8
198.00174	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	179.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01845	2.4
55.05492	1.6
56.96530	2.1
57.03405	2.2
58.99834	2.4
61.02908	1.3
65.03926	1.4
67.05506	3.7
68.99775	1.1
69.03432	6.3
69.07053	0.6
70.06566	2.0
70.99834	1.8
71.04975	2.2
71.14993	0.9
73.02890	2.5
77.00907	1.5
79.05486	2.4
80.04994	1.2
81.03412	4.1
82.01453	9.4
82.99841	4.0
83.01482	1.1
84.02657	0.6
84.08121	2.7
85.01382	2.1
85.02901	3.8
87.99387	0.6
89.00887	1.1
89.03862	1.1
91.05491	9.8
95.04961	2.5
96.04481	2.1
97.01410	1.4
97.02898	8.2
97.06529	0.7
98.97573	1.7
99.04449	1.0
100.00132	1.6
100.01857	1.3
100.02492	19.9
101.00891	44.3
101.02567	1.2
102.00990	2.5
103.02454	2.4
105.04581	1.0
105.07034	1.7
106.52435	1.2
107.03423	0.8
109.02896	2.0
111.02941	0.7
112.07585	1.3
113.00883	1.4
114.05546	1.1
115.00645	2.6
115.02448	11.3
115.05850	0.8
116.10748	3.4
117.02932	1.1
117.11086	6.6
118.01156	1.1
118.03546	5.8
119.01932	100.0
119.04949	20.9
120.02030	2.5
121.01662	0.9
121.06545	0.9
123.04442	1.6
126.02595	0.9
127.04010	0.8
127.52953	1.1
128.53775	1.0
129.04012	1.8
130.04073	1.5
131.01891	4.5
131.02774	0.9
131.05571	2.2
132.05106	1.0
133.01735	9.3
133.03488	32.0
133.06525	1.2
133.10196	0.9
134.03610	1.1
134.06047	1.2
137.02980	22.3
137.06009	1.3
137.54337	0.9
138.03101	1.1
138.04080	1.8
138.09204	0.9
138.96419	0.8
139.02524	1.7
141.02748	2.1
142.03587	1.3
143.01859	3.4
144.00865	1.1
145.03522	1.4
146.03627	1.6
147.03362	2.0
147.04398	21.8
148.05009	0.7
148.07585	0.8
149.06659	1.1
149.54189	0.7
151.02708	2.0
151.04567	7.8
152.04543	1.0
153.01505	1.3
154.03568	1.1
155.01958	1.0
156.03242	3.3
156.05078	18.3
156.97519	4.2
157.03479	7.6
161.02974	25.2
161.05972	1.1
162.03152	0.9
162.09198	1.8
169.03450	1.4
171.05156	1.1
172.04681	0.7
173.03049	2.1
174.03072	2.2
174.06120	4.7
174.98640	1.9
175.00960	0.9
175.03130	0.7
175.04533	3.2
179.04068	23.5
179.06976	2.7
179.08344	1.7
179.10593	1.2
179.99200	2.6
180.10306	2.3
187.04607	0.9
188.07793	0.9
189.06174	0.9
190.05676	1.4
196.04408	0.8
197.03079	1.6
197.04874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.03949	0.3
55.01857	0.7
55.05505	0.4
57.07060	0.2
65.03931	0.3
67.01864	1.5
67.05511	1.2
68.99794	3.1
69.03423	0.3
69.07046	0.3
69.69000	0.8
70.07416	0.2
71.01342	0.6
71.01703	0.1
71.04984	0.2
77.03915	0.2
79.05502	0.8
81.03419	0.8
81.07070	1.3
82.43180	0.1
83.04994	0.4
88.65501	0.2
91.01846	0.3
91.05480	1.6
93.07050	0.9
95.01322	0.4
95.04969	1.1
95.08617	1.1
96.08932	0.2
98.21399	0.3
105.03389	0.9
105.07042	1.6
107.08584	0.8
108.08946	0.3
109.02883	0.4
109.06519	0.3
109.10133	0.5
111.04437	2.3
119.04958	1.4
119.08562	0.8
121.06538	0.3
121.10155	0.5
122.10444	0.4
123.04433	2.3
123.08057	0.6
123.11725	0.2
125.02324	0.2
127.03920	0.5
133.02882	2.3
133.06468	0.5
133.10127	1.4
135.11700	0.2
137.02356	1.4
137.05991	0.6
137.09598	0.4
147.04434	1.6
151.03893	0.7
151.07565	0.7
151.11214	0.3
155.03413	1.7
161.02356	0.9
161.06001	0.5
161.09605	0.6
161.13239	0.3
178.16776	0.2
179.03400	100.0
179.10397	0.8
179.14287	0.7
180.03735	1.5
180.06499	0.2
180.07957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01878	3.0
55.05501	1.3
57.03438	0.6
59.05001	0.5
65.03930	1.8
66.93104	0.4
67.01876	2.2
67.05510	10.3
68.99799	3.4
69.03415	1.4
69.07065	3.0
70.85616	1.3
71.04977	0.6
77.03922	0.8
79.05500	3.9
81.03403	1.2
81.07065	6.1
83.04989	0.9
89.03958	0.4
91.05489	6.9
93.07079	2.4
94.06572	0.9
95.04372	0.9
95.04971	12.4
95.08611	4.5
96.08917	0.5
97.06522	0.6
103.05462	0.7
105.03408	1.0
105.04549	0.7
105.07043	5.2
107.04941	2.7
107.08594	1.9
108.08939	0.5
109.02886	0.4
109.06551	2.0
109.10173	2.9
111.00706	0.3
111.04430	0.6
118.04236	0.4
119.04951	4.9
119.08595	2.6
121.06518	1.4
121.10130	1.2
122.10497	0.7
123.04437	46.7
123.08060	1.6
123.11702	1.2
131.04895	0.7
133.02852	1.6
133.06488	2.4
133.10141	5.0
135.04430	5.0
135.11676	1.3
136.02147	0.4
136.05208	0.5
136.07654	0.4
137.02376	0.5
137.06012	1.9
137.09570	1.0
145.42017	0.4
146.03639	0.5
146.07320	0.5
147.04433	6.9
150.03114	4.5
151.03941	3.9
151.07558	3.0
151.11197	0.9
161.06003	2.9
161.09654	1.8
161.13277	1.6
162.09210	1.0
170.94133	0.4
179.03410	100.0
179.06943	5.0
179.10536	2.6
179.14272	2.7
180.03784	2.0
180.08032	0.5
184.53198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	5,7-Dihydroxychromone
Peak:m/z	Relative Intensity
53.03930	1.7
55.01878	3.0
55.05501	1.3
57.03438	0.6
59.05001	0.5
65.03930	1.8
66.93104	0.4
67.01876	2.2
67.05510	10.3
68.99799	3.4
69.03415	1.4
69.07065	3.0
70.85616	1.3
71.04977	0.6
77.03922	0.8
79.05500	3.9
81.03403	1.2
81.07065	6.1
83.04989	0.9
89.03958	0.4
91.05489	6.9
93.07079	2.4
94.06572	0.9
95.04372	0.9
95.04971	12.4
95.08611	4.5
96.08917	0.5
97.06522	0.6
103.05462	0.7
105.03408	1.0
105.04549	0.7
105.07043	5.2
107.04941	2.7
107.08594	1.9
108.08939	0.5
109.02886	0.4
109.06551	2.0
109.10173	2.9
111.00706	0.3
111.04430	0.6
118.04236	0.4
119.04951	4.9
119.08595	2.6
121.06518	1.4
121.10130	1.2
122.10497	0.7
123.04437	46.7
123.08060	1.6
123.11702	1.2
131.04895	0.7
133.02852	1.6
133.06488	2.4
133.10141	5.0
135.04430	5.0
135.11676	1.3
136.02147	0.4
136.05208	0.5
136.07654	0.4
137.02376	0.5
137.06012	1.9
137.09570	1.0
145.42017	0.4
146.03639	0.5
146.07320	0.5
147.04433	6.9
150.03114	4.5
151.03941	3.9
151.07558	3.0
151.11197	0.9
161.06003	2.9
161.09654	1.8
161.13277	1.6
162.09210	1.0
170.94133	0.4
179.03410	100.0
179.06943	5.0
179.10536	2.6
179.14272	2.7
180.03784	2.0
180.08032	0.5
184.53198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
51.46954	0.4
51.73319	0.4
65.95171	0.3
67.05488	0.4
70.29081	1.4
79.44715	0.4
80.38775	0.4
81.62160	0.3
82.66424	0.3
87.16631	0.3
90.04237	0.8
91.05444	0.6
93.05811	0.4
105.06970	0.5
106.06583	0.4
107.08584	0.4
115.05472	0.4
117.03427	0.4
117.07014	1.3
118.03719	1.6
118.06549	8.6
119.04937	0.4
119.07336	8.5
132.08098	0.6
134.09659	56.0
135.10005	1.1
137.05942	0.4
140.75987	0.4
146.03191	1.6
160.11215	1.1
162.09172	2.3
163.09908	0.9
178.12279	100.0
179.12639	2.1
190.28503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03946	1.8
55.05511	11.9
57.07083	1.6
58.51121	0.8
65.03933	1.1
67.05502	8.3
69.07071	27.3
70.77157	0.8
70.77527	2.3
71.08642	1.0
71.22805	0.7
77.03918	0.8
78.04708	1.1
79.05070	1.0
79.05501	13.0
79.36483	0.7
81.07062	17.0
83.08620	16.6
84.36047	0.7
89.03933	11.6
91.05486	11.6
93.07048	33.1
95.04974	1.9
95.08613	34.6
96.08947	1.0
97.10175	3.0
98.09692	1.0
98.98468	8.2
99.05890	0.8
103.05450	2.2
105.07026	8.3
106.04190	2.5
107.04984	0.9
107.08598	65.8
108.08203	1.2
109.06520	1.2
109.10169	13.2
115.02190	0.8
117.03379	16.5
117.07012	1.4
119.06084	1.0
119.08566	2.7
121.06517	3.5
121.10151	100.0
122.10522	0.9
123.08112	0.8
131.04930	1.2
131.08575	2.4
133.10118	2.5
134.03661	2.0
134.09377	1.0
135.04449	1.4
135.11697	17.5
145.02855	22.0
149.02333	1.7
149.05983	7.9
149.13245	6.7
149.93779	0.8
155.11754	1.5
159.08015	1.3
159.11780	2.0
162.03166	1.9
177.05493	12.1
177.09065	5.2
177.12871	4.2
177.16399	56.9
178.08612	0.7
178.16618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0913
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03941	0.6
55.01874	0.4
55.05520	1.6
56.05065	0.3
65.03945	0.7
67.05514	1.2
68.99789	0.5
69.07072	2.6
69.38876	0.3
70.06573	0.7
70.56211	0.4
70.56568	0.7
77.03889	0.3
78.04706	1.0
79.05140	0.3
79.05504	3.6
81.07065	2.8
83.04961	0.4
83.08620	1.4
85.04050	0.3
88.02202	0.3
89.03928	7.9
91.05487	7.7
93.07051	6.9
95.04959	0.8
95.08612	4.3
95.68734	0.2
98.09702	0.4
98.98479	5.5
103.05479	2.2
105.04536	0.3
105.07045	3.0
105.69173	0.2
106.04170	2.4
106.07821	0.5
107.04945	0.8
107.08606	6.4
109.02734	0.3
109.06548	0.5
109.10168	1.6
115.05463	4.4
116.06260	3.3
117.03394	12.5
117.07024	12.6
119.04937	1.9
119.08578	1.0
121.02856	0.5
121.06515	4.7
121.10152	8.6
129.07059	0.5
131.04921	1.0
131.08597	2.7
132.05772	0.3
133.06514	3.6
133.08661	0.3
133.10124	0.6
134.03648	1.8
134.07288	4.4
135.04448	1.4
135.08076	1.9
135.11714	2.4
144.05724	2.7
145.02858	15.4
145.06494	1.8
146.03282	0.3
147.04437	0.6
147.08072	0.4
148.08743	0.3
149.02342	1.7
149.05998	8.4
149.09613	2.0
149.13272	0.7
150.12845	0.3
155.11783	0.8
159.08044	1.5
159.11697	1.0
161.05992	1.2
162.03142	1.1
162.06764	13.8
163.03949	0.7
163.07216	0.3
165.33749	0.2
175.07594	0.5
177.05588	10.1
177.09119	100.0
177.16414	4.5
178.06055	0.4
178.09622	2.0
186.05519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02364	0.3
53.03955	0.6
55.01868	0.5
55.05503	1.1
60.05639	0.3
65.03938	0.4
65.06155	0.3
67.05495	0.7
67.57381	0.2
69.07059	0.8
70.06594	1.6
70.06915	0.3
71.06099	0.7
71.51491	0.4
77.03926	0.3
77.32569	0.3
78.04709	1.5
79.05485	1.3
81.03417	0.3
81.07048	0.7
87.07968	0.3
89.03922	9.5
91.05487	5.8
93.07051	1.8
95.04989	0.6
95.08596	0.9
98.09681	0.6
98.98476	4.1
103.05483	2.1
105.03368	0.4
105.04528	0.3
105.07033	1.8
106.04180	3.1
106.07809	0.5
107.04946	0.8
107.08619	1.6
108.08151	0.3
109.10186	0.4
112.08750	0.4
115.05457	4.1
116.06264	3.4
117.03387	14.8
117.07024	12.1
119.04966	1.8
119.08564	0.6
120.05595	0.3
121.06510	4.6
121.10136	1.6
122.09692	0.3
123.04412	0.5
129.07025	0.5
131.04926	0.9
131.08549	1.0
133.06505	3.4
134.03645	2.4
134.06306	0.4
134.07275	4.6
134.09491	0.4
135.04428	2.4
135.08080	2.3
135.11708	0.8
144.03993	0.3
144.05685	2.0
145.02855	19.5
145.06470	2.4
146.03271	0.4
146.07298	0.6
147.04416	1.3
147.08017	0.6
148.05203	1.1
149.02399	0.6
149.04794	0.4
149.05997	7.1
149.09608	1.0
149.13289	0.5
150.12836	0.3
155.11830	1.9
159.08163	0.7
159.11673	0.5
161.05992	1.3
162.03090	0.9
162.06773	13.6
163.03893	0.9
175.07619	0.6
175.29517	0.3
177.05646	7.0
177.09113	100.0
178.09503	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1436
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
50.28671	0.2
50.75711	0.2
52.88203	0.2
53.03954	0.2
55.86634	0.2
56.96576	0.2
57.07085	0.2
57.60075	0.2
59.77518	0.2
61.05348	0.2
67.05508	0.4
69.07085	0.5
70.06587	0.6
71.06934	0.8
71.24505	0.4
72.08163	0.2
76.41125	0.2
78.04720	0.4
79.05505	0.5
81.03439	0.2
81.07070	0.6
83.08632	0.3
85.68682	0.2
89.03920	2.2
91.05495	1.6
92.05851	0.5
93.05779	0.2
93.07047	1.2
94.06554	0.2
95.04987	0.2
95.08609	0.9
98.98471	2.2
103.05494	0.3
105.07053	0.8
106.04183	1.4
106.06686	0.2
106.07375	0.8
107.08606	1.0
109.10154	0.3
110.58094	0.2
113.28386	0.2
117.03400	2.8
117.05739	0.2
117.07041	0.3
117.78873	0.2
118.06550	30.2
119.07333	0.7
119.08574	1.0
120.08128	0.6
120.08933	1.8
121.06493	0.8
121.10153	1.3
130.06563	0.7
130.08649	0.2
131.08554	0.6
132.08099	7.9
133.08900	2.7
133.10034	0.4
134.03633	0.5
134.09593	1.5
134.10541	1.4
135.04369	0.3
145.02866	3.0
146.09647	7.5
147.04420	0.3
147.10422	0.8
148.07562	0.3
148.12067	0.5
149.06024	2.0
149.07179	0.3
149.09573	0.3
159.07930	0.4
159.11705	0.3
160.11237	1.6
161.11935	0.3
172.55295	0.2
176.07033	1.3
176.14342	100.0
177.05489	1.6
177.09053	0.5
177.12785	0.3
177.14680	2.3
177.16393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03952	0.9
55.05513	1.0
63.02355	1.2
65.03935	0.5
65.06116	0.7
67.58122	0.5
68.45834	0.6
69.07065	0.7
70.06592	2.4
70.79107	0.9
70.79420	0.7
71.06112	0.9
72.08145	0.7
78.04724	3.4
79.05485	0.7
84.06909	0.7
87.07958	1.3
89.03922	50.4
90.04255	1.0
91.05467	3.4
93.07059	1.1
95.04958	0.6
97.07678	0.7
98.09699	1.3
98.98490	0.7
103.05474	2.6
105.03416	1.0
106.04181	3.7
107.08598	0.7
108.08144	0.8
117.03386	78.8
118.03703	1.0
122.09667	0.9
127.08704	0.9
134.03645	9.5
134.09467	0.7
135.04431	3.2
145.02853	100.0
146.03180	2.4
149.05991	24.4
150.12747	1.2
151.13553	0.7
155.11787	5.4
155.61903	1.1
160.07498	0.6
162.03146	2.5
163.03880	2.9
177.05484	22.7
177.08983	0.7
178.05772	0.7
186.05453	1.2
186.18330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.02
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.9
53.03709	2.5
53.03951	42.3
54.04716	2.4
55.05514	15.0
58.99590	4.9
59.96728	1.9
60.05639	5.3
61.01156	28.0
62.99079	14.8
65.00646	13.8
65.03937	5.0
67.04228	2.2
67.05496	5.9
68.05028	8.1
69.03427	9.6
69.05843	1.4
69.07070	2.3
70.06590	10.9
70.67540	3.3
70.67881	1.8
70.99550	1.8
71.04990	6.7
71.06931	12.6
71.99117	10.4
73.01130	2.9
74.99084	2.8
75.02701	4.8
78.03454	14.9
78.96784	3.6
80.05013	2.5
81.07046	2.0
82.99568	4.1
84.00333	1.8
85.01135	64.6
86.01897	1.9
87.02699	56.6
89.00616	3.4
89.03880	7.8
91.05489	2.9
92.05811	2.5
96.04498	74.3
98.98483	4.9
100.02208	2.6
101.03016	2.8
101.04255	11.9
103.02174	33.2
104.02953	3.7
105.07024	2.6
106.04158	2.7
107.08586	1.7
112.02197	100.0
113.03007	2.9
117.03570	15.3
117.07482	2.5
118.06547	2.3
120.08080	2.2
120.08909	2.7
121.06496	1.6
126.58424	1.4
130.06586	7.3
130.07375	1.8
131.10080	2.2
134.10493	2.8
145.02870	18.0
148.07472	1.9
149.05969	5.3
158.06020	1.9
168.30730	1.6
176.02014	66.3
176.07123	4.9
176.10736	2.1
176.12338	1.5
176.14220	2.3
176.15495	1.7
177.05457	7.1
177.09129	6.2
195.72038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03952	1.1
53.25641	0.4
55.01867	0.8
55.05263	0.8
55.05514	8.5
56.96566	0.8
57.07080	1.4
60.05652	15.3
65.03936	3.0
67.05505	3.4
69.03391	0.5
69.07071	21.2
70.06597	39.7
70.16160	1.3
70.16557	1.0
71.05005	1.1
71.06924	0.5
72.08163	1.7
77.03939	0.9
77.99953	0.5
79.05488	4.6
80.74286	0.4
81.07059	11.4
83.04983	0.5
83.08628	4.7
86.05342	0.4
89.03905	2.5
91.05487	39.3
93.07043	6.9
95.04997	1.3
95.08615	7.5
97.02907	1.8
98.98473	37.9
99.50550	0.5
103.05478	1.5
104.06293	1.0
105.07038	40.1
107.04979	0.8
107.08589	8.6
111.04445	0.5
112.08739	2.0
115.05428	2.4
115.08688	0.6
116.06297	0.4
116.07096	10.4
116.99478	0.5
117.07021	4.3
118.04168	0.5
119.04948	11.6
119.08588	100.0
120.08949	1.8
121.06474	0.5
121.10166	3.8
128.06239	1.4
129.03401	0.5
129.07001	4.3
130.06516	0.5
130.09770	5.2
131.08575	6.7
132.02113	0.6
132.05743	1.2
132.09360	0.9
132.95834	0.6
133.10138	79.2
134.10454	1.1
135.11731	0.7
142.07829	0.9
143.43123	0.5
145.02869	0.9
145.10129	7.5
146.10924	1.2
147.04420	8.0
147.08084	2.5
147.11700	16.6
150.03151	0.6
151.93857	0.8
157.04057	1.5
157.06461	0.7
157.10086	2.7
158.09242	2.5
158.10899	0.6
159.11736	0.8
160.05182	2.1
160.08846	0.6
160.12479	4.8
173.13263	2.9
175.03944	6.2
175.07536	9.4
175.11369	4.9
175.11856	5.3
175.14832	94.2
175.18913	1.6
176.15300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03957	0.6
55.01850	0.4
55.05511	4.1
57.07081	0.8
63.62010	0.5
67.05505	1.4
69.07071	14.2
70.06606	0.9
79.05494	3.1
81.07071	6.1
83.08609	2.5
83.94039	0.5
87.68098	0.4
87.98838	0.4
91.05486	12.4
92.90431	0.5
93.07050	3.8
95.04929	0.6
95.08620	4.4
98.98472	24.9
103.05473	1.2
104.06196	0.6
105.07037	26.9
106.07395	0.5
107.08607	5.7
107.85943	0.4
109.10199	0.5
109.67264	0.4
112.28259	0.5
115.05466	0.7
117.07027	3.7
119.08588	69.6
120.08882	1.1
121.10151	1.7
129.06992	2.0
131.08566	5.2
133.10136	67.0
134.10406	1.2
135.11714	0.7
142.07747	1.9
144.09363	1.0
145.10132	14.2
146.10823	1.5
147.08051	0.7
147.11697	30.6
148.12082	0.6
157.04280	1.3
157.10159	2.2
158.47638	0.6
159.11711	6.3
160.08836	0.7
160.12477	9.2
161.13187	1.5
173.13249	1.8
175.11395	5.4
175.14832	100.0
176.15303	2.6
187.12390	0.6
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
53.03941	0.6
55.05517	8.4
57.07071	1.0
60.05659	6.0
67.05518	2.6
69.07073	24.2
70.06599	16.8
72.08160	0.6
77.03929	0.8
79.05496	3.2
81.07068	8.5
83.08637	4.3
91.05490	13.4
91.88148	0.5
93.07063	5.0
95.04978	0.9
95.08620	6.8
95.75531	0.6
98.98480	11.5
103.05495	1.4
105.07039	31.0
107.08588	6.1
115.05466	1.4
116.07100	4.8
117.07040	3.9
118.07835	0.8
119.08591	99.1
120.08892	1.0
121.10137	3.0
128.06236	1.8
129.07018	4.8
130.09769	2.1
131.08594	5.4
132.09341	0.9
133.10143	82.3
134.10332	0.8
135.11716	1.0
145.10152	7.7
146.10909	2.0
147.04430	0.9
147.07024	0.5
147.08081	1.7
147.11696	15.0
155.05988	0.5
157.06511	2.7
157.10114	1.0
158.09276	0.8
159.11658	0.9
160.05194	2.2
160.12505	4.4
173.13271	2.8
175.03923	0.7
175.06064	0.8
175.07564	8.2
175.11600	2.7
175.14839	100.0
175.18916	1.6
176.15279	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	1.2
55.05510	10.8
57.07057	1.3
59.23509	0.8
60.05373	1.1
60.05651	20.0
60.06113	0.8
63.20378	0.8
65.03944	0.9
67.05506	4.8
69.07072	19.0
70.06593	64.0
70.41640	1.6
70.42036	1.8
72.08132	2.0
75.37743	0.8
79.05500	4.9
81.07061	16.4
83.04981	0.8
83.08631	5.2
91.05481	23.2
92.05799	0.9
93.07047	8.9
95.08601	12.7
97.02943	0.9
98.20849	1.2
98.98469	39.9
98.99133	2.0
101.09694	0.8
103.05494	0.9
104.06210	1.3
105.07034	44.9
107.05009	1.2
107.08598	8.2
109.10130	1.0
112.08722	2.9
115.05452	2.4
116.06329	0.8
116.07093	16.4
117.07038	4.6
118.06554	1.6
119.04971	2.0
119.08581	99.4
120.08858	2.0
121.10133	2.6
128.06221	2.7
128.31512	1.0
129.07014	4.8
130.09749	7.3
131.04884	1.2
131.08580	8.6
132.05675	1.1
133.10132	82.6
134.10474	1.4
142.07770	1.2
145.10103	6.3
146.10902	2.4
147.04430	5.9
147.08058	3.2
147.11687	19.2
155.04880	1.4
157.06432	1.4
157.10095	1.9
158.09229	4.0
159.11711	1.7
160.05208	3.9
160.12453	4.9
161.31583	0.8
173.06059	6.2
173.13254	3.0
175.03972	8.6
175.05591	4.0
175.07506	12.7
175.11876	10.6
175.14827	100.0
176.14162	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	175.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58972	0.3
60.05654	36.5
61.92743	0.3
69.96449	1.3
70.06597	100.0
71.04997	1.5
71.06932	0.7
72.08165	3.5
84.08099	0.4
87.15171	0.3
88.07626	0.7
97.07642	0.5
98.06102	0.6
112.08739	4.4
113.07123	0.4
114.10321	0.9
115.08707	0.9
116.07104	26.1
130.09772	11.7
157.10841	1.0
157.40887	0.3
158.09271	7.5
175.11917	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	175.1192
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
60.05654	33.6
60.57587	0.4
62.10233	0.4
68.05031	0.5
70.06598	100.0
70.44814	0.8
70.45141	0.8
71.04992	1.3
71.06932	0.5
72.08156	4.7
76.60947	0.5
78.55246	0.4
85.01433	0.5
88.07640	0.7
97.07639	0.4
98.06087	0.7
100.15401	0.4
101.00896	1.2
112.08732	5.2
115.08717	0.6
116.07104	28.6
119.01911	1.3
130.09772	12.8
133.03455	1.3
157.10880	0.7
158.09276	5.9
175.04514	2.3
175.11920	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	175.1191
Annotation	DL-Arginine
Peak:m/z	Relative Intensity
51.14804	0.4
60.05336	0.5
60.05653	34.2
70.06596	100.0
70.10361	0.9
70.10764	1.1
71.04996	1.2
71.06932	0.9
71.73085	0.5
72.08156	4.9
88.07587	0.7
91.20030	0.4
97.07642	0.9
98.06041	0.8
98.20843	0.6
98.40865	0.5
101.00883	0.8
103.02440	0.5
112.08723	4.1
114.10275	1.0
115.08720	0.6
116.07099	26.7
117.07436	0.4
119.01918	1.4
130.09769	12.2
133.03471	1.3
155.17085	0.4
157.10854	1.2
158.09250	7.0
175.04539	1.6
175.11913	18.9
175.13443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01855	2.3
55.05507	4.5
57.03440	91.2
57.03842	2.3
58.03745	1.5
60.05653	11.8
65.03915	1.0
67.05504	4.3
69.03417	1.7
69.07079	9.8
70.06597	38.1
71.04977	1.1
71.51309	1.5
71.51665	1.0
72.08138	1.6
72.78571	1.0
79.05493	4.4
81.03383	1.8
81.07072	5.1
83.08610	1.6
91.05487	25.9
93.07057	4.6
95.04958	2.1
95.08580	1.3
97.02864	2.6
98.62084	0.8
98.98473	81.0
103.05469	0.9
105.07037	22.6
107.04912	2.6
107.08565	3.9
107.51428	0.9
111.04424	1.4
112.08672	1.6
113.02010	0.9
115.05370	2.2
116.07101	8.1
116.99462	1.2
117.06994	6.2
119.04887	1.6
119.08590	100.0
120.08916	1.7
121.06465	1.6
121.10119	1.7
125.02324	1.4
128.06213	1.8
129.07001	6.0
130.09804	4.5
131.04877	1.4
131.08559	4.9
132.05656	1.3
133.06487	4.7
133.10136	34.1
136.01500	1.5
142.07721	4.1
145.06465	1.9
145.10062	3.2
146.07220	4.0
147.04382	2.3
147.07172	0.8
147.08061	10.0
147.11694	12.2
151.93706	1.1
157.10091	6.7
158.09209	2.3
160.05142	2.4
160.08826	2.6
165.18147	1.1
175.03848	3.1
175.06094	1.7
175.07510	6.6
175.11137	51.0
175.14821	34.4
176.11618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03932	1.8
54.15726	0.7
55.01866	2.0
55.05518	4.6
57.03441	23.1
60.05658	7.7
61.18798	0.8
65.03921	0.9
67.05508	12.5
69.03426	1.8
69.07088	4.4
70.06599	23.6
71.24752	1.6
71.25085	0.9
77.01514	0.8
79.05492	6.7
81.07059	4.5
83.01463	0.7
83.04969	1.1
83.08623	1.0
91.05488	20.6
92.90068	0.9
93.07024	3.8
95.04466	0.9
95.04980	12.9
95.08600	2.2
97.02898	1.1
98.98475	45.3
103.05457	1.4
105.07040	27.7
106.07365	1.6
107.04961	7.1
107.08566	3.7
108.29855	0.8
115.05472	2.9
116.06290	1.2
116.07072	7.4
117.07010	7.6
118.07796	1.0
119.04923	1.2
119.08588	69.4
120.08906	1.2
121.06504	4.5
128.06229	2.8
129.07014	6.9
129.52687	0.7
130.09731	2.5
131.04919	3.6
131.08528	3.8
132.05667	3.3
132.09335	0.9
133.05470	1.6
133.06502	28.0
133.10135	20.4
135.08083	2.1
141.06929	1.1
142.07782	8.9
145.06494	11.2
145.10135	2.9
146.07272	35.4
147.08060	71.4
147.11685	15.8
148.08415	1.4
151.93872	1.6
157.04288	1.1
157.07599	2.6
157.10135	9.0
158.09207	1.9
160.08850	9.2
173.09653	1.4
173.13187	0.9
175.03880	1.1
175.07475	3.9
175.11171	100.0
175.14781	20.0
176.11478	2.5
185.79768	0.9
187.84256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05518	1.1
59.05020	0.3
60.05653	22.2
65.03928	0.4
67.05498	0.7
69.07068	3.7
70.06593	61.1
70.32497	0.2
71.05000	1.2
71.06930	0.6
72.08157	2.6
79.05491	1.1
80.05051	0.4
81.03428	0.3
81.07056	2.0
83.08625	0.4
91.05482	5.0
92.05026	0.4
93.07060	1.3
95.08601	0.9
97.02894	0.5
97.07658	0.4
98.06044	0.4
98.21425	0.3
98.98473	9.7
103.05524	0.3
103.77978	0.2
104.06242	0.3
105.04520	0.9
105.07034	5.8
106.06562	1.1
107.04948	0.4
107.06094	1.3
107.08606	1.0
108.06857	0.4
112.08723	2.7
113.07118	0.4
114.10290	0.3
115.05461	0.8
115.08725	0.5
116.07098	18.1
117.07022	0.9
119.04926	0.2
119.06083	1.0
119.08588	15.9
120.05587	0.9
121.10088	0.3
129.06995	1.9
130.09772	7.6
131.05109	0.3
131.06062	0.9
131.08588	1.1
132.05659	1.0
132.06683	0.3
133.06372	4.3
133.07597	1.4
133.10138	13.3
134.07153	2.4
134.10497	0.3
137.06160	0.3
142.07802	0.4
145.06537	0.5
145.10153	1.1
146.07130	3.7
147.04439	1.3
147.06677	6.5
147.07991	1.0
147.11697	2.6
148.07559	0.4
148.08685	2.0
149.94695	0.3
155.05003	0.3
155.20203	0.3
157.06406	0.9
157.10864	0.9
158.07179	3.5
158.09253	4.4
159.07925	5.3
160.05225	1.0
160.07494	0.4
160.12531	0.9
173.06046	0.9
173.13301	0.5
174.09007	2.5
175.03926	0.9
175.07693	3.6
175.09804	100.0
175.12051	9.9
175.14812	15.8
176.10178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.05496	1.1
56.92793	0.9
57.03443	100.0
59.04992	1.2
60.05664	5.2
67.05501	1.5
69.07078	1.4
70.06596	14.2
71.06213	2.7
71.06570	1.0
79.05495	2.2
79.11282	1.0
81.07036	1.8
91.05495	10.0
93.07027	1.3
95.22722	1.1
97.02882	1.5
98.98476	46.0
105.06507	0.9
105.07037	9.4
107.04929	1.1
116.07061	4.4
117.06985	4.0
119.08592	50.5
120.08904	1.3
126.92379	0.9
129.06975	2.7
130.09787	1.7
131.08562	2.7
133.06433	1.3
133.10144	6.6
134.06044	1.1
137.22227	1.0
142.07745	3.7
145.10017	1.1
146.07280	0.9
147.08006	4.1
147.11697	5.1
151.93991	0.9
157.10124	4.3
160.08878	1.2
175.07614	1.1
175.11169	33.0
175.14771	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	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
50.12025	0.8
53.03932	1.1
55.05498	3.0
56.05047	4.4
57.03439	8.7
57.07073	0.9
60.04531	43.1
60.05654	4.4
61.02917	2.0
67.05499	1.0
68.05022	5.5
69.03432	16.2
69.07059	2.9
70.06261	1.0
70.06600	14.1
70.82516	2.0
70.95868	1.7
72.04500	0.9
72.93784	3.3
81.07050	1.8
82.06583	1.7
83.04980	1.0
84.04507	30.3
84.05278	1.3
85.02909	13.1
86.06042	3.8
87.04434	1.4
90.94843	1.7
91.03970	0.8
91.05486	5.2
96.04498	12.9
97.02898	100.0
98.03172	1.0
98.98465	21.8
100.03960	1.1
100.07604	1.1
102.05560	9.5
102.06235	1.5
105.07025	4.9
110.05966	1.6
111.98514	0.9
112.04820	1.8
114.05540	33.1
115.03931	5.6
116.07121	2.6
117.07031	0.9
118.06557	3.2
119.08585	9.8
128.04994	1.0
128.07037	1.8
128.10733	0.9
129.07031	1.3
131.06065	0.9
131.08577	1.4
132.05716	0.9
132.06580	3.9
132.08046	4.2
132.08955	1.9
132.95837	5.2
133.10118	7.7
138.05498	1.1
144.08127	1.8
145.08917	1.0
146.06010	2.4
146.10458	1.3
147.04407	0.9
147.08125	0.8
147.11714	2.0
150.96912	4.8
156.06419	1.6
156.07526	1.4
157.10178	1.0
158.09438	1.2
159.10446	1.1
160.05231	1.2
172.05695	1.1
174.05289	1.8
174.07645	67.1
174.12598	8.5
174.18541	2.3
175.03935	1.1
175.07668	3.1
175.11346	1.0
175.11836	1.1
175.14813	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	174.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
53.09270	0.5
55.05518	0.7
56.05849	0.5
56.08010	0.4
56.96569	3.0
57.03429	0.5
60.04501	0.6
60.05653	2.0
67.05524	0.4
69.07070	0.5
69.94543	1.9
70.06606	5.2
70.95879	0.6
70.98116	1.0
72.93784	1.3
77.03950	0.6
79.05550	0.5
82.06594	0.8
83.04926	0.5
84.04500	0.6
85.02914	0.8
90.94826	0.7
91.05488	7.1
92.05827	3.4
96.04482	1.4
97.02879	0.9
98.97964	0.5
98.98486	5.2
104.04992	6.8
105.07025	1.4
105.52625	0.6
110.06060	0.5
111.98489	0.6
113.02398	0.9
114.02739	0.6
116.07083	1.8
118.06536	0.8
119.04865	0.5
119.08575	2.4
121.02818	0.6
122.06048	7.8
125.98547	0.4
127.03561	5.4
128.06227	0.5
128.07097	1.2
129.07001	0.6
130.07368	0.7
130.09758	0.8
132.04442	1.0
132.08043	1.1
132.08907	1.6
132.95837	2.3
133.10147	2.0
134.04045	1.4
141.03035	0.5
144.08929	1.4
145.10066	0.4
146.01222	0.6
146.06006	1.3
146.07101	0.6
146.10495	1.0
147.04460	0.8
147.11661	0.4
149.96124	0.5
150.05490	2.1
150.96864	2.1
151.97356	0.4
152.03152	0.5
152.05063	1.7
153.03906	0.8
154.03381	1.0
154.04645	20.6
157.06421	0.5
159.11296	0.8
162.03555	0.6
172.05702	100.0
173.06012	2.2
173.08234	0.7
173.98546	0.8
174.05276	73.4
174.08975	5.4
174.12735	1.4
174.13727	1.6
175.03908	1.3
175.05629	1.4
175.07581	1.2
175.09804	5.4
175.11382	0.6
175.11975	0.8
175.14798	2.1
192.03131	0.4
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
55.01855	0.4
55.05507	1.5
56.05035	11.4
58.67181	0.5
67.05499	0.6
67.40245	0.4
69.03439	0.5
69.07069	1.4
71.05999	1.0
71.08635	20.0
72.04523	2.5
74.69504	0.5
76.66218	0.4
79.05508	1.0
81.03430	0.8
81.07076	0.6
83.04963	0.7
83.06102	1.4
83.08633	0.9
84.04507	100.0
85.04797	0.5
88.11272	47.4
89.07159	1.8
89.11615	0.7
95.04985	0.7
98.06052	0.5
102.90937	0.5
107.08620	1.7
109.02895	1.0
111.04462	1.0
111.08099	2.1
125.09626	0.8
126.09122	0.8
128.06235	0.6
133.10991	0.4
153.01886	1.0
154.12332	1.2
156.09418	1.0
171.02983	0.8
171.10249	0.7
171.11676	0.6
171.14957	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.08591	0.5
55.05519	9.3
55.93536	0.6
57.03442	1.0
57.07076	2.3
58.07435	0.6
59.05009	1.9
60.87304	0.6
62.55078	0.5
65.11663	0.5
67.05511	2.9
71.08624	1.3
71.41083	1.1
72.93799	6.9
74.06090	1.0
76.02239	1.1
79.05496	1.7
81.03437	1.6
81.07070	2.3
83.04987	9.1
86.06076	0.7
88.07634	2.8
89.02405	1.0
89.07989	2.0
90.90393	2.1
90.94845	6.8
91.05494	11.3
99.04471	0.8
101.06026	7.7
102.09187	1.3
103.03307	2.2
103.05496	0.8
103.09533	1.0
105.07042	12.4
108.95882	1.0
111.04443	11.7
113.06042	1.2
113.96401	1.4
115.05482	2.7
116.06234	3.0
117.07034	8.4
118.06556	0.6
119.08587	13.4
127.07575	1.0
127.09469	0.7
128.06238	3.0
128.07086	0.8
129.05528	3.7
129.07013	9.9
130.07802	3.5
131.08580	84.7
131.93039	1.8
132.08908	1.7
133.10136	2.2
142.07779	0.9
143.08575	27.5
144.09367	8.9
145.06531	0.8
145.10136	28.3
148.11755	0.7
149.94064	1.5
149.96143	2.4
155.07048	7.0
155.08481	1.4
156.09291	1.0
157.10127	1.9
158.07288	1.6
158.10927	35.4
159.11658	1.6
167.97195	1.6
171.11742	2.2
173.04596	1.3
173.05974	1.1
173.08232	9.9
173.09685	7.1
173.13281	100.0
173.17325	15.3
174.13640	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03951	1.6
55.05276	1.2
55.05517	20.3
57.03438	0.7
57.07080	1.1
59.05004	3.9
65.03910	0.8
67.05501	3.5
69.03421	1.9
71.05000	0.9
72.93790	8.6
76.02206	1.9
78.24450	0.8
79.05494	3.5
81.03430	4.6
81.07059	2.2
83.04989	22.0
87.04465	1.5
89.02396	1.4
90.90387	4.2
90.94837	7.1
91.05486	17.1
93.07023	2.2
95.05002	0.9
99.04446	1.5
100.18465	0.7
101.06016	13.3
103.03288	3.4
103.05476	0.9
105.07034	13.6
108.95859	2.0
111.04454	20.5
113.05984	1.5
113.96399	2.2
115.05453	3.4
116.06229	2.6
117.07027	14.2
119.08588	16.1
119.24525	0.9
127.07558	3.2
127.09492	1.7
128.06210	2.7
128.07065	1.4
129.05542	5.6
129.07002	13.9
130.07788	5.2
131.08575	81.2
131.92979	0.9
132.08902	1.9
133.10130	2.4
142.07782	2.1
143.08566	26.1
144.09341	11.9
145.06464	1.2
145.10130	40.9
146.10466	1.0
149.94066	2.7
149.96115	3.0
155.07059	14.0
155.08444	1.9
158.07289	2.3
158.10924	32.0
167.97162	2.5
171.11711	2.6
173.04550	1.3
173.05972	1.5
173.08243	18.3
173.09686	7.6
173.13269	100.0
174.05489	1.5
174.12834	3.0
174.13820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03941	1.0
55.01873	3.2
55.05512	3.8
56.96566	2.3
59.78668	0.4
65.03945	27.1
67.05508	2.8
68.99796	10.0
69.03431	2.3
69.07065	0.6
70.06594	0.6
70.15706	0.9
70.16086	0.9
70.94257	1.5
72.04534	2.7
79.01863	1.1
79.05492	2.3
81.03424	4.7
81.07057	2.5
83.01342	0.6
83.04987	12.1
83.08617	0.7
84.12312	0.4
88.95294	1.9
89.07162	1.6
93.03410	13.2
95.04945	0.6
96.02116	1.5
97.02904	2.0
97.06541	1.3
101.00890	0.7
107.01306	0.7
107.04939	0.9
109.02908	1.2
111.04448	83.8
112.04752	0.9
119.01934	1.1
121.02982	1.1
121.03997	9.8
122.10845	0.5
125.02377	1.0
126.01075	0.6
126.09193	0.6
127.03935	1.2
128.04225	1.1
129.03995	0.8
131.36362	0.4
139.03909	100.0
140.04260	1.3
143.03470	0.5
147.05022	0.7
147.96605	0.5
153.01820	3.9
153.05496	0.5
153.07419	0.7
156.03806	1.4
156.09312	0.6
171.02922	1.0
171.06529	5.1
171.07982	0.6
171.08521	0.5
171.14928	1.0
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	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
52.68276	0.5
53.03947	1.3
55.01876	3.4
55.05509	3.6
57.07058	0.6
65.03944	29.2
67.05499	2.5
68.02681	0.6
68.99796	10.3
69.03437	2.0
70.03669	2.9
70.94249	1.6
72.04510	2.6
75.98434	0.5
81.03406	4.7
83.01393	0.7
83.04986	13.8
83.08621	1.0
86.65765	0.6
88.95271	1.6
89.07158	1.9
91.61227	0.7
93.03411	15.6
95.04940	0.7
96.02106	1.8
97.02896	1.9
97.68484	0.6
109.02904	1.1
111.04447	86.3
112.04762	0.9
121.02876	1.0
121.03995	9.3
122.58857	0.7
129.53632	0.7
139.03909	100.0
140.04237	1.4
145.70145	0.6
171.02769	0.7
171.06534	4.6
171.07796	0.9
171.14845	1.4
179.47975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01877	5.8
55.05509	2.8
56.05025	0.9
56.96569	10.5
57.03442	5.9
58.99861	3.6
60.01399	0.8
61.02922	1.5
65.03939	2.9
67.02163	0.9
67.05497	2.0
68.02654	0.7
68.05016	1.2
68.99791	2.9
69.01913	1.5
69.03431	8.2
69.07078	0.9
70.03753	0.9
70.06602	4.5
70.94263	5.3
70.99861	5.3
71.01372	1.5
71.04993	3.5
72.04518	7.5
72.08159	0.8
73.02913	3.1
75.01907	1.0
76.02707	0.8
77.00909	3.1
78.02478	0.8
79.05502	2.9
81.01908	1.9
81.03423	9.3
81.07055	1.7
82.01436	5.7
82.03773	0.8
82.06589	1.6
82.99857	5.5
83.01351	1.2
83.04974	3.1
83.08621	2.4
83.99957	0.7
84.02437	0.9
84.04498	1.9
84.08144	2.5
84.52934	1.1
84.99258	1.0
85.01407	3.2
85.02897	6.0
85.07674	1.3
85.51922	1.1
85.53745	1.0
86.01494	1.6
86.03694	2.1
86.52696	2.2
87.04482	2.2
88.95300	5.3
89.00893	2.2
89.07160	4.7
90.02412	1.3
90.52965	2.4
91.02458	1.5
91.05493	1.3
93.53472	0.7
94.52446	0.9
95.01643	1.7
95.04978	1.1
95.52154	0.8
96.04506	1.6
97.01409	1.2
97.02885	5.3
97.06525	1.3
98.06069	3.2
98.54019	0.7
98.97582	2.3
99.04470	2.3
99.53471	1.0
100.00085	0.8
100.02493	14.6
100.05257	1.3
100.07631	1.5
101.00890	48.6
101.02554	1.6
102.00945	3.3
102.02305	1.4
103.00662	1.6
103.01375	0.9
103.02465	7.6
104.02103	1.0
104.52671	2.1
105.00395	1.3
105.02184	1.0
107.01309	1.5
107.04942	1.0
109.01376	15.9
109.02866	4.7
109.06525	1.2
109.51427	3.2
109.52975	1.6
110.02171	0.8
110.06120	0.9
110.97585	1.3
110.99088	0.9
111.00778	0.9
111.02927	0.9
111.04442	6.9
111.98997	1.1
113.00867	3.3
113.53218	3.4
114.03352	0.9
114.04050	2.1
114.52151	0.9
115.01360	1.9
115.02328	5.2
115.03115	0.7
116.02153	1.2
116.98631	1.6
117.03962	3.6
118.01132	1.8
118.01878	9.9
118.02664	1.0
118.03529	5.2
118.51969	1.7
119.01929	100.0
120.02040	5.3
120.52162	2.7
120.54003	3.3
121.01662	3.7
121.03494	1.9
121.52962	5.6
122.53710	2.0
124.01827	2.2
124.02577	1.4
124.07648	1.0
125.02555	2.9
125.06032	1.9
125.07938	1.6
126.03984	0.9
126.09174	1.5
127.02430	1.0
127.03917	2.2
127.99316	1.1
128.98589	1.2
129.00330	1.0
129.02106	1.3
129.04005	8.6
129.54495	3.3
130.00446	0.8
130.03477	0.8
130.53479	3.3
130.54315	1.0
131.01913	10.2
131.03601	0.8
132.02740	0.8
132.05043	1.0
133.01599	1.5
133.02509	0.9
133.03464	7.9
134.03795	0.7
135.03136	0.8
135.06371	8.0
137.02972	17.4
137.05983	1.0
138.02994	1.7
138.54984	5.1
139.00266	5.4
139.02776	1.1
139.03911	7.3
139.04990	1.1
141.02733	3.4
142.03529	7.1
143.00209	2.3
143.01682	16.3
143.03415	1.2
144.05090	3.0
145.03462	6.6
145.05173	0.9
146.99632	1.1
147.01421	6.1
147.03297	4.4
147.05043	28.3
147.96579	2.4
148.01526	3.8
148.02731	1.9
148.05144	3.7
149.01102	1.3
149.02942	1.7
149.04782	0.8
151.04533	1.3
153.01909	2.3
153.03979	1.2
153.07414	11.9
154.03503	3.2
154.08591	1.5
156.02559	1.4
156.05074	1.1
157.01381	3.9
157.03465	3.4
159.05006	4.4
159.54805	1.1
160.04680	1.9
161.01259	3.5
161.02994	4.9
163.04521	1.1
165.02483	1.6
165.04245	1.3
165.06087	4.9
165.97701	0.9
166.06291	0.9
168.05278	2.0
171.01257	9.2
171.03064	4.6
171.05040	10.1
171.06468	2.1
171.08504	1.4
171.09886	1.4
171.11356	2.6
171.14952	3.1
172.04559	1.7
172.09723	1.4
173.03038	1.4
173.04793	0.6
174.03856	2.6
175.00952	1.9
175.04532	2.1
177.02650	1.4
177.04237	0.8
185.02951	1.7
189.00665	2.4
189.02493	4.8
189.04332	1.5
189.06026	9.1
189.07565	1.4
190.05629	1.5
191.05701	0.8
192.77821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.017
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01953	45.5
66.10448	42.4
71.49600	66.7
86.04829	43.0
95.81451	49.8
101.00893	100.0
119.01943	91.3
131.12955	47.0
136.20612	44.8
143.38098	48.0
175.78290	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0815
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03954	1.1
53.78237	0.4
55.01878	2.3
55.05520	2.6
55.93539	2.3
56.05046	1.6
56.65002	0.5
56.96568	6.4
57.03446	3.4
58.99869	1.1
60.45538	0.4
65.03951	0.9
67.05527	1.4
68.05045	2.1
68.98309	0.8
68.99805	0.5
69.03437	4.9
69.07085	1.2
70.06596	2.8
70.34901	1.6
70.94266	1.5
70.95876	0.9
70.99857	0.7
71.05023	1.7
72.04532	0.9
72.08170	0.8
72.93806	0.7
73.02944	1.8
74.06111	0.5
77.00930	0.9
78.53783	0.5
79.05503	3.0
80.05024	1.1
81.03417	3.4
81.05827	0.7
81.07081	2.1
82.01450	4.1
82.02978	0.5
82.06577	4.9
82.99879	0.6
83.01360	0.6
83.05002	1.0
83.06116	1.6
83.08669	0.6
84.04523	3.6
84.08167	1.4
84.94908	0.6
85.01432	3.7
85.02892	3.0
86.03671	0.9
86.06086	0.8
86.99347	0.6
87.04475	0.8
88.96945	0.9
89.07181	0.8
91.02478	0.6
91.05498	0.7
92.05009	1.3
93.05830	1.9
94.06591	0.8
95.05000	1.1
95.06100	0.6
96.04513	1.2
96.06893	6.3
96.08139	5.4
97.01411	0.6
97.02885	3.6
97.07697	1.3
98.06065	3.1
98.97607	0.9
99.04493	1.4
100.00125	0.9
100.02497	8.2
100.04024	1.2
100.07643	1.0
101.00893	6.7
101.02554	0.6
102.00960	1.0
102.02260	0.9
103.02460	8.2
104.52710	0.8
105.00392	1.2
105.98121	1.5
106.06561	2.8
107.04961	1.2
107.50530	0.6
108.04390	0.5
109.02885	2.5
109.07654	4.6
110.03179	0.6
110.06066	3.3
110.07202	1.5
110.99290	1.1
111.00809	0.6
111.04449	2.2
112.04892	0.5
112.07646	2.4
113.00924	1.3
113.53220	1.3
114.05544	1.8
115.02459	1.6
117.04059	1.1
118.01096	0.9
118.03565	3.6
119.01933	15.8
119.04906	0.6
120.02026	2.3
120.54012	1.2
121.01682	1.1
121.03484	3.3
122.53689	0.8
123.06855	0.7
123.99144	3.6
124.02503	1.1
124.03970	1.0
124.07620	12.2
124.08726	6.0
124.11235	1.2
125.07139	1.0
126.03993	1.2
126.10283	1.3
127.03941	1.4
127.15973	0.5
128.01903	1.2
128.05663	1.1
128.07092	2.7
128.95110	5.9
128.98627	1.1
129.00333	4.2
129.02075	0.5
129.04022	3.2
129.54533	1.0
130.08633	0.6
131.01913	4.0
131.52615	2.2
132.02040	0.6
133.01645	0.6
133.03493	2.0
134.06030	70.8
135.06410	1.3
135.54538	0.7
136.06223	1.3
137.02328	2.2
137.03152	1.1
137.05952	1.1
138.55048	1.4
139.00392	1.0
139.03883	2.6
140.03374	0.8
140.05566	2.3
141.02760	1.3
142.00217	0.9
142.03493	2.9
142.04958	1.2
142.05911	0.8
142.08647	4.0
142.12280	1.4
143.01891	0.7
144.05070	6.8
144.54994	1.1
145.03493	2.7
145.05258	0.8
146.03015	1.9
146.03831	0.7
146.96147	2.9
146.97417	1.5
146.99524	1.1
147.01485	12.5
147.03233	4.3
147.05038	16.0
147.96629	0.8
152.00197	1.1
152.02017	2.4
152.07079	100.0
153.03964	0.5
153.07430	1.9
154.03491	0.7
155.03438	1.4
156.03482	0.6
156.05293	0.4
157.01457	0.6
157.03487	0.8
158.06641	20.8
158.51421	0.5
158.54776	2.2
159.04970	0.7
159.06850	0.7
161.01247	0.5
161.03015	0.7
162.06145	6.0
165.01697	1.3
165.02637	0.9
165.04117	0.9
165.06158	3.3
167.51881	1.1
167.55338	0.7
170.03020	10.9
170.04526	1.0
170.05269	0.6
170.06648	10.4
170.08139	20.9
170.09512	6.0
170.11641	3.9
171.01399	0.8
171.03018	0.8
171.05017	2.6
172.04628	1.7
173.02930	1.0
174.04491	0.7
176.07692	12.2
176.52377	0.6
179.03430	1.5
188.04184	0.5
188.06000	0.9
188.07689	15.9
189.06099	2.7
189.07680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
53.78237	0.4
55.01878	2.3
55.05520	2.6
55.93539	2.3
56.05046	1.6
56.65002	0.5
56.96568	6.4
57.03446	3.4
58.99869	1.1
60.45538	0.4
65.03951	0.9
67.05527	1.4
68.05045	2.1
68.98309	0.8
68.99805	0.5
69.03437	4.9
69.07085	1.2
70.06596	2.8
70.34901	1.6
70.94266	1.5
70.95876	0.9
70.99857	0.7
71.05023	1.7
72.04532	0.9
72.08170	0.8
72.93806	0.7
73.02944	1.8
74.06111	0.5
77.00930	0.9
78.53783	0.5
79.05503	3.0
80.05024	1.1
81.03417	3.4
81.05827	0.7
81.07081	2.1
82.01450	4.1
82.02978	0.5
82.06577	4.9
82.99879	0.6
83.01360	0.6
83.05002	1.0
83.06116	1.6
83.08669	0.6
84.04523	3.6
84.08167	1.4
84.94908	0.6
85.01432	3.7
85.02892	3.0
86.03671	0.9
86.06086	0.8
86.99347	0.6
87.04475	0.8
88.96945	0.9
89.07181	0.8
91.02478	0.6
91.05498	0.7
92.05009	1.3
93.05830	1.9
94.06591	0.8
95.05000	1.1
95.06100	0.6
96.04513	1.2
96.06893	6.3
96.08139	5.4
97.01411	0.6
97.02885	3.6
97.07697	1.3
98.06065	3.1
98.97607	0.9
99.04493	1.4
100.00125	0.9
100.02497	8.2
100.04024	1.2
100.07643	1.0
101.00893	6.7
101.02554	0.6
102.00960	1.0
102.02260	0.9
103.02460	8.2
104.52710	0.8
105.00392	1.2
105.98121	1.5
106.06561	2.8
107.04961	1.2
107.50530	0.6
108.04390	0.5
109.02885	2.5
109.07654	4.6
110.03179	0.6
110.06066	3.3
110.07202	1.5
110.99290	1.1
111.00809	0.6
111.04449	2.2
112.04892	0.5
112.07646	2.4
113.00924	1.3
113.53220	1.3
114.05544	1.8
115.02459	1.6
117.04059	1.1
118.01096	0.9
118.03565	3.6
119.01933	15.8
119.04906	0.6
120.02026	2.3
120.54012	1.2
121.01682	1.1
121.03484	3.3
122.53689	0.8
123.06855	0.7
123.99144	3.6
124.02503	1.1
124.03970	1.0
124.07620	12.2
124.08726	6.0
124.11235	1.2
125.07139	1.0
126.03993	1.2
126.10283	1.3
127.03941	1.4
127.15973	0.5
128.01903	1.2
128.05663	1.1
128.07092	2.7
128.95110	5.9
128.98627	1.1
129.00333	4.2
129.02075	0.5
129.04022	3.2
129.54533	1.0
130.08633	0.6
131.01913	4.0
131.52615	2.2
132.02040	0.6
133.01645	0.6
133.03493	2.0
134.06030	70.8
135.06410	1.3
135.54538	0.7
136.06223	1.3
137.02328	2.2
137.03152	1.1
137.05952	1.1
138.55048	1.4
139.00392	1.0
139.03883	2.6
140.03374	0.8
140.05566	2.3
141.02760	1.3
142.00217	0.9
142.03493	2.9
142.04958	1.2
142.05911	0.8
142.08647	4.0
142.12280	1.4
143.01891	0.7
144.05070	6.8
144.54994	1.1
145.03493	2.7
145.05258	0.8
146.03015	1.9
146.03831	0.7
146.96147	2.9
146.97417	1.5
146.99524	1.1
147.01485	12.5
147.03233	4.3
147.05038	16.0
147.96629	0.8
152.00197	1.1
152.02017	2.4
152.07079	100.0
153.03964	0.5
153.07430	1.9
154.03491	0.7
155.03438	1.4
156.03482	0.6
156.05293	0.4
157.01457	0.6
157.03487	0.8
158.06641	20.8
158.51421	0.5
158.54776	2.2
159.04970	0.7
159.06850	0.7
161.01247	0.5
161.03015	0.7
162.06145	6.0
165.01697	1.3
165.02637	0.9
165.04117	0.9
165.06158	3.3
167.51881	1.1
167.55338	0.7
170.03020	10.9
170.04526	1.0
170.05269	0.6
170.06648	10.4
170.08139	20.9
170.09512	6.0
170.11641	3.9
171.01399	0.8
171.03018	0.8
171.05017	2.6
172.04628	1.7
173.02930	1.0
174.04491	0.7
176.07692	12.2
176.52377	0.6
179.03430	1.5
188.04184	0.5
188.06000	0.9
188.07689	15.9
189.06099	2.7
189.07680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05501	0.5
55.32352	0.4
55.93523	1.0
56.05025	0.7
56.96564	1.6
58.06600	0.5
60.86889	0.4
65.03948	0.7
67.05505	1.1
68.05029	1.2
69.07059	0.9
70.06599	1.3
70.94248	0.9
71.05009	0.6
71.35242	0.4
71.50224	0.8
72.04517	1.1
79.05505	1.4
81.03428	0.6
81.07049	0.6
82.06566	1.4
84.04516	1.1
85.02899	0.8
86.06071	0.6
89.03941	0.5
89.29759	0.5
91.05541	0.4
92.05012	1.1
93.05800	1.3
96.08131	2.6
106.06562	0.8
107.01299	0.6
109.02891	1.2
110.06055	2.5
111.04490	1.2
112.04823	0.6
115.05468	46.7
116.05051	0.6
116.05801	1.0
124.07615	4.4
125.02376	0.7
127.03900	1.0
128.07089	1.1
128.95096	3.0
134.06004	1.4
134.70140	0.5
139.03897	0.5
140.04968	1.1
141.05685	0.5
141.60907	0.4
142.06551	29.7
142.08514	2.5
142.12317	1.0
143.06900	0.9
143.08626	0.6
146.96182	1.9
146.97325	0.6
152.04277	0.5
152.07103	2.3
152.10701	0.6
153.01840	1.1
160.07590	1.3
170.06032	100.0
170.08249	6.6
170.09676	6.2
170.11838	1.9
171.06445	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	169.0497
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
53.03962	1.7
55.01881	1.7
55.05509	1.7
57.03435	0.6
65.03944	98.8
66.04282	1.4
67.05504	4.7
68.02650	0.8
68.99793	2.9
69.03442	1.8
69.07085	0.9
69.39845	4.8
70.06580	0.9
71.04994	1.3
79.05515	1.5
81.03427	7.0
81.07069	4.3
81.24388	0.6
83.04999	2.9
84.08141	1.3
84.66579	0.7
85.02920	2.4
85.06575	0.9
85.94621	1.0
86.63651	0.6
93.03411	72.0
93.07067	0.9
94.03752	1.0
95.04971	3.1
95.08592	2.9
96.05637	0.8
97.02930	0.7
97.06510	1.4
98.03682	1.4
99.04485	1.2
107.04953	1.1
108.02082	1.8
109.02894	11.3
109.06506	2.3
109.10151	2.8
110.03674	15.3
110.06042	0.6
110.07157	5.5
111.00812	6.8
111.04449	100.0
111.07967	7.2
112.04782	1.3
113.01733	5.9
123.04411	4.2
123.08060	2.3
123.11671	1.3
124.05200	1.1
124.07597	1.3
125.05998	33.9
126.03146	14.2
127.03886	2.3
133.10094	0.6
134.05984	2.6
137.02321	0.8
137.05823	0.7
141.05470	31.2
141.07010	1.5
142.04373	0.7
151.03922	26.4
151.05048	2.7
151.11240	0.8
154.02547	1.7
155.03477	1.3
168.62753	1.5
169.04996	23.2
169.07539	6.9
169.09804	1.2
169.12195	0.9
170.05602	1.9
170.08109	1.0
170.09544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	Orsellinate
Peak:m/z	Relative Intensity
53.03957	1.3
55.01882	1.7
55.05518	5.3
55.93549	0.7
57.03442	11.6
57.98896	0.6
59.05009	0.9
65.03946	4.0
67.05513	5.1
68.05040	0.5
68.99799	25.0
69.00179	1.3
69.03431	1.6
69.07077	1.0
69.28359	0.5
70.06576	0.9
71.05001	2.0
71.50257	0.5
71.50674	0.9
79.05498	2.6
81.03427	20.7
81.07069	4.3
83.04990	97.2
84.05340	1.5
85.02914	100.0
86.03234	0.8
93.03421	2.3
93.07057	0.6
95.04988	6.8
95.08620	4.0
97.06519	0.6
98.03690	0.6
98.05968	0.6
99.04493	3.2
99.08131	0.6
105.07022	0.9
106.34045	0.6
107.08573	1.0
108.85733	0.5
109.02894	16.7
109.06518	3.6
109.10169	2.2
111.00842	3.5
111.04439	4.5
115.05471	1.0
123.04443	19.4
123.08104	3.0
123.11713	1.2
123.87655	0.6
124.04806	0.6
124.07643	1.2
125.06033	2.5
125.09656	0.7
126.03169	4.5
127.03926	10.8
134.05933	0.6
139.03864	0.6
141.05495	12.5
141.07072	1.2
141.09183	0.9
147.10112	0.7
151.03925	48.2
151.11189	1.3
152.07074	1.1
154.02650	0.8
154.05852	1.2
163.97748	1.1
169.04994	37.7
169.07512	8.6
169.09966	1.5
170.08170	1.6
170.09564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03936	0.9
55.01871	1.9
55.05502	1.0
57.03418	1.1
58.13681	0.7
59.10584	0.8
65.03944	4.1
67.01858	3.9
67.05502	6.2
68.99800	3.6
69.03407	1.0
69.07080	1.7
71.04989	3.4
79.05492	2.1
81.03425	4.0
81.07065	10.0
83.04971	2.6
85.02898	3.3
90.08833	0.7
91.05459	0.9
93.03397	3.1
93.07081	0.8
95.04964	8.0
95.08614	1.2
97.02860	0.8
97.06513	1.0
99.08062	0.8
105.07049	1.9
107.08577	1.5
109.02885	7.7
109.06513	2.4
109.10146	2.9
111.00807	5.6
111.04427	4.0
111.08096	0.9
114.71436	0.8
123.04435	41.6
123.08128	0.8
123.11723	4.5
123.73182	0.8
124.07593	1.4
125.05994	1.5
125.09686	0.8
126.03142	8.3
127.03924	9.8
141.05476	22.4
151.03909	54.6
151.11214	1.2
154.02589	1.8
169.04974	100.0
169.07581	6.4
170.05231	2.1
170.08107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
54.49070	0.4
55.01859	1.9
55.05499	0.8
62.73792	0.4
65.03947	3.7
67.01870	4.9
67.05506	6.1
68.99800	2.8
69.07061	1.0
69.85957	2.2
71.04984	1.1
79.05475	0.9
81.03429	2.0
81.07062	3.0
83.04983	1.4
85.02897	1.2
85.06529	0.4
85.94608	0.6
93.03387	2.0
95.04977	7.4
95.08614	2.0
98.27075	0.4
98.43074	0.4
99.04433	0.8
107.08620	0.8
109.02866	3.0
109.06509	2.5
109.10152	2.0
111.00804	1.3
111.04430	2.4
111.08062	1.5
113.06010	0.5
113.16406	0.4
123.04433	38.7
123.08062	1.2
123.11703	2.2
124.04695	0.8
125.06010	1.0
126.03102	1.9
127.03913	11.5
141.05475	6.3
141.06650	0.5
141.06952	0.4
151.03908	55.3
151.11194	0.6
152.04289	1.0
152.07056	0.5
154.07773	0.8
169.04968	100.0
169.07536	3.3
169.10027	1.5
170.05301	2.4
170.08115	1.0
170.09499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0657
Annotation	Orthoform
Peak:m/z	Relative Intensity
53.04030	0.6
56.96655	0.5
63.83819	0.2
67.92213	0.4
67.92608	1.0
68.05099	0.3
69.03516	0.2
69.77966	1.2
69.98311	0.2
71.05076	0.2
77.30317	0.2
79.05614	0.3
80.05034	1.5
81.03515	0.6
82.94943	1.7
92.04493	0.6
92.05013	10.7
94.06670	0.4
95.01395	0.5
95.05033	0.3
97.09252	0.2
100.02554	0.4
101.00929	0.4
103.00725	0.7
103.98394	0.7
104.01031	0.3
108.04493	4.2
109.02937	0.4
118.03599	0.3
119.01959	0.4
121.01640	1.1
121.99390	0.6
122.02103	0.3
122.06102	0.4
123.04524	0.3
123.97528	0.7
126.05569	0.3
126.93826	0.9
127.02475	0.4
136.03947	14.9
137.04301	0.4
140.07129	0.3
141.05466	0.4
144.03281	0.4
144.94893	1.1
144.95854	0.4
144.99976	0.3
145.00865	1.1
145.03516	2.7
147.02980	0.5
150.05495	0.6
154.05005	100.0
155.05368	1.8
156.03384	3.9
156.53571	0.4
157.03354	0.4
162.95885	1.2
163.04561	0.6
165.03972	1.0
167.96460	0.3
168.05109	0.9
168.06551	11.0
168.10181	0.5
174.04430	1.2
185.57745	0.2
186.04358	0.5
186.06102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32246	1.8
53.00564	1.7
53.03938	4.0
55.01861	3.2
56.96574	3.8
57.03431	8.6
58.99865	4.2
65.02864	2.0
67.59811	1.9
67.92509	4.8
68.98306	3.4
69.03432	6.1
70.45229	3.9
70.45631	4.7
70.99865	3.7
71.05009	4.5
73.02916	4.7
77.00869	2.2
80.04993	2.7
81.03413	7.3
82.01442	6.5
82.06581	2.8
82.94860	11.0
82.99837	2.7
84.01180	2.5
84.99593	5.4
85.01431	2.6
85.02898	3.7
86.03672	2.0
86.99354	2.2
87.04446	1.8
94.02667	2.3
95.03467	2.2
96.00500	2.0
96.02392	1.9
97.01392	4.5
97.02895	2.7
99.04463	2.8
100.00127	2.0
100.02487	10.6
101.00894	25.7
102.00937	4.7
102.02341	5.8
103.00650	45.3
103.01285	2.8
103.02387	2.3
104.00928	17.2
107.02579	2.0
107.03322	1.9
107.04995	2.5
108.04468	3.0
109.02872	4.2
111.02976	3.4
113.00885	25.3
114.01005	6.0
115.00646	2.9
115.02454	10.6
117.02160	4.5
117.02961	2.8
118.03554	4.4
119.01926	31.1
119.03699	2.3
120.02026	7.6
121.01680	76.6
121.02396	3.0
121.99339	2.6
122.01989	38.0
122.06026	3.1
123.97430	5.4
126.02218	4.6
126.93781	4.2
126.98796	3.4
127.02486	20.2
131.01926	57.4
132.01999	9.8
133.03459	11.3
136.02460	4.3
136.03949	3.6
137.02951	3.9
139.02692	16.0
140.03062	5.8
141.05496	3.2
142.03511	3.0
142.31079	2.2
143.01918	2.5
144.03244	23.2
144.05003	3.4
144.94798	4.4
144.99826	4.8
145.01688	3.4
145.03537	100.0
146.03566	2.7
149.02965	6.2
150.05492	7.2
154.03497	11.0
154.04987	13.9
155.01906	3.1
157.03407	3.7
158.03629	3.3
161.02968	3.6
162.04327	6.0
162.95877	3.2
163.00870	2.3
163.02773	9.4
163.04631	14.8
168.05089	12.9
168.06570	6.5
168.10188	3.9
173.02893	3.2
186.06140	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.7
52.03159	0.7
53.03938	2.4
55.01871	1.0
55.05515	7.5
56.96527	0.6
57.03422	2.4
57.07076	0.8
59.04992	1.0
65.03913	1.9
66.04713	1.2
67.01883	0.6
67.05505	8.5
67.06091	0.5
69.03413	1.7
69.06782	0.5
69.07071	5.7
69.28056	0.5
70.06581	1.9
71.05000	6.2
71.16039	0.6
71.16399	0.8
73.06552	4.5
77.03917	1.0
78.04275	1.0
78.04713	18.5
79.05079	1.1
79.05495	11.5
81.03400	1.6
81.05384	0.6
81.07054	11.8
83.04980	5.6
83.08621	3.2
84.96036	0.6
85.02866	0.7
85.42805	0.6
91.05484	4.4
93.03385	1.0
93.06477	1.0
93.07049	14.0
94.04169	1.0
95.04980	4.1
95.08616	19.1
96.05728	1.6
97.06525	2.1
105.03389	1.4
105.04491	1.1
105.07027	2.6
106.04179	8.8
107.04966	5.0
107.08599	16.5
109.02873	2.2
109.06513	2.5
109.10179	4.6
111.04442	1.4
111.08095	2.3
118.06548	1.2
119.06076	0.6
121.01679	1.1
121.02876	2.1
121.06496	1.4
121.08450	0.7
121.10152	8.7
122.03629	1.8
123.04437	29.7
123.08068	1.1
123.11720	2.8
124.05238	7.9
125.05983	1.2
125.09598	1.6
131.08524	0.7
132.08115	1.1
134.03622	1.6
135.04413	0.9
136.04779	0.7
137.05978	1.5
139.03906	5.8
139.07600	1.5
140.07050	0.7
143.96725	1.0
144.03264	1.2
146.09608	0.6
149.02348	2.4
149.06001	0.8
149.09648	1.9
149.13303	3.7
150.09140	1.8
151.03902	6.8
152.04695	6.9
157.54352	0.6
167.03419	3.5
167.07043	100.0
167.10687	1.7
167.11827	4.1
167.14259	3.7
168.07384	2.4
168.08784	0.7
168.10213	1.2
172.61298	0.6
176.14369	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	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
55.01867	2.3
55.05310	0.7
55.05516	8.1
56.96555	0.8
57.03440	5.0
57.07079	1.6
57.85966	0.6
59.05007	1.6
65.03941	2.8
66.04708	0.8
67.05180	0.9
67.05511	12.9
69.03438	3.4
69.07074	9.7
69.77371	3.2
70.06587	3.3
71.05001	8.8
73.06573	5.6
77.03944	0.7
78.04276	1.0
78.04722	18.9
79.05151	0.7
79.05499	17.2
80.05029	1.4
81.03405	1.9
81.07065	17.0
83.04979	6.2
83.08618	3.7
84.96009	1.3
85.02906	0.8
85.06551	1.6
87.07995	1.1
91.05481	7.2
93.03429	1.4
93.07050	19.9
94.06569	0.9
95.04982	7.4
95.08616	33.1
96.05763	0.8
96.08925	1.2
97.02876	1.0
97.06542	3.9
97.10184	0.7
98.98488	1.1
103.00616	1.1
103.05470	1.1
105.03374	1.8
105.04509	1.3
105.07065	4.0
105.33496	0.7
106.04192	7.8
107.04974	5.4
107.06091	6.3
107.08602	24.6
107.09312	1.5
109.02882	2.2
109.06547	3.4
109.10159	8.0
111.04449	2.1
111.08083	4.3
117.05782	0.8
118.06566	1.8
119.08651	0.6
121.01653	3.0
121.02864	2.7
121.06525	2.6
121.08430	1.7
121.10150	13.5
121.99421	0.7
122.03660	2.4
122.06026	1.0
122.09656	1.0
123.04443	30.2
123.08064	5.9
123.11720	3.3
124.05251	9.8
125.05978	2.5
125.09642	4.0
126.05538	1.3
131.08560	1.2
132.08104	1.0
134.03629	1.4
135.04439	2.1
135.05550	6.2
137.05946	1.7
137.07877	1.3
138.05531	0.7
138.07898	0.9
139.03990	1.5
139.04958	0.7
139.07578	1.6
139.11220	1.5
140.07103	1.2
143.96756	1.0
144.03276	2.0
146.09636	1.3
149.02396	3.5
149.05972	1.6
149.09648	3.6
149.13284	5.7
150.05495	0.9
150.09160	1.0
151.03920	7.1
152.04698	7.0
152.06093	1.3
153.07904	0.7
157.04970	0.8
165.06999	1.1
167.03404	7.5
167.07057	100.0
167.08591	3.8
167.10680	5.9
167.11848	6.1
167.14273	4.9
168.07489	1.3
168.10233	2.4
176.14426	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61821	0.5
52.03156	0.5
53.03953	3.1
53.28212	0.4
55.01871	2.9
55.05272	0.8
55.05515	10.1
57.03431	2.4
57.07080	0.7
59.04996	1.2
65.03957	2.3
66.04713	0.7
67.05507	8.2
69.03415	1.9
69.07071	7.3
70.06591	3.1
71.04993	3.3
73.06501	1.5
76.81652	0.5
77.03913	0.5
78.04710	15.6
79.05495	13.9
80.05017	0.8
81.03410	1.4
81.07059	10.9
83.04986	6.8
83.08621	5.3
83.28925	0.4
84.96019	1.3
85.02877	0.5
85.06542	1.3
90.04400	0.5
91.05484	4.6
93.03404	1.3
93.07048	15.0
94.04181	0.8
94.07364	0.5
95.04976	4.1
95.08057	0.8
95.08614	10.0
95.09183	0.3
96.05735	1.4
97.02885	0.8
97.06535	4.5
97.10162	0.5
103.00620	0.6
103.05436	0.8
105.03363	2.0
105.04498	1.4
105.07019	2.5
106.04184	6.2
107.04959	4.6
107.08591	13.7
108.04398	0.6
109.02889	2.7
109.06488	2.4
109.10162	4.5
110.03749	0.5
111.04455	2.2
111.08078	3.3
112.12131	0.5
118.06532	1.8
121.01690	2.5
121.02861	1.9
121.06528	2.6
121.08406	0.5
121.09328	0.9
121.10143	10.1
122.03645	1.6
122.06049	0.6
123.04437	29.6
123.08084	2.3
123.11713	2.3
124.05229	7.7
125.02394	0.6
125.05984	1.3
125.09605	2.2
126.05514	0.7
131.08536	0.8
132.08069	1.1
134.03606	1.3
135.04379	1.0
137.02310	0.6
137.06004	0.8
137.07893	0.7
137.26016	0.5
138.07932	0.7
139.02896	0.9
139.03906	5.7
139.07539	1.8
139.11180	0.8
143.96629	0.5
144.03244	1.0
149.02342	3.0
149.06004	1.8
149.09634	2.3
149.13257	5.2
151.03900	5.6
152.04697	5.8
157.04948	0.9
167.03421	7.2
167.07042	100.0
167.10669	3.4
167.11826	5.9
167.14273	4.8
167.61955	0.7
168.07402	2.0
168.10210	0.7
176.14346	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01867	2.3
55.05514	93.4
57.02949	1.2
57.03428	2.5
57.07069	3.3
59.05011	10.1
65.03925	2.8
67.05511	18.5
69.03432	27.0
69.07072	12.9
71.04993	2.6
71.30595	2.4
72.48706	1.0
78.04327	1.0
78.04700	5.2
79.05119	1.1
79.05502	9.6
81.07062	13.9
83.04984	100.0
83.08621	37.8
84.05314	1.9
85.06544	9.2
91.05485	6.9
92.05819	1.2
93.07046	10.1
95.04970	3.8
95.08610	7.8
97.06534	5.3
97.10184	11.1
99.08064	1.3
105.07024	3.9
106.04176	2.6
107.04953	1.3
107.08599	18.9
109.06559	2.1
109.10162	21.5
111.04469	1.8
111.08088	26.5
112.08889	9.0
113.09639	4.3
119.04913	1.3
120.74040	1.3
121.01683	1.5
121.02048	1.3
121.02862	9.7
121.06522	2.4
121.10143	14.8
122.06052	1.2
123.04437	9.1
123.11734	10.2
124.05201	3.2
125.09624	15.7
126.06677	1.0
139.03899	1.3
139.07549	1.9
139.11147	1.2
144.03265	1.8
149.02406	2.5
149.04929	2.4
149.05978	2.5
149.09593	1.8
149.13275	5.2
152.04712	2.2
167.03375	2.1
167.07042	30.3
167.10672	2.6
167.14331	37.6
168.10291	1.1
178.58253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03929	4.0
55.05513	90.6
57.03428	2.2
57.07074	4.3
59.05009	7.8
67.05507	13.6
69.03435	22.5
69.07056	6.6
70.84377	4.4
71.04979	3.9
78.04716	2.3
79.05491	5.6
81.07065	11.5
83.04981	100.0
83.08618	43.5
83.08992	1.0
83.09116	1.6
85.06550	9.0
90.55241	1.5
91.05451	5.9
93.07041	7.5
95.05003	2.2
95.08597	6.5
97.06526	4.8
97.10169	11.8
99.08055	3.3
100.81214	1.6
105.07027	2.2
107.08585	12.8
109.10152	19.3
110.52838	1.5
111.08086	28.6
112.08875	8.4
113.09656	3.9
114.37416	1.7
121.10146	12.3
123.04417	7.4
123.07939	1.7
123.11688	7.4
125.09615	14.3
149.02318	1.6
149.13251	4.0
152.04620	2.0
167.07050	24.2
167.10661	1.8
167.14325	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03951	3.6
55.01872	2.0
55.05513	12.4
57.03444	0.6
57.07072	2.2
59.04998	3.1
65.03957	0.9
67.05508	6.2
69.03430	3.4
69.07072	45.2
70.03140	1.3
70.03531	0.9
70.06607	0.6
77.03917	1.1
78.04715	7.4
79.05497	21.3
79.14575	0.6
81.03423	0.9
81.07064	12.9
83.04985	3.3
83.08630	3.0
91.05486	14.5
93.03385	0.7
93.07048	81.6
94.07380	1.2
95.04998	3.8
95.08614	12.9
97.06540	5.5
97.10180	1.8
103.05483	1.7
105.04520	1.2
105.07034	22.1
106.04181	3.5
106.07832	1.6
107.04958	2.6
107.08591	4.3
109.02902	0.7
109.06508	1.4
109.10142	1.4
111.04460	1.0
111.08091	0.9
111.11726	7.2
119.08579	4.8
121.01669	1.4
121.02892	1.0
121.06557	1.3
121.10150	100.0
122.05944	0.6
122.10488	1.6
123.04434	12.3
123.08067	5.0
124.05226	3.9
131.08559	1.0
133.07608	3.1
134.03615	0.8
139.02786	0.6
139.03917	1.0
139.07587	0.8
139.11154	3.2
140.07178	0.6
144.03285	0.8
144.54155	0.5
146.27345	0.6
149.02370	2.2
149.09625	10.8
151.03938	3.1
152.04691	2.6
164.57021	0.6
167.03409	2.3
167.07054	46.4
167.10674	30.2
167.14322	0.9
168.11110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03157	0.6
53.03949	2.0
55.01868	1.0
55.05518	4.7
57.03430	0.9
57.07058	0.5
58.81757	0.3
65.03932	1.1
66.04713	0.7
67.05509	2.7
68.99804	0.5
69.03429	1.3
69.07051	1.3
69.47948	0.4
70.06598	0.9
70.63370	1.2
71.04981	0.4
77.03911	0.6
78.04719	16.6
79.05067	0.8
79.05496	6.8
81.03405	1.6
81.07065	3.7
83.04987	5.2
83.08631	1.9
85.02885	0.5
85.06534	0.4
85.14996	0.3
91.05462	2.1
93.03381	0.8
93.07037	3.0
94.04178	1.1
94.71046	0.4
94.88026	0.4
95.04973	3.1
95.08599	1.7
96.05742	0.8
97.02873	0.5
97.06533	1.0
103.00638	0.9
105.03368	1.2
105.04498	0.5
105.07039	1.1
106.04188	7.4
107.04974	4.5
107.08598	3.7
109.02879	1.6
109.06515	1.2
109.10147	1.0
111.04443	0.6
111.08138	1.8
117.05795	0.5
118.06551	1.3
120.02050	0.6
121.01662	0.9
121.02869	1.1
121.06510	1.2
121.10138	3.3
122.03627	1.8
123.04438	28.1
123.08063	0.6
123.11694	1.0
124.05222	7.7
125.06023	0.7
125.09619	1.2
126.05527	0.4
132.08060	1.1
134.03647	1.5
135.04405	0.9
137.05980	1.1
139.03912	1.3
139.07573	0.5
144.03297	0.5
146.09586	0.5
149.02353	1.7
149.09726	0.9
149.13271	1.1
150.03154	0.5
151.02777	0.6
151.03922	5.4
151.05876	0.4
152.04700	6.4
155.73120	0.4
160.11267	0.4
167.03377	3.2
167.07053	100.0
167.11786	2.7
167.14258	2.1
168.04099	0.6
168.07466	2.0
176.14374	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01588	0.4
51.02376	0.6
51.49325	0.3
52.03148	0.4
52.94197	0.3
53.03951	3.2
53.25489	0.3
55.01867	1.0
55.05508	1.6
65.03936	1.6
66.04730	1.5
67.05505	1.7
67.08810	0.4
68.99795	0.4
69.03429	0.8
69.07056	1.1
70.06567	0.4
71.04964	0.4
76.79662	0.3
77.03935	1.1
78.04717	18.5
79.05500	17.1
80.05858	0.5
81.03429	1.2
81.07069	3.5
83.04982	1.8
83.08614	0.6
86.72385	0.4
87.36182	0.3
91.05490	2.8
92.05803	0.3
93.03405	1.0
93.07053	3.8
94.04196	2.3
95.04981	4.0
95.08605	1.0
96.05753	1.5
97.02899	0.4
97.06544	0.6
103.00639	0.5
103.05485	0.4
105.03423	1.7
105.04552	1.6
105.07032	1.5
106.04185	7.4
107.04965	15.9
107.08596	4.2
108.10303	0.3
109.02861	1.9
109.06531	1.5
110.03661	0.4
111.04437	1.3
111.08058	0.9
120.02020	0.5
120.08094	0.3
121.01662	1.3
121.02901	1.7
121.06513	1.4
121.08430	0.5
121.10149	3.3
122.03657	2.9
123.04439	29.5
123.08032	0.6
124.05229	10.6
125.06025	1.6
131.08554	0.3
134.03625	1.9
135.04379	1.0
137.02377	0.7
137.05969	1.9
138.03165	0.5
139.03951	1.9
139.07556	0.8
141.20438	0.3
144.03290	0.5
146.09634	0.5
149.02361	1.9
149.05978	0.7
149.09633	1.6
151.03906	6.0
152.04703	8.7
167.03410	2.7
167.07051	100.0
167.11807	1.4
168.04262	0.6
168.07452	2.2
176.14359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	6100-74-9
Peak:m/z	Relative Intensity
53.03939	2.0
55.01852	0.7
55.05519	5.0
62.88369	0.6
65.03920	0.9
67.05496	1.9
68.00752	0.8
69.03429	1.6
69.07075	0.9
69.38676	0.6
70.63908	1.1
70.64266	1.5
71.17193	0.6
73.02917	0.6
77.03915	1.1
78.04715	11.8
79.05493	8.4
81.07050	3.0
83.04993	5.0
83.08613	2.3
83.65591	0.5
89.39455	0.6
90.62424	0.6
91.05488	4.3
93.03406	1.4
93.07058	4.4
94.04176	0.9
95.04963	2.8
96.05753	1.0
97.06555	0.7
105.03391	1.2
105.04505	1.0
106.04176	6.2
107.04945	3.5
107.08634	3.0
109.02888	1.2
109.06527	1.2
109.10133	1.6
111.08046	0.9
121.02850	4.8
121.05693	0.6
121.06503	4.4
121.10129	1.9
122.03654	1.5
122.06822	1.0
123.04437	22.5
124.05226	7.4
125.09624	0.9
134.03578	1.4
137.05995	1.2
149.04984	1.2
149.05975	4.7
149.09630	0.9
151.03915	4.3
152.04715	5.6
167.07043	100.0
167.14305	1.3
168.07426	1.5
168.10181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03932	1.2
55.01864	0.4
55.05507	0.8
63.47269	0.3
64.73018	0.4
65.03927	0.7
66.04715	0.8
67.05496	1.0
67.11372	0.3
68.99807	0.6
69.03408	0.4
70.62125	0.4
70.62463	0.9
73.02930	0.6
77.03913	0.9
77.79814	0.3
78.04717	15.8
79.05495	5.0
81.03419	0.6
81.07050	1.1
81.43385	0.4
83.04973	0.7
91.05473	1.1
93.03374	0.5
93.07037	1.5
94.04195	0.8
95.04980	2.9
95.08567	0.3
96.05745	0.9
96.93231	0.3
97.81599	0.3
105.03394	1.3
105.04521	0.6
106.04184	8.0
107.04995	3.5
107.08580	0.7
109.02886	1.4
109.06508	0.8
111.04453	0.5
111.08099	0.8
119.04932	0.6
120.02070	0.7
121.02881	12.7
121.06506	1.7
121.10159	1.2
121.34917	0.5
122.03653	1.7
123.04438	25.2
124.05230	6.7
131.08586	0.4
134.03647	1.3
135.04385	1.1
137.02321	0.6
137.05992	1.1
139.03918	0.6
139.09430	0.4
142.95792	0.4
144.03273	0.5
149.02330	0.6
149.04897	0.7
149.05969	3.4
150.03148	0.5
151.03894	4.6
152.04697	5.2
155.32719	0.4
167.07051	100.0
168.04211	0.9
168.07439	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03949	2.7
55.01868	1.8
55.05503	1.3
65.03941	1.4
65.86303	0.3
66.04716	0.4
67.05486	1.3
69.03422	1.1
69.07061	0.4
73.02910	0.9
77.03925	1.0
77.69733	0.3
78.04716	7.6
79.05499	12.5
81.03419	0.8
81.07059	2.4
83.04985	1.9
85.02941	0.3
91.05482	9.3
93.03389	0.8
93.06483	0.7
93.07048	11.9
94.04205	0.6
95.04971	2.9
95.08601	1.0
96.05786	0.7
97.06525	1.2
103.00648	0.7
103.05469	1.2
105.03388	0.6
105.04523	1.1
105.07040	0.8
106.04189	3.4
107.04963	3.6
107.08597	2.4
108.04513	0.4
109.02885	0.8
109.06517	1.0
111.04443	1.4
111.08069	0.8
119.04939	0.8
121.01668	0.8
121.02876	12.0
121.05672	0.5
121.06517	8.8
121.10159	1.9
122.03629	1.2
122.06063	0.4
122.06849	0.5
123.04433	16.3
123.08056	0.8
124.05240	4.0
125.05986	0.6
125.09619	0.7
126.06642	0.6
131.08542	0.4
134.03636	0.9
135.04402	1.1
137.05988	0.7
139.03896	0.6
139.07552	1.2
139.11143	0.5
140.07092	0.7
144.03232	0.6
149.02321	1.5
149.04942	0.5
149.05994	7.7
149.09641	0.9
151.03937	2.5
152.04716	3.3
165.05580	0.4
167.03444	1.9
167.07043	100.0
168.07521	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
57.73673	0.1
60.88057	0.2
70.66690	0.5
78.88173	0.2
79.05486	1.3
80.34410	0.2
80.94953	0.2
91.05479	0.6
93.07059	2.3
95.12450	0.1
102.00966	0.3
103.05471	10.2
104.05783	0.3
107.04967	2.4
119.01935	0.3
120.02052	0.6
120.08111	100.0
121.06514	0.3
121.08441	1.8
131.04929	2.3
135.18127	0.2
143.03625	0.5
149.06013	0.5
166.08636	1.6
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	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02398	0.2
53.03934	0.4
55.01883	0.3
55.05531	0.4
56.96583	0.4
65.03963	0.5
66.04738	0.2
67.05524	0.8
68.05042	0.4
68.99788	0.2
69.03439	0.8
69.07076	0.3
69.63574	0.5
69.63986	0.8
70.03771	0.2
70.06598	0.3
75.19974	0.2
77.03960	0.3
78.04711	1.9
78.05103	0.2
79.05498	2.4
80.05015	1.9
80.05343	0.2
80.05827	0.3
80.94984	0.3
81.03432	0.5
81.07071	0.8
82.06578	0.3
83.04992	0.6
83.93034	1.1
84.08134	0.2
87.04512	0.4
91.05475	1.9
92.04993	0.3
92.05827	0.7
93.03422	0.2
93.07044	3.5
94.06593	0.4
95.04984	0.9
95.06107	0.3
95.08603	0.4
96.04507	0.4
96.08936	0.3
97.02910	0.3
97.06560	0.2
101.94108	0.3
102.00988	0.2
102.94866	0.2
103.05467	11.6
104.05810	0.2
105.03428	0.4
105.07014	0.4
106.04180	0.7
106.06592	0.4
106.07373	0.5
107.04963	3.1
107.08607	0.7
108.04512	0.5
108.08226	0.3
109.02891	0.2
109.06582	0.3
110.06075	0.4
110.09722	0.4
111.04465	0.2
115.96430	0.3
116.28318	0.2
116.97220	0.6
118.06572	0.6
119.01951	0.3
119.04914	0.3
119.95134	0.5
120.02024	0.6
120.08106	100.0
121.01686	0.3
121.06516	3.0
121.07328	0.3
121.07639	0.2
121.08434	1.9
121.10143	0.7
122.06010	0.3
123.04439	3.2
123.08130	0.3
124.05208	1.0
128.97791	0.2
131.04910	2.1
136.07570	2.9
137.06003	0.6
138.03011	0.2
138.05496	1.3
138.09106	0.9
142.96695	3.0
143.03612	0.6
148.04808	2.5
148.07541	1.3
148.12027	0.2
149.02348	0.5
149.05983	1.0
149.09589	0.4
151.03889	0.9
152.04689	0.7
160.96025	0.2
163.26027	0.2
166.04893	2.0
166.08614	12.2
166.12189	0.6
167.03343	0.6
167.07036	12.9
167.11853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.54840	1.1
53.03943	2.9
55.01868	4.5
55.05517	8.3
56.96569	1.2
57.03436	6.2
57.07073	1.9
65.03939	4.1
67.05506	39.2
67.83091	1.1
68.61768	1.0
68.99787	1.9
69.03083	1.8
69.03429	21.7
69.07079	7.6
71.04989	3.2
71.51041	1.4
79.05495	30.3
80.05015	2.0
81.03408	3.7
81.07060	64.7
83.04981	9.7
83.08602	1.5
83.93079	1.5
85.06541	3.7
91.05486	62.0
92.05801	1.5
93.07047	33.4
95.04965	17.5
95.08608	25.8
97.06528	10.5
99.08095	1.8
101.00882	10.0
103.05469	3.0
105.07037	55.8
107.04984	1.5
107.08602	20.9
109.02853	1.6
109.06521	16.9
109.10146	10.6
119.01148	2.0
119.01942	23.5
119.04951	56.9
119.08591	46.2
120.08105	4.9
120.08878	1.2
121.06512	3.5
121.10148	40.5
123.04414	6.4
123.08075	12.6
123.11695	8.6
124.02444	1.8
127.07561	1.6
133.02832	3.6
133.06471	2.1
136.07571	3.4
136.08786	1.5
137.02988	6.1
137.05991	9.4
137.09612	10.5
137.13196	1.5
138.09177	1.4
141.05403	2.2
142.03499	15.9
142.96652	3.3
147.04419	100.0
147.08044	3.0
147.11690	55.7
148.04785	1.3
148.12018	3.2
160.04546	3.5
165.01805	2.6
165.05530	25.4
165.06760	1.5
165.09091	14.9
165.12764	70.6
166.04999	2.4
166.08623	7.5
166.13124	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1639
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
52.40660	0.6
53.03962	0.6
55.05521	5.8
57.07079	7.5
65.03945	1.3
65.48003	0.6
67.05508	41.6
68.57294	0.6
69.03425	4.4
69.07073	8.0
70.04428	0.8
70.04704	3.0
71.08620	2.9
79.05501	5.3
80.05042	0.6
81.03450	1.0
81.07061	37.4
83.04997	0.9
83.08611	3.2
85.10194	1.7
91.05489	9.4
93.07038	4.3
95.04958	1.9
95.08611	65.6
96.62159	0.6
97.10167	0.7
101.00875	2.0
101.20599	0.7
102.92900	0.6
105.07017	3.4
107.08592	3.9
109.06529	2.8
109.10162	100.0
110.10506	1.9
119.01936	5.0
119.04958	12.0
119.08582	2.8
120.08121	0.8
121.06541	1.1
121.10102	3.0
123.04432	0.9
123.08083	2.6
123.11716	28.9
124.02489	0.8
133.02864	2.8
137.06004	3.7
137.09602	2.3
137.13242	1.4
142.03532	3.4
147.04411	23.3
147.08031	1.1
147.11687	1.4
148.04793	1.0
149.09587	0.9
150.10374	5.5
160.04549	0.6
160.45053	0.6
165.01859	1.2
165.04297	1.1
165.05571	5.4
165.09117	2.1
165.12762	28.6
165.14166	1.4
165.16406	12.9
166.08638	2.0
169.09557	0.7
182.06117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74187	0.5
53.03953	2.1
55.01876	3.3
55.05516	7.9
57.03443	5.9
57.07077	1.2
65.03951	1.0
67.05508	36.5
69.03438	5.9
69.07076	7.5
69.82621	3.3
71.04996	2.8
79.05498	33.5
81.03411	1.0
81.07063	74.7
82.07394	1.3
83.04985	8.4
83.05453	0.6
83.08643	1.8
85.06550	6.3
91.05486	40.9
93.07050	37.5
95.04979	6.8
95.08611	20.4
97.06536	8.4
99.08090	1.5
101.00884	1.1
103.05447	0.8
105.04507	1.4
105.07039	68.3
106.07323	1.1
107.08602	23.1
109.06535	11.7
109.10162	4.8
117.07042	1.3
119.01948	1.7
119.04961	5.8
119.08588	55.0
119.80073	0.6
120.08140	1.1
120.08933	1.3
121.10150	61.5
122.07328	0.8
122.10529	1.5
123.08089	9.4
123.11732	10.3
137.05981	1.2
137.09618	4.7
137.13274	1.3
142.03519	1.2
145.10147	1.7
147.04428	10.9
147.11696	100.0
148.12032	2.6
165.05554	1.4
165.09117	4.3
165.12764	84.6
166.08647	1.1
166.13130	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	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03950	1.9
55.01883	3.8
55.05518	7.3
57.03439	6.1
57.07077	1.2
65.03950	2.6
67.05510	38.0
69.03446	5.8
69.07071	7.0
70.20869	1.8
71.04998	2.2
79.05498	33.0
80.05834	0.9
81.03432	1.2
81.07062	78.6
82.07404	1.1
83.04990	9.0
83.08632	1.5
85.06558	5.1
91.05487	42.7
93.07051	38.7
94.07370	1.1
95.04970	7.1
95.08614	21.2
97.06540	9.9
98.06847	0.7
99.08092	1.5
101.00906	1.4
103.05465	0.8
105.07039	68.3
106.07369	1.1
107.08600	25.6
108.08925	0.6
109.06530	14.6
109.10162	4.1
113.81978	0.5
117.07030	1.9
119.01925	1.7
119.04942	5.7
119.08592	56.1
120.08142	0.8
120.08925	1.3
121.10152	61.0
122.10494	1.3
123.08087	9.1
123.11724	8.7
135.48982	0.6
136.08929	0.6
137.09624	5.0
137.13264	2.8
142.03522	1.4
145.10129	1.6
147.04434	10.3
147.11697	100.0
148.12035	3.2
165.05486	1.1
165.09088	3.2
165.12764	89.5
166.08629	1.2
166.13097	2.2
172.02051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01865	4.3
55.05514	10.7
56.51306	0.9
57.03442	10.6
57.07077	2.9
59.43302	1.0
60.61731	1.1
65.03931	4.9
67.05508	52.2
69.03435	11.2
69.07072	14.1
71.04980	3.4
71.06107	2.5
77.03922	1.4
78.37802	1.1
79.05499	51.2
80.05035	2.2
81.03416	3.1
81.07063	100.0
82.06551	1.2
83.04987	11.5
83.08617	2.5
83.93037	1.2
85.06541	7.1
85.58372	1.2
91.05486	69.3
93.07050	43.1
95.04977	14.5
95.08617	31.5
95.31053	1.1
97.06532	13.5
99.08086	2.5
101.00875	7.3
103.05488	2.4
105.04520	2.4
105.07035	75.6
106.07362	1.4
107.04930	1.3
107.08597	27.5
109.06528	22.5
109.10158	9.5
117.07001	2.7
119.01936	15.6
119.04961	34.9
119.08586	63.3
120.08089	3.4
120.08945	1.7
121.06478	1.9
121.10152	60.6
122.07298	2.6
122.10464	1.8
123.04436	4.6
123.08089	11.6
123.11710	9.8
133.02843	2.2
133.06500	3.0
136.07545	1.4
137.02994	1.8
137.05972	6.4
137.09628	10.5
137.13269	2.1
142.03488	8.9
142.96687	4.1
145.10100	2.0
147.04416	69.0
147.08012	3.5
147.11696	89.2
148.04823	1.5
148.07613	1.4
148.12013	2.3
160.04567	2.9
165.04233	1.7
165.05525	12.0
165.06760	1.6
165.09103	19.1
165.12759	99.0
166.05031	2.5
166.08611	7.7
166.13129	1.9
174.19810	1.0
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	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02371	1.3
51.44679	0.8
52.22558	0.9
53.03936	4.5
53.28221	0.8
55.01880	5.3
55.05516	12.3
57.03442	8.3
57.07074	2.5
59.00443	0.9
63.36509	0.9
65.03938	4.3
67.05511	53.7
68.05019	1.2
69.03085	1.3
69.03436	12.8
69.07074	11.1
71.04986	3.4
77.03905	1.0
79.05500	47.8
80.05013	1.8
81.03418	3.6
81.07064	100.0
82.07402	1.2
83.04982	13.4
83.08611	2.7
85.06562	6.8
91.05489	69.3
93.07056	44.6
95.04978	15.8
95.08620	28.8
97.06548	12.2
99.08088	2.6
101.00888	8.1
103.05455	1.9
105.04573	1.6
105.07042	83.5
106.07331	1.9
107.04951	2.3
107.08605	25.7
109.02869	1.7
109.06532	19.6
109.10163	11.5
109.55168	1.0
117.07038	1.7
119.01932	21.8
119.04953	40.9
119.08590	60.3
120.08089	4.0
120.08883	1.6
121.06554	4.6
121.10154	60.6
122.07311	2.6
122.10542	1.0
123.04455	5.4
123.08086	14.0
123.11712	9.8
124.02467	2.0
133.02841	2.7
133.06528	3.2
136.07590	3.2
137.03033	4.9
137.05963	7.2
137.09639	12.6
137.13261	1.4
138.05603	1.3
142.03520	13.4
142.96719	2.6
145.10152	2.4
147.04425	72.2
147.08066	1.9
147.11703	80.3
148.04811	1.7
148.07603	1.7
148.12035	2.7
150.06815	1.4
160.04596	2.7
165.01823	1.5
165.05571	12.5
165.06804	1.6
165.07677	1.3
165.09105	21.2
165.12769	89.6
166.05000	1.5
166.08598	9.7
166.13147	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	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.02380	0.5
53.03935	1.1
55.01861	1.4
55.05295	0.5
55.05514	4.6
57.03424	2.0
65.03930	1.3
66.10373	0.5
67.05509	23.1
69.03421	1.3
69.07064	1.4
71.04996	0.5
79.05495	5.3
81.03397	1.1
81.07064	10.7
83.04988	3.6
83.93034	1.0
84.04412	0.4
85.02953	0.6
91.05489	19.5
93.07044	4.0
95.04971	7.3
95.08623	5.3
97.06548	0.9
100.50382	0.5
101.00891	5.2
103.05495	1.0
104.06239	0.9
105.07037	5.0
107.04959	3.4
107.08617	3.0
109.02880	0.6
109.06539	5.2
109.10165	22.3
111.08055	0.5
117.07014	1.4
119.01933	9.3
119.04952	17.2
119.08594	17.2
119.09292	0.3
119.09470	0.6
120.01958	0.5
120.08094	1.5
121.06503	2.4
121.10173	2.7
121.13507	0.5
122.07307	12.4
122.08179	0.8
123.04417	1.9
123.08052	1.7
123.11714	0.8
124.02424	1.1
128.91025	0.5
133.02855	0.7
136.07617	1.2
137.02962	2.6
137.06012	2.5
137.09625	46.7
138.09995	1.2
140.08470	0.5
142.03511	8.3
142.96683	2.0
147.04420	30.8
147.08070	1.3
147.11684	3.5
148.07574	0.5
160.04558	1.2
165.01849	1.0
165.04404	1.3
165.05647	3.0
165.09123	100.0
165.12781	4.7
166.05029	0.8
166.08595	1.9
166.09624	1.5
173.01602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03946	1.8
55.01868	1.5
55.05519	5.0
55.08052	0.5
56.96560	0.7
57.03446	4.1
58.91247	0.5
65.03925	1.6
67.05508	25.8
68.05008	0.6
69.03432	2.5
69.07076	2.6
70.62206	1.2
71.04999	1.1
77.03912	0.6
79.05501	7.0
81.03410	2.1
81.07065	17.0
83.04986	7.3
83.93044	1.2
85.06564	0.6
90.57189	0.5
91.05487	25.7
93.06559	0.7
93.07058	7.6
95.04971	10.6
95.08614	9.2
96.11158	0.5
97.06551	1.1
101.00900	5.4
101.02561	0.7
103.05470	1.7
105.04504	0.7
105.07037	8.5
107.04966	3.3
107.08598	4.5
109.06532	10.7
109.10162	22.1
111.04603	0.5
117.07029	1.8
119.01930	12.3
119.04948	22.5
119.08591	23.7
120.04479	0.6
120.08090	2.3
120.08840	0.7
121.06532	3.1
121.10148	5.4
122.07302	11.8
123.04419	2.0
123.08076	3.1
123.11678	1.0
129.07069	0.6
133.02846	1.1
136.07593	1.2
137.03062	2.6
137.05995	3.5
137.09625	47.7
138.05482	0.7
138.09967	1.0
142.03519	7.5
142.96709	3.4
147.04419	47.1
147.08015	2.9
147.11690	9.2
160.04573	2.4
165.01811	1.1
165.05429	3.4
165.09123	100.0
165.12750	12.7
166.05008	0.9
166.08624	2.3
166.09737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03947	1.2
55.01873	1.1
55.05508	2.9
56.05026	2.1
65.03931	0.6
65.43188	0.6
67.05511	23.4
69.03425	0.8
69.04545	0.6
69.07061	1.1
69.75285	1.5
69.75720	2.0
70.06581	1.3
79.05504	3.2
80.05022	1.0
81.03432	0.9
81.04530	2.4
81.07065	8.4
82.06579	1.0
83.02476	5.9
83.04993	5.7
83.06104	2.9
84.06870	0.6
89.15672	0.5
91.05487	9.5
93.07044	1.7
94.06574	1.1
94.07824	0.8
95.04979	10.4
95.06058	1.1
95.08624	4.0
97.07648	1.9
98.07151	1.6
103.05459	0.9
105.07038	0.8
107.04967	3.1
107.06096	1.1
107.08579	1.6
109.06548	3.3
109.10165	21.7
110.07172	1.2
111.07951	1.3
117.07051	1.2
119.04945	3.6
119.08592	17.7
121.06521	2.7
121.07623	1.0
121.10122	0.8
122.07285	18.5
123.04428	1.0
123.06728	1.1
123.08170	1.1
123.09194	2.7
124.05089	2.1
124.08729	5.3
125.09524	1.5
133.02875	0.6
136.07590	0.8
137.06058	1.4
137.09630	51.1
138.10164	1.7
147.04416	5.3
147.08069	1.1
147.11649	0.9
148.07584	0.7
148.08717	2.4
165.09125	100.0
165.11368	9.2
165.12769	5.1
166.08652	2.5
166.09766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	1.7
66.92019	0.2
67.05491	0.3
70.41608	0.7
79.05475	0.4
81.07052	0.5
86.97367	0.2
91.05489	24.6
92.05814	0.6
95.04983	0.5
95.08590	0.3
97.65300	0.2
101.00887	0.9
101.68854	0.2
105.07001	0.3
109.06538	0.5
109.10226	0.2
109.32733	0.3
119.02000	1.5
119.04951	56.0
120.05293	1.1
123.04443	1.8
123.08101	1.5
137.05988	7.0
138.06357	0.3
142.03525	1.2
147.04422	100.0
148.04759	2.2
165.05495	14.6
166.08617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02384	0.7
53.03933	1.9
55.01883	4.1
56.96567	7.8
58.61581	0.7
58.64800	0.5
62.99374	0.7
65.03934	2.0
67.05506	2.1
69.03421	1.9
69.48960	2.7
69.49366	1.9
75.50787	0.6
75.70226	0.6
77.03944	1.3
79.05500	17.4
80.94960	0.7
81.03416	0.7
81.07070	3.8
82.01493	0.8
83.04995	0.9
91.05490	39.5
92.05842	0.8
93.03398	1.6
94.04192	1.9
95.04985	4.9
95.08627	1.5
101.00899	6.6
103.05478	11.0
105.07040	100.0
106.07399	1.8
107.04979	1.3
107.08620	1.3
107.64173	0.7
109.02885	1.6
109.06525	4.4
109.10172	1.7
115.05450	1.3
118.53387	2.0
119.01934	12.8
119.04956	36.7
119.08588	4.4
120.02029	0.8
120.04388	0.7
120.08139	1.8
121.06552	1.2
122.03667	5.6
123.04428	2.5
123.08091	1.5
124.02460	1.4
124.05233	3.1
125.98660	1.0
127.53907	0.9
131.04913	0.8
133.02878	1.4
133.06505	71.8
134.06845	1.4
135.04424	1.2
136.07544	1.2
137.03046	1.9
137.05991	71.2
137.09605	1.6
138.06354	1.6
142.03516	7.2
143.99689	1.6
147.04424	65.0
147.08044	1.2
148.04782	1.4
150.06812	1.7
154.52567	0.8
160.04575	1.8
165.05478	8.2
165.07716	0.6
165.09123	17.6
166.04974	0.8
166.08685	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	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03952	0.3
56.96570	0.3
59.74023	0.2
64.88320	0.3
65.03941	1.6
67.05504	0.8
71.05904	0.3
71.06245	0.5
79.05484	0.6
81.07072	0.7
89.69966	0.2
90.32726	0.2
91.05483	27.6
92.05807	0.4
93.07043	0.4
95.04982	1.5
95.08581	0.3
97.15961	0.2
97.30380	0.3
99.26580	0.2
100.96394	0.2
101.00891	1.8
103.05410	0.3
105.03419	0.3
105.04519	0.2
105.07027	0.9
106.49358	0.3
109.06520	0.5
119.01949	3.3
119.04945	53.1
119.08588	1.2
120.05269	0.8
121.06527	0.6
123.04426	1.7
123.08067	0.5
124.02478	0.4
137.02983	0.5
137.05969	0.8
137.09619	0.4
142.03508	2.3
147.04414	100.0
148.04741	1.9
165.05481	2.3
165.09134	1.3
166.08640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.03931	0.3
55.01855	0.3
56.96575	0.3
65.03946	1.8
67.05505	1.1
69.03421	0.3
70.73977	0.6
70.74306	0.2
73.39126	0.3
79.05502	1.0
80.05041	0.3
80.94947	0.3
81.07071	0.6
91.05485	29.8
92.05793	0.5
93.07071	0.6
94.91727	0.3
95.04977	2.4
95.08617	0.5
98.20811	0.2
99.06819	0.3
101.00888	3.1
103.05462	0.5
105.07043	1.5
107.04945	1.3
109.06517	1.0
109.10170	0.6
119.01952	5.1
119.04945	56.4
119.08559	1.6
120.02068	0.2
120.05287	1.1
120.08117	0.8
121.06504	0.7
122.03568	0.3
123.04452	2.1
123.08092	0.5
124.02473	0.5
129.42055	0.2
133.02814	0.4
133.06505	0.4
137.02979	0.9
137.05066	0.2
137.05981	5.4
137.09618	1.0
138.05507	0.4
142.03505	4.1
147.04414	100.0
148.04745	2.3
160.04541	0.7
162.32671	0.2
165.01855	0.5
165.04204	0.3
165.05479	3.9
165.07861	0.3
165.09091	1.8
165.12726	0.4
166.08672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45875	0.3
53.03946	0.6
55.01860	0.5
55.05505	0.5
56.96557	1.0
65.03940	1.9
67.05520	1.4
69.03418	0.4
69.07076	0.3
71.10825	0.4
72.27573	0.3
79.05516	1.4
81.03445	0.4
81.07085	1.3
82.99857	0.6
83.04984	0.4
91.05483	30.3
92.05817	0.6
93.07045	0.8
95.04965	2.5
95.08601	1.0
101.00878	3.0
103.05464	0.9
105.03412	0.5
105.04552	0.4
105.07021	2.4
107.05006	0.4
109.06513	1.0
109.10161	1.4
117.07024	0.3
119.01939	6.9
119.04945	55.7
119.08596	2.4
120.02008	0.3
120.05279	0.9
120.08115	0.6
121.06526	0.6
122.07317	0.4
123.04440	3.0
123.08074	1.0
124.02450	0.4
133.02884	0.3
133.06497	0.7
136.07573	0.3
137.02974	1.2
137.06001	1.7
137.09616	2.2
138.05499	0.3
142.03514	4.5
147.04416	100.0
148.04779	2.0
150.06731	0.4
160.04544	0.4
165.01855	0.7
165.05463	2.9
165.06686	0.3
165.09106	4.4
165.12804	0.3
166.08635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
56.96568	0.3
63.65892	0.3
65.03934	1.4
67.05502	0.3
67.84164	0.3
68.55710	0.3
68.99815	0.3
69.03440	0.5
70.66011	0.6
70.66350	0.3
75.73447	0.2
79.05469	0.6
81.07069	0.7
85.42693	0.3
91.05490	26.2
92.05786	0.3
93.07042	0.6
95.04976	1.0
99.67799	0.3
101.00880	1.6
105.07047	0.7
109.06525	0.9
109.10180	0.3
114.41505	0.3
116.63557	0.3
119.01980	2.3
119.04955	54.8
119.08614	0.9
120.05305	1.1
120.08123	0.3
121.10149	0.3
123.04446	1.9
123.08072	0.4
137.05023	0.5
137.06000	6.3
137.07022	0.2
137.09608	0.4
142.03493	1.5
147.04425	100.0
148.04776	1.5
150.16731	0.3
151.09543	0.3
160.04625	0.3
165.05495	12.6
165.07469	0.6
165.09052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03938	0.5
64.55882	0.3
65.03951	1.7
65.04227	0.3
65.92644	0.3
67.05499	0.7
68.62590	0.3
79.05493	0.8
80.94964	0.6
81.03435	0.4
81.07056	0.9
82.99846	0.4
91.05487	29.9
92.05814	0.4
93.07053	0.6
95.04980	2.2
95.08620	0.5
98.21459	0.6
100.03577	0.3
101.00890	3.7
103.05483	0.3
105.03395	0.4
105.07025	0.7
107.04965	0.3
108.54453	0.3
109.06565	0.3
109.10137	0.4
119.01944	5.8
119.04946	56.1
119.08604	1.0
120.05289	0.9
120.08095	0.4
121.10081	0.3
123.04432	1.8
123.08051	0.5
124.02470	0.5
124.93824	0.3
133.02879	0.8
136.07657	0.3
137.02936	0.7
137.06003	1.4
137.89784	0.3
138.09184	0.3
142.03496	4.3
143.03712	0.3
147.04416	100.0
148.04761	1.8
160.04543	0.7
165.05492	1.8
165.09123	0.7
165.12741	0.3
166.08665	0.8
181.97475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29253	0.6
66.54685	0.6
71.04347	0.9
82.01424	1.1
82.99850	9.4
100.02480	1.5
101.00890	69.7
102.00996	1.1
111.00442	0.9
119.01930	100.0
120.02032	1.8
124.02461	16.0
130.24411	0.7
137.02975	12.8
142.03510	85.5
143.03633	2.4
157.32823	0.7
160.04579	11.7
165.05118	1.0
167.56108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51496	0.7
58.92368	0.6
70.49209	0.5
70.71085	1.0
70.71410	1.1
71.44906	0.6
74.89079	0.6
82.01454	0.8
82.99844	12.4
95.68213	0.6
100.02470	1.1
101.00891	78.6
102.00960	1.5
111.00428	1.4
119.01930	100.0
120.02029	2.0
124.02454	14.1
137.02979	10.9
138.18440	0.6
142.03510	78.8
143.03638	2.0
147.04396	0.8
160.04573	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03931	1.8
55.01868	0.7
55.05513	4.0
57.07089	2.2
65.03939	1.9
67.01864	0.6
67.05505	0.9
68.59217	0.4
68.99786	2.1
69.03410	0.7
69.07073	11.7
69.75077	1.2
69.75497	1.4
73.46782	0.4
75.33781	0.4
77.03915	0.9
78.70852	0.4
79.01865	3.2
79.05499	9.3
80.04437	0.4
81.07070	2.5
83.08614	4.8
89.03923	3.8
91.05486	6.0
93.07052	12.5
95.04975	1.7
95.08601	3.1
103.05478	10.1
105.03391	0.5
105.07041	7.1
106.06531	0.6
106.43699	0.5
107.04976	3.4
107.08602	34.1
108.09351	1.6
109.06559	0.9
109.10173	1.1
117.03371	1.6
117.07021	0.7
119.04958	0.7
119.06039	0.7
119.08596	4.0
121.02007	0.8
121.02876	10.8
121.06502	0.7
121.10150	37.8
122.10534	0.6
123.08092	0.7
130.07787	0.8
131.04936	10.5
132.08090	0.6
133.02850	1.8
133.07620	0.5
135.04425	6.8
135.11696	8.2
145.02850	2.6
145.06483	0.5
145.10146	1.5
163.03917	100.0
163.07486	5.2
163.11171	2.7
163.12427	0.8
163.14828	11.0
164.04271	2.8
164.07040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01587	0.5
50.06172	0.5
51.02377	0.8
53.03949	5.9
53.40849	0.4
55.01870	1.5
55.05511	4.8
57.03417	0.6
57.07074	0.6
61.02920	0.4
63.02370	0.5
65.03931	1.9
67.05508	6.1
68.99792	2.0
69.03422	1.6
69.07070	9.1
70.40630	1.3
71.08610	0.4
72.21754	0.4
77.03925	1.8
79.01864	0.9
79.05497	24.9
80.04993	0.5
80.05844	0.4
81.03423	0.5
81.07059	31.6
83.08620	5.4
84.08127	0.5
85.02895	0.6
89.03919	9.8
91.05483	12.2
92.02616	1.9
93.07050	25.7
94.07339	0.5
95.04974	6.4
95.08609	17.1
97.10194	0.5
98.94112	0.6
100.02474	0.7
103.05470	23.6
105.03414	2.6
105.04510	3.5
105.07032	6.9
106.06580	2.2
106.07204	0.5
107.04961	14.8
107.08598	54.3
108.08141	0.7
108.08912	0.7
109.06501	1.2
109.10160	0.9
114.39215	0.4
115.05452	0.7
117.03380	8.0
117.05750	0.9
117.07021	4.0
118.03551	0.5
119.04958	1.8
119.06144	0.8
119.08589	2.5
120.02082	0.6
120.08079	0.7
121.02888	3.8
121.06512	3.6
121.10149	15.5
121.95773	0.8
122.06081	0.5
130.06531	3.8
130.07764	1.0
131.04935	25.0
132.05267	0.6
132.08086	4.6
133.02863	12.1
133.06436	0.5
133.10141	0.7
135.04425	28.8
135.08084	3.1
135.11696	6.2
136.04744	0.5
136.07567	1.0
145.02876	5.0
145.03917	0.8
145.06525	2.2
145.10118	3.8
148.05124	0.8
148.08821	0.8
163.03909	100.0
163.07524	10.1
163.11180	13.1
163.12363	3.1
163.14827	24.1
164.04369	2.3
164.06950	2.0
164.10623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02369	1.3
53.03948	6.3
55.01865	2.8
55.05512	8.0
57.03417	3.0
57.07076	6.0
63.92955	1.8
64.19721	0.8
65.03929	2.5
67.05518	4.9
68.99787	1.6
69.03416	2.6
69.05369	1.0
69.07069	40.8
69.45844	4.1
69.46274	3.0
70.07411	1.0
71.88523	0.9
77.03918	1.8
78.95290	1.8
79.05494	25.0
80.05029	1.2
81.07053	9.7
83.08620	10.0
84.08151	2.6
85.02908	1.9
85.99442	0.8
89.03923	14.8
91.05482	20.8
92.02617	1.8
92.05751	1.3
93.06483	1.9
93.07045	34.3
94.06541	1.0
95.04990	7.4
95.08616	10.7
99.06377	2.1
103.05465	26.7
105.03394	2.3
105.04510	4.0
105.07034	23.2
106.06525	1.8
106.07246	1.0
107.04960	14.3
107.08597	100.0
108.09402	1.3
109.06539	2.3
109.10139	2.3
115.05442	1.8
117.03379	12.1
117.05732	0.9
117.06995	6.7
118.06506	1.7
119.04935	4.0
119.06074	1.6
119.08588	8.1
120.04491	0.9
120.08111	2.4
120.09356	1.5
121.06509	10.8
121.08430	3.9
121.10146	61.7
122.10471	1.7
123.08029	1.5
129.06990	1.6
130.06566	4.4
130.07780	3.1
131.04933	27.8
132.08078	4.0
133.02852	11.9
133.07626	1.2
133.10120	2.2
135.04422	45.1
135.08054	6.3
135.11697	22.2
136.04810	0.9
136.07579	2.4
140.95099	1.0
141.11432	2.0
145.02872	9.6
145.03909	1.7
145.06516	4.0
145.10110	9.2
146.02354	1.3
146.05975	1.3
148.05148	1.3
148.12448	1.2
163.03905	80.3
163.07535	14.1
163.11124	11.6
163.12358	3.4
163.14821	37.4
164.04391	1.5
164.07025	10.2
164.15140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02367	1.0
53.03946	7.1
55.01874	7.0
55.05313	0.7
55.05518	7.4
57.03435	1.9
57.07082	0.8
65.03928	2.1
67.01857	0.7
67.05508	9.4
68.99789	1.5
69.03442	4.8
69.07072	6.3
69.65601	0.6
71.51208	0.8
74.56316	0.6
75.78625	0.6
77.03934	1.6
79.01825	1.0
79.05496	33.4
79.42666	0.6
81.03423	2.7
81.06590	1.1
81.07063	21.3
83.04984	1.9
83.08619	1.3
84.08148	0.8
85.09719	0.6
85.24008	0.7
89.03915	9.1
91.05486	19.8
92.02642	1.6
93.07050	37.5
95.04974	10.9
95.08614	11.5
95.09187	1.2
99.06367	0.7
100.02505	0.8
103.05472	25.0
105.03416	3.0
105.04502	4.0
105.07040	17.1
106.06558	2.1
107.04964	21.7
107.08600	40.6
109.06522	2.6
115.05460	2.0
116.06254	1.1
117.03409	5.0
117.05753	2.0
117.06151	0.8
117.07016	15.4
119.04957	3.0
119.06112	0.7
119.08593	8.5
120.08109	0.9
120.50104	0.7
121.02887	4.5
121.06510	10.5
121.10158	17.2
121.95771	1.0
129.06963	1.1
130.06580	3.9
130.07803	4.9
131.04944	22.7
132.08122	4.7
133.02861	13.0
133.06494	1.3
133.10156	1.9
135.03404	1.5
135.04430	25.8
135.08064	6.6
135.11697	14.4
136.07570	0.9
143.08589	1.8
144.57108	0.8
145.02878	3.6
145.03914	1.1
145.06508	2.5
145.10129	21.6
148.05193	1.1
148.08856	1.2
163.03917	100.0
163.07552	13.4
163.08788	1.2
163.11177	37.8
163.12335	3.0
163.14832	12.4
164.04274	2.7
164.07048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02396	1.1
53.00300	0.4
53.03711	0.5
53.03949	7.0
55.01869	1.9
55.05518	0.9
57.03428	0.6
57.07072	0.6
59.21984	0.5
59.89610	0.6
61.88060	0.5
65.03939	2.1
67.05522	1.2
68.99788	1.2
69.03421	2.1
69.07060	2.0
70.44831	1.3
70.45155	0.6
71.67931	0.4
74.06081	0.5
77.03927	2.1
78.95281	0.5
79.01878	1.0
79.05496	14.7
80.05016	0.9
80.93096	0.5
81.03410	1.8
81.07053	2.5
83.08597	0.6
84.08135	0.6
85.02906	1.1
89.03925	10.5
91.05489	9.2
92.02619	2.0
93.03407	1.6
93.07046	6.6
95.04972	8.0
95.08607	1.0
99.06399	0.8
102.04733	0.5
103.05474	61.9
104.05804	1.6
105.03409	4.1
105.04514	4.0
105.07035	6.7
106.06560	1.8
107.04963	22.9
107.08598	9.4
113.98237	0.5
115.05457	2.6
117.03387	8.1
117.05740	1.6
117.07004	4.3
118.04200	0.5
118.06552	1.3
119.04932	1.7
119.06837	0.6
119.08611	2.6
119.97885	0.6
120.05752	1.4
120.08124	1.3
121.02888	3.1
121.06487	3.5
121.10146	4.6
121.95680	0.6
123.08073	0.6
130.06525	4.0
130.07785	1.0
131.04936	65.8
132.05283	1.2
132.08095	4.2
133.02866	10.9
133.06458	0.7
135.04428	33.4
135.08063	6.2
135.09048	1.0
135.11678	2.5
136.04782	1.0
136.07571	2.1
145.02887	4.9
145.03940	0.8
145.06522	3.8
145.10136	4.2
148.05183	2.2
163.03912	100.0
163.07545	25.1
163.08664	1.5
163.11172	8.7
163.12352	2.4
163.14825	2.3
164.04243	2.2
164.06935	2.4
181.02911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02377	1.1
53.03949	4.4
53.65853	0.4
55.01871	0.8
55.05511	6.2
56.68843	0.4
57.29951	0.4
59.76886	0.5
65.03937	1.4
67.01882	0.8
67.05513	1.3
68.99800	1.5
69.03429	1.3
69.07066	2.5
71.51828	0.5
71.74167	0.4
72.08178	0.8
77.03938	2.4
79.01858	1.5
79.05492	9.9
81.03432	0.7
81.07053	5.0
82.06602	0.4
83.04983	0.8
83.08630	2.6
89.03922	6.2
91.05486	7.5
92.02617	1.0
93.07046	7.4
95.04964	4.9
95.08611	2.8
100.09425	5.4
100.11257	9.9
103.05468	80.2
104.05814	1.4
105.03391	1.9
105.04514	2.1
105.07036	4.0
106.06579	1.0
107.04952	14.2
107.08598	11.7
108.08157	0.9
108.08923	0.5
109.06489	0.8
111.04465	0.7
115.05462	1.8
117.03365	3.9
117.06999	2.8
119.04964	1.2
119.08565	1.4
120.05685	0.5
121.02887	4.5
121.06509	2.5
121.10145	4.9
122.06020	0.6
130.06541	1.4
130.07784	0.6
131.04930	100.0
132.05251	1.7
132.08044	1.2
133.02869	6.4
133.06503	0.5
135.04416	29.5
135.08047	3.7
135.11649	2.3
136.04742	0.8
136.07581	18.3
143.11768	0.6
145.02879	2.5
145.03868	0.6
145.06480	1.7
145.10117	3.6
148.05164	0.7
151.95674	0.4
156.63882	0.4
163.03908	79.2
163.07544	40.9
163.11148	8.1
163.12329	1.3
163.14801	5.0
164.04237	1.8
164.06924	3.4
164.51157	0.5
182.15329	2.1
183.64136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02375	0.6
53.03952	2.4
55.61172	0.4
58.02949	0.4
62.29818	0.3
65.03934	1.2
66.04721	2.4
70.80584	0.9
73.41902	0.4
77.03936	2.0
78.04282	0.4
78.04719	6.7
79.05509	2.0
80.05014	1.4
81.03420	0.7
81.05817	0.7
81.07051	0.4
91.05492	6.0
92.02634	2.7
92.05000	4.4
93.07051	1.2
94.04184	0.9
95.04977	3.5
95.06291	0.3
103.05486	0.5
104.05000	82.5
105.03448	3.3
105.05785	100.0
106.02925	0.8
106.04183	0.6
106.06597	6.0
107.04953	1.3
107.07383	1.9
107.08582	0.9
108.04478	1.5
109.05315	0.4
110.06077	1.0
117.05767	1.1
118.06562	9.0
118.07362	0.7
119.03676	1.4
119.04934	0.6
119.07331	0.9
120.04478	36.1
121.06506	17.9
123.06824	12.0
126.73697	0.4
130.02898	6.6
130.03879	0.7
130.06548	0.8
131.03241	1.3
131.04948	0.5
132.04465	32.7
132.08080	1.0
133.02933	6.2
133.05244	60.9
134.02394	1.8
134.06076	3.6
135.04442	6.8
135.08061	0.5
145.06551	0.3
145.07605	0.6
145.10141	0.5
146.02347	0.7
148.03946	13.6
149.04735	11.2
149.05933	0.7
154.80190	0.4
162.05516	22.5
163.03949	23.1
163.06273	21.6
163.08415	0.4
163.11220	1.9
163.12366	0.8
163.14839	0.4
164.04291	0.7
164.07080	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02375	0.5
53.03946	0.6
54.39305	0.2
55.01867	0.4
61.67879	0.3
63.02390	0.4
65.03951	1.4
67.01870	0.7
68.99443	0.3
68.99795	2.6
69.42814	1.8
77.03950	0.5
79.01863	3.5
79.05509	1.9
80.02225	0.2
81.07035	0.3
89.03932	2.7
90.22021	0.2
91.05450	0.6
93.07065	0.4
95.04984	0.7
95.29528	0.2
96.31349	0.2
100.48608	0.2
103.05465	1.6
105.06998	0.3
107.04955	1.9
107.08598	0.7
117.03391	0.9
117.06994	0.3
121.02878	11.4
121.06401	0.2
121.10088	0.3
122.03200	0.4
131.04947	1.7
131.42259	0.3
132.08099	0.3
133.02861	0.7
135.04417	3.2
135.08047	0.5
145.02852	2.0
145.10118	0.4
153.35854	0.2
163.03914	100.0
163.11192	0.6
164.04257	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	162.0915
Annotation	Indole-3-ethanol
Peak:m/z	Relative Intensity
53.04025	0.7
55.01935	0.4
55.05586	0.3
56.05089	0.5
58.99663	0.2
65.04005	0.5
67.05585	0.4
68.05112	1.8
68.99860	0.5
69.07130	0.5
70.06654	0.5
71.51679	0.4
74.06158	1.0
76.02283	0.2
77.04018	0.3
79.01929	0.4
79.05505	1.9
80.05025	1.1
81.03483	0.3
81.07144	0.8
89.03912	1.6
91.05488	2.0
92.05856	0.4
93.07039	1.1
95.05039	0.9
95.08707	0.4
98.06061	8.6
102.05593	0.4
103.05470	4.7
105.03477	0.4
105.04594	0.3
105.07090	1.0
106.06618	0.9
106.07430	1.5
107.04943	2.1
107.08597	2.2
115.05446	2.0
116.01698	0.3
116.05032	0.5
116.05824	0.4
116.07112	1.7
117.03370	1.2
117.05815	0.5
117.07022	8.6
118.06602	0.8
118.07365	0.3
119.04941	0.2
119.08621	0.4
120.04530	0.3
120.06609	0.6
120.08145	1.6
120.08959	0.8
121.02837	1.4
121.10182	0.9
126.05541	0.4
127.05445	0.3
128.05028	0.4
128.06244	0.3
130.04214	0.3
130.06531	0.7
130.07805	0.2
131.04932	3.8
131.07356	0.3
132.08087	0.5
133.02879	0.9
134.03674	0.3
134.06023	0.9
134.06886	0.5
134.09612	0.5
134.10490	0.7
135.04407	3.5
135.08078	1.0
135.11687	0.5
143.07320	5.8
144.08089	100.0
145.02885	0.7
145.06488	1.3
145.08441	2.3
145.10139	0.7
146.05988	0.3
147.04364	0.4
148.08839	0.4
155.06058	2.1
162.05458	5.1
162.07629	1.7
162.09111	12.3
162.13644	1.1
163.03914	19.7
163.07542	1.9
163.11134	1.3
163.14777	0.7
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	L-2-Aminoadipate
Peak:m/z	Relative Intensity
50.89141	0.3
52.07874	0.3
53.03942	1.0
55.01872	1.0
55.05518	5.2
56.05040	5.5
57.03434	1.0
57.79753	0.3
58.06589	0.6
60.08170	0.7
68.05037	1.7
69.03429	1.1
70.06598	15.1
71.04990	1.2
74.02437	1.2
74.06093	2.4
79.05496	0.8
80.05019	0.8
81.03425	1.1
81.07043	0.4
82.01448	0.4
84.04508	24.0
84.08170	0.7
85.02921	1.4
85.06543	0.8
87.04466	0.4
88.03989	0.5
89.03934	2.1
95.04914	0.4
96.04493	2.5
97.02878	0.7
98.06062	100.0
98.09686	0.7
99.04458	2.5
99.06403	1.0
100.02512	0.4
100.05302	0.5
101.00874	0.9
102.00979	1.6
102.05547	5.1
102.09200	0.9
103.00650	1.0
103.02449	0.5
103.03948	1.3
104.17497	0.3
107.04976	1.0
109.02959	0.4
112.08746	0.5
114.05534	0.5
115.02418	0.5
116.07098	18.5
116.10722	1.2
117.03390	1.3
119.01932	1.2
120.02006	4.8
120.06590	1.9
120.08096	0.5
121.01660	1.5
125.02590	0.4
130.05011	3.2
131.48695	0.4
133.03479	1.5
134.03583	1.0
134.06010	0.5
135.04454	2.6
138.03183	0.9
138.96437	0.4
139.02472	0.7
144.06570	14.1
144.14020	0.4
145.02896	0.8
145.04997	1.3
146.83437	0.3
147.05180	0.4
156.97580	0.4
157.03502	2.9
162.04243	0.6
162.05513	1.3
162.07661	2.5
162.09120	1.5
162.11263	2.4
163.03905	3.0
174.98514	0.4
175.04514	0.5
180.50650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03935	2.1
55.01868	1.0
55.05512	9.3
65.03932	1.7
67.05508	6.3
67.98114	1.1
69.07063	9.2
69.74484	5.8
74.06064	1.5
79.05497	10.2
81.07056	14.3
91.05484	42.5
93.07043	12.1
95.04986	1.2
95.08606	3.7
98.06055	1.8
103.05492	4.6
104.04982	3.8
104.06257	1.1
105.03381	1.3
105.07032	100.0
106.06612	1.8
106.07319	1.7
107.08609	6.3
110.58196	1.0
115.05457	3.4
117.07021	14.8
118.04123	1.1
119.08584	95.6
119.95709	1.4
120.08904	2.3
121.10197	0.9
128.06195	1.9
130.02014	1.0
130.02878	5.1
131.08553	7.9
132.09354	3.4
133.06487	3.9
133.10135	45.8
134.06030	1.9
134.10413	1.2
143.04903	1.4
143.08591	2.0
146.07335	1.2
146.10889	1.4
159.11676	3.0
161.05881	2.8
161.07170	2.2
161.09641	8.5
161.13261	78.0
162.05501	9.5
162.09109	1.9
162.13625	1.9
168.46152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01873	0.8
55.05508	1.1
63.11414	0.3
67.05497	1.6
69.03088	0.7
69.03434	8.8
69.07071	0.6
69.29173	2.9
74.06069	0.5
78.93117	1.0
79.05501	3.6
80.05040	0.3
81.07064	1.7
90.16959	0.3
91.05486	8.6
93.07047	4.1
95.08596	0.5
98.06057	1.1
101.95020	0.5
102.05527	0.4
103.05489	1.8
105.03404	0.6
105.07036	44.8
106.06601	0.4
106.07333	0.8
107.04968	2.1
107.08585	0.7
115.05434	3.0
115.09458	0.5
116.06281	0.8
117.07008	3.3
118.04154	1.2
118.06474	0.5
118.07811	0.6
119.04916	0.6
119.08587	10.8
119.95795	0.4
120.08090	0.4
121.06507	14.4
121.07390	0.7
122.06788	0.5
128.06239	8.0
129.06546	0.3
131.04947	3.1
131.08591	3.0
132.05711	1.5
133.06528	4.6
133.10135	24.6
134.05933	0.4
134.10472	0.8
141.06982	0.9
143.04901	0.9
143.08572	10.4
143.09694	0.6
144.06570	0.5
145.06497	3.3
146.07271	25.3
147.07642	0.9
155.06071	0.9
159.08067	1.0
161.06125	2.7
161.09624	100.0
161.13254	8.1
162.05518	1.2
162.10138	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01501	0.4
50.28444	0.4
51.02325	0.7
53.03876	2.0
53.61037	0.3
55.01801	3.5
55.02088	0.5
57.77490	0.3
60.79077	0.3
65.03905	0.6
66.04655	1.2
70.35842	0.6
70.36195	0.9
77.03886	1.0
79.05502	17.8
79.05948	0.6
80.05804	0.4
81.03394	0.4
89.03885	1.1
90.04706	4.0
91.05496	5.5
92.02624	0.8
95.04977	2.4
98.05994	0.4
99.65878	0.3
101.95029	0.4
102.04646	0.8
103.05480	24.1
105.04512	1.5
105.07042	100.0
106.07368	1.5
107.04962	1.2
115.05467	29.8
116.05037	0.3
116.05772	0.5
118.04176	21.5
118.06516	2.0
119.08586	1.6
119.95768	0.3
131.04947	4.9
132.05774	1.1
132.44962	0.3
133.06511	44.5
133.10213	1.2
134.06874	0.8
143.05022	0.6
143.06047	5.0
144.04495	0.4
146.03639	0.7
161.06111	13.0
161.08429	0.5
161.09796	1.7
161.13348	0.7
162.05556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03946	3.0
55.01881	4.6
55.05517	1.6
56.96572	0.7
58.06605	0.6
58.99582	1.6
59.05020	0.7
65.42267	0.5
66.04727	1.6
68.05021	2.6
68.86466	0.7
69.03430	1.5
69.07068	0.7
70.06605	1.2
72.08154	2.6
73.08488	1.7
74.06090	0.7
77.03925	1.0
78.93130	1.6
79.05495	19.2
80.05019	1.5
81.07065	1.2
81.60849	0.6
82.02309	0.6
84.47959	0.6
85.02902	0.6
86.72094	0.6
89.03945	1.3
90.04720	3.0
91.05476	8.2
93.07069	0.6
95.04961	3.1
97.02919	0.7
97.04837	1.9
98.06054	8.7
98.20734	1.5
100.31853	0.7
101.95045	2.3
102.05547	0.6
103.05470	21.9
105.03391	2.1
105.07034	100.0
106.07356	1.4
107.04961	1.4
107.08662	0.6
113.02354	1.3
115.05453	28.9
116.01698	2.2
116.05760	0.8
116.07127	0.6
117.07023	4.7
118.04169	17.8
119.04988	1.2
119.08578	9.5
119.95827	1.2
120.06628	0.7
120.08089	1.3
120.96511	0.8
121.06493	1.5
128.06197	1.0
129.07912	0.6
131.04933	5.2
131.08588	1.4
132.05705	1.0
133.06494	45.4
133.10127	8.8
134.05971	1.3
134.06894	1.0
135.28531	0.6
137.96858	0.7
143.04938	2.6
143.06058	5.2
143.08591	1.8
144.06561	1.5
144.08096	14.5
145.08372	0.7
146.03613	2.3
146.07259	1.9
147.04399	0.6
161.04605	0.8
161.05977	19.7
161.07147	3.0
161.09605	12.0
161.10765	1.0
161.13264	7.3
162.05429	2.8
162.07681	1.6
162.09138	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.75701	0.6
51.02375	0.9
53.03951	2.5
55.01874	3.3
55.05506	0.6
57.19780	0.5
59.72385	0.5
64.72632	0.6
66.04718	1.8
66.77087	0.4
72.08160	1.5
73.08504	0.7
77.03928	1.3
78.93116	0.5
79.05499	18.0
89.03888	1.3
90.04708	3.7
90.10388	0.5
91.05487	6.9
92.02641	1.0
93.07053	0.6
95.04974	3.4
97.02840	0.7
97.04844	0.6
98.06062	2.0
98.20718	1.1
101.95055	0.9
102.04671	0.7
103.05474	23.6
105.03398	0.8
105.07038	100.0
106.07339	2.4
107.04950	1.2
113.02382	0.8
115.05462	29.6
116.07074	0.5
117.07024	2.1
118.04168	18.5
119.08593	3.1
119.95748	0.6
120.08111	7.6
122.07161	0.5
128.06244	0.6
131.04944	4.9
132.05719	1.0
133.06500	47.7
133.10141	2.9
134.05975	0.7
134.06909	1.1
143.04959	1.1
143.06064	5.4
144.08087	8.9
146.03645	1.4
146.07251	0.8
161.05988	14.3
161.07159	5.4
161.09576	3.7
161.13255	2.7
162.05493	0.7
162.07666	0.5
162.09186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95421	0.2
71.08660	0.3
75.12457	0.2
82.99843	5.5
101.00888	51.1
102.00950	2.0
103.01297	0.2
111.00433	0.5
119.01927	100.0
120.02004	4.3
121.01598	0.3
121.02375	0.2
124.02470	0.3
133.03508	0.2
137.02963	16.6
138.03050	0.6
142.03488	1.2
143.01894	0.4
143.03656	1.0
161.02966	4.7
161.04353	0.4
179.04004	4.4
180.04231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
58.99880	0.2
70.34575	0.3
70.34914	0.5
72.08163	0.3
82.99849	5.9
83.99932	0.2
84.08165	0.2
85.02944	0.2
96.04478	0.2
97.04846	0.8
98.06060	0.5
101.00893	49.5
102.00948	1.9
103.00652	0.5
103.01338	0.2
104.67313	0.3
110.01194	0.2
111.00434	0.5
115.02455	0.3
115.05839	0.2
118.03607	0.3
119.01934	100.0
120.02013	4.1
121.01621	0.4
121.02451	0.4
124.02481	0.3
125.02685	0.3
131.01868	0.3
133.03540	0.5
137.02969	16.2
138.03070	0.7
142.03516	1.1
143.01924	0.7
143.03708	1.4
144.03244	0.3
160.04523	0.2
161.02968	5.0
161.04192	0.9
162.58269	0.2
166.87636	0.2
179.04008	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71232	0.1
58.14540	0.2
69.56444	1.3
82.99841	6.1
83.99921	0.3
100.02543	0.2
101.00885	51.1
102.00945	1.5
103.00697	0.2
111.00431	0.4
119.01923	100.0
120.01993	4.0
121.01635	0.4
121.02413	0.3
124.02476	0.4
137.02957	15.5
138.03119	0.4
139.03387	0.2
142.03490	1.1
143.01921	0.4
143.03717	1.1
144.03252	0.2
160.04611	0.2
160.46457	0.2
161.02962	4.9
161.04303	0.3
162.03120	0.2
179.04007	4.1
179.05559	0.3
183.02321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55029	0.2
53.03945	0.5
58.99862	0.4
59.03547	0.2
70.34733	0.6
71.37073	0.2
72.08134	0.2
73.85567	0.2
74.43889	0.2
82.01446	0.2
82.99848	6.0
83.99938	0.2
84.08163	0.3
87.83746	0.2
88.31892	0.2
90.22578	0.2
96.04517	0.5
97.02895	0.3
97.04829	1.6
98.06065	1.1
100.02524	0.2
101.00889	48.3
101.95033	0.3
102.00974	2.2
103.00643	0.6
103.01293	0.2
104.58788	0.2
105.07006	0.2
111.00433	0.4
115.02417	0.3
115.05883	0.4
119.01929	100.0
120.02006	4.2
121.01675	0.5
121.02420	0.3
123.79852	0.2
124.02499	0.2
125.02638	0.4
126.56271	0.2
133.03435	0.5
137.02969	17.6
138.03111	0.7
142.03519	1.2
143.01903	0.8
143.03720	1.5
157.03517	0.2
159.04893	0.2
161.02954	4.9
161.04146	0.8
179.04013	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	160.1334
Annotation	DL-2-Aminooctanoic acid
Peak:m/z	Relative Intensity
53.03960	1.1
53.04180	0.2
56.05048	0.6
57.05827	0.7
58.06604	7.9
59.93115	0.4
60.04526	0.3
67.45136	0.2
68.05029	1.6
69.07066	0.5
69.96975	0.5
69.97362	0.5
70.06600	0.4
71.07375	0.9
72.08160	15.4
73.02912	0.2
77.94129	0.2
85.38888	0.2
86.09701	0.6
88.03999	0.9
92.62374	0.2
96.04498	12.6
96.08142	0.7
97.02908	0.8
97.04825	0.5
98.09740	0.2
98.97589	0.3
99.97894	0.2
100.07611	0.2
101.00893	3.0
101.06005	0.4
114.05542	4.1
114.09212	2.1
114.12814	100.0
115.13158	1.7
116.10757	1.9
118.06611	0.3
118.96770	1.7
119.01929	6.4
124.02515	0.2
132.08061	0.2
136.95355	0.3
137.02957	0.9
140.24644	0.2
142.03494	1.7
142.05029	0.5
142.08664	0.4
154.96524	0.4
160.04579	0.2
160.06174	0.3
160.07571	0.7
160.09776	1.1
160.13344	15.0
161.13533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40372	0.4
65.03926	0.5
70.27978	0.8
73.34259	0.3
83.44530	0.3
87.67809	0.4
90.03467	0.8
92.05009	3.3
105.04515	3.0
107.42117	0.3
117.04509	0.5
132.05577	14.5
135.05528	2.3
136.06033	0.3
160.05069	100.0
161.05438	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	160.0607
Annotation	4-Methylene-L-glutamate
Peak:m/z	Relative Intensity
53.03955	7.3
55.01861	0.5
55.05517	2.0
56.05035	0.6
56.96564	0.7
57.03435	0.8
59.05007	2.3
59.93117	0.9
66.16622	0.3
68.05035	14.2
69.03429	2.5
69.07088	0.4
70.06594	1.1
70.87534	0.8
71.04999	0.4
72.08169	1.9
73.02914	0.5
73.06564	0.4
74.02443	0.5
77.94168	0.5
81.03423	1.3
81.07067	0.4
82.06590	0.4
82.99843	3.2
85.01406	0.5
85.02913	1.0
86.06083	1.0
86.09730	0.9
87.04440	0.6
88.04000	0.5
96.04500	100.0
96.08119	1.5
97.02895	7.7
97.04231	0.3
97.04827	4.0
98.09724	0.5
98.97589	1.0
99.04480	0.4
100.02502	1.1
101.00892	27.0
101.06020	4.2
102.00995	0.6
103.00647	0.6
103.02478	0.7
105.04945	0.3
109.02957	0.5
111.02910	0.4
112.07568	0.3
113.00888	1.0
114.05540	29.4
114.09177	3.4
114.12810	1.2
115.00605	0.3
115.02445	0.5
115.35185	0.3
116.10735	5.1
118.03506	0.7
118.96786	3.5
119.01932	53.0
119.92020	0.3
120.02033	1.0
121.01639	0.6
124.02510	2.8
129.03970	0.6
131.01912	1.4
131.05528	0.4
133.03442	0.9
133.05310	1.0
136.95445	0.6
137.02975	9.3
142.03523	16.0
142.05006	5.4
142.08656	0.7
143.01938	0.6
143.03497	1.2
143.05359	0.9
145.01657	1.9
145.03511	0.5
147.04984	0.5
148.05698	0.8
149.06570	0.4
151.06367	1.0
154.92601	0.3
154.96486	1.2
157.03462	1.5
160.04585	5.1
160.06126	2.7
160.07443	0.4
160.09683	1.2
160.10854	1.2
161.02962	2.1
161.04086	0.3
163.02710	1.1
175.04655	0.6
178.05708	0.4
179.04033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03970	0.6
53.05649	0.3
63.89087	0.4
64.18997	0.3
65.03954	0.5
67.05514	2.8
69.68737	0.6
69.69148	1.4
70.06602	0.5
76.93377	3.3
79.05505	2.1
81.07064	1.1
89.62001	0.3
91.05486	19.3
92.05820	0.4
93.07065	0.6
94.94444	0.8
95.68668	0.3
96.04498	0.7
98.21488	0.7
103.05484	1.3
105.07036	22.1
106.07413	0.5
113.02357	0.4
114.05553	0.4
115.05449	6.1
116.06257	3.4
117.07025	33.8
117.95990	3.5
118.07307	0.5
118.96805	0.4
119.08585	11.1
120.08087	0.4
128.06215	1.6
129.07014	21.3
130.07800	22.1
131.08575	88.5
132.08910	1.9
135.97049	0.6
141.01849	1.1
142.05014	0.4
142.07765	2.2
143.08565	1.8
144.09351	22.8
145.09715	0.7
157.10144	4.5
159.08217	1.8
159.11697	100.0
160.05064	1.2
160.12024	2.6
162.40742	0.3
168.74129	0.4
172.41742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03963	1.8
53.22071	0.6
55.01889	1.0
55.05524	1.2
56.96577	3.7
57.03447	1.1
59.92478	0.6
59.93119	2.0
61.04060	1.3
67.05524	0.9
68.05048	2.3
69.07073	1.0
70.06594	3.2
71.01353	0.9
71.04990	3.1
71.50571	1.0
72.08157	3.9
73.95705	1.0
75.68992	0.6
76.93375	15.7
80.74334	0.6
81.03418	0.9
81.07071	1.8
83.04971	0.7
84.04529	1.7
85.02908	3.5
85.06595	0.7
87.37249	0.6
91.05491	6.0
93.05791	0.7
94.87157	0.5
94.94407	5.6
95.04966	0.7
95.08640	2.0
96.04494	24.9
96.05113	1.3
96.08149	1.3
97.02912	1.3
97.06551	0.6
98.97593	13.9
99.01976	1.1
99.04472	2.8
103.05475	3.2
105.03416	0.9
105.07043	3.9
113.02352	3.8
113.06009	0.9
113.07140	2.2
113.07886	0.8
114.05530	4.6
114.09199	3.2
115.05457	17.3
116.05001	1.3
116.06252	1.0
116.98627	8.4
117.05771	15.6
117.07051	2.5
117.95993	16.0
117.97645	0.8
118.06561	5.0
118.96803	4.6
119.08590	0.9
125.30523	0.6
129.07007	2.5
130.06529	30.2
131.04935	4.3
131.05923	0.9
131.06915	2.9
131.08563	8.4
132.04477	1.5
132.08095	100.0
133.08441	2.0
134.99663	3.3
135.95644	0.8
135.96037	0.8
135.97023	6.1
140.04909	1.0
141.01826	9.8
141.06952	0.9
142.05011	6.6
142.06523	21.5
143.07246	1.3
144.05698	1.7
144.09337	2.5
153.96722	2.7
154.96440	1.5
158.08394	1.5
159.02882	0.8
159.04404	1.4
159.06429	2.2
159.08174	4.7
159.09174	84.4
159.11507	8.2
160.04997	1.3
160.07588	21.3
160.09602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
54.20529	0.8
55.01875	14.8
55.05524	0.9
56.96568	51.1
57.03437	5.8
57.93557	1.8
59.93106	4.8
60.02150	1.0
61.02932	27.1
61.03252	1.4
67.05502	1.8
68.00256	4.5
68.05035	10.5
69.03428	2.0
70.06598	4.5
70.98124	27.2
70.99601	0.9
71.01359	50.9
71.04980	3.6
71.50676	1.3
71.93026	1.0
71.95261	5.5
72.08147	3.7
73.95684	3.0
74.97602	1.5
75.01066	1.1
75.04482	27.1
76.92945	1.7
76.93367	14.1
77.00788	5.4
77.94151	1.6
79.05515	1.0
80.00243	1.1
81.03418	5.3
81.07049	1.4
82.00005	3.1
84.04484	1.5
84.08140	1.0
84.96033	6.4
85.02914	7.8
85.06562	1.5
86.97589	1.0
87.04474	18.6
87.73356	1.1
88.99182	5.4
89.00786	18.8
89.02393	1.1
91.00542	4.5
91.05482	4.0
94.00031	1.3
94.94415	3.3
95.04945	1.3
95.08616	1.1
95.18696	0.8
96.04497	89.7
97.02903	2.9
98.01298	59.2
98.51481	2.1
98.97588	100.0
99.04454	4.0
99.06374	0.9
99.97919	2.9
100.01099	1.1
100.07650	1.0
102.09167	1.0
103.00506	15.6
103.03944	23.2
103.05457	2.2
103.66646	0.9
104.01309	1.7
105.00263	1.1
107.00215	2.0
107.01819	20.8
107.99736	1.0
109.52086	2.6
110.01231	1.1
112.01038	23.6
112.51199	1.2
112.99209	1.1
113.02401	5.5
113.06003	1.7
113.07135	6.6
113.07903	2.2
114.05528	11.1
114.09175	3.5
114.51255	1.2
115.05453	2.0
116.06178	1.1
116.97237	3.9
116.98626	62.3
117.00197	7.2
117.07030	2.7
117.50436	1.0
117.96008	12.8
117.97559	2.7
117.98962	2.4
118.96768	13.1
119.01830	2.1
121.01545	4.7
123.51804	1.0
124.01017	11.4
124.02078	1.6
126.00758	45.2
126.50951	2.9
127.00260	1.5
128.98601	3.0
131.00232	1.1
131.03418	5.0
131.04903	4.6
131.08562	5.5
132.04500	1.3
132.08095	3.1
133.01534	13.6
133.99095	0.9
134.99670	28.9
135.01237	10.7
135.51498	1.6
135.95627	1.8
135.97040	5.6
136.00035	1.4
137.51549	2.7
141.01848	14.0
141.06995	1.7
142.02116	1.5
142.03226	2.4
142.05008	28.0
142.08670	1.5
144.05730	2.5
146.99684	7.1
148.97647	1.8
150.95650	2.3
152.96947	1.5
153.00717	3.3
153.96669	6.5
154.96416	4.6
156.01790	1.9
158.01236	2.0
158.99641	4.8
159.02898	3.1
159.04401	1.7
159.06679	1.6
159.08012	4.6
159.09212	3.3
159.10213	2.0
159.11703	4.2
160.05078	1.6
160.07584	2.9
160.09682	1.4
165.00726	7.7
177.00729	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	158.0814
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03919	0.7
55.01878	4.7
55.05485	0.7
56.96572	6.5
57.03406	1.5
57.93573	4.3
66.69381	0.5
67.05497	1.2
67.07513	0.4
68.04998	1.4
69.03441	2.4
69.07080	5.2
70.06600	11.9
70.62376	1.4
70.98079	0.7
71.04972	0.7
71.95232	1.4
72.04482	1.0
72.08149	1.2
74.93835	0.7
75.94588	1.8
76.38351	0.5
79.05466	0.8
80.05006	0.8
81.03396	1.9
81.05769	1.9
82.06564	0.7
83.70838	0.5
84.04513	6.2
84.08120	1.8
85.02888	1.0
86.06041	1.2
87.04473	4.1
90.04675	1.2
90.43665	0.5
93.95663	0.7
94.06575	22.1
95.04919	0.8
95.07378	5.6
96.04501	28.0
96.07571	0.7
96.08141	8.2
97.02887	1.1
97.96800	0.7
98.06069	21.0
98.97596	48.5
99.04452	0.8
99.20861	0.4
102.05531	0.9
102.09179	1.0
110.01241	0.5
111.54941	1.0
112.07613	9.2
112.08739	1.1
112.11224	1.7
112.55034	0.7
112.55765	9.4
113.05927	1.1
114.05540	22.6
116.07090	1.8
116.96397	0.8
116.97261	16.7
116.98624	19.4
119.01856	0.8
122.06046	7.9
126.55460	0.9
130.06509	1.6
130.08624	0.7
131.99608	1.3
134.95810	2.6
134.99675	4.6
135.03105	0.9
135.06775	2.4
138.05498	1.9
140.07079	100.0
141.07404	1.5
142.05016	1.0
145.03532	0.6
148.96216	0.6
152.96935	4.8
158.08159	29.0
158.09586	4.7
158.11768	2.1
158.15427	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06186	0.7
55.01866	2.6
55.05499	0.7
55.93523	1.3
56.05026	1.6
56.96563	2.8
57.03448	3.6
58.99871	1.1
59.52197	0.9
61.02922	1.3
67.01893	1.0
67.05502	0.8
68.05019	1.5
69.03415	0.9
69.52444	1.2
69.65485	2.1
69.65913	2.3
70.02515	0.6
70.06586	3.0
70.95872	16.4
70.99858	2.1
71.01342	0.7
71.04961	0.7
72.08151	0.8
72.93795	11.2
73.02927	3.4
77.00929	0.7
78.52969	8.4
79.03041	0.7
81.03409	0.6
81.04550	1.5
82.01444	10.3
82.05332	1.7
82.06612	1.7
82.99843	8.2
83.01423	0.8
83.05009	0.8
83.06108	9.5
84.04504	1.5
84.08164	1.4
84.99265	1.0
85.01405	4.1
85.02898	0.8
86.52699	0.7
87.53497	0.7
88.96911	2.6
89.00890	0.9
90.94833	1.6
92.52705	5.6
93.04527	6.4
93.07030	0.7
95.01330	3.6
95.06118	5.8
96.04490	2.0
97.01426	1.4
98.09702	11.2
98.52686	0.7
98.97585	1.1
100.00109	2.4
100.02485	14.8
100.52428	1.3
101.00890	63.1
102.00970	2.2
102.02259	0.9
103.00639	1.0
103.02454	5.0
110.06098	5.4
110.07176	75.5
110.09698	1.4
111.05520	1.0
111.07518	0.9
111.98486	5.2
113.00863	3.3
113.53250	1.0
114.01015	1.0
114.04048	8.7
115.00630	2.0
115.01341	0.7
115.01592	1.0
115.02431	13.3
116.02552	0.7
116.03831	0.7
117.01879	2.2
118.01149	1.7
118.03523	4.3
119.01932	100.0
120.02035	3.2
121.01627	0.8
121.03493	1.9
124.02467	7.7
129.02740	1.2
129.99506	1.5
131.01929	6.6
131.96181	1.1
132.01982	3.3
132.05074	18.7
132.95840	25.9
132.96843	1.5
133.01784	5.7
133.03481	37.0
133.05193	2.7
134.03625	1.0
137.02968	14.8
138.04048	2.0
138.05501	1.4
141.02708	1.1
142.03514	47.5
143.01939	1.3
143.03639	1.4
144.81198	0.8
147.01465	0.9
147.03758	4.3
149.03024	0.6
150.06161	4.9
150.96892	18.5
151.04520	6.3
155.97427	2.1
156.03249	1.0
156.03706	0.8
156.05095	11.6
156.06505	1.8
156.07655	5.6
156.10226	2.1
156.13820	3.5
157.03467	2.2
160.02211	0.6
160.04576	6.9
161.02895	0.9
165.05072	1.0
168.01414	1.0
173.02303	0.9
174.06126	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	156.0423
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
56.41053	1.3
70.00829	2.5
70.01206	2.4
74.09730	15.7
82.06546	1.6
85.01405	1.7
91.85343	1.4
96.96922	2.6
103.02476	2.4
108.01461	1.5
110.06049	2.4
110.07185	14.9
112.05286	11.9
130.06311	19.4
133.03476	6.0
135.03259	1.6
156.04230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.93526	1.6
56.05035	1.0
57.03435	0.6
58.99845	2.1
59.05013	0.5
59.66690	0.4
67.05502	0.5
67.68248	0.4
68.98282	0.6
69.03435	0.5
69.96165	0.5
70.06599	0.7
70.95866	29.6
70.99877	0.6
71.01339	0.4
71.04987	0.7
71.50059	0.6
71.50462	0.5
72.00580	0.9
72.04511	1.5
72.93789	20.5
73.02924	0.5
73.98571	0.5
74.06051	0.7
74.93819	1.4
77.00904	1.2
78.63955	0.4
80.01212	1.7
80.51026	3.2
81.01088	2.6
81.03421	0.6
81.50918	2.3
82.01434	3.4
82.01787	0.3
82.06584	0.6
82.99821	2.4
83.01476	0.4
84.04513	0.9
84.08169	0.7
85.01402	3.3
86.06050	0.5
88.51707	1.0
88.96907	6.6
89.01736	3.8
89.32216	0.4
89.51573	6.8
90.01614	7.7
90.51446	3.3
90.94834	6.3
92.01830	0.9
92.51920	0.8
97.00120	0.6
97.01389	1.3
97.03807	0.5
100.00108	1.8
100.02483	9.5
100.47581	0.6
100.52533	0.7
101.00880	27.1
101.02417	1.6
101.52406	2.9
102.00961	1.0
102.02241	1.6
103.02453	7.9
105.00375	0.6
106.97939	0.6
108.95911	0.8
108.98145	0.9
109.48108	1.5
110.02354	0.8
110.06040	1.4
110.07195	0.7
110.09682	0.8
111.04469	0.4
111.08101	0.5
111.98479	12.9
112.06125	0.5
112.48213	0.4
113.00902	0.5
113.96373	2.4
114.00981	0.7
114.04025	16.3
114.09161	0.5
114.48607	0.6
114.94827	1.0
115.00610	2.5
115.01328	3.4
115.02435	15.1
115.04128	2.3
115.96448	1.7
116.03841	0.5
117.04017	0.5
117.98588	1.4
118.01144	2.7
118.02759	0.6
118.03530	5.2
118.48640	1.9
118.98465	1.4
119.01926	72.4
119.53133	0.4
120.01969	2.8
120.03287	0.7
120.48838	2.2
120.98858	6.2
121.01625	1.0
121.03503	2.9
121.48691	3.5
124.02476	0.6
124.06298	0.5
126.09161	1.2
126.99108	2.4
127.49090	3.5
127.98947	1.6
128.07086	1.0
128.10719	0.5
129.02715	4.3
129.49368	13.8
129.99414	33.1
130.03514	0.6
130.49205	15.6
130.99155	0.7
131.01901	2.5
131.97470	0.8
131.99614	1.9
132.02005	4.4
132.05072	100.0
132.49678	5.7
132.53043	0.7
132.95834	40.4
132.99504	3.2
133.01695	12.3
133.03471	67.9
133.05170	16.6
133.52986	0.6
133.97481	0.8
134.03668	1.4
134.04640	2.6
137.02960	17.4
138.04008	1.7
138.09163	0.5
138.49876	16.5
138.99919	33.1
139.04028	0.5
139.49728	18.3
139.99805	1.2
140.49864	0.5
141.00165	5.8
141.02670	2.3
141.50194	20.7
142.00046	10.6
142.01192	0.5
142.03523	2.8
142.50130	0.6
144.03246	0.7
145.03519	0.8
147.03772	38.1
148.00410	0.5
148.03876	0.7
149.03001	0.5
149.97206	0.8
150.00713	5.0
150.03189	0.6
150.06120	50.0
150.50720	16.9
150.96887	57.5
151.00539	9.9
151.02679	1.6
151.04515	20.6
151.06247	8.6
151.50551	0.9
151.97118	0.7
152.05905	1.2
153.00981	1.2
155.06712	2.2
155.97418	3.8
156.03284	1.8
156.05054	28.4
156.06526	1.7
156.10188	4.5
156.13831	0.5
157.03464	2.9
157.05159	1.2
160.02249	1.3
160.04533	0.8
162.01576	0.9
165.04842	9.7
168.97920	1.8
170.05327	0.6
173.07817	1.0
173.98511	3.3
174.06128	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60925	1.1
53.00296	3.6
53.03938	6.2
55.01876	4.0
55.05513	12.6
55.93518	1.6
56.96582	2.0
57.07063	1.7
59.04861	6.7
60.05648	2.8
65.03947	4.3
65.06119	4.4
67.05505	14.1
68.05032	2.4
68.99774	1.7
69.03439	4.0
69.07070	3.4
69.78654	6.8
69.96198	2.4
70.06202	1.9
70.06596	32.7
70.95872	24.0
71.01346	2.2
71.04994	4.1
71.06121	8.5
72.08151	9.0
72.93792	100.0
73.06421	2.6
79.05486	6.8
80.05021	7.7
81.03422	7.3
81.07072	9.0
82.06574	3.7
83.04996	10.2
84.06890	1.6
84.08135	5.1
85.06559	2.2
86.07182	5.7
87.07976	14.6
88.96895	2.8
90.06878	5.2
90.94834	20.8
91.05473	4.1
93.05802	1.5
93.07040	7.6
94.06561	5.6
95.04963	8.7
95.08622	3.4
97.06533	1.8
97.07657	6.4
98.09682	3.9
98.98501	2.0
99.00815	17.6
99.04456	5.7
104.08439	4.7
105.04519	2.4
107.08620	1.5
108.08134	13.1
109.02891	14.5
109.06529	6.0
109.08904	4.8
109.10168	5.4
110.02429	2.3
110.06019	2.0
110.07155	2.3
110.09699	3.5
111.04452	9.1
111.08042	1.3
111.09224	3.1
111.59373	1.2
111.98495	9.8
112.01562	1.9
112.08715	3.9
113.05990	6.1
113.07140	1.9
113.96408	52.7
114.07944	1.3
114.10321	8.5
114.94774	1.8
116.07088	2.1
118.09958	3.4
119.07056	3.7
120.08044	4.3
121.08920	1.4
122.09684	19.9
123.04447	3.3
124.11204	2.6
127.03920	16.0
127.07553	5.9
127.08686	4.9
127.09771	2.3
129.99500	3.5
131.96162	7.0
131.97446	19.4
132.95840	39.2
133.08649	8.6
134.04868	1.5
134.09470	10.5
136.11214	5.2
137.02350	2.4
137.05951	2.4
138.05504	2.0
138.09177	3.3
138.12804	3.3
140.04659	2.3
140.09468	6.9
149.97220	3.8
150.12785	15.1
150.96898	36.1
151.13277	1.3
152.14316	4.9
155.03384	16.0
155.07042	16.3
155.11826	5.3
155.97401	3.3
156.10214	5.1
164.14369	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	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34127	0.3
53.03942	0.7
55.05516	5.4
56.05033	0.7
56.05889	0.3
57.07082	5.8
65.03928	0.5
67.05511	1.6
68.05022	0.7
68.96333	1.1
69.03427	0.8
69.07056	0.6
69.43840	2.5
69.96178	0.3
70.02948	0.4
70.06594	1.4
70.94261	0.8
71.04997	0.5
71.45253	0.3
71.94112	2.3
72.93400	0.5
72.93793	6.6
79.05502	1.9
80.05013	0.5
81.06589	0.5
81.07061	7.4
82.06586	1.6
82.07364	0.7
83.04976	1.2
83.07349	0.9
83.08619	1.4
84.04510	1.7
84.05301	0.5
84.08159	0.7
85.06537	1.1
87.04432	0.4
90.94835	1.3
91.05480	1.1
93.05783	0.8
93.06967	0.3
94.06602	0.5
94.07363	0.5
95.04960	1.8
95.08605	0.9
96.04484	0.6
96.08118	0.5
96.97382	0.3
97.05272	2.6
98.06062	2.7
98.06639	0.4
98.09713	2.3
98.98484	0.3
99.04472	0.5
107.08565	0.3
108.04487	0.7
108.08131	4.1
108.08892	0.7
109.02847	0.4
109.06532	5.2
109.10163	0.7
109.98936	0.3
110.06054	3.8
111.04502	0.7
111.06844	3.9
112.96696	1.2
113.05960	0.6
113.96409	4.3
122.03219	1.1
124.07592	0.6
125.08425	0.5
126.05537	0.9
126.09154	4.6
127.03889	0.5
130.96318	1.9
131.96147	1.1
131.97441	1.6
136.03958	1.0
136.07584	4.4
137.05966	0.5
138.05499	0.7
139.06299	4.6
148.97375	1.7
149.97177	0.9
150.12827	0.4
152.07114	0.5
154.05078	4.0
154.08640	100.0
155.07043	0.8
155.09000	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	4-Deoxypyridoxine
Peak:m/z	Relative Intensity
53.03938	1.2
55.01867	1.3
55.05496	1.2
56.35225	0.3
56.54000	0.3
56.96576	0.6
57.07062	0.5
64.92865	0.4
65.03946	5.2
67.04247	0.4
67.05512	24.8
68.05033	0.9
68.96319	1.4
69.03432	0.6
69.07057	1.2
70.06595	2.4
70.22295	1.5
70.94251	0.8
71.04980	0.5
71.06124	0.4
71.94105	1.1
71.95268	0.4
72.08184	0.5
72.93797	6.9
79.01852	0.6
79.05484	1.2
80.04639	0.4
80.05028	5.2
81.03403	0.7
81.07069	3.6
82.06602	2.2
83.04984	1.2
83.07346	0.6
84.04492	1.4
84.08162	0.6
87.04493	0.5
87.07936	0.7
89.90064	0.3
90.94834	1.5
91.05494	4.4
92.05008	0.7
93.03423	0.4
93.05795	3.6
93.07039	1.1
94.06573	1.2
95.04979	24.9
95.08601	0.5
96.04494	0.5
96.05290	0.5
98.20902	0.4
107.07354	1.0
108.04504	5.2
108.05217	0.7
108.08129	13.3
108.08876	0.8
109.06532	1.1
109.10140	0.6
109.98925	0.4
110.06055	5.7
111.04460	1.0
112.03973	0.8
113.05998	0.7
113.96423	5.0
118.06565	0.7
121.05280	0.4
122.09675	1.2
125.05974	0.4
126.05522	1.3
126.09161	1.5
127.03903	0.9
130.96350	2.6
131.96199	0.9
131.97444	1.7
136.07590	100.0
137.02281	0.4
137.06000	0.4
137.07947	2.4
139.03903	0.8
139.35620	0.3
148.97362	1.6
149.97206	0.5
150.12759	1.1
152.07202	0.4
154.02208	0.9
154.05006	4.8
154.06064	0.6
154.08647	18.7
154.12204	0.9
155.03442	1.3
155.07050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Dopamine
Peak:m/z	Relative Intensity
51.84343	0.3
55.01867	0.9
56.96571	0.4
57.03433	1.8
58.99854	0.5
61.02916	0.5
61.78099	0.3
62.43649	0.3
65.03951	1.7
68.05032	0.3
69.03426	1.0
69.58929	0.3
70.92450	0.9
70.99886	0.4
71.01382	0.4
71.94105	0.4
73.02900	0.6
76.10862	0.3
81.07042	1.1
82.01444	1.3
84.39577	0.3
85.02910	0.7
91.05489	42.5
92.05828	0.9
93.61648	0.3
94.99834	0.6
97.02906	0.8
100.02479	1.8
101.00895	1.7
109.06538	2.7
110.06026	0.6
113.00885	7.1
113.03508	1.0
114.01031	0.4
114.04044	0.9
118.03492	0.4
119.01994	1.7
119.04952	24.8
120.05252	0.5
127.03555	0.4
130.96375	0.6
131.01921	13.9
131.96178	1.8
132.01984	0.5
132.05066	0.7
133.03502	0.8
136.02448	0.6
136.07608	0.5
137.05988	100.0
138.06326	2.0
142.03494	0.4
149.03001	1.3
149.97223	0.6
151.06445	0.4
153.01518	0.6
154.03528	2.3
154.05006	2.8
154.06158	0.6
154.07596	1.9
154.08705	1.0
163.06470	0.3
171.02510	2.3
172.04480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.05
Annotation	5-Aminosalicylic Acid
Peak:m/z	Relative Intensity
53.00295	0.2
53.03935	0.8
55.01860	0.5
55.05490	0.3
56.96572	1.2
57.03440	0.3
57.36775	0.2
58.99862	0.2
59.51102	0.2
65.03935	0.4
67.01850	0.3
67.05487	0.7
68.05032	0.3
68.96338	2.1
69.03417	0.4
69.96169	0.7
70.06581	0.5
70.94257	1.4
71.01350	0.2
71.04990	0.2
71.27251	0.3
71.27586	0.2
71.94096	0.7
71.95219	0.2
72.93780	1.1
78.03430	0.2
80.05014	1.8
81.03416	0.9
81.07050	0.4
82.01440	0.5
82.06594	0.2
83.04958	0.3
83.07352	0.4
83.83819	0.2
84.04521	0.4
85.02883	0.4
86.97361	0.2
87.50176	0.2
88.95301	0.3
90.94846	0.2
91.05497	1.8
92.05009	13.2
92.54517	0.2
93.03383	0.2
94.06556	0.2
95.01320	0.5
95.04959	0.5
96.04489	0.5
97.02937	0.2
98.06068	0.2
99.00847	0.3
99.04375	0.2
100.02473	1.0
101.00934	0.2
102.02189	0.2
105.02191	0.3
108.04488	4.4
108.08105	0.5
109.02892	0.6
109.06505	0.5
109.98955	0.6
110.06028	0.6
111.04467	0.3
112.07597	0.5
112.99152	0.2
113.00877	2.2
113.96391	0.6
114.04774	0.2
118.03510	0.2
119.01943	0.4
119.04948	1.2
119.53117	0.2
126.05490	0.4
126.09142	0.8
127.03912	0.8
129.03937	0.4
130.96307	2.6
131.00241	0.3
131.01906	4.8
131.03577	0.2
131.05527	0.6
131.96178	1.7
131.97174	0.3
132.01971	0.2
132.05014	0.2
132.61029	0.2
136.03941	12.0
136.07578	1.6
137.02396	1.0
137.04333	0.2
137.05978	4.4
141.80063	0.2
147.05037	0.3
148.97372	2.6
149.01180	0.4
149.02980	0.6
149.04782	0.3
149.06581	0.4
149.97198	1.1
154.04993	100.0
154.08398	1.7
155.03391	0.4
155.05426	1.5
155.06989	0.4
161.89279	0.2
172.02873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01598	1.1
51.02373	2.9
53.03950	1.3
55.01871	1.6
55.05511	4.3
59.04995	2.1
65.03934	2.8
67.01865	4.7
67.05502	3.1
68.79632	0.7
68.99791	5.6
69.03087	0.9
69.03436	14.3
69.07059	3.2
69.85926	2.9
70.94264	3.9
70.95882	1.3
71.05000	9.8
73.06557	6.8
79.01859	24.3
79.05494	12.8
81.06586	1.5
81.07061	28.6
83.01355	1.3
83.04983	2.3
85.02898	0.8
86.40105	0.7
88.95304	1.4
91.05489	3.7
93.03440	4.0
93.07050	13.0
95.04962	2.8
95.08606	3.9
97.02908	7.7
97.06544	5.9
100.79882	0.6
105.07054	0.8
107.01312	6.0
107.04963	3.2
107.08599	11.9
109.06523	1.4
109.10164	3.9
111.00845	0.8
111.04453	5.6
111.08092	2.7
111.96855	1.9
122.80950	0.7
123.00830	0.8
125.02348	7.0
125.05995	6.3
125.09616	1.1
135.04437	2.5
135.11685	6.6
143.03407	13.6
153.01845	100.0
153.02963	13.5
153.05450	15.1
153.06731	1.4
153.09096	2.5
153.12746	4.4
154.02203	2.0
154.04967	1.5
154.08656	1.4
173.81075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
50.01600	0.6
50.99581	0.6
51.02390	2.9
51.47151	0.6
53.00309	1.2
53.03953	3.1
53.93986	0.6
55.01872	4.1
55.05511	10.7
56.96572	0.7
57.03434	2.4
57.07078	2.7
57.70557	0.7
59.05000	4.3
65.03945	15.9
67.05505	13.0
68.96331	1.6
68.99805	1.2
69.03436	6.5
69.07074	15.4
69.07421	1.2
70.06598	0.6
70.75306	1.6
70.94264	9.8
70.95874	2.2
71.04996	12.7
71.94113	3.3
73.06560	7.9
75.04487	2.8
79.01859	24.1
79.02312	1.3
79.05496	24.3
80.05019	0.8
81.03430	1.9
81.07059	43.5
82.04205	1.5
82.06585	1.9
82.07391	0.7
83.04980	10.6
83.08628	1.8
84.04504	1.4
84.08141	0.7
88.95318	3.4
88.96906	0.9
89.95177	0.6
91.05485	12.6
93.03411	9.0
93.07047	26.4
94.06593	1.0
94.07384	0.6
95.01345	0.7
95.04973	100.0
95.08604	8.5
95.09162	0.8
96.05269	1.3
97.02888	6.4
97.06526	16.0
105.04555	1.4
105.07042	3.1
106.04164	0.9
107.01295	4.5
107.04965	6.5
107.08604	25.0
108.04507	0.8
108.08115	1.3
109.02883	1.2
109.06522	16.4
109.10151	9.7
110.03664	13.6
110.06033	1.0
111.04446	17.5
111.05602	1.1
111.08081	11.6
111.08783	1.0
111.11697	1.4
111.96870	5.1
111.98520	1.4
112.96714	1.2
117.07050	1.0
119.06034	0.8
119.08574	1.3
121.02882	11.2
121.06498	5.2
123.00802	1.2
123.04440	1.2
123.08044	0.8
125.02384	7.5
125.04298	0.9
125.05121	0.6
125.06001	11.0
125.09633	2.8
126.05535	1.2
126.09163	1.5
129.97897	3.3
130.96353	1.3
135.04460	3.2
135.05324	0.6
135.06450	0.8
135.08093	5.4
135.11702	13.8
136.03989	1.3
136.07562	2.8
138.03128	11.7
138.06747	2.8
139.03923	5.6
143.03410	15.5
148.97353	2.3
150.32457	0.7
153.01825	53.4
153.02959	13.6
153.05469	36.7
153.06519	1.7
153.09103	11.6
153.10172	0.8
153.12744	13.4
154.02261	1.3
154.04974	4.3
154.06213	2.8
154.08572	3.9
154.09637	0.5
154.12265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02373	1.5
53.00306	1.1
53.03946	4.5
55.01878	1.4
55.05516	15.2
57.03413	1.3
57.07076	2.2
59.05007	8.0
65.03940	4.2
67.01864	2.4
67.05511	7.2
68.99789	2.8
69.03433	5.5
69.07074	12.9
70.94251	3.8
70.95874	1.1
71.04996	30.7
71.40824	2.1
73.06559	20.4
79.01859	8.6
79.05495	28.7
81.07059	100.0
81.13994	0.9
82.07407	1.0
83.01345	1.7
83.04973	3.7
83.08614	3.0
85.06512	1.1
91.05479	10.2
93.03426	4.6
93.07048	40.1
95.04977	9.5
95.08628	8.9
97.02879	4.1
97.06540	10.5
105.04504	1.2
105.07016	2.6
107.01313	2.0
107.04951	1.8
107.08596	36.8
108.08145	1.0
109.06525	3.3
109.10172	5.3
110.03666	1.3
111.04430	4.6
111.08097	5.1
111.96874	3.3
119.06076	1.2
119.08622	1.8
125.02361	3.6
125.06000	3.8
135.04480	1.2
135.08087	1.8
135.10693	1.9
135.11696	21.2
136.07594	1.6
141.45580	0.8
143.03387	6.0
153.01840	59.9
153.02916	4.1
153.05431	5.5
153.06589	1.5
153.09138	1.8
153.12718	10.5
154.02197	1.6
154.08656	2.5
173.46992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02382	4.0
53.03936	4.5
55.01872	5.1
55.05515	25.0
57.03453	2.5
57.07073	11.9
59.05006	9.9
63.96913	1.4
65.03935	8.3
67.05507	13.4
68.96331	1.5
68.99793	1.9
69.03433	9.1
69.07070	23.8
69.44969	1.4
70.64945	1.3
70.94270	9.9
70.95863	3.0
71.04996	32.3
71.94102	2.7
73.06562	18.2
79.01853	22.2
79.05499	38.8
81.03412	1.5
81.07061	100.0
82.06569	1.8
83.04984	19.2
83.08613	3.9
84.04504	1.7
88.95319	1.6
91.05478	16.7
93.03407	9.5
93.07050	46.1
95.04959	17.0
95.08598	12.1
97.02898	4.2
97.06538	41.0
105.07038	4.2
107.01318	5.2
107.04974	16.4
107.08605	56.9
108.08116	3.9
109.06546	7.0
109.10172	17.6
110.03696	1.9
111.04456	10.2
111.08090	14.2
111.11710	1.9
111.96886	4.5
119.08579	2.0
121.02884	3.7
125.02360	6.8
125.05981	5.5
125.09644	5.1
126.09167	1.9
129.97935	2.2
130.96320	2.4
135.04462	9.2
135.08057	3.2
135.11700	31.2
136.03926	1.7
136.07564	3.7
138.03136	1.7
139.03926	1.9
139.06293	2.6
143.03415	11.9
148.97360	1.6
153.01836	46.3
153.02983	13.5
153.05455	11.4
153.06570	2.3
153.09105	5.0
153.10187	1.8
153.12784	26.1
154.02139	1.6
154.05011	4.2
154.08635	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02377	4.4
53.00305	1.9
53.03951	9.1
53.04159	2.0
55.01860	5.6
55.05514	18.0
57.03432	4.2
57.07068	3.6
59.05011	8.6
65.03950	13.3
67.05235	1.3
67.05511	16.3
69.03141	1.6
69.03436	15.1
69.07079	15.8
70.06574	2.0
70.56269	4.2
70.94262	9.1
71.04999	29.1
73.06556	20.8
77.03906	2.7
79.01863	38.3
79.05499	65.5
81.03409	2.9
81.07063	100.0
83.04998	13.4
83.08608	4.5
87.77524	1.5
89.03915	2.5
91.05495	14.2
93.03409	9.1
93.06487	2.5
93.07056	46.5
95.01341	2.1
95.04981	29.7
95.08606	12.1
97.02892	8.7
97.06535	21.7
103.84908	1.4
105.04527	2.9
105.07040	4.4
107.01337	8.8
107.04964	84.6
107.08603	48.6
108.04550	1.5
108.05258	3.7
108.08096	3.8
108.08850	1.9
109.06502	6.1
109.10168	12.9
110.03651	5.2
111.04443	16.1
111.05606	1.6
111.08079	7.9
111.96864	3.6
117.03448	1.5
117.07074	2.1
119.08654	1.8
121.02823	2.3
121.63287	1.4
125.02378	16.5
125.06004	13.1
125.09624	5.3
126.05496	2.5
129.97906	2.4
130.96284	2.8
132.16565	1.5
135.04427	34.7
135.05429	2.5
135.08034	4.3
135.11703	21.3
136.07632	13.3
138.03084	2.7
143.03406	21.7
148.97409	2.1
153.01822	79.3
153.02965	21.9
153.04007	1.8
153.04280	2.9
153.05434	14.9
153.07449	3.7
153.09174	6.9
153.12746	17.9
153.14659	1.7
154.05009	4.8
154.08638	8.0
161.05530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
51.15639	0.9
53.03925	2.1
55.01871	1.9
55.05515	10.9
55.84746	0.8
57.03436	5.2
57.07064	2.0
57.84305	0.8
59.04983	1.3
60.24004	0.9
61.45322	0.8
65.03962	5.2
67.05508	33.7
69.03426	2.9
69.07072	58.7
69.35284	7.4
70.07401	1.0
70.94261	5.8
70.95849	2.9
71.04989	2.8
71.94090	2.3
71.95265	1.0
79.05496	31.2
81.07059	39.1
83.04982	7.6
83.08619	5.6
84.04552	1.2
84.08123	1.1
84.94778	0.8
85.06541	2.3
85.79648	0.9
88.95306	1.1
91.05469	6.5
93.03401	3.9
93.07048	52.0
95.04988	2.0
95.08617	22.6
97.02879	1.0
97.05920	1.7
97.06533	23.4
102.26792	0.9
105.07016	2.0
107.04924	1.3
107.08603	50.9
108.08942	1.2
109.06512	2.1
109.10155	35.2
110.03654	2.3
111.04491	6.1
111.05596	0.9
111.08086	7.2
111.96898	4.0
112.96707	0.9
125.05982	4.4
125.09682	1.4
126.06336	1.9
129.97888	1.6
135.11699	100.0
136.03983	1.1
136.07544	1.1
136.12051	1.9
150.48332	0.9
153.01863	1.8
153.04366	0.9
153.05553	5.0
153.07486	5.0
153.09126	2.8
153.12752	80.6
153.22287	0.8
154.04991	2.5
154.08626	1.6
154.13158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01871	1.3
55.05495	0.9
56.69125	0.2
57.03423	0.3
59.85725	0.2
65.03934	0.6
67.01868	6.3
67.05499	0.5
68.99398	0.2
68.99786	5.7
69.03429	7.6
69.07065	0.4
70.64316	0.6
71.04970	0.5
73.06537	0.3
79.01856	1.0
79.05495	1.1
81.03395	0.6
81.06744	0.2
81.07059	1.9
81.38499	0.2
83.01350	1.7
83.04963	0.4
85.02905	0.4
88.05819	0.2
91.05486	0.6
92.99737	0.3
93.03407	0.5
93.07040	1.3
95.04958	2.7
95.08591	0.8
97.02899	4.1
97.06532	0.7
105.07056	0.3
107.04937	0.5
107.08587	1.5
109.06535	1.1
109.10114	0.5
111.00798	1.1
111.04448	6.1
111.08089	0.3
112.06152	0.2
113.36880	0.2
119.27140	0.2
125.02396	0.7
125.05991	0.8
126.40700	0.2
135.08041	0.5
135.11699	0.5
143.03455	0.4
153.01830	100.0
153.05460	1.6
153.12672	0.5
154.02171	1.6
171.03046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.5
51.02382	5.5
53.00299	0.9
53.03941	2.0
55.01871	3.1
55.05516	5.1
56.96538	0.5
57.03426	1.4
59.04999	1.2
64.64281	0.5
65.03947	10.1
67.05512	6.0
68.04236	0.5
68.96344	2.6
68.99789	1.3
69.03088	0.6
69.03432	7.1
69.06727	0.8
69.07076	9.9
70.06573	0.6
70.94260	6.0
70.95863	1.8
71.01360	0.6
71.04984	1.5
71.50415	0.5
71.94076	0.5
77.03963	0.5
79.01862	49.3
79.05502	15.3
80.02193	0.7
80.05006	0.7
81.03407	1.8
81.07058	7.8
82.06591	1.0
83.04993	5.9
83.08614	1.1
84.08174	0.7
85.02873	1.1
86.97391	0.8
87.00790	0.8
88.95291	2.0
91.05487	5.9
91.06033	0.7
93.03421	7.2
93.07050	9.7
94.06548	0.5
95.04984	6.9
95.08620	4.5
97.02901	10.1
97.06539	7.5
98.06037	0.5
105.04524	0.6
105.07036	2.3
107.01324	10.7
107.04292	0.8
107.04965	9.6
107.06075	0.6
107.08610	13.0
108.04507	1.0
108.08157	1.2
109.06524	4.5
109.10181	5.2
109.98937	1.2
110.03667	7.9
110.06040	0.5
111.03722	0.8
111.04456	16.7
111.05578	1.1
111.08080	5.5
111.96861	2.7
112.04694	0.5
117.07005	0.9
121.02889	1.2
123.00790	2.0
125.02370	15.0
125.05992	10.9
125.07917	0.7
125.09653	2.7
126.05519	2.1
126.09160	1.0
129.97887	1.9
130.96320	2.6
135.04436	3.6
135.08076	4.8
135.11687	2.8
136.03934	1.7
136.07590	3.4
137.02420	0.5
138.03139	5.6
138.06845	0.7
138.07852	0.6
143.03412	34.0
148.97375	4.7
153.01823	100.0
153.02966	29.8
153.05466	23.7
153.06630	1.8
153.09090	6.1
153.10243	5.2
153.11356	0.8
153.12726	4.0
153.14674	0.7
154.02217	2.1
154.03810	0.7
154.04964	5.7
154.08609	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	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03940	0.6
55.01863	1.2
55.05503	1.3
56.73371	0.3
65.03940	1.5
67.01545	0.5
67.01871	5.7
67.05487	1.0
67.71621	0.4
68.99792	5.7
69.03085	0.6
69.03431	7.7
69.07056	1.1
69.80131	0.3
70.94250	0.8
70.95869	0.5
71.04982	1.5
73.06561	0.9
79.01855	6.6
79.05497	2.1
81.03428	0.5
81.07067	4.4
83.01355	2.1
83.04989	0.8
91.05497	1.0
93.03397	0.8
93.07038	2.8
95.04971	6.3
95.08598	1.1
97.02906	4.0
97.06527	1.0
103.39378	0.3
107.01318	1.6
107.04961	0.4
107.08603	2.9
109.10165	1.4
109.20273	0.4
111.00809	0.8
111.04451	1.2
111.08092	0.6
111.96889	0.6
123.00773	0.5
125.02377	2.6
125.05992	0.6
135.11674	1.3
143.03419	4.6
153.01837	100.0
153.02850	4.3
153.09045	0.6
153.12770	1.0
154.02153	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.6
50.05636	0.3
50.29913	0.4
51.02382	2.6
51.47747	0.4
52.61541	0.3
52.82082	0.4
53.00301	0.4
53.03946	1.1
55.01876	1.9
55.05519	2.2
56.63464	0.4
57.03423	0.4
57.07062	0.5
59.04991	1.0
63.41994	0.4
65.03944	2.6
67.01866	5.7
67.05492	2.0
68.99794	5.5
69.03433	10.4
69.07074	2.7
70.94266	2.2
70.95843	0.4
71.04997	3.6
71.51340	0.5
71.94093	0.6
73.06555	2.1
74.16583	0.4
78.01128	0.3
79.01858	16.7
79.05499	6.0
80.05013	0.5
80.78329	0.3
81.03413	0.8
81.07063	11.9
83.01326	1.1
83.04990	1.8
83.08628	0.6
85.06532	0.4
85.38200	0.4
88.95292	0.5
90.66029	0.3
91.05480	2.0
93.03431	2.0
93.07052	5.9
93.61034	0.4
94.04201	0.8
95.04958	2.0
95.08605	2.2
97.02905	5.7
97.06542	3.7
105.07005	0.7
107.01326	3.8
107.04974	1.3
107.08609	6.4
108.04539	0.4
109.06508	1.9
109.10162	3.1
110.03674	0.4
111.00790	0.9
111.04466	3.1
111.08102	1.5
111.96876	1.4
121.02882	4.6
123.00800	0.7
125.02361	4.7
125.06003	3.8
125.09644	0.8
129.97913	0.5
135.04457	2.0
135.08043	0.6
135.11694	3.2
136.07520	0.5
137.84862	0.4
143.03407	11.4
153.01842	100.0
153.02942	10.1
153.05441	8.9
153.09087	1.4
153.12762	2.5
154.02145	1.9
154.05006	0.7
154.08600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03918	0.6
55.01870	1.6
55.05494	1.2
65.03938	2.8
66.09990	0.3
66.46451	0.3
67.01868	5.3
67.05489	1.3
68.99454	0.4
68.99793	5.5
69.03433	11.5
69.07074	1.9
69.16918	0.6
69.17327	2.8
70.94261	1.8
71.04983	0.8
71.94078	0.4
79.01411	0.4
79.01856	6.2
79.05505	2.5
81.03405	0.8
81.07063	3.1
83.01341	1.8
83.04977	1.3
83.08640	0.4
83.89902	0.4
85.02903	0.6
91.05473	1.5
93.03403	2.6
93.07075	2.5
95.04967	3.4
95.08616	1.7
97.02891	4.1
97.06529	2.0
105.07038	0.6
107.01310	1.5
107.04945	1.3
107.08593	3.0
109.06521	0.5
109.10155	2.5
110.03654	0.5
111.00771	0.9
111.03763	0.5
111.04436	2.9
111.08078	1.1
111.96843	1.1
121.79503	0.3
125.02351	4.2
125.06041	1.8
125.09637	0.5
135.04434	0.4
135.08061	1.5
135.11671	0.8
136.03880	0.5
136.07532	0.3
138.17972	0.3
143.03404	3.6
153.01834	100.0
153.02835	4.3
153.05455	1.7
153.09119	1.3
153.12761	2.2
154.02206	1.9
154.05020	0.4
154.08617	0.6
159.60040	0.3
160.20941	0.3
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
53.03950	0.8
55.05513	6.7
55.32469	0.3
57.07081	1.0
57.96326	0.3
61.09097	0.3
65.03937	1.9
67.05508	89.3
68.05849	1.3
69.07069	4.4
69.33422	2.9
71.08640	0.5
79.05498	4.8
80.06258	0.3
81.07061	46.4
82.07391	0.4
83.08633	1.1
91.05505	1.2
93.07050	4.5
94.07388	0.4
95.04962	0.5
95.08611	100.0
96.08939	1.9
105.07036	0.7
107.08617	1.5
109.06519	0.9
109.10163	49.3
110.10479	1.0
121.14874	0.3
123.03536	0.3
123.04396	0.5
123.08110	0.4
123.11700	0.6
138.51266	0.3
151.02812	0.6
151.03961	0.9
151.07555	0.6
151.11174	1.1
151.14822	8.9
152.07069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
54.24851	0.3
55.05514	6.5
55.19844	0.4
55.65085	0.3
57.07079	1.0
65.03944	1.9
67.05505	58.6
68.05830	0.6
69.07066	3.9
71.08632	0.7
71.27832	0.9
79.05491	6.5
81.03401	0.6
81.07057	56.9
81.15588	0.4
82.07415	0.6
83.08624	0.9
91.05499	2.1
93.07037	5.2
95.04955	1.7
95.08607	100.0
96.08950	1.2
100.27696	0.4
105.07024	1.4
107.08587	1.7
109.06543	2.0
109.10157	35.9
110.10477	0.6
115.93184	0.4
123.03365	0.4
123.04410	1.9
123.08053	1.1
123.11692	1.0
130.45407	0.4
132.67853	0.4
134.06030	0.4
136.02705	0.4
151.02835	1.5
151.03911	2.0
151.05931	0.6
151.07545	0.6
151.08615	0.6
151.11212	3.4
151.14815	7.9
152.07108	0.9
157.12738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
51.02386	0.7
53.03947	2.7
55.01868	2.7
55.05269	0.7
55.05514	6.2
57.07080	15.0
58.78336	0.6
61.03410	0.5
62.37179	0.6
65.03946	4.9
67.05513	44.3
67.19171	0.7
68.99796	1.7
69.03432	1.6
69.07073	11.2
69.62822	3.0
71.08638	5.3
77.03928	1.7
79.01866	1.4
79.05495	6.2
81.03418	1.4
81.07065	38.5
83.01369	0.7
83.08631	2.3
91.05476	4.3
91.25938	0.6
93.07047	7.3
95.04980	8.6
95.08616	100.0
96.08956	1.8
105.03406	2.7
105.04552	0.6
105.07051	6.6
106.44457	0.7
107.05021	0.7
107.08612	5.2
108.02107	1.1
108.05790	1.0
109.06517	8.4
109.10167	77.7
110.10503	0.7
121.06516	0.7
121.10182	1.5
123.04446	10.0
123.08092	8.9
123.11715	9.5
133.10144	2.8
135.08070	2.3
136.08849	10.7
146.41988	0.6
151.02950	0.8
151.03931	30.8
151.05006	2.3
151.07588	1.7
151.11198	78.9
151.14824	17.5
152.04355	0.8
152.11581	1.1
157.66759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
51.02380	0.9
53.03956	4.3
55.01868	1.2
55.05514	100.0
57.07072	1.6
59.05004	3.1
65.03954	2.2
67.05508	17.1
68.21846	0.6
69.03437	1.9
69.07079	2.8
70.79571	1.8
79.05491	7.9
81.07063	31.8
83.04973	1.4
91.05489	6.9
93.07053	6.3
95.04976	13.1
95.08601	6.1
97.06534	15.7
97.07140	0.9
105.07040	9.2
107.04994	2.5
107.08611	11.4
108.02133	1.4
108.05727	0.7
109.06522	12.8
109.10164	16.2
110.07324	1.9
119.04973	1.6
121.10197	1.9
122.07350	0.7
123.04430	10.5
123.08067	4.2
123.11718	10.4
125.09727	0.9
133.10106	5.2
135.04468	1.1
136.05252	0.6
136.08849	1.4
151.02765	1.5
151.03946	11.7
151.05089	2.3
151.07567	8.3
151.08653	1.0
151.11195	17.0
151.12320	1.4
152.07173	1.3
152.14395	1.7
153.31622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02368	0.4
53.03949	1.5
55.01879	1.9
55.05517	2.1
55.87982	0.2
57.03420	0.3
57.07058	0.3
61.57479	0.3
65.03947	2.3
65.12560	0.3
67.05507	10.7
68.05822	0.3
68.76876	0.2
68.99792	5.1
69.03432	0.6
69.07071	0.4
69.40262	2.1
69.67328	0.2
77.03933	0.4
79.05118	0.3
79.05499	2.7
80.05011	0.4
81.03419	2.1
81.07059	4.0
83.04993	4.1
91.05484	5.3
93.03426	0.4
93.07042	2.2
95.01337	0.7
95.04977	13.8
95.08604	3.1
96.08124	0.5
98.20817	0.5
105.03397	0.8
105.04516	0.6
105.06374	0.4
105.07037	3.5
106.06530	0.5
107.04948	0.8
107.08594	1.8
108.02088	1.0
108.05740	0.5
109.02893	1.2
109.06518	2.8
109.10159	1.9
111.04428	0.4
119.04975	1.5
121.02905	0.4
121.03983	0.3
121.10163	0.3
123.04436	100.0
123.08047	3.6
123.11707	0.8
124.03965	0.6
124.04771	1.8
124.07607	0.7
133.02878	1.0
133.06586	0.5
133.10144	1.0
134.06015	0.7
136.05212	0.6
144.29605	0.3
151.02930	1.3
151.03923	33.4
151.04977	1.8
151.07559	4.6
151.09526	0.3
151.11201	2.8
151.12315	0.4
152.03339	0.4
152.04439	0.5
152.05693	1.5
152.07072	1.7
152.14354	0.6
153.04169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02372	0.7
52.03172	1.0
53.03944	4.5
55.01872	7.6
55.02117	0.7
55.05511	1.0
60.97770	0.5
65.03944	16.1
67.05508	17.3
68.05828	0.6
68.99825	0.9
71.01362	0.9
71.02235	0.8
76.56793	0.6
77.03929	2.7
79.01864	0.5
79.05489	1.4
80.02641	2.6
81.03430	1.0
81.07073	3.5
84.02145	0.5
85.02934	1.6
91.01830	0.5
91.05482	12.6
91.06010	0.8
93.03436	1.0
93.07075	2.0
95.01361	1.2
95.04984	11.2
95.08636	2.1
105.03436	1.0
105.04503	2.7
105.07073	2.0
107.08632	1.2
108.02107	23.3
108.05789	0.7
109.02910	1.4
109.06558	1.3
109.10197	2.1
111.04442	2.6
112.01580	1.1
119.04959	5.4
121.03985	2.4
123.04430	20.1
123.08099	1.8
123.11720	0.6
123.72571	0.6
136.01561	2.8
136.05229	1.1
141.05475	10.3
151.03941	100.0
151.05078	42.6
151.07518	6.8
151.11172	2.6
152.04276	2.9
152.05382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01596	0.6
51.02372	0.6
52.03176	0.9
53.03947	3.7
55.01873	5.7
55.05515	4.2
56.18886	0.5
65.03613	1.0
65.03944	17.5
67.01894	0.6
67.05508	17.9
68.99793	1.1
69.44400	3.7
71.01350	1.1
73.24977	0.4
75.33223	0.4
77.03929	2.3
79.05492	2.1
80.02634	2.2
80.06284	0.5
81.03416	0.9
81.07065	5.4
84.02156	0.9
84.06798	0.5
85.02914	1.1
88.27464	0.5
91.05484	14.0
93.03413	1.4
93.07043	3.3
95.01354	0.9
95.04969	13.0
95.08611	2.5
97.06519	1.0
100.10358	0.5
105.03403	1.3
105.04527	2.3
105.07028	2.7
106.06542	0.6
107.08602	1.7
108.02104	20.6
108.05684	0.6
109.02955	1.1
109.06504	2.5
109.10156	2.0
111.04446	2.8
112.01600	1.5
117.63621	0.5
119.04946	6.3
121.04017	2.5
121.04835	0.6
123.04435	39.8
123.08049	2.4
127.03991	0.6
133.10146	1.4
136.01550	2.9
136.05200	1.4
137.05959	0.6
141.05469	8.7
151.03909	100.0
151.05051	42.6
151.07501	6.9
151.11179	3.8
152.04285	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
50.44069	1.5
51.40867	1.2
53.03934	3.5
55.05499	3.3
57.07074	3.0
61.51215	1.5
65.03944	26.8
69.07053	4.5
69.85715	5.3
79.05501	14.6
91.05479	20.3
93.03413	4.6
93.07050	19.3
94.69146	1.5
95.08583	1.6
103.05456	6.6
105.07040	41.4
106.07809	2.3
107.08601	45.2
109.06531	1.7
109.47565	1.6
111.04425	3.8
119.06087	1.9
119.08594	14.5
121.02872	35.8
121.03975	14.4
121.06548	2.3
121.10152	100.0
122.10459	2.2
123.08057	3.9
133.07628	5.6
134.10947	2.9
142.16393	1.6
149.02345	54.6
149.09656	7.2
149.13278	10.9
150.02591	2.4
151.02455	5.2
169.03497	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02365	1.5
53.03940	2.8
55.01864	2.4
55.05515	9.2
56.59657	0.7
65.03944	51.0
67.05511	5.2
67.73466	0.8
69.06799	0.8
69.07072	9.0
70.92726	0.7
77.03952	1.3
79.05495	29.7
81.07066	20.8
83.08604	1.5
91.05482	22.1
93.03411	12.6
93.07048	58.4
95.04969	2.8
95.08585	4.4
97.15128	0.9
98.03669	2.6
103.05484	1.5
105.04515	1.0
105.07033	7.9
107.08603	43.9
108.04476	1.9
109.06512	1.4
111.04453	7.3
119.06038	1.6
119.08580	1.1
121.02874	56.6
121.03985	19.6
121.06529	2.1
121.10146	14.0
121.10947	1.5
122.03208	1.2
131.08595	1.5
149.02354	100.0
149.09608	2.7
149.13284	13.4
150.02695	2.4
150.05536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45014	0.7
53.03949	1.6
55.01857	1.9
55.05506	1.5
55.92704	0.7
57.01421	0.7
57.33774	0.8
65.03944	55.0
66.04285	0.9
67.05502	1.8
69.03434	1.2
69.07060	2.2
69.29192	2.2
69.29611	4.7
78.04733	0.9
79.05503	7.9
80.02651	1.8
81.07045	2.6
89.03906	1.8
91.05486	11.7
93.03410	11.5
93.07053	12.5
95.04961	1.6
95.08630	1.1
98.03671	1.8
103.05484	1.9
105.07043	18.3
106.04147	1.4
106.07841	0.9
107.08604	15.8
109.06495	1.7
111.04449	7.3
112.03889	0.8
119.06093	0.9
119.08606	4.5
119.25014	0.8
120.09386	1.5
121.02874	58.7
121.03981	25.0
121.04845	1.8
121.06504	2.2
121.10150	33.5
122.03174	1.3
123.08088	2.5
131.08594	1.5
133.07596	2.1
133.10161	1.1
134.10890	1.2
143.12184	0.9
149.02353	100.0
149.09660	4.7
149.13303	5.9
150.02678	2.3
150.05498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.39785	0.5
55.01876	1.0
60.26994	0.5
65.03948	31.4
67.04244	0.9
70.85986	0.5
70.86337	1.2
78.03455	6.9
79.01874	0.6
79.05510	1.2
80.02645	0.6
80.05025	4.5
83.01338	0.6
91.04243	1.0
91.05489	1.1
92.04993	1.5
93.03410	7.7
93.05798	3.2
93.07056	1.8
94.04229	0.9
96.04507	1.1
98.03678	1.2
106.02926	37.3
107.08608	0.8
108.04488	8.8
111.04449	5.2
119.03658	0.9
120.04478	100.0
121.02878	30.8
121.03986	11.5
121.04813	2.0
121.05398	0.6
122.03225	0.5
134.02391	37.1
148.03934	1.2
149.02359	57.9
149.04741	12.9
150.02693	1.6
150.05351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03944	6.0
55.01859	2.7
65.03944	64.9
67.05494	2.0
69.38463	5.5
69.38876	2.1
79.05486	1.2
80.02632	0.9
80.05003	1.1
81.03433	1.2
81.07074	1.2
91.05483	89.2
92.05808	1.5
93.03407	10.9
93.07048	13.1
95.04980	5.4
98.03693	1.6
103.05485	4.2
105.03395	1.2
105.04498	1.8
105.07027	1.3
106.04202	1.4
107.04927	1.5
107.08580	2.5
108.04471	1.1
109.06525	13.3
111.04450	6.1
112.61016	0.9
119.06066	11.5
121.02867	57.8
121.03974	20.6
121.06476	1.8
122.06036	0.9
135.12462	0.9
136.13855	0.8
143.52866	1.1
149.02347	100.0
149.05983	16.0
149.07146	1.7
149.09634	1.8
149.10693	1.0
150.02676	1.8
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-Glutamate
Peak:m/z	Relative Intensity
56.05030	8.9
59.52378	2.2
67.63333	1.5
71.50508	3.0
72.88367	1.6
77.56372	1.8
80.58543	1.6
82.06586	3.7
84.04508	100.0
85.02911	3.5
85.04855	2.6
98.74799	2.0
102.05559	14.8
113.73009	1.8
130.05026	7.8
160.60449	1.7
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	O-Acetyl-L-serine
Peak:m/z	Relative Intensity
55.88464	0.7
57.69814	0.8
60.04529	17.1
65.03946	3.5
70.02962	11.7
70.05609	3.3
70.06036	1.6
84.04520	4.2
88.03997	100.0
98.21496	1.1
102.05547	42.8
104.53338	0.9
105.07071	1.1
121.02882	5.2
121.04028	2.8
131.62015	0.9
134.63902	0.8
140.45624	0.8
144.25209	0.8
149.02350	10.1
164.78767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
60.49244	0.4
65.03947	11.1
70.75678	1.0
82.06554	0.5
83.06927	2.0
84.04504	1.3
86.87453	0.4
91.05486	100.0
92.05830	2.2
95.04910	0.5
97.32432	0.4
101.07949	1.3
105.07008	1.0
115.24007	0.4
117.07073	0.6
119.04948	90.8
119.06818	2.0
119.08572	2.6
120.05267	2.5
123.96455	0.5
147.04422	33.2
147.08118	0.8
147.11690	0.9
148.04752	1.6
159.47240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.97241	1.0
55.05521	7.8
56.05844	3.0
61.20858	1.1
64.92811	1.1
65.03952	10.6
67.05495	1.7
68.42398	1.0
69.07072	1.6
71.42761	2.5
77.58166	1.3
79.05503	6.1
83.06435	1.1
83.06907	4.6
84.04510	10.0
91.05485	100.0
92.05817	2.3
93.07053	2.7
101.07962	3.1
102.05527	1.6
103.05449	2.9
105.04510	1.2
105.07035	49.1
107.04994	1.7
107.08598	4.8
107.59196	1.1
112.66829	1.4
115.05475	2.7
116.06261	2.2
117.07062	10.6
117.07848	1.8
119.04951	57.8
119.08588	68.9
120.05221	1.8
120.08925	3.0
123.96478	1.4
130.05032	1.3
130.07794	1.3
131.08594	1.4
132.09322	5.6
142.95032	1.1
145.10146	9.1
147.04420	35.9
147.05421	1.6
147.08073	5.2
147.11700	39.1
148.03787	1.1
153.36470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.54454	0.5
65.03944	10.9
68.41817	0.6
70.56264	1.3
83.06916	2.0
84.04529	2.6
91.05488	100.0
92.05818	1.7
93.83266	0.6
101.07952	1.0
105.07033	1.9
119.04951	93.9
119.08611	1.7
120.05302	1.7
123.96461	0.6
147.04422	43.0
147.08376	0.8
147.11688	0.6
148.04759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.93608	0.5
59.18963	0.5
61.68569	0.5
63.56084	0.5
65.03945	10.0
66.13153	0.5
66.64638	0.5
70.69116	1.2
70.69479	0.7
83.06915	0.4
84.04524	0.8
88.27258	0.4
89.95007	0.5
91.05482	100.0
92.05809	2.6
99.72237	0.4
100.39439	0.5
109.11916	0.5
119.04944	88.5
120.05297	2.6
147.04414	32.9
148.04765	0.6
152.67456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
55.05515	35.1
56.05040	9.8
70.06599	1.5
70.45017	2.2
74.02444	11.9
76.03826	0.7
80.00487	0.6
80.05017	1.4
82.06583	100.0
83.06915	1.2
84.04519	1.1
84.08163	1.3
86.06042	0.7
87.04479	1.8
100.07623	64.2
101.07978	1.0
110.06094	0.9
118.03162	0.8
119.04963	1.6
128.07091	16.6
146.08128	22.5
146.09198	0.9
153.00577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
54.03492	0.6
55.05515	32.1
56.05041	9.3
56.96566	0.9
58.06583	0.6
65.03942	1.6
70.06585	0.8
71.50128	0.9
74.02448	11.0
80.05016	1.3
82.06585	100.0
83.06921	1.1
84.04507	1.1
84.08150	0.9
91.05487	10.2
100.07622	64.4
101.07993	0.6
110.06052	0.8
119.04944	8.4
128.07092	16.6
146.08133	22.5
147.04417	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	146.0813
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
53.03942	0.8
55.05515	30.5
56.05041	9.1
58.06594	1.0
58.20809	0.6
59.63322	0.7
60.67221	0.6
65.03935	0.8
69.56290	4.5
70.06604	1.4
74.02450	12.2
80.05014	0.9
82.06586	100.0
83.06920	1.6
84.04494	1.3
84.08170	1.2
86.06071	1.9
87.04500	3.3
91.05476	4.6
98.21459	1.2
100.07627	66.4
114.96260	0.6
119.04959	4.4
128.07085	16.2
146.08147	22.0
146.09235	1.5
147.04448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0501
Annotation	6-Oxo-1,4,5,6-tetrahydronicotinate
Peak:m/z	Relative Intensity
51.02391	0.6
53.03952	19.9
54.03471	0.5
54.04265	0.4
55.01870	1.4
55.05500	0.7
56.03755	0.4
59.93111	0.4
68.05032	7.6
69.03429	1.9
69.56476	1.3
69.56886	1.3
72.98121	0.3
73.02857	0.4
74.66392	0.4
75.92410	0.4
78.03465	1.8
81.03401	0.6
81.04549	0.6
83.01342	0.6
90.19897	0.4
95.01331	3.5
96.04499	100.0
96.08147	0.7
97.02900	11.0
97.04847	1.2
98.20732	0.5
100.02525	0.7
101.00909	3.2
106.02921	2.8
114.05551	1.8
118.96801	0.4
119.01924	5.5
124.03971	2.8
125.02341	0.5
137.02995	0.6
142.03601	0.8
142.05005	9.7
142.08644	1.0
143.03383	1.5
158.06607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03942	0.7
60.84691	0.3
62.69077	0.3
64.12615	0.4
65.88467	0.3
70.06577	0.4
70.42131	0.7
70.42471	0.5
91.05487	3.7
98.06043	1.2
98.09659	0.4
99.04446	0.8
100.18015	0.4
103.05459	3.5
115.05461	8.3
116.04980	0.9
117.03441	0.4
117.05805	3.3
117.07024	22.3
118.06565	0.5
118.07322	0.5
127.05463	1.7
128.04941	1.9
128.06230	0.8
129.05765	0.4
130.06142	0.4
139.01852	0.4
142.06522	0.8
143.07312	16.3
143.08430	0.8
144.08093	100.0
145.06551	2.6
145.08412	3.3
146.05983	0.6
155.06055	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.3
53.36100	5.9
56.66156	6.2
70.77539	14.8
70.77866	7.2
82.01438	7.6
82.99844	8.7
88.36028	6.5
90.00604	5.6
90.43176	5.6
90.77444	8.0
96.04488	17.3
96.58919	6.9
99.82436	5.6
101.00896	59.7
119.01935	100.0
137.02939	11.6
142.03506	24.9
162.82607	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	142.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03950	19.6
55.01873	2.1
55.05511	0.9
67.05497	0.5
68.05029	6.9
69.03425	2.1
69.55077	2.6
78.03455	1.6
81.04543	0.9
82.01452	0.5
82.99825	0.5
84.72462	0.3
95.01347	3.4
96.04495	100.0
96.08119	2.2
97.02895	10.8
97.04839	1.8
98.20844	0.5
100.02494	0.5
100.54238	0.5
101.00887	4.3
106.02920	2.5
114.05551	1.7
114.09233	0.5
119.01924	7.2
124.03962	1.6
125.02348	0.5
137.02974	1.1
142.03516	0.9
142.05000	9.4
142.08595	0.7
143.03418	1.0
160.04576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24887	3.9
61.70507	4.7
66.78447	4.7
70.92274	9.1
71.52751	4.3
73.87434	4.0
75.81352	4.4
82.99826	4.8
85.75008	4.2
101.00890	40.4
119.01933	100.0
123.28907	4.5
137.02983	13.8
142.03520	20.4
152.37669	4.7
155.49934	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03751	1.6
53.03951	20.7
55.01862	2.5
55.65522	1.5
65.46974	1.6
68.05031	6.7
69.03442	1.7
69.49552	10.5
86.30226	1.4
91.74153	1.4
95.01330	2.3
96.04499	100.0
97.02917	8.8
98.20749	2.0
100.02494	1.6
101.00893	27.6
106.02882	3.1
114.05489	1.7
119.01073	2.3
119.01927	41.4
124.03964	2.2
137.02989	3.2
142.03502	4.8
142.04999	9.9
143.03340	2.1
144.12488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
54.84763	0.4
55.01878	6.5
55.05518	3.3
56.96568	0.5
58.83669	0.4
65.03943	11.4
67.01875	3.0
67.05495	1.9
68.99793	8.5
69.03424	2.5
69.59386	0.4
69.85600	1.0
69.86015	1.8
71.01343	1.3
83.04984	7.8
93.03410	7.1
95.04957	0.9
97.02898	3.1
98.21418	0.7
98.97578	1.8
98.98482	0.8
109.50648	0.4
111.04445	28.3
116.98619	0.5
121.02898	0.7
121.04019	1.0
135.76738	0.4
137.82056	0.4
139.03906	100.0
140.04182	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03945	0.8
55.01877	6.6
55.05516	3.6
61.76044	0.4
63.11042	0.4
65.03944	8.6
67.01876	2.8
67.05502	1.3
68.99792	9.8
69.03433	2.6
70.17451	1.4
71.01365	1.0
74.80798	0.4
77.03966	0.4
83.04986	7.2
85.51475	0.4
86.84013	0.5
93.03410	6.2
97.02887	2.7
98.20790	0.5
111.04449	29.5
112.04800	0.4
121.03997	0.4
139.03909	100.0
140.04254	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03936	1.4
55.01636	0.5
55.01878	6.9
55.05518	2.4
63.44451	0.4
65.03944	9.3
67.01871	2.5
67.05514	2.4
68.99794	9.0
69.03432	2.8
70.66908	1.1
71.01351	1.6
71.01709	0.4
83.04992	6.7
93.03419	6.0
95.04974	0.4
97.02902	3.1
98.97665	0.4
99.00818	0.5
111.04453	27.5
112.04762	0.8
115.41493	0.4
120.24797	0.4
121.02893	0.6
121.03957	0.5
139.03914	100.0
140.04253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
53.23250	0.6
55.01875	9.6
55.05507	2.1
59.04992	0.8
65.03619	1.1
65.03942	18.1
67.01871	5.5
67.05502	8.4
68.99794	15.1
69.03421	3.0
69.20357	4.2
69.20780	2.3
69.46150	0.7
71.01352	2.5
75.66851	0.8
77.03948	0.8
79.01909	0.7
83.04994	9.9
93.03409	14.3
95.04968	2.5
95.71999	0.7
97.02906	4.0
98.97590	0.8
99.00835	0.9
111.04447	26.9
121.02866	2.8
121.03977	1.5
131.09845	0.6
139.03908	100.0
140.04277	1.9
141.56599	0.6
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	Sesamol
Peak:m/z	Relative Intensity
50.80864	0.5
53.03949	3.4
55.01876	7.2
55.05521	3.0
60.98077	0.5
62.50338	0.5
65.03616	1.1
65.03945	18.1
67.01871	6.0
67.05511	8.3
68.99443	0.8
68.99795	12.9
69.03439	3.1
71.01353	2.4
71.20880	1.1
83.04991	8.8
92.88361	0.5
93.03412	13.8
95.04967	2.1
97.02884	3.1
111.04449	26.8
121.02872	2.2
121.35884	0.6
139.03911	100.0
140.04259	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03935	4.3
55.01859	2.6
55.05520	7.4
57.07076	8.6
65.03941	5.4
66.04736	6.7
67.05508	43.1
68.05828	1.0
69.03422	3.5
69.06741	1.1
69.07071	6.2
71.51102	1.0
77.03893	1.1
79.05502	17.5
81.03418	2.1
81.07063	71.9
82.07362	1.4
82.37994	1.0
91.05490	22.0
92.05833	1.4
93.07056	14.4
94.04194	41.5
94.04788	2.3
94.06542	1.0
95.05015	4.9
95.06075	2.5
95.08614	100.0
96.04501	1.7
98.21335	1.0
103.78358	1.0
105.04506	1.4
107.04956	4.2
107.08610	1.2
109.06541	6.7
109.10175	10.1
110.06069	2.5
119.04945	3.5
119.08584	4.1
121.02849	1.1
121.06516	2.7
122.03658	51.8
122.07275	4.1
123.03989	1.4
131.78041	0.9
136.97522	1.0
137.02458	4.1
137.05980	82.1
137.09616	19.0
137.10661	0.9
137.13258	9.6
138.01819	1.1
138.05455	3.6
138.06378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03946	2.2
55.01862	0.5
55.05507	1.9
65.03935	1.2
66.04714	0.8
67.05512	27.9
69.03426	1.3
69.07080	1.1
70.16271	1.2
70.16661	1.0
77.03930	1.7
79.05497	5.4
81.03390	0.5
81.07063	9.5
90.28321	0.5
91.04919	0.7
91.05487	12.8
93.07045	4.3
94.04195	8.4
94.07834	1.6
95.04987	1.7
95.08616	6.3
103.05467	1.1
104.06307	1.3
105.04559	1.5
107.04964	24.4
107.08602	1.4
109.06519	1.3
109.10167	32.8
117.07040	2.0
119.08590	14.2
120.08849	0.5
121.06509	9.3
121.18748	0.6
122.03676	9.5
122.07296	100.0
123.07650	2.2
135.08052	4.3
137.05991	14.3
137.09628	78.2
138.09973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.46068	0.4
51.18769	0.4
53.03953	2.1
54.43966	0.4
55.04758	0.4
55.05518	2.5
65.03947	0.9
66.04720	0.6
67.05509	31.2
69.03435	1.6
69.07078	0.9
69.33372	2.0
69.33803	1.7
77.03928	1.0
78.04738	0.5
79.05506	4.3
81.03409	0.5
81.07065	8.9
89.23520	0.4
91.04908	0.8
91.05481	16.1
92.59044	0.4
93.07058	5.2
94.04202	3.8
94.07834	1.4
95.05000	2.6
95.08617	6.5
103.05441	2.1
104.06258	1.5
105.04517	0.9
107.04961	24.3
107.08601	2.2
109.06538	1.5
109.10164	34.9
110.10526	0.5
117.07030	2.5
119.04961	0.6
119.07694	0.7
119.07947	0.3
119.08587	18.1
121.06522	8.0
122.03696	5.0
122.07294	100.0
123.07648	1.8
135.08086	4.1
137.02415	0.4
137.06017	7.5
137.09624	85.3
138.09962	2.0
149.07127	0.5
152.30251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	m-Methylbenzoate
Peak:m/z	Relative Intensity
53.03946	1.9
55.01881	1.8
63.89152	0.5
65.03944	9.1
66.04734	4.9
67.05513	2.8
69.03441	0.6
69.39888	3.8
69.40304	1.0
77.03922	1.1
79.05510	5.3
81.03410	1.2
81.07063	5.4
91.05489	100.0
91.62057	0.5
92.05815	1.7
93.07045	1.1
94.04195	35.0
95.04996	2.3
95.08610	2.7
98.21529	1.1
107.04953	2.5
109.06536	4.7
109.10146	1.7
119.04952	29.0
122.03658	47.8
122.07308	2.0
123.03997	1.1
137.05986	95.1
137.09566	2.7
138.06351	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02394	1.0
51.67914	0.4
53.03949	2.1
54.79790	0.4
55.01889	1.1
58.55352	0.4
65.03943	2.4
65.15660	0.4
66.04726	7.5
66.99018	0.4
67.05508	3.8
67.05769	0.3
69.03466	0.4
70.56464	1.1
77.03950	1.2
79.05498	5.4
81.03463	1.0
81.07060	5.2
91.05486	7.4
93.07074	1.5
94.04195	49.6
95.04498	0.4
95.05006	2.9
95.06107	0.6
95.08641	2.4
96.04527	0.6
103.84116	0.4
105.03386	0.8
105.04526	0.9
105.90820	0.4
107.04959	2.2
107.08730	0.4
109.06526	2.9
109.07661	0.6
109.10158	1.4
110.06067	1.1
119.04954	1.4
119.08643	0.6
120.04562	0.5
121.06535	0.6
122.03659	68.4
122.07323	1.8
123.04000	1.6
130.15414	0.4
130.80751	0.4
135.04488	0.7
137.02582	2.7
137.05983	100.0
137.09566	2.1
138.01723	0.5
138.05423	0.6
138.06421	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02395	0.7
53.03953	1.7
55.01873	1.0
55.05502	0.5
65.03951	2.0
66.04732	6.7
67.05511	2.9
69.03439	0.5
71.24508	0.8
74.60825	0.4
77.03931	0.9
79.05500	5.7
81.03428	1.2
81.07077	3.4
91.05482	8.2
92.05829	0.6
93.07052	1.2
94.04190	48.2
95.04980	1.5
95.06133	0.9
95.08614	1.9
96.04503	0.5
105.03396	0.8
105.04513	0.6
107.04958	2.5
109.06503	1.5
109.10204	0.7
110.06037	0.7
113.27374	0.5
119.04950	1.0
122.03654	65.1
122.07300	1.2
123.04021	1.3
135.04410	0.5
137.05981	100.0
137.09511	2.2
138.06322	1.9
138.09111	0.7
139.15581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
56.73351	0.2
57.03430	0.3
65.03941	0.2
67.02991	0.6
68.10063	0.2
69.87658	0.4
69.88065	0.5
78.53001	0.2
82.01472	0.4
82.04050	0.2
91.05488	3.1
92.02508	0.5
94.04060	3.9
98.20826	0.2
100.02491	0.4
101.00877	0.2
109.05132	0.7
112.05000	0.3
113.00851	1.0
114.49067	0.2
119.03559	13.8
119.04956	0.9
131.01906	1.6
136.06195	100.0
137.04604	4.9
137.05780	0.3
137.06552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02406	0.5
53.03951	1.9
55.01884	0.8
57.07066	0.5
60.77121	0.5
61.01157	0.4
65.03941	2.8
66.04725	6.9
67.05508	5.5
69.03440	0.8
69.95284	1.7
69.95697	1.0
74.67612	0.4
77.03933	1.1
79.05504	4.8
81.03445	0.7
81.07062	5.6
91.05484	10.8
93.03457	0.6
93.07056	1.5
94.04192	47.9
95.04476	0.9
95.04984	1.6
95.08609	3.7
96.04505	0.6
105.03395	1.1
105.04569	0.6
106.53879	0.5
107.04966	4.3
109.06520	1.8
109.10145	2.9
109.83397	0.4
119.04948	1.7
119.08558	0.9
121.06496	1.2
122.03656	68.3
122.07281	8.0
123.03988	1.4
135.04396	0.5
137.02414	1.4
137.05984	100.0
137.09602	7.7
137.13306	0.7
138.05399	0.6
138.06310	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03936	2.0
54.75147	0.8
55.01866	0.7
57.17699	0.7
65.03951	1.5
66.04716	7.1
77.03919	1.1
79.05507	5.1
81.07040	2.6
90.16227	0.7
91.05490	4.4
94.04190	51.2
95.05020	0.9
98.21497	2.0
105.04521	0.7
107.04908	1.9
122.03653	71.2
123.03985	1.1
131.58783	0.7
135.04399	1.3
137.05981	100.0
138.06291	1.8
155.86070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
55.05512	8.0
57.07058	2.3
65.03930	3.5
67.05487	3.1
69.07070	2.6
71.51086	2.0
72.88773	1.1
76.16945	1.2
77.03938	2.8
79.05068	1.7
79.05497	22.6
79.54694	1.1
81.07050	2.6
81.90786	1.2
89.03870	1.4
91.05489	61.6
93.07050	52.7
95.04955	5.1
95.08592	1.3
101.02171	1.1
103.05419	1.9
105.04522	2.7
105.07039	30.2
106.04135	1.5
106.07826	1.3
107.04939	3.8
107.08602	100.0
108.08933	2.4
109.06503	7.1
115.05431	3.9
117.07018	4.0
119.06077	6.6
119.07799	2.0
119.08587	22.5
120.09385	8.0
135.04451	6.1
135.05379	1.5
135.08035	3.6
135.10704	2.1
135.11700	31.8
136.02148	6.9
136.06178	4.1
146.79755	1.2
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
51.91986	0.3
53.03943	0.5
55.01876	0.7
56.96565	0.3
57.03435	1.7
58.99853	0.7
65.03929	0.6
67.02975	0.4
69.03419	0.6
69.17558	0.3
69.51118	1.8
70.99853	0.4
71.04998	1.6
77.00912	0.5
78.52960	2.0
80.05032	0.2
81.03433	1.4
82.01456	1.9
84.08158	0.3
85.02925	0.4
86.02934	0.4
86.03774	0.3
87.53477	0.3
90.95367	0.3
91.02452	0.4
91.05485	6.6
92.02534	0.6
92.04987	0.9
93.05776	0.6
94.04060	4.3
95.01312	0.5
95.03503	0.4
99.04465	0.5
99.53492	0.6
100.00077	0.8
100.02500	3.3
100.05240	0.6
101.00874	1.7
101.02538	0.4
102.02261	0.6
103.02398	0.3
106.94772	0.4
108.04527	0.6
108.08113	0.5
108.83245	0.3
109.02869	0.5
109.05106	0.7
112.05055	0.4
113.00880	5.5
114.00942	0.4
114.04034	0.8
115.02426	0.6
118.01108	1.3
118.03506	0.7
119.01974	1.9
119.03562	12.7
119.04848	1.7
120.03367	0.2
122.03663	0.4
123.01704	0.4
131.01915	14.8
132.01929	0.4
132.05078	0.4
133.03462	0.9
136.02199	3.5
136.06194	100.0
136.99440	1.5
137.04590	6.2
137.05930	1.6
141.02707	1.4
142.03441	0.4
145.03494	0.4
147.77710	0.3
149.02956	1.4
154.03482	0.5
154.04988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03957	6.7
55.01875	1.8
55.05511	6.1
57.07074	1.8
57.43921	0.9
65.03936	4.2
66.47249	1.0
67.05489	3.3
69.03407	1.7
69.07066	2.1
70.76672	2.3
77.03938	1.9
79.05077	1.3
79.05505	22.8
81.03389	1.0
81.07059	2.1
91.05490	67.9
93.07055	44.4
95.04959	4.2
103.05490	1.3
105.04508	2.6
105.07038	29.5
106.07848	1.4
107.04942	3.8
107.08605	100.0
108.08945	2.3
109.06530	6.8
115.05472	6.3
117.07008	6.4
119.06071	6.7
119.07813	1.4
119.08595	19.5
120.09425	6.2
133.10068	1.3
135.04436	2.2
135.05481	1.7
135.08101	8.2
135.10718	2.0
135.11702	28.4
136.02145	3.3
136.06215	2.8
136.07498	1.0
140.04959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.52365	1.9
53.03943	4.7
54.93356	1.7
55.05508	6.7
56.79169	1.6
65.03947	2.7
67.05518	3.7
69.07093	2.5
71.05284	2.4
77.03908	2.0
77.34689	1.7
79.05502	21.3
91.05490	55.6
93.07055	44.0
95.04978	3.9
95.08633	1.9
105.04568	3.7
105.07045	25.3
107.04967	3.4
107.08607	100.0
109.06524	5.8
117.07040	4.2
119.06080	5.8
119.08604	16.2
120.09382	4.9
126.58343	2.3
135.04431	1.9
135.11699	34.4
136.02155	4.1
136.06133	2.1
147.12735	1.7
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
51.65723	0.7
53.03942	4.3
55.01627	1.1
55.01877	14.9
55.05505	1.2
65.03948	9.7
67.05507	6.4
69.03434	13.8
70.38310	2.7
77.03955	1.2
79.05497	51.7
81.07044	0.8
82.26948	0.6
86.28879	0.7
91.05486	100.0
92.05786	1.4
92.06280	2.8
93.07053	9.8
95.04965	7.0
98.64146	0.8
103.05430	0.9
105.04552	0.9
105.07037	33.5
106.04159	1.7
107.04949	5.8
107.08602	48.8
109.06528	9.8
115.05464	27.7
115.06284	1.4
116.06295	1.6
117.07023	23.3
119.03563	1.3
119.06082	9.8
119.08599	2.7
120.05702	1.9
124.05206	0.8
135.04469	3.4
135.05499	0.8
135.08078	32.4
135.09109	1.7
135.11720	2.4
136.02176	9.3
136.06210	9.3
136.07555	1.4
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	Unknow
Peak:m/z	Relative Intensity
69.48634	4.1
69.48955	1.0
70.02966	8.6
74.02445	100.0
74.79562	0.6
88.03999	48.2
92.05029	1.5
97.43736	0.6
106.07365	1.1
116.03470	2.7
134.04509	2.2
134.07150	12.1
135.05576	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	134.0451
Annotation	L-Aspartic Acid
Peak:m/z	Relative Intensity
55.61515	0.7
70.02954	9.2
70.55753	1.7
70.56112	1.6
74.02445	100.0
75.02791	0.8
88.03998	47.2
93.99797	0.7
101.00882	1.9
116.03465	2.8
117.03929	1.3
119.01933	3.3
121.01741	1.0
128.49495	1.2
131.01929	0.9
134.04482	1.7
137.50037	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0715
Annotation	2-Aminobenzimidazole
Peak:m/z	Relative Intensity
58.24719	0.2
65.03945	1.4
70.02960	0.2
70.06598	0.2
70.56064	0.5
74.02437	1.5
76.76426	0.2
79.05490	0.7
80.05017	0.4
81.06113	0.2
88.03990	0.7
92.05013	9.8
93.05799	1.8
106.06583	0.4
106.07328	0.2
107.04952	0.6
107.06087	2.1
117.04544	0.4
133.06343	0.4
134.07146	100.0
135.04506	0.2
135.05524	0.2
135.07491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03949	1.7
55.05513	2.6
56.97353	0.2
65.03933	0.6
67.05492	0.3
70.75984	0.3
70.76317	0.5
77.03912	0.6
79.05498	8.3
91.05484	24.3
92.05804	0.3
93.07047	6.3
95.04952	1.3
100.85931	0.2
102.64434	0.2
103.05470	5.0
105.07034	57.8
106.07373	0.9
107.08576	1.6
115.04822	0.2
115.05457	8.3
116.06233	2.0
117.07025	9.7
118.07813	9.4
118.84754	0.3
119.08134	0.3
129.07005	0.7
131.08575	8.0
133.10133	100.0
134.07129	0.7
134.10475	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	134.045
Annotation	L-Aspartic Acid
Peak:m/z	Relative Intensity
55.00657	0.6
70.02959	7.6
70.94995	0.9
74.02448	100.0
88.04000	50.6
106.06585	0.6
106.07354	0.9
107.04982	1.0
116.03435	3.2
134.04518	1.1
134.06049	1.9
134.07153	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03955	1.8
55.05490	2.6
62.62541	0.7
70.83905	0.7
70.84230	1.5
79.05499	7.1
88.53818	0.7
91.05488	21.5
92.06263	0.9
93.07066	6.1
95.04952	1.1
97.82980	0.6
101.15172	0.8
103.05484	4.3
105.07037	55.9
107.08595	1.5
114.23091	0.7
115.05473	7.5
116.06246	1.3
117.07024	9.2
118.07823	9.4
131.08594	8.2
133.10139	100.0
134.10510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.05514	3.0
65.03928	0.7
67.05502	0.5
69.60282	2.6
70.86444	0.3
77.03931	0.8
79.05501	7.2
91.05486	20.5
93.07047	5.5
94.05666	0.3
95.04993	0.7
98.21468	0.9
103.05480	4.2
105.07038	54.4
106.07365	0.7
107.08600	1.9
115.05462	7.0
116.06226	1.4
117.07024	7.7
118.07810	9.0
129.07007	0.8
131.08572	7.7
133.10138	100.0
134.10463	2.2
135.08032	0.4
144.89149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.24828	0.5
51.02392	0.5
53.03949	2.1
55.05515	4.5
65.03941	1.1
67.05513	1.4
68.82506	0.6
70.06607	0.6
70.34412	2.1
74.02452	1.4
77.03922	1.5
79.05501	10.9
88.02222	0.6
89.21670	0.5
91.05487	36.8
92.04998	0.6
92.05823	0.6
93.07058	6.3
95.04991	1.5
103.05475	6.8
104.13324	0.5
105.03435	0.8
105.07037	98.3
106.07373	1.9
107.08605	2.3
115.05464	9.3
116.06244	1.7
117.07024	10.3
118.04182	1.5
118.06521	0.6
118.07820	8.4
129.07018	0.9
131.08582	11.4
133.06561	3.9
133.10136	100.0
134.06229	0.9
134.07138	4.8
134.09573	0.9
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	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02373	0.7
53.03949	3.4
55.01875	1.1
55.05514	3.1
65.03942	1.1
67.05497	0.9
69.39381	1.4
69.39789	3.5
70.12851	0.5
74.02446	5.9
77.03938	1.3
79.05495	15.4
87.05592	1.6
88.04002	1.5
88.77901	0.7
91.05484	28.4
92.06307	0.6
93.07063	5.0
95.04976	2.3
98.20743	1.0
103.05463	10.1
104.06281	0.7
105.07036	100.0
106.07352	1.8
107.08591	1.6
109.24282	0.5
115.05460	8.4
115.06195	1.0
116.03423	0.9
116.06248	1.6
117.07021	8.7
118.04195	1.0
118.07813	9.7
118.75813	0.5
129.07024	0.9
131.08572	8.9
133.02850	1.1
133.06506	20.8
133.10135	92.2
134.06070	0.7
134.07137	12.8
134.10464	1.7
143.06049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03947	5.8
55.01883	3.3
55.05524	2.6
65.03940	2.4
66.04720	7.0
68.02652	0.7
69.03416	1.1
70.06590	1.3
71.06422	1.2
74.02435	2.2
77.03930	3.2
78.04703	1.1
79.05495	26.3
81.03423	0.8
86.44704	0.5
87.05618	0.6
89.03904	3.2
90.04704	13.2
91.05481	23.6
92.02621	1.2
92.04985	1.0
93.07054	3.8
94.04182	1.2
95.04978	5.5
102.04699	1.0
103.05471	21.4
105.03411	3.5
105.04527	2.8
105.07034	100.0
106.06656	0.6
106.07357	1.5
107.08628	0.7
108.93885	0.6
115.05451	6.8
116.06293	1.1
117.07009	6.3
118.04166	41.2
118.06512	1.2
118.07810	5.5
119.07247	0.8
131.04918	1.0
131.08572	6.5
133.02867	3.6
133.06500	66.2
133.10132	55.3
134.03661	1.4
134.06026	1.3
134.07135	10.6
134.09666	2.4
134.10527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03951	3.2
54.26090	0.4
55.01872	2.5
55.05502	1.7
57.03441	0.7
65.03931	0.6
66.04733	2.4
67.20243	0.3
68.02659	0.6
69.03416	1.1
70.06592	1.8
71.50990	0.6
72.30224	0.4
73.02914	0.4
74.02454	4.2
77.03937	1.7
79.05499	18.5
81.03390	0.4
85.02908	0.7
85.46538	0.3
87.05595	0.8
88.03966	0.7
89.03910	0.8
90.04710	4.2
91.05489	13.2
92.05009	0.9
93.05830	0.5
93.06549	0.4
93.07039	2.2
94.04204	0.4
95.04981	2.7
96.27495	0.3
100.02425	0.4
103.05476	15.2
105.03395	1.1
105.04567	2.6
105.07037	100.0
105.65849	0.3
106.06601	0.8
106.07364	1.9
107.04952	1.3
108.08125	2.1
115.05469	7.3
116.06268	0.4
116.97474	0.4
117.07040	3.1
118.04169	14.4
118.07813	2.2
126.27280	0.4
126.90405	0.4
131.04939	1.7
131.08572	3.9
133.02879	1.4
133.06502	73.6
133.10136	26.2
134.06038	0.7
134.07138	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.69987	0.4
51.02378	0.6
53.03951	3.8
55.01884	3.5
55.05511	0.5
66.04728	2.7
70.67139	1.4
74.02446	1.7
77.03938	1.2
77.66352	0.4
79.05498	18.8
89.03926	1.3
90.04710	5.5
91.05488	6.0
91.41946	0.4
92.02644	0.6
93.07038	0.5
94.04166	0.8
95.04974	2.3
95.05999	0.5
102.04726	0.5
103.05479	16.7
105.04514	1.3
105.07039	100.0
106.07366	1.4
107.04964	1.1
108.98537	0.4
112.97124	0.4
115.05463	6.0
116.06224	0.5
117.07049	0.8
118.04172	20.9
118.07809	0.5
131.04944	2.2
131.08594	1.5
132.05753	0.7
133.06503	92.4
133.10133	11.4
134.07089	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	133.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
51.70243	0.5
53.03939	1.3
54.04282	1.2
55.05499	0.5
66.04722	2.3
69.74883	2.9
78.03448	1.8
78.04714	6.4
79.05492	1.5
80.05033	1.3
91.04209	0.6
91.05504	3.6
92.02637	1.3
94.04219	0.7
95.04957	1.0
96.04488	0.7
96.05318	1.9
103.05399	0.6
104.05000	100.0
105.05804	58.9
105.06923	9.0
106.02912	1.8
106.04883	0.6
108.04453	0.6
115.05465	0.6
119.03694	3.1
120.04445	1.5
123.06813	5.4
132.04460	2.0
133.05316	30.0
133.06395	1.3
133.07565	1.8
133.10141	3.6
134.06010	2.0
134.07057	0.7
145.07574	0.7
153.40973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.061
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
55.01880	2.4
55.94839	0.7
57.03428	1.0
58.06628	0.9
59.82853	0.9
60.04518	1.9
66.52099	0.8
67.05505	1.1
69.05363	1.3
69.56748	0.7
70.02960	9.2
70.06603	4.9
70.73585	1.2
70.73946	2.0
71.05016	1.5
72.93803	0.7
73.02914	1.0
74.02446	100.0
81.01907	1.2
82.01447	2.1
85.08487	3.8
86.06073	1.0
87.05598	33.9
87.06369	5.6
88.03996	12.9
88.07626	1.0
90.09199	1.2
91.05518	1.0
100.02495	3.5
101.00876	0.9
103.02462	1.6
105.07033	2.3
116.03470	8.2
116.07114	1.0
118.03538	1.4
119.01922	1.8
131.01900	1.5
132.90518	1.2
133.03476	2.4
133.06113	1.9
134.11789	2.2
140.57320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01881	12.1
55.05502	2.3
56.05039	1.8
57.03428	4.6
58.06591	3.5
58.99878	3.2
59.04995	1.9
59.52173	1.6
61.01148	3.7
67.05505	2.4
69.03431	4.6
69.05363	1.7
70.02961	8.3
70.06601	22.1
70.07396	2.9
70.99845	1.7
71.01339	2.6
71.04998	2.7
71.25451	2.9
72.08141	4.7
73.02941	7.8
74.02448	100.0
74.06073	1.8
75.01903	2.2
76.02684	3.2
77.00910	1.5
79.05475	2.6
81.03412	2.3
82.01444	5.5
82.02690	1.7
83.01339	6.3
84.08157	9.6
85.01408	6.3
85.02901	2.4
85.08483	35.6
86.08786	1.7
87.02691	5.6
87.04471	4.0
87.05598	29.7
87.06390	3.4
87.10037	6.5
88.02657	4.8
88.04009	10.8
90.09183	2.1
91.05490	3.4
94.02671	6.5
95.04938	2.1
96.02419	2.2
97.03188	1.8
100.02495	15.1
100.52418	2.6
101.00878	11.1
101.02364	1.6
101.93350	1.8
102.02405	2.6
103.02433	16.4
103.03168	4.0
104.10732	4.7
105.07025	7.8
107.03988	1.9
111.02930	1.4
113.00848	1.8
114.04047	2.7
115.02442	7.5
115.53880	1.5
116.03484	8.1
116.07085	4.4
118.03532	3.5
119.01927	41.7
121.03487	7.3
128.01938	1.6
130.54123	3.6
131.01889	5.1
132.90489	4.5
133.03516	24.6
133.05035	3.9
133.06387	2.4
133.09412	4.8
134.03586	3.2
134.06018	2.8
134.11758	4.0
137.02979	9.1
142.03542	3.2
143.01875	1.9
145.03516	1.7
147.05096	1.8
149.02910	1.7
151.04547	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	133.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01881	12.1
55.05502	2.3
56.05039	1.8
57.03428	4.6
58.06591	3.5
58.99878	3.2
59.04995	1.9
59.52173	1.6
61.01148	3.7
67.05505	2.4
69.03431	4.6
69.05363	1.7
70.02961	8.3
70.06601	22.1
70.07396	2.9
70.99845	1.7
71.01339	2.6
71.04998	2.7
71.25451	2.9
72.08141	4.7
73.02941	7.8
74.02448	100.0
74.06073	1.8
75.01903	2.2
76.02684	3.2
77.00910	1.5
79.05475	2.6
81.03412	2.3
82.01444	5.5
82.02690	1.7
83.01339	6.3
84.08157	9.6
85.01408	6.3
85.02901	2.4
85.08483	35.6
86.08786	1.7
87.02691	5.6
87.04471	4.0
87.05598	29.7
87.06390	3.4
87.10037	6.5
88.02657	4.8
88.04009	10.8
90.09183	2.1
91.05490	3.4
94.02671	6.5
95.04938	2.1
96.02419	2.2
97.03188	1.8
100.02495	15.1
100.52418	2.6
101.00878	11.1
101.02364	1.6
101.93350	1.8
102.02405	2.6
103.02433	16.4
103.03168	4.0
104.10732	4.7
105.07025	7.8
107.03988	1.9
111.02930	1.4
113.00848	1.8
114.04047	2.7
115.02442	7.5
115.53880	1.5
116.03484	8.1
116.07085	4.4
118.03532	3.5
119.01927	41.7
121.03487	7.3
128.01938	1.6
130.54123	3.6
131.01889	5.1
132.90489	4.5
133.03516	24.6
133.05035	3.9
133.06387	2.4
133.09412	4.8
134.03586	3.2
134.06018	2.8
134.11758	4.0
137.02979	9.1
142.03542	3.2
143.01875	1.9
145.03516	1.7
147.05096	1.8
149.02910	1.7
151.04547	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01598	0.7
51.02377	2.4
51.70987	0.5
52.36448	0.5
53.03715	1.1
53.03951	17.3
54.17700	0.5
55.01860	0.5
56.51269	0.5
57.19844	0.5
69.27330	4.9
77.03941	6.1
78.03462	2.5
78.04723	0.9
81.03409	1.8
83.14510	0.5
84.08148	1.2
86.06083	0.6
86.09716	0.6
91.05484	1.8
95.04977	15.7
96.04494	7.1
96.30472	0.5
104.05005	63.4
105.04548	8.9
105.05791	9.2
105.06999	1.2
106.02950	1.1
121.44343	0.6
123.06850	0.9
132.04465	100.0
133.05304	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
59.61995	0.5
65.03950	1.0
69.63544	2.5
69.63952	1.4
70.03768	1.3
84.08145	1.5
85.02932	0.7
85.04836	1.4
85.08479	10.2
85.08947	0.8
86.06070	0.8
91.05487	100.0
91.71452	0.7
92.05828	2.5
95.04972	2.8
98.16466	0.6
98.21484	1.4
103.05476	58.8
104.05806	1.1
105.04509	1.4
105.07021	1.3
113.07950	3.5
115.05465	10.9
116.06245	30.3
117.06549	0.6
122.33009	0.7
128.06230	1.5
129.07008	16.6
131.04942	5.3
131.08571	97.3
131.16251	0.8
132.08893	2.1
133.06503	1.1
143.06036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0865
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
55.05513	0.3
56.05039	3.1
57.03432	0.3
68.03336	0.2
70.06600	1.5
70.60555	0.4
70.60888	0.2
71.04995	0.5
80.63506	0.2
82.01476	0.2
84.08150	100.0
85.08469	1.1
89.50229	0.2
98.20911	0.2
100.00135	0.2
100.02518	0.3
101.00876	0.3
112.07606	0.3
130.08655	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	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21104	0.6
55.05510	0.7
56.05037	6.8
57.03438	1.1
57.07078	21.7
69.03434	18.4
69.07064	2.0
69.40356	4.6
70.06593	1.4
71.05002	1.2
74.09727	12.5
82.06565	0.7
84.04510	46.1
84.08147	100.0
85.02905	7.0
85.08514	1.4
94.97187	0.6
95.01340	1.5
102.05540	2.6
103.05466	3.5
112.07611	40.7
113.07975	1.0
114.54951	0.7
130.05025	7.7
130.06522	7.2
130.08644	17.9
130.15919	25.5
144.26077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
53.94520	0.5
55.01875	2.0
55.05517	29.4
55.09608	0.6
56.05040	5.2
57.03422	1.0
58.06588	1.9
59.74055	0.6
65.03936	1.2
66.79583	0.5
67.05500	1.7
69.03435	4.4
69.81356	2.7
70.06601	8.3
71.04981	1.2
79.05502	13.9
80.05022	7.1
81.03423	5.9
81.07066	37.0
82.06578	1.2
83.04984	0.9
83.07372	1.9
83.08629	8.9
84.04513	2.5
84.08146	4.6
84.13844	0.5
84.93835	0.6
91.05502	4.1
93.05795	4.6
96.04504	5.3
96.08110	0.6
97.05287	22.2
98.06073	16.2
98.09704	10.8
98.21490	1.0
99.04469	0.9
102.94854	0.6
108.04499	6.6
108.08130	18.8
109.02900	6.3
109.06532	28.5
111.06828	2.0
118.15050	0.5
121.01678	1.0
123.07967	0.5
126.05550	6.8
126.09168	100.0
126.12791	4.1
127.03933	13.3
127.09513	1.3
137.78041	0.6
142.82523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51597	0.3
51.70809	0.2
51.81073	0.3
52.09832	0.2
58.99858	0.3
59.16066	0.2
70.19468	0.8
70.99855	0.7
82.01434	0.7
82.99847	6.9
83.01504	1.9
83.99918	0.3
84.01192	0.4
89.00913	0.3
92.34602	0.2
96.04483	0.5
100.02509	1.3
101.00887	58.8
101.02547	3.0
102.00961	1.4
102.02252	0.5
111.00450	0.5
118.03510	0.3
119.01926	100.0
119.34222	0.2
120.02045	2.3
120.03268	0.3
121.02339	0.4
124.02475	1.2
124.03965	0.8
133.03528	0.2
137.02962	15.0
138.03085	0.6
142.03496	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01374	0.2
60.52048	0.2
63.14043	0.2
64.50668	0.2
69.78081	0.2
70.33833	0.8
82.01434	0.6
82.99847	6.9
83.01523	1.0
86.32864	0.3
89.57092	0.2
100.02489	1.0
101.00884	54.8
101.02510	1.4
102.00987	0.8
102.02239	0.4
111.00435	0.3
115.80419	0.2
116.09900	0.2
118.03521	0.3
119.01923	100.0
119.79113	0.2
120.01983	1.5
121.02406	0.4
124.02457	0.7
124.03956	0.3
133.03467	0.3
137.02957	16.2
142.03510	5.1
142.68463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74416	0.2
58.99863	0.3
59.71816	0.2
66.79062	0.2
69.24027	1.4
69.24453	0.9
74.40913	0.2
77.19712	0.2
80.25395	0.2
82.01443	0.5
82.99841	6.7
83.01521	0.9
100.02475	1.1
101.00885	56.5
101.02554	1.9
102.00939	1.2
102.02287	0.3
111.00445	0.4
119.01925	100.0
120.02008	2.2
124.02457	0.8
132.44560	0.3
137.02963	15.2
138.03108	0.4
142.03505	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03950	2.9
55.01867	0.5
55.05515	5.0
57.07074	3.3
58.38828	0.2
65.03934	1.5
66.04736	0.2
67.05508	20.9
68.05842	0.2
69.07075	2.2
70.90707	0.7
77.03922	1.3
78.03465	1.1
79.05495	17.0
80.05019	3.3
80.05812	0.3
81.03425	0.7
81.07059	100.0
82.01444	0.6
82.07372	1.1
83.83923	0.2
91.05486	0.5
93.07047	2.8
94.07837	0.7
95.04977	6.9
95.08611	13.3
96.04494	5.0
96.05106	0.3
100.02467	1.3
105.03402	0.9
105.04533	0.8
105.07035	1.1
106.02919	0.3
108.05725	1.1
108.09393	0.6
111.05486	0.3
112.03947	0.3
118.03556	0.5
121.10160	0.8
123.04443	9.8
123.05556	6.4
123.08073	5.9
123.11709	13.2
124.03956	2.6
137.93495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.7
51.02371	3.0
53.03950	10.4
55.01876	2.6
55.05518	12.3
57.07080	5.4
65.03943	3.5
66.04725	0.7
67.05509	58.9
68.05855	0.8
69.03423	1.7
69.07063	3.4
69.60888	3.8
74.93570	0.6
77.03938	5.7
78.03468	3.6
79.05499	27.3
80.05024	21.8
80.05764	0.8
80.06281	1.6
81.03423	3.0
81.07063	100.0
82.01439	3.8
82.07398	0.7
85.86237	0.5
91.05478	4.3
92.18874	0.6
93.07050	11.1
94.07819	0.7
95.01306	0.6
95.04977	43.0
95.08613	54.2
96.04497	31.5
96.08127	1.1
100.02495	13.8
101.00952	0.8
103.05489	2.7
105.03408	4.9
105.04510	4.4
105.07047	13.3
106.02907	0.8
107.04963	6.4
108.05773	33.4
108.09400	0.9
111.05592	0.8
112.03973	1.9
118.03542	6.9
119.01931	2.3
121.06519	4.3
121.10141	1.7
123.04446	42.0
123.05566	43.1
123.08076	98.2
123.11707	26.0
124.03963	23.2
124.07629	2.0
124.08436	1.1
135.05577	0.8
140.03395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16742	0.6
51.02383	1.5
53.03950	6.9
55.01876	1.9
55.05512	6.7
57.07077	6.4
58.28934	0.6
65.03940	2.8
66.40710	0.5
67.05507	27.9
68.05022	1.2
69.07063	4.4
69.50601	3.6
77.03939	3.5
78.03455	2.4
79.05495	18.8
80.05027	10.9
81.03422	1.6
81.07058	100.0
82.01453	2.8
82.07407	1.1
91.05518	0.8
93.07070	4.1
94.07851	1.4
95.04974	31.3
95.08608	24.3
96.04496	15.8
96.08138	0.8
100.02483	9.1
105.03395	2.8
105.04509	3.6
105.07008	1.4
106.02944	0.8
107.04950	1.1
107.18393	0.7
108.05716	3.3
112.03967	1.7
118.03535	2.6
119.01926	1.7
121.10117	1.7
123.04442	33.2
123.05554	20.0
123.08069	12.2
123.10824	1.2
123.11713	21.1
124.03962	10.2
124.04790	0.6
124.07607	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01593	0.8
51.02374	2.8
53.03949	11.5
55.01872	3.0
55.05516	10.2
57.07072	5.0
57.61533	0.8
65.03931	3.3
67.05507	50.3
68.05039	0.9
69.03433	2.1
69.07050	2.8
70.02459	1.8
70.02850	1.3
77.03928	7.9
78.03448	4.5
79.05492	23.7
80.05019	26.8
80.06277	1.5
81.03415	2.4
81.07056	94.0
82.01450	4.8
82.07396	1.1
91.05466	3.2
93.07052	10.3
94.07836	0.9
95.04971	45.6
95.08609	43.6
96.04493	35.9
96.08922	1.2
100.02485	16.8
103.05484	2.4
105.03394	7.2
105.04488	5.0
105.07030	9.3
106.02886	2.1
107.04978	4.0
108.05759	21.2
112.03955	2.3
118.03532	7.5
119.01938	1.8
119.56712	0.7
121.06498	3.0
121.10084	1.7
123.04435	60.5
123.05550	50.6
123.08068	100.0
123.11703	17.9
124.03957	17.2
124.04827	1.8
124.07597	2.1
124.08421	1.0
140.03445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
51.02379	5.7
52.45438	0.4
53.03947	8.7
55.01865	1.7
55.05499	1.2
57.07069	0.8
65.03938	1.8
65.72617	0.4
67.05508	14.6
70.04768	2.2
72.97170	0.4
77.02988	0.5
77.03931	12.9
78.03458	1.5
79.05486	3.8
80.05019	7.0
81.03442	0.9
81.07059	16.9
82.01461	2.2
86.11704	0.4
93.07050	0.8
95.04974	21.3
95.08604	3.8
96.04498	10.2
97.02901	0.4
98.20813	0.5
100.02490	4.5
105.03400	15.4
105.04484	5.2
105.06989	0.6
106.02951	0.6
108.05738	0.5
118.03531	1.8
123.04437	100.0
123.05524	12.2
123.08066	6.2
123.09148	0.7
123.11703	3.5
124.03958	5.1
124.04789	1.2
124.07638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02375	2.3
53.03947	9.1
55.01868	2.2
55.05266	1.1
55.05514	12.5
57.07088	5.7
58.06303	0.8
62.29636	0.8
65.03944	3.1
67.05509	50.7
69.03423	1.4
69.07059	3.6
69.28071	7.3
77.03924	3.6
78.03455	3.1
79.05500	25.7
80.05025	10.2
80.06280	2.6
81.03419	1.5
81.07060	100.0
82.01444	3.3
91.05467	5.3
93.07050	10.9
94.02891	0.9
95.04977	23.9
95.08613	55.9
95.57773	0.9
96.04497	15.8
100.02506	6.3
103.05469	1.7
105.03391	3.5
105.04513	3.4
105.07031	12.3
106.02946	0.9
107.04974	6.1
108.05754	35.7
108.09404	1.4
113.16235	0.9
114.63126	0.9
118.03528	1.3
119.01884	1.1
119.23573	1.0
121.06522	3.9
121.10165	2.2
123.04440	24.0
123.05556	19.2
123.08074	88.7
123.11715	25.4
124.03954	8.9
124.07596	1.1
124.08431	2.1
138.99944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01595	1.1
51.02383	5.1
51.65626	0.3
53.03713	0.6
53.03949	8.4
53.73291	0.3
55.01862	1.5
55.05506	0.4
65.03936	1.0
67.05508	10.2
70.76373	1.1
75.23014	0.3
77.03931	14.0
78.03443	1.1
79.05492	2.8
80.04636	0.5
80.05027	5.3
81.03407	0.8
81.07055	9.2
82.01447	1.9
90.02611	0.4
93.07046	0.9
95.04974	17.5
95.08617	2.2
96.04491	5.0
100.02480	4.3
105.03399	14.8
105.04488	4.6
105.07038	0.5
108.05766	0.8
118.03519	0.8
123.04436	100.0
123.05518	10.0
123.08051	3.6
123.11721	1.4
124.03960	4.2
124.04788	1.2
135.60378	0.4
136.03297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.1
51.02378	4.9
52.18527	0.3
53.03711	0.7
53.03948	8.8
55.01871	1.8
55.05504	1.4
55.96305	0.4
57.07077	0.9
58.29503	0.5
65.03936	1.4
67.05508	12.0
71.05885	0.5
77.03934	15.0
78.03458	1.1
79.05500	3.6
80.05015	5.3
81.03413	1.3
81.06588	0.9
81.07061	17.1
82.01439	1.9
87.82380	0.4
93.07039	0.6
95.04971	21.0
95.08613	3.6
96.04496	7.7
98.50715	0.4
100.02486	5.5
105.03394	14.2
105.04473	4.1
108.05725	0.5
109.02013	0.4
118.03522	1.4
119.01905	0.5
121.35233	0.4
123.04437	100.0
123.05526	11.7
123.08041	5.7
123.11676	3.3
124.03967	5.3
124.04788	1.0
124.07623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01597	0.9
51.02382	4.6
52.66282	0.4
53.03952	6.8
55.01877	1.2
65.03946	0.8
67.05511	7.7
69.20537	3.9
69.20874	0.9
76.00397	0.4
77.03935	12.7
79.05480	0.6
80.05009	1.1
81.07064	1.7
95.04978	12.2
95.08618	0.5
96.04488	1.5
100.02496	0.7
104.21806	0.4
105.03403	13.2
105.04488	3.1
123.04440	100.0
123.08060	1.0
124.03960	1.2
124.04802	1.3
133.40582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01593	1.2
51.02383	4.2
53.03711	0.4
53.03950	7.3
53.66443	0.4
55.01870	1.1
55.05509	0.6
65.03935	1.2
65.34554	0.3
67.05508	9.2
70.55477	1.0
77.03931	13.6
78.86370	0.4
79.05489	1.3
80.05016	2.0
81.03412	0.4
81.07054	6.3
82.01448	0.5
84.27535	0.3
87.76134	0.3
88.64030	0.3
95.04974	11.8
95.08604	1.4
96.04503	2.5
96.05024	0.4
100.02477	1.3
105.03398	13.3
105.04472	3.4
106.02913	0.4
123.04433	100.0
123.05460	3.8
123.08018	2.2
123.11707	1.2
124.03927	1.4
124.04768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61959	0.9
58.99852	2.1
67.05476	0.8
67.14181	0.7
70.10380	3.5
77.03937	1.5
80.05023	4.2
82.01450	58.0
82.99821	1.9
83.01549	1.0
90.44563	0.7
95.04964	3.3
96.04488	2.4
98.20817	1.1
100.02489	100.0
101.00887	19.8
101.02596	2.1
103.54797	1.0
105.03353	1.3
106.02925	0.9
114.03999	0.8
115.79841	0.8
118.01128	2.6
118.03533	24.6
119.01933	38.7
123.04398	6.0
123.05513	7.1
124.03939	3.1
130.43219	0.8
137.02948	6.8
142.03490	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02381	1.8
51.40797	0.4
53.03950	20.0
55.01872	1.5
55.05517	5.4
64.35109	0.4
65.03945	3.0
67.05508	6.2
70.85735	0.9
77.03933	4.3
78.04703	0.5
79.05497	35.3
80.05845	0.5
81.03427	2.8
81.07060	1.7
91.05487	63.8
92.05824	1.0
92.47558	0.4
93.07047	100.0
94.07377	1.5
95.04976	20.2
103.05473	20.3
104.05815	0.6
105.03870	0.4
105.04526	10.8
105.07037	24.2
106.07845	2.3
119.07784	0.6
119.08570	3.3
121.02886	3.7
121.03993	1.7
121.06512	24.6
121.10148	18.6
121.11038	0.9
122.06038	0.9
123.08094	1.2
133.07639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01601	0.6
51.02384	2.5
53.03950	24.1
53.04208	1.2
53.58180	0.5
55.01873	3.7
55.05504	1.8
65.03947	25.4
67.05499	2.3
68.99791	1.3
69.03403	0.5
71.01349	0.9
71.08543	1.2
72.35391	0.5
77.03930	6.1
78.04704	1.4
79.05499	42.6
81.03420	2.9
81.07066	0.9
82.51915	0.5
83.01321	0.6
91.05486	63.1
92.05819	0.9
93.03425	0.9
93.04524	0.8
93.07050	61.2
94.06596	0.7
94.07365	0.9
95.04977	23.8
102.04682	1.1
103.05476	74.8
104.05789	1.5
105.04537	13.1
105.07037	100.0
106.07851	7.7
107.04963	5.6
111.04443	6.9
118.06523	0.6
119.08587	14.4
120.05714	0.8
121.02005	1.3
121.02882	29.0
121.03991	13.5
121.06515	64.8
121.10149	48.0
122.03230	0.7
122.06027	1.8
122.07220	1.1
122.09675	1.4
122.10506	0.8
123.08068	7.5
133.07637	8.6
138.06787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01584	0.6
51.02376	1.5
53.03710	0.8
53.03951	12.9
55.01867	2.0
55.05505	1.6
55.78149	0.4
56.70882	0.4
62.00166	0.4
65.03611	0.8
65.03944	11.9
65.82759	0.4
67.05490	1.4
68.99786	0.8
71.51375	0.7
77.03927	3.0
78.04713	0.4
79.05498	41.2
80.05017	0.7
80.05830	0.7
81.03434	1.3
81.07057	0.7
84.93440	0.4
85.72652	0.4
91.05486	29.1
93.03432	0.7
93.07050	29.6
94.07329	0.5
95.04374	0.9
95.04975	12.1
102.04675	0.7
103.05474	34.2
105.04527	6.8
105.07037	100.0
106.07862	7.7
107.04964	8.9
111.04433	3.2
118.06694	0.4
119.08591	15.7
120.05721	0.7
121.02013	0.9
121.02889	15.1
121.03996	5.3
121.06518	26.2
121.10149	52.7
122.06021	0.8
122.07358	2.2
122.09689	0.6
122.10485	1.0
123.08077	7.7
133.07625	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01598	0.9
50.21377	0.7
51.02380	3.3
53.03950	29.6
55.01861	3.5
55.05515	4.4
65.03943	8.0
67.05505	2.0
69.96018	1.5
69.96426	2.8
74.49544	0.7
77.03928	6.0
78.04739	1.1
79.05499	43.4
80.05809	0.8
81.03419	3.8
81.07064	2.6
91.05488	83.4
92.05825	1.2
93.04516	1.2
93.07050	100.0
93.10389	0.7
94.06571	1.9
94.07381	2.1
95.04974	25.9
102.04694	1.3
103.05476	79.1
104.05812	3.3
105.04528	15.9
105.07039	78.6
106.07879	6.2
111.04427	1.4
119.07807	1.3
119.08593	15.4
120.05709	1.0
121.02908	7.3
121.04059	3.8
121.06514	61.7
121.08353	4.7
121.10146	44.9
121.11054	1.1
122.06019	2.5
122.06844	1.3
122.09666	1.6
122.17804	0.7
123.08092	6.4
133.07614	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02391	1.6
51.80328	0.4
53.03955	12.1
55.01885	0.9
55.05515	0.9
63.91086	0.3
65.03952	1.8
67.05520	0.5
70.37378	0.9
70.37775	0.8
77.03928	3.9
79.05502	34.7
81.03436	1.6
81.07051	0.6
91.05492	30.6
92.05798	0.5
93.04520	0.4
93.07053	31.2
94.07386	0.4
95.04978	13.1
95.05572	0.8
98.86413	0.5
102.04720	0.8
103.05479	44.4
104.05821	0.6
105.04543	7.6
105.07040	100.0
106.07870	5.7
119.08590	14.1
120.05738	0.8
121.02882	1.5
121.03980	0.8
121.06524	24.5
121.10154	47.5
122.06010	0.9
122.06815	0.7
122.09698	0.6
123.08074	8.1
133.07637	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	121.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.7
51.81658	1.2
52.96012	1.5
53.03952	31.0
55.01871	7.6
55.05508	2.0
65.03947	76.0
67.05511	1.6
69.40909	2.6
69.41312	6.7
77.03922	7.5
78.04703	2.2
79.05501	11.4
80.02623	1.6
81.03426	3.3
82.94032	1.3
91.05490	79.9
93.03410	13.8
93.07050	68.1
94.06570	1.7
95.04979	29.0
98.03658	2.1
98.20706	2.1
102.04676	2.4
103.05477	91.4
104.05795	1.5
105.04524	18.7
105.07048	19.5
111.04449	8.7
119.08636	2.9
121.02879	100.0
121.03987	26.4
121.06513	91.6
121.08408	2.5
121.10132	10.9
122.06084	2.4
123.08076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03956	4.5
60.14686	0.4
70.99586	0.7
77.03921	1.7
79.05497	1.2
80.05016	0.6
80.68565	0.5
81.03429	0.8
91.05488	10.5
93.07050	16.9
95.04980	3.8
102.04663	0.9
103.05475	87.8
104.05814	1.2
105.04530	2.3
118.06544	1.8
119.07327	1.1
120.08114	100.0
121.06544	1.0
121.08460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01563	0.8
51.02380	1.7
51.37728	0.7
52.41249	0.6
53.03713	1.3
53.03949	19.9
55.01877	4.3
65.03942	77.9
66.04268	0.8
69.39936	5.2
77.03938	5.8
79.05497	11.2
80.02621	0.9
80.62948	0.7
81.03411	2.3
82.26880	0.7
91.05486	55.2
92.05813	0.7
93.03402	13.5
93.07047	47.8
94.06545	0.8
95.04971	20.6
98.03663	2.0
98.06633	0.7
98.20760	1.3
102.04696	1.6
103.05471	68.2
104.05824	1.2
105.04520	12.0
105.05215	0.9
105.07032	21.8
106.07829	1.6
111.04455	8.9
113.49187	0.9
119.08602	3.4
121.02871	100.0
121.03976	26.8
121.06506	61.3
121.10131	10.6
122.03200	1.6
122.06841	0.8
123.08112	1.8
133.07602	1.3
135.27959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.74475	0.5
53.03951	1.9
54.04292	1.1
56.05056	0.5
58.93791	0.6
65.03950	4.6
69.76524	3.0
77.03930	0.7
78.03461	0.9
78.04704	0.7
79.05501	3.5
82.83146	0.5
91.05486	100.0
92.04990	0.6
92.05827	0.9
93.07046	3.0
95.04969	1.6
96.04491	3.9
98.20766	1.0
103.05473	6.4
104.06255	5.6
105.04559	0.6
106.04865	0.7
115.05445	3.1
116.06184	0.6
117.07018	11.9
119.04978	2.7
119.06074	3.1
119.06876	2.0
119.08586	36.3
120.08138	0.8
127.18291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0447
Annotation	Anthranil
Peak:m/z	Relative Intensity
51.02373	0.9
53.03961	3.6
56.05038	2.1
58.58845	0.6
65.03944	30.7
66.78612	0.7
66.97009	0.6
71.51779	1.1
73.10718	0.6
74.06089	4.8
77.03944	1.0
79.83272	0.7
81.03419	1.0
91.05489	10.6
91.06024	1.0
92.04562	3.7
92.05022	42.1
92.05853	2.4
93.03416	7.7
93.07050	6.3
95.04958	3.2
96.95060	0.7
102.09174	1.1
103.05482	9.5
105.04533	2.2
110.06078	3.8
111.04454	10.6
118.69937	0.7
120.04490	100.0
120.08149	5.6
120.08920	1.5
120.10198	0.9
121.04061	1.2
121.04844	1.0
121.06530	9.4
130.65852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02387	0.5
53.03953	3.1
55.01866	0.6
59.11472	0.5
65.03942	5.6
67.05505	0.6
69.38046	3.6
69.38457	0.9
77.03949	0.7
78.04704	0.9
79.05495	6.3
91.05489	100.0
92.05820	1.0
93.07047	4.2
95.04969	2.5
96.04491	1.4
103.05478	13.0
104.06256	11.1
105.04515	1.8
109.06519	2.9
115.05466	6.3
117.07029	38.2
118.07359	0.6
119.04979	4.0
119.06134	4.7
119.08591	75.2
120.08900	1.1
121.06499	0.5
131.06067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02378	0.5
53.03951	2.0
54.04282	0.3
60.38361	0.2
65.03942	3.6
65.59999	0.2
67.05517	0.6
74.09390	0.2
77.03931	0.4
78.03476	0.4
78.04722	0.7
79.05500	6.9
89.45798	0.2
91.05487	100.0
92.05834	1.2
93.07052	3.3
95.04981	2.1
96.04492	2.2
96.05093	0.3
96.05357	0.4
102.04665	0.2
103.05474	9.0
104.06261	6.8
104.06975	0.3
105.04519	0.9
109.06533	0.6
115.05471	4.3
117.07024	23.9
118.07316	0.4
118.44850	0.2
119.05033	1.2
119.06205	2.0
119.08586	48.4
120.05600	0.2
120.08155	0.3
120.08932	0.9
131.06088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02382	0.9
53.03944	2.2
54.86055	0.8
57.55947	0.7
65.03960	4.0
67.00108	0.8
70.76318	1.7
70.76687	1.4
73.42373	0.8
74.45152	0.7
77.03916	0.9
78.04716	1.2
79.05507	6.3
91.05489	100.0
92.05847	1.0
93.07056	6.0
94.49859	0.8
95.04960	2.9
103.05473	14.7
104.06261	12.1
105.04518	1.7
115.05450	6.9
117.07027	43.2
119.04929	1.7
119.06162	1.5
119.08589	83.2
120.08923	1.8
131.06068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
53.21111	0.4
54.04271	0.7
55.66153	0.4
65.03952	3.7
65.54284	0.4
69.19036	0.4
71.04130	0.4
71.40393	0.7
77.03941	0.7
78.03457	0.7
78.04744	0.4
79.05502	4.2
91.05487	100.0
91.64697	0.5
92.05826	1.1
93.07036	2.8
95.04984	1.7
96.04501	4.0
96.05343	1.1
103.05473	6.0
104.06250	7.4
105.04525	0.6
106.04900	0.4
109.06516	0.6
115.05435	2.6
117.07029	13.0
119.04944	1.6
119.06167	2.9
119.06854	1.9
119.08587	42.9
120.05557	0.5
120.08932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03955	0.8
54.04279	0.4
65.03946	17.5
69.95977	1.7
77.93422	0.4
79.05479	1.1
91.05489	100.0
92.05017	0.9
92.05821	1.2
93.07034	0.5
95.04964	0.7
96.04499	1.4
103.05488	2.9
104.06258	1.0
110.42914	0.4
112.18285	0.3
115.05466	0.4
117.07021	2.4
119.04955	27.6
119.06017	1.8
119.06845	1.1
119.08588	8.9
120.04494	0.6
120.05504	1.1
120.08119	1.3
120.08961	0.4
129.04517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02382	0.7
53.03949	0.9
55.01854	0.4
56.96564	0.5
65.03944	20.2
69.74868	0.9
69.75269	1.6
74.06110	0.6
77.93388	1.1
78.93128	0.6
79.05482	1.0
91.05486	100.0
92.05011	8.1
92.05807	2.3
96.04492	1.1
98.21478	0.8
99.50083	0.4
103.05478	1.8
104.06248	1.1
115.05477	0.6
117.07034	1.7
119.04952	27.0
119.05991	1.3
119.06786	3.5
119.08575	7.3
120.04472	3.5
120.05278	0.7
120.08114	1.2
138.42133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63781	2.4
58.18483	2.8
59.37754	2.6
62.44590	2.7
65.52197	4.2
66.53284	3.0
67.05505	5.5
69.03444	5.3
71.36041	2.8
80.02905	3.6
82.01441	10.7
82.99836	7.8
84.01261	2.8
85.01402	6.2
89.51516	3.3
91.05512	5.3
93.07079	2.7
93.53407	2.5
100.02479	16.0
101.00891	57.1
101.02569	6.1
103.02442	9.4
106.95709	3.1
106.98630	2.9
107.05273	6.6
107.55366	3.4
116.98419	2.7
119.01928	100.0
129.04030	2.9
137.02959	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	118.0867
Annotation	Betaine
Peak:m/z	Relative Intensity
51.02386	1.2
53.03715	0.7
53.03954	12.1
54.66436	0.6
55.01877	0.8
55.05512	2.4
56.00534	0.5
58.06604	43.6
59.05000	0.7
59.07387	38.7
60.08170	0.7
61.02597	0.5
65.38594	0.4
67.05462	0.6
69.03430	3.0
70.06594	1.4
70.34851	1.7
70.35223	1.1
72.08163	11.0
77.03931	3.2
78.01944	1.4
81.03420	1.2
82.01452	4.1
84.08144	1.5
85.53741	0.6
86.03548	0.9
87.02482	4.0
87.52524	0.7
91.05492	1.2
94.06568	0.9
94.54252	1.5
95.04381	0.9
95.04972	11.8
96.03004	0.6
97.91787	0.5
100.02489	6.7
102.02257	0.7
103.02454	0.6
103.54810	0.7
105.04523	5.4
106.05064	4.7
106.55120	1.1
112.07625	5.7
115.05572	0.7
118.03514	1.7
118.06567	13.3
118.08665	100.0
118.12316	1.3
119.01942	1.0
119.09003	0.8
128.78023	0.6
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
51.02389	11.3
53.03951	82.1
53.04204	4.3
55.01872	4.1
58.06605	3.8
59.93106	2.8
62.20396	1.9
62.46407	1.6
65.03951	2.5
65.92622	1.8
69.66705	9.5
70.06582	4.6
71.05008	4.5
72.08157	6.3
74.40060	1.9
76.93385	11.8
77.03938	21.4
79.05503	3.9
81.03419	9.5
85.46078	1.7
91.05486	70.6
92.05824	4.7
93.07055	3.1
94.94418	4.0
95.04974	67.8
95.05569	3.6
100.07658	2.9
103.05475	4.9
104.06254	6.8
105.04518	46.2
115.05495	4.3
116.05793	16.2
117.07023	15.2
118.06567	100.0
118.07371	16.3
118.08688	6.6
119.08587	26.0
119.09365	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
51.50763	0.2
53.03940	0.2
53.04448	0.2
55.05508	0.8
58.06602	38.8
59.05009	0.4
59.07384	37.4
60.08161	0.4
67.05525	0.1
70.06608	0.4
71.05021	0.2
71.50266	0.2
71.50684	0.1
72.08160	5.5
72.80527	0.1
82.01461	0.3
82.17255	0.1
86.03551	0.6
87.02471	1.0
87.52543	0.2
87.75138	0.1
95.04942	0.3
100.02474	0.3
101.02563	0.1
109.67170	0.1
118.08661	100.0
118.12286	0.9
119.09003	0.6
119.61060	0.1
133.03528	0.2
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
51.02375	8.1
53.03950	77.0
55.01867	5.6
55.05505	7.0
58.06604	23.1
59.07391	12.3
59.93119	13.0
64.13401	2.0
65.03940	4.1
69.30000	19.0
70.06586	7.4
71.04988	7.5
72.08154	35.6
76.93370	87.3
77.03927	11.2
79.05511	3.3
81.03425	9.7
91.05484	76.2
93.07037	2.3
94.94410	35.2
95.04974	61.9
96.04531	3.5
100.07594	10.4
103.05485	5.2
105.04520	42.0
106.02924	2.3
107.46032	2.1
112.95427	2.6
115.05474	2.5
116.05791	5.3
117.07022	10.6
117.95987	13.2
118.06554	100.0
118.07331	6.0
118.08654	39.6
118.96802	4.9
119.04936	3.2
119.06096	3.6
119.06843	2.6
119.08577	28.6
135.97002	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02379	1.2
53.03951	6.5
58.06601	2.3
59.07367	1.3
59.93097	3.3
62.90775	0.9
65.03935	5.3
70.06584	2.5
70.28787	1.1
70.79897	2.4
71.04988	2.3
72.08171	4.9
72.52444	1.0
76.93372	27.3
77.03908	1.7
91.05484	65.8
94.94412	7.0
95.04976	6.4
96.60191	0.9
100.07626	2.4
105.04524	3.4
117.05757	5.5
117.95988	3.5
118.06548	100.0
118.08647	5.8
118.85054	0.9
118.96765	1.5
119.04958	7.5
119.06899	1.1
119.08597	2.3
135.96979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	10.5
53.03714	4.4
53.03952	73.7
55.01868	3.8
58.06600	9.3
59.07377	4.7
59.82747	2.4
59.83059	2.5
71.05003	3.7
72.08170	11.0
76.93379	28.3
77.03938	12.6
81.03432	5.2
87.03603	2.1
87.47582	2.2
91.05492	53.3
92.05816	8.1
94.94430	6.7
95.04977	62.8
98.21632	5.2
100.07652	2.8
103.05477	6.6
104.06251	3.3
105.04525	37.4
115.05474	8.4
116.05781	15.1
117.07024	49.6
117.95937	2.4
118.05704	5.3
118.06560	100.0
118.07343	7.1
118.08604	17.5
118.96812	2.8
119.08581	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	1-AMINOCYCLOBUTANE CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03944	0.5
56.05041	0.2
68.05026	0.5
70.02983	0.1
70.06596	100.0
70.15105	0.2
71.06927	0.7
71.50216	0.2
72.04520	0.4
74.02453	0.2
80.05028	0.3
80.47735	0.1
81.03429	0.5
81.20457	0.1
88.04014	0.1
91.51077	0.1
93.48089	0.1
94.42942	0.1
98.06080	0.6
98.07176	0.6
99.04462	1.9
100.02487	0.3
116.07101	8.9
116.08203	0.5
116.10738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	5.5
83.04981	1.4
85.02903	0.8
89.03923	6.7
91.05479	1.8
93.03409	4.4
95.04984	4.2
99.04465	1.1
103.05460	2.6
105.03378	2.8
105.04517	0.8
105.07047	0.5
107.04974	9.4
109.02875	3.9
111.00812	11.8
111.04449	11.0
115.05453	2.5
117.03389	2.7
117.07050	1.1
119.04921	2.4
121.02882	2.9
123.04436	87.5
124.04839	0.7
127.03925	89.0
128.04309	0.5
128.06172	0.5
129.07053	1.1
131.04919	5.6
133.02916	0.6
133.06482	1.1
135.04427	83.8
136.04742	0.7
137.02365	6.9
137.03366	0.6
137.05992	1.7
139.03909	54.7
141.07001	1.9
143.04942	2.1
145.02847	1.8
145.06494	2.1
147.04408	11.6
149.02347	10.4
149.05975	2.7
150.03122	1.1
151.03922	19.9
152.06197	0.4
153.01889	1.0
153.05489	1.1
153.07027	1.1
155.03609	0.6
155.04936	3.0
157.06511	1.9
159.04427	5.8
161.02332	1.8
161.05984	5.6
163.03915	76.9
164.04379	1.0
165.01863	1.8
165.05507	6.3
165.06926	0.7
167.03438	5.8
167.04820	0.8
169.04945	2.8
169.06512	3.3
171.04424	1.5
173.02396	0.8
173.05998	8.7
175.03908	6.0
175.07562	0.7
177.05493	10.8
179.03415	12.9
181.04962	2.1
181.06526	1.6
183.04361	3.0
184.05312	0.4
185.05974	3.4
187.03871	10.5
187.07564	1.0
189.01839	0.6
189.05467	4.8
191.03424	14.2
191.07042	1.3
193.05000	2.6
197.06033	6.4
199.03920	1.3
199.07477	0.9
200.04539	0.7
201.04126	0.2
201.05482	12.9
203.03404	20.6
203.07001	2.9
205.03165	0.7
205.04980	5.6
207.02904	1.3
207.06473	1.1
209.05940	1.2
211.03920	1.6
213.05501	4.5
214.06104	0.6
215.03453	5.0
215.06932	3.5
216.04156	1.2
217.04991	4.9
219.02971	1.0
219.06538	1.8
221.04466	1.1
223.02321	2.6
223.07492	0.6
225.05443	3.1
227.03406	1.8
227.07011	0.9
229.04971	19.2
230.05467	0.8
231.02899	1.3
231.06462	4.6
233.04454	6.3
237.05489	1.8
239.03458	1.0
239.06868	0.7
241.04968	4.0
242.05759	1.2
243.02904	1.1
243.06520	5.6
244.03728	1.3
245.04474	100.0
246.04794	2.8
247.06036	75.7
248.06392	1.5
249.05551	0.7
253.04913	4.8
255.06520	3.6
257.04486	20.9
258.05188	4.0
259.06003	13.0
261.07495	4.9
263.05347	3.2
265.04974	2.0
267.06522	1.8
269.04456	7.7
270.04993	1.1
271.06027	36.4
272.06354	1.1
273.03970	1.7
273.07681	2.8
274.04697	5.3
275.05499	32.0
279.06555	1.3
281.04587	2.7
283.06024	12.9
285.03949	3.3
285.07532	2.6
286.04639	1.3
287.05505	39.1
288.05887	0.9
289.07077	47.2
290.07404	0.7
291.08670	24.7
293.04501	1.3
293.08099	0.7
295.06049	4.1
297.03934	4.7
297.07495	1.6
299.05505	7.4
301.07071	16.5
303.05060	1.7
303.08621	2.4
305.04382	0.7
305.08051	0.6
307.06085	1.7
309.03967	1.8
309.07532	1.1
311.05563	3.6
313.06900	3.4
317.08017	1.9
319.06006	1.2
321.04010	0.7
321.07578	1.3
323.05450	4.8
325.07016	0.6
327.05170	1.0
329.06723	0.9
331.08618	2.3
333.03958	0.6
333.07660	1.5
335.05545	1.1
335.09293	0.7
337.07224	1.1
339.04907	2.0
339.08685	1.0
341.06589	1.6
343.05838	0.7
345.07547	2.0
347.05637	1.1
349.06949	1.0
351.04974	2.1
353.06384	0.5
361.07074	3.5
363.04782	1.1
363.08667	3.0
365.06494	2.6
367.08093	1.2
373.07239	1.3
375.04559	0.8
377.06522	2.3
379.08157	8.2
381.05826	0.7
381.10068	1.0
383.07736	3.2
385.06937	0.5
389.06482	5.9
391.08102	5.9
393.05923	5.1
393.10278	0.5
395.07578	3.4
396.08316	0.8
397.09189	13.0
401.06638	1.9
403.08313	1.0
405.05710	2.6
407.07663	36.9
408.07986	1.2
409.09219	40.2
410.09558	1.5
411.10892	4.6
413.08673	0.6
415.08713	0.6
417.06058	1.3
419.07623	8.2
421.09244	4.6
423.10889	1.0
425.08701	21.2
426.08932	1.2
427.10303	21.8
428.10269	0.6
431.07587	2.0
433.09167	4.3
435.11148	0.9
437.08734	14.9
438.08878	0.7
439.10138	3.3
449.08636	4.5
451.10342	8.0
453.11819	2.7
467.10022	0.7
517.11407	4.7
527.09528	2.0
529.11212	1.4
531.12610	1.6
535.12488	5.4
541.11469	4.0
543.12195	0.5
545.10718	3.0
553.11139	0.8
555.09644	0.6
556.19568	0.5
557.10730	1.4
559.12372	5.1
561.14203	0.7
569.10352	1.1
571.12689	2.6
575.11768	0.9
577.13556	10.2
579.15057	16.9
587.12091	1.1
589.13147	1.8
663.10107	0.7
677.12347	1.2
679.14478	2.3
695.13898	1.9
697.15332	6.1
699.16608	1.6
715.16833	3.5
815.16132	1.0
833.16589	1.2
967.19550	0.9
985.20587	1.5
1154.03589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	5.5
83.04981	1.4
85.02903	0.8
89.03923	6.7
91.05479	1.8
93.03409	4.4
95.04984	4.2
99.04465	1.1
103.05460	2.6
105.03378	2.8
105.04517	0.8
105.07047	0.5
107.04974	9.4
109.02875	3.9
111.00812	11.8
111.04449	11.0
115.05453	2.5
117.03389	2.7
117.07050	1.1
119.04921	2.4
121.02882	2.9
123.04436	87.5
124.04839	0.7
127.03925	89.0
128.04309	0.5
128.06172	0.5
129.07053	1.1
131.04919	5.6
133.02916	0.6
133.06482	1.1
135.04427	83.8
136.04742	0.7
137.02365	6.9
137.03366	0.6
137.05992	1.7
139.03909	54.7
141.07001	1.9
143.04942	2.1
145.02847	1.8
145.06494	2.1
147.04408	11.6
149.02347	10.4
149.05975	2.7
150.03122	1.1
151.03922	19.9
152.06197	0.4
153.01889	1.0
153.05489	1.1
153.07027	1.1
155.03609	0.6
155.04936	3.0
157.06511	1.9
159.04427	5.8
161.02332	1.8
161.05984	5.6
163.03915	76.9
164.04379	1.0
165.01863	1.8
165.05507	6.3
165.06926	0.7
167.03438	5.8
167.04820	0.8
169.04945	2.8
169.06512	3.3
171.04424	1.5
173.02396	0.8
173.05998	8.7
175.03908	6.0
175.07562	0.7
177.05493	10.8
179.03415	12.9
181.04962	2.1
181.06526	1.6
183.04361	3.0
184.05312	0.4
185.05974	3.4
187.03871	10.5
187.07564	1.0
189.01839	0.6
189.05467	4.8
191.03424	14.2
191.07042	1.3
193.05000	2.6
197.06033	6.4
199.03920	1.3
199.07477	0.9
200.04539	0.7
201.04126	0.2
201.05482	12.9
203.03404	20.6
203.07001	2.9
205.03165	0.7
205.04980	5.6
207.02904	1.3
207.06473	1.1
209.05940	1.2
211.03920	1.6
213.05501	4.5
214.06104	0.6
215.03453	5.0
215.06932	3.5
216.04156	1.2
217.04991	4.9
219.02971	1.0
219.06538	1.8
221.04466	1.1
223.02321	2.6
223.07492	0.6
225.05443	3.1
227.03406	1.8
227.07011	0.9
229.04971	19.2
230.05467	0.8
231.02899	1.3
231.06462	4.6
233.04454	6.3
237.05489	1.8
239.03458	1.0
239.06868	0.7
241.04968	4.0
242.05759	1.2
243.02904	1.1
243.06520	5.6
244.03728	1.3
245.04474	100.0
246.04794	2.8
247.06036	75.7
248.06392	1.5
249.05551	0.7
253.04913	4.8
255.06520	3.6
257.04486	20.9
258.05188	4.0
259.06003	13.0
261.07495	4.9
263.05347	3.2
265.04974	2.0
267.06522	1.8
269.04456	7.7
270.04993	1.1
271.06027	36.4
272.06354	1.1
273.03970	1.7
273.07681	2.8
274.04697	5.3
275.05499	32.0
279.06555	1.3
281.04587	2.7
283.06024	12.9
285.03949	3.3
285.07532	2.6
286.04639	1.3
287.05505	39.1
288.05887	0.9
289.07077	47.2
290.07404	0.7
291.08670	24.7
293.04501	1.3
293.08099	0.7
295.06049	4.1
297.03934	4.7
297.07495	1.6
299.05505	7.4
301.07071	16.5
303.05060	1.7
303.08621	2.4
305.04382	0.7
305.08051	0.6
307.06085	1.7
309.03967	1.8
309.07532	1.1
311.05563	3.6
313.06900	3.4
317.08017	1.9
319.06006	1.2
321.04010	0.7
321.07578	1.3
323.05450	4.8
325.07016	0.6
327.05170	1.0
329.06723	0.9
331.08618	2.3
333.03958	0.6
333.07660	1.5
335.05545	1.1
335.09293	0.7
337.07224	1.1
339.04907	2.0
339.08685	1.0
341.06589	1.6
343.05838	0.7
345.07547	2.0
347.05637	1.1
349.06949	1.0
351.04974	2.1
353.06384	0.5
361.07074	3.5
363.04782	1.1
363.08667	3.0
365.06494	2.6
367.08093	1.2
373.07239	1.3
375.04559	0.8
377.06522	2.3
379.08157	8.2
381.05826	0.7
381.10068	1.0
383.07736	3.2
385.06937	0.5
389.06482	5.9
391.08102	5.9
393.05923	5.1
393.10278	0.5
395.07578	3.4
396.08316	0.8
397.09189	13.0
401.06638	1.9
403.08313	1.0
405.05710	2.6
407.07663	36.9
408.07986	1.2
409.09219	40.2
410.09558	1.5
411.10892	4.6
413.08673	0.6
415.08713	0.6
417.06058	1.3
419.07623	8.2
421.09244	4.6
423.10889	1.0
425.08701	21.2
426.08932	1.2
427.10303	21.8
428.10269	0.6
431.07587	2.0
433.09167	4.3
435.11148	0.9
437.08734	14.9
438.08878	0.7
439.10138	3.3
449.08636	4.5
451.10342	8.0
453.11819	2.7
467.10022	0.7
517.11407	4.7
527.09528	2.0
529.11212	1.4
531.12610	1.6
535.12488	5.4
541.11469	4.0
543.12195	0.5
545.10718	3.0
553.11139	0.8
555.09644	0.6
556.19568	0.5
557.10730	1.4
559.12372	5.1
561.14203	0.7
569.10352	1.1
571.12689	2.6
575.11768	0.9
577.13556	10.2
579.15057	16.9
587.12091	1.1
589.13147	1.8
663.10107	0.7
677.12347	1.2
679.14478	2.3
695.13898	1.9
697.15332	6.1
699.16608	1.6
715.16833	3.5
815.16132	1.0
833.16589	1.2
967.19550	0.9
985.20587	1.5
1154.03589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0757
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
51.84753	0.7
53.00296	0.9
53.03949	2.5
55.01871	12.9
55.05519	9.6
56.96564	1.2
57.03442	12.3
57.93565	4.6
59.05005	12.1
59.20562	0.6
66.42770	0.6
67.05512	6.1
68.05036	1.0
69.03426	7.5
69.05370	1.7
69.07072	98.3
69.97512	2.8
70.06596	100.0
70.07401	3.1
71.04990	3.0
72.04498	0.8
72.93800	6.0
73.02931	2.7
73.04052	1.4
73.06175	1.4
73.06561	20.8
73.06981	1.1
73.93830	4.5
74.93832	28.1
79.05497	17.4
80.05833	2.7
83.01325	3.3
86.06092	1.3
87.04475	9.6
87.06390	1.1
90.94820	0.8
91.08591	0.8
91.94904	1.6
92.94873	8.2
95.04990	1.3
97.02905	1.6
97.06537	53.6
97.08475	1.3
98.02406	0.9
98.06055	2.2
98.06915	0.9
99.00838	0.6
110.95940	0.7
115.03946	20.4
115.05388	4.3
115.07596	5.2
115.08752	1.7
115.09507	15.9
115.96439	3.2
116.07104	9.8
119.35464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0394
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00298	1.1
53.03943	1.7
55.01877	9.6
55.05499	1.9
57.03450	5.8
57.93555	2.8
59.04758	1.3
59.05010	16.5
65.03947	1.1
65.71619	1.0
69.03437	33.4
69.05368	2.5
69.07072	7.6
70.02979	0.9
70.06600	100.0
71.01353	4.4
71.50373	1.1
71.50738	1.4
72.93803	7.5
73.02899	4.1
73.04015	1.9
73.93842	5.9
74.93836	16.4
79.05505	1.1
83.01334	3.5
85.02913	23.7
86.06068	1.9
87.00783	1.2
87.04481	11.3
89.03924	1.6
90.94821	1.2
91.94863	1.5
92.94885	7.2
97.02897	24.4
97.04742	0.9
97.06516	1.8
98.02425	1.9
98.06065	2.3
115.03946	31.9
115.05456	36.1
115.08752	1.8
115.09512	5.1
115.96432	2.1
116.07104	8.5
116.97235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03957	2.5
55.01879	2.5
55.05514	44.8
65.03666	0.5
65.03949	6.8
65.39876	0.4
67.05489	0.9
68.05010	0.8
69.03428	1.0
69.07059	0.7
70.88158	1.2
71.01353	0.7
75.98241	0.4
76.35046	0.4
81.03410	0.9
82.04182	0.5
83.04984	27.0
85.02899	1.7
88.00488	1.7
91.05495	0.7
93.03400	0.9
93.07043	0.8
97.00944	0.6
111.04443	100.0
111.08042	2.2
111.09177	0.5
112.03997	0.8
112.04762	0.8
112.07583	0.5
115.96452	1.0
126.69174	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.00306	0.7
53.03953	2.9
53.99843	0.8
54.03477	1.5
55.01876	1.5
55.05516	34.4
56.05045	4.4
57.07089	1.6
58.06613	4.3
65.03941	1.2
67.05514	4.1
68.05023	5.3
68.99796	1.5
69.03446	1.2
69.04550	3.8
69.05370	1.8
69.07072	100.0
69.23676	2.1
69.24097	4.2
70.02961	2.2
70.04894	2.3
70.06596	54.7
71.06129	2.9
71.07404	1.0
82.05317	2.2
83.04988	3.3
83.06104	10.2
83.08611	0.8
84.04520	1.1
84.06464	1.2
84.08144	3.3
85.07664	1.6
88.00494	8.5
89.00213	0.6
90.40556	0.6
90.50720	0.7
93.07089	0.7
94.02943	1.9
94.06583	4.7
94.20856	0.7
95.06104	3.2
96.05630	2.5
96.06870	2.8
97.01027	4.3
98.21508	1.6
99.51269	2.4
103.61545	0.6
110.07187	11.3
111.02049	1.0
111.04453	7.1
111.05611	11.4
111.06332	1.8
111.06740	2.4
111.07391	9.4
111.08026	3.6
111.09209	71.4
112.03974	1.4
112.07590	1.2
112.07886	0.7
112.08749	16.0
112.09486	0.6
114.46513	0.7
115.96449	4.3
116.97250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.03947	1.8
55.01880	1.9
55.05519	0.9
55.51205	0.4
55.93546	0.6
57.03442	11.8
57.07088	1.1
58.06603	0.7
65.03946	12.4
67.01883	2.8
67.05508	100.0
68.05029	3.7
68.05837	0.9
69.03434	5.0
69.03773	0.5
69.07072	1.4
70.02957	6.6
70.03768	1.2
70.06596	0.8
71.04997	10.1
71.06938	0.5
71.51261	0.6
71.94110	5.9
71.95267	0.7
72.08165	1.0
72.93792	24.4
79.05467	0.5
81.03419	0.8
81.34475	0.4
85.02917	1.2
85.06541	3.8
85.08475	0.7
86.06052	0.6
89.95164	0.9
90.94830	10.1
95.01344	2.6
95.04974	43.7
95.08605	1.1
96.00859	4.0
96.04486	0.9
96.05338	0.7
96.08163	0.7
99.00625	0.6
108.95875	1.2
113.00072	3.4
113.02377	43.9
113.03494	9.3
113.06011	12.9
113.07217	0.8
113.07906	2.5
113.09696	0.7
113.10780	1.7
113.96412	1.8
114.05546	4.3
114.09176	4.0
115.35143	0.4
131.97444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02384	0.7
53.00315	0.4
53.03950	8.0
54.15989	0.2
55.01872	3.4
55.05514	10.8
55.27546	0.3
55.81743	0.3
65.03945	6.6
66.04731	0.7
67.05505	100.0
68.05829	0.7
69.07069	6.0
71.51242	0.6
74.76077	0.3
79.05493	28.4
80.04984	0.3
80.06291	1.8
81.03422	12.3
81.07056	47.9
81.61237	0.3
82.06573	0.8
87.00462	0.8
91.05481	7.7
94.04173	2.5
94.07843	1.5
95.04981	0.7
95.23273	0.3
105.07020	0.5
107.04958	0.8
107.08598	3.8
109.02901	1.7
109.06519	44.9
109.07697	1.7
109.10156	37.6
110.06065	3.7
110.06791	0.7
110.10487	0.4
123.62495	0.3
124.77803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	4-Pyrimidine Methanamine (hydrochloride)
Peak:m/z	Relative Intensity
53.59045	0.7
55.05505	1.0
56.05033	1.8
65.03931	1.2
66.03443	1.3
67.02975	1.3
67.04240	2.4
68.04688	0.7
68.05035	13.6
69.04557	21.1
70.06585	2.3
71.42881	1.4
80.05006	1.2
82.06588	6.0
83.04978	0.8
83.06118	6.4
87.00459	1.5
93.04552	4.9
95.03691	1.5
99.54705	0.7
109.07689	0.7
110.06036	40.5
110.07159	100.0
110.09686	2.1
111.05560	1.8
111.09206	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02385	0.7
53.03951	14.9
55.01886	0.7
55.05514	9.7
65.03947	4.6
67.05508	100.0
67.93589	0.5
68.05842	0.5
69.07067	6.4
70.26872	0.5
70.85410	1.1
73.61208	0.5
79.05495	13.1
80.06267	1.2
81.02937	0.8
81.03424	24.4
81.07060	35.1
82.06580	1.3
82.94952	0.6
83.04974	0.5
87.00459	1.0
91.05498	2.6
92.05041	0.5
92.05814	1.3
94.04197	2.3
94.07858	1.1
105.07028	1.1
107.04948	0.6
107.08608	3.4
109.02879	4.4
109.06520	7.4
109.07668	2.4
109.10166	40.8
110.06046	5.5
110.10464	0.7
113.63229	0.5
118.62946	0.5
120.35801	0.5
120.36707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02383	1.5
53.03950	27.9
55.01877	3.0
55.05512	10.6
65.03941	8.1
66.04728	1.4
67.05508	100.0
67.93577	0.9
68.05827	0.6
69.07071	6.3
71.50908	1.1
79.05497	31.9
80.05028	0.6
80.06279	1.4
81.03422	51.1
81.07057	43.9
82.06596	2.8
82.07402	0.9
91.05485	5.9
94.04185	3.6
94.07797	1.3
95.05000	0.8
105.07037	0.9
107.04939	1.1
107.08608	4.9
109.02890	7.4
109.06522	40.6
109.07625	3.7
109.10160	49.0
110.06042	10.1
110.10535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03951	2.8
55.05516	11.3
65.03958	4.3
67.05511	100.0
68.05857	0.6
69.07074	5.7
70.54702	2.1
79.05502	9.5
80.06287	1.0
81.03426	2.1
81.07064	31.5
91.05496	2.1
94.07844	1.2
100.68771	0.5
105.07057	0.7
107.08628	3.0
109.06514	2.7
109.10168	36.1
112.15240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02379	1.1
52.89108	1.0
53.00311	1.2
53.03952	42.4
55.01873	11.3
55.05515	12.2
57.01998	1.0
63.58745	1.0
65.03944	17.0
66.04718	3.1
67.05508	100.0
68.05044	0.9
68.05835	0.9
69.07078	5.1
69.07384	0.8
71.51620	1.4
78.26875	0.9
79.05498	76.5
80.05016	1.9
80.05824	1.4
80.06286	1.2
81.03425	65.3
81.07060	85.6
82.03712	1.5
82.06581	4.5
85.10719	1.1
86.00668	1.4
87.00478	4.2
91.05485	63.3
92.05824	1.4
94.04191	22.0
95.04970	2.1
105.04530	1.5
107.04954	6.2
107.08605	4.0
109.02900	10.8
109.06524	75.2
109.07652	13.3
109.08487	3.6
109.10159	37.7
110.06049	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	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.01610	0.6
51.02380	2.9
53.00317	0.6
53.03949	47.0
54.04285	0.5
55.01874	6.1
55.05515	5.2
65.03941	5.8
65.51523	0.4
66.04712	0.9
67.04263	1.2
67.05507	50.3
67.93575	1.7
67.95261	0.5
68.05046	0.5
68.45325	0.6
69.03423	0.5
69.07076	3.3
71.51231	0.8
79.05496	32.5
80.05015	0.4
80.06297	0.6
81.03421	100.0
81.07058	40.1
82.03739	0.9
82.06577	2.3
83.28985	0.4
87.00467	0.4
91.05484	8.8
92.05018	0.7
94.04191	3.8
94.07870	0.8
95.03691	0.5
95.04996	1.1
105.04519	0.5
106.75255	0.4
107.04951	1.4
107.08591	1.6
109.02889	15.8
109.06522	61.2
109.07607	4.7
109.08465	1.1
109.10162	21.4
110.06054	10.7
110.06796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02377	1.8
51.51129	0.3
53.03952	29.2
54.04299	0.5
54.85221	0.3
55.01877	1.3
55.05523	0.9
56.96562	0.4
57.99515	0.2
65.03950	1.1
67.05507	5.2
67.93586	0.4
67.95275	0.3
68.05032	0.3
70.30911	1.0
74.57980	0.3
76.67376	0.3
79.05479	2.3
80.05000	0.3
81.03423	100.0
81.07052	3.4
82.03745	0.5
82.06590	0.8
82.85919	0.2
91.05493	1.0
92.05014	0.6
94.04191	0.9
100.02491	0.5
104.69112	0.3
109.02887	21.2
109.06545	1.7
109.07651	2.3
109.08400	0.5
109.10150	1.9
110.06049	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.86352	0.2
51.02382	0.9
53.03946	5.4
55.01873	1.2
55.05513	0.3
62.99083	0.5
63.02370	0.4
65.03940	14.2
67.05509	3.0
69.61002	1.9
75.42278	0.3
76.41637	0.2
77.03925	1.5
79.05494	24.1
80.05016	0.3
80.05850	0.3
81.03407	0.4
91.05482	100.0
92.05791	0.6
92.06264	2.6
95.04974	5.4
101.57475	0.3
103.05490	0.5
105.04540	2.4
105.07034	27.6
106.04185	0.8
106.07354	0.4
107.04958	31.2
107.08593	25.9
108.08146	0.5
108.08923	0.4
109.06519	9.0
119.06069	9.0
124.05216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02382	2.3
53.03947	41.5
54.04268	0.5
55.01877	2.1
55.05508	1.0
56.05044	0.4
56.96566	1.1
57.03437	0.5
59.52199	0.4
60.01414	0.3
61.66056	0.3
64.02221	0.6
65.03957	2.2
65.52200	0.4
66.04729	0.3
67.01865	0.5
67.04250	0.9
67.05506	6.2
67.45312	0.5
67.93578	1.0
67.95248	0.5
68.05026	2.4
68.05866	0.4
68.45306	0.6
68.95296	1.4
69.01920	0.6
69.03424	1.5
69.05827	0.5
69.72046	0.3
69.81775	1.1
70.99862	0.3
71.02990	0.7
72.52962	0.4
73.52841	0.5
77.00903	0.3
78.52981	1.3
79.05483	2.8
80.05009	0.5
81.03418	100.0
81.07053	4.2
82.01443	2.9
82.03751	0.7
82.06590	1.2
83.01502	0.4
83.06112	1.0
84.01167	0.4
84.03001	0.3
84.99264	0.4
85.51933	0.4
86.00935	1.3
86.52702	2.2
86.99345	0.4
88.51701	0.9
91.05478	1.2
92.05014	1.5
93.04539	0.5
94.04208	1.3
94.06589	0.7
94.52442	0.6
95.04942	0.4
95.53237	1.7
96.04496	1.3
97.53744	0.6
98.03503	0.6
98.20758	0.4
100.02483	6.9
101.00897	2.1
101.02585	0.8
102.02258	1.5
102.04046	0.9
103.00614	0.4
103.02464	0.9
104.01963	1.2
105.00368	0.4
106.05035	0.8
107.04092	0.3
107.04935	0.4
109.02881	15.5
109.06531	3.0
109.07659	5.3
109.08418	0.5
109.10152	2.2
110.06039	9.6
110.07193	1.2
111.06818	0.7
115.01257	0.5
115.02381	0.4
118.01119	0.5
118.03519	1.9
119.01931	2.7
119.03745	0.5
121.01657	0.5
122.03013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01616	0.5
51.02381	1.4
53.03949	11.2
55.01872	1.4
55.05513	0.9
55.75854	0.4
57.65192	0.4
65.03946	14.8
67.05510	5.7
71.51434	0.4
77.03921	3.2
77.80034	0.4
79.05497	83.3
80.05017	1.0
80.05829	0.8
80.48238	0.4
81.03415	1.4
91.05486	100.0
92.05837	0.6
92.06287	3.6
94.75595	0.5
95.04974	12.6
97.29809	0.5
103.05466	1.0
105.04526	6.7
105.07037	25.4
106.04183	0.6
107.04962	47.3
107.08599	24.1
108.04543	0.4
108.05261	0.7
108.08125	1.3
109.06521	8.8
119.06068	6.7
124.05236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01570	0.7
51.02373	3.0
53.03714	1.0
53.03951	18.3
60.04527	0.9
61.08482	1.1
64.90707	0.9
65.03931	1.3
68.04554	0.8
77.03923	3.7
78.03447	1.3
79.05495	53.9
81.03438	1.2
84.14703	0.8
84.39211	0.8
87.14323	0.8
91.05457	0.9
95.04969	16.3
96.04491	4.4
102.34438	0.8
103.05473	33.1
105.03400	0.9
105.04513	10.4
105.07036	100.0
105.11081	3.4
106.06587	2.3
106.07362	1.9
111.13831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01606	0.9
51.02385	2.2
53.03951	15.8
53.04210	0.7
55.01863	1.0
55.82951	0.3
56.96586	0.6
59.02495	0.4
60.08152	0.5
61.08503	0.7
70.94787	0.4
70.95122	0.5
77.03934	5.2
78.82308	0.3
79.05499	53.7
80.05811	0.5
81.03431	1.8
85.22373	0.3
88.11850	0.3
95.04975	14.4
96.04509	0.6
103.05475	39.8
104.05750	0.4
105.03500	1.6
105.04534	10.1
105.07037	100.0
105.11071	1.9
106.07368	0.9
121.99146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	3.5
53.03717	1.2
53.03947	17.9
55.01870	2.0
61.08495	1.6
65.03922	1.6
69.57496	7.8
77.03925	4.9
78.03431	1.2
79.05497	53.5
81.03399	1.9
95.04967	16.4
96.04510	2.4
98.06520	1.1
98.21400	2.3
103.05471	32.6
105.03398	2.6
105.04529	9.4
105.07035	100.0
105.11086	6.7
106.06610	1.6
106.07365	1.2
122.38694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01600	0.5
51.02384	2.3
51.02591	0.4
53.03951	16.6
55.01875	1.2
65.03945	1.6
65.52974	0.4
69.85677	2.0
72.50341	0.4
77.03937	4.9
79.05498	59.6
81.03414	1.7
82.47669	0.5
95.04978	16.3
96.04547	0.6
102.04662	0.5
103.05476	37.4
105.04529	9.2
105.07037	100.0
105.11089	1.4
106.07414	0.9
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
51.28203	0.2
58.06601	6.5
59.07387	1.5
60.08167	55.6
69.67352	1.1
104.10749	100.0
105.11068	0.2
115.78168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.8
51.02376	2.3
53.03951	17.8
55.01883	0.6
57.07474	0.3
60.04519	0.6
60.08160	0.4
61.08497	0.6
67.69662	0.4
70.67089	0.8
70.67441	0.5
73.13565	0.3
77.03931	4.8
78.03477	0.3
78.04716	0.4
79.05498	60.2
81.03430	1.8
95.04975	16.0
96.04501	0.9
103.05476	43.8
104.05754	0.6
105.03426	0.8
105.04533	9.5
105.07036	100.0
105.11115	1.3
106.06689	0.3
106.07346	1.6
118.06525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	2.6
53.03719	1.1
53.03957	16.7
60.04516	1.1
60.08176	0.9
61.08480	1.5
65.03942	1.8
69.49155	3.3
69.49574	2.8
77.03946	4.6
77.73380	0.8
78.55701	0.8
79.05503	53.0
81.03417	1.1
92.67117	1.0
95.04980	16.2
96.04523	1.8
98.43735	0.8
103.04801	1.8
103.05482	34.0
105.03437	1.7
105.04520	12.5
105.07043	100.0
105.11074	4.9
106.06573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.7
50.78344	0.6
51.02380	2.7
51.46454	0.6
51.93520	0.6
53.03709	1.2
53.03949	16.6
55.01871	0.8
58.94173	0.6
60.04510	1.1
61.08484	0.9
63.01235	0.7
65.03936	1.7
69.19849	0.9
69.20181	7.0
72.74412	0.6
74.88223	0.6
77.03936	4.7
79.05497	56.4
81.03410	1.6
95.04972	16.8
96.04506	1.7
103.05476	33.8
105.03419	1.1
105.04536	9.6
105.07036	100.0
105.11064	2.2
105.48271	0.6
106.06564	0.9
106.07320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.0499
Annotation	Benzonitrile
Peak:m/z	Relative Intensity
51.02382	1.1
53.03717	0.7
53.03955	12.4
58.06595	3.0
59.07383	0.8
60.08168	17.0
62.92982	1.7
69.03432	1.2
69.66888	3.2
77.03539	0.5
77.03918	2.8
78.03453	0.5
78.04727	1.4
79.05512	1.0
81.03419	1.2
86.06076	0.8
87.04473	2.7
89.37057	0.5
95.04981	12.9
96.04501	1.6
103.05473	1.0
104.05002	100.0
104.10753	33.5
105.04526	7.3
105.05243	0.8
105.07000	2.5
118.06546	0.7
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
53.44012	0.2
55.49605	0.2
58.06600	4.8
59.07393	1.6
60.08167	51.7
70.17738	1.0
77.05116	0.2
96.05292	0.2
104.05818	1.0
104.10749	100.0
105.11081	0.4
110.13862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.59
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	4.7
79.05496	89.3
81.03415	19.7
81.07059	91.5
83.04980	14.3
83.08620	16.6
85.02913	17.5
85.06556	4.1
91.03944	3.9
91.05482	100.0
91.08730	1.8
92.05782	2.3
93.07044	77.7
95.04975	19.7
95.08611	57.9
97.02888	16.2
97.06521	18.9
97.10187	12.5
99.04458	3.2
99.08088	3.7
103.05457	5.9
105.04537	4.0
105.07033	80.4
107.04939	14.3
107.08596	40.9
109.02911	3.6
109.06522	9.6
109.10165	32.8
111.08102	8.3
115.05430	7.9
116.06234	2.6
117.07027	35.4
119.04922	2.0
119.08588	54.5
121.06491	9.8
121.10146	24.5
123.08093	10.2
123.11683	4.9
125.09634	11.0
127.03918	7.0
128.06221	6.7
129.05470	2.9
129.07021	23.6
130.07803	2.2
131.08571	45.0
133.06476	3.1
133.10126	43.3
135.08095	8.0
135.11699	17.9
137.09602	13.4
141.06953	8.4
142.07761	5.1
143.08589	21.5
145.04964	3.4
145.06473	3.0
145.10130	30.7
147.08080	4.8
147.11682	26.0
149.09630	24.7
149.13248	12.6
151.11143	4.6
153.09105	2.0
155.08569	11.5
156.09378	2.8
157.10124	19.8
158.10822	1.8
159.08046	3.1
159.11685	26.0
161.09659	3.9
161.13258	13.0
163.11211	12.8
167.08563	8.0
169.10138	14.2
171.10237	3.4
171.11632	15.8
173.04404	3.3
173.09622	3.6
173.11748	6.7
173.13254	12.2
175.11217	4.4
175.14772	4.1
177.12750	6.7
179.14244	4.5
181.10112	7.2
183.11772	10.3
185.13226	9.9
187.11151	4.3
187.14830	5.0
189.11218	4.4
193.10117	2.9
195.11768	3.6
195.13712	3.5
197.13261	8.3
199.11212	2.1
199.13132	2.3
199.14781	5.7
201.16487	1.9
203.08699	2.0
207.13684	1.9
209.13303	4.7
211.14795	4.3
213.16415	2.9
217.15926	2.2
221.13264	2.4
223.13084	3.0
225.16417	3.0
227.12726	7.1
229.14287	8.8
229.19504	2.8
235.14932	2.0
237.16460	2.3
239.18033	2.9
241.19543	6.4
245.18994	2.4
253.01657	1.7
257.18945	9.4
259.20590	14.4
269.17474	11.6
271.20645	2.3
273.18423	6.0
275.20078	31.8
283.20468	1.6
291.19550	7.8
297.22089	1.8
315.22989	2.0
321.23975	2.0
331.22720	2.4
333.24255	12.9
337.25455	2.2
341.24637	2.0
349.23749	25.9
365.23447	3.3
423.27390	3.6
431.27991	3.2
463.30679	2.0
470.95160	2.1
484.23492	1.7
487.34039	3.7
495.34604	1.9
501.37244	2.1
503.34119	2.2
511.33582	3.1
513.35791	28.5
514.36163	2.1
515.38226	2.0
527.37140	3.2
543.37305	7.8
607.43524	11.8
623.43323	4.0
625.44598	13.5
641.43805	4.1
811.99005	2.8
902.51813	2.0
1034.57983	4.0
1038.86023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.6
53.03949	30.7
53.67422	0.7
53.91888	0.7
55.01862	1.4
56.96556	0.8
57.03434	1.6
57.05343	0.8
58.06581	1.4
58.97932	0.8
60.02138	3.5
60.08164	6.3
60.95855	0.8
70.75395	2.0
73.02926	0.7
75.04478	1.0
77.03941	7.6
81.03407	2.9
85.02905	2.2
88.01624	2.6
95.04974	26.5
102.04694	5.2
102.96876	0.8
103.04030	4.7
103.05471	100.0
104.05829	0.8
104.10741	12.3
105.04523	15.4
109.82516	0.7
121.01750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0554
Annotation	5-Hydroxypyrrolidin-2-one
Peak:m/z	Relative Intensity
56.05034	13.8
56.96574	5.9
57.03428	1.4
59.05019	5.7
60.04528	100.0
60.95839	1.4
67.51089	1.5
69.37814	8.0
70.02959	30.5
74.02443	22.0
74.06091	8.5
79.01831	1.7
84.04511	9.2
84.08145	8.6
85.02905	9.2
88.03502	2.2
88.04000	35.2
102.05545	21.1
102.09201	6.4
110.59888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04994	6.9
71.08636	6.8
73.02907	7.9
76.67488	2.1
77.03925	2.7
79.05498	85.0
81.03425	20.3
81.07065	100.0
83.04983	21.2
83.08618	20.1
85.02920	27.3
85.06540	4.0
91.03949	7.1
91.05488	87.6
93.07050	86.0
93.07639	3.9
95.04975	16.2
95.08617	72.5
97.02905	19.9
97.06538	14.7
97.10144	4.2
99.08068	8.0
103.05450	3.6
105.04501	5.4
105.07045	67.4
107.04983	8.1
107.08604	50.7
109.02859	3.0
109.06539	10.2
109.10173	23.3
110.32458	2.5
111.04433	2.7
111.08063	7.2
113.05896	2.3
115.05440	5.7
115.10313	2.4
115.35490	2.4
117.07024	30.5
119.08595	48.5
121.06518	6.2
121.10152	29.3
123.08055	5.0
123.11716	7.9
125.09627	7.4
127.03931	14.1
128.05342	2.8
128.06233	4.8
129.05482	8.6
129.06999	18.5
130.07794	2.4
131.08585	45.0
133.06465	2.7
133.10146	35.8
135.08046	7.9
135.11723	23.9
137.09625	4.4
139.11206	4.1
141.06990	5.4
142.07747	2.9
143.08563	20.6
145.04951	6.6
145.10127	32.1
147.08095	4.1
147.11691	29.8
149.09631	6.4
149.13275	23.0
151.11198	8.1
155.08565	8.1
157.10156	17.9
159.11710	27.1
161.13289	14.6
163.11218	8.7
163.14842	3.3
165.12756	3.8
167.08571	4.1
169.10139	11.2
171.11693	18.4
173.13210	14.6
175.14813	7.5
177.12772	6.8
177.16333	4.1
179.14371	5.5
181.10175	5.4
183.11697	8.2
185.13283	12.3
186.96663	2.3
187.14832	6.9
189.12701	3.4
195.11760	3.8
195.13857	5.5
197.13199	7.0
198.97247	2.3
199.11259	3.3
199.14833	9.0
201.16315	3.1
203.14481	3.0
203.17932	2.8
211.14870	4.2
213.16431	4.2
215.18027	3.2
221.13354	3.2
227.12778	2.5
227.17960	3.0
229.14151	4.2
229.19662	2.8
231.21153	4.4
235.84013	3.2
237.16420	4.0
239.17900	3.0
241.19504	9.6
243.21127	6.1
251.18042	2.7
257.19067	5.1
259.20615	17.5
261.22195	8.1
267.21185	2.6
269.17490	23.3
275.20081	11.0
277.21735	5.1
281.17450	4.6
303.23431	2.7
315.23193	4.7
333.24469	12.3
335.25778	21.4
349.23761	10.1
415.65738	2.6
435.32516	2.4
463.30621	3.1
473.35852	2.8
511.38004	3.0
515.37280	6.1
519.41608	4.0
527.37933	12.4
529.38940	19.2
593.45148	6.2
609.44934	9.6
611.37720	4.2
611.46796	54.2
611.61957	2.7
627.45453	7.3
754.33417	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	1019.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51079	1.3
77.03928	1.8
79.01849	0.9
79.05490	1.5
81.03412	3.6
83.04971	1.8
88.99094	0.8
89.03902	3.1
91.05431	1.2
93.03394	2.7
95.04945	2.8
96.61272	0.7
99.04451	2.3
100.04348	0.9
103.05462	2.2
105.03423	2.1
105.04509	1.3
107.04973	6.8
109.02901	4.7
111.00819	7.3
111.04447	8.7
115.05445	2.5
117.03352	2.5
119.04929	2.0
121.02885	2.1
123.04434	100.0
124.04818	1.1
125.02301	1.0
127.03920	91.3
129.06987	0.9
131.04942	4.9
133.06499	1.1
135.04422	68.9
136.04797	1.3
137.02338	5.8
137.05983	2.0
139.03909	52.2
141.06956	1.5
143.03441	0.9
143.04898	1.6
145.02859	1.3
145.06471	1.8
147.04408	10.1
149.02350	9.0
149.05986	3.9
151.03909	18.4
153.01843	9.3
155.04915	2.3
157.06439	2.2
159.04436	5.1
161.02350	2.2
161.06046	4.1
163.03906	61.2
165.01915	1.3
165.04286	0.9
165.05469	4.1
167.03448	7.1
169.04977	2.4
169.06534	3.0
171.04469	0.9
173.05980	5.8
175.03961	5.5
177.05481	7.2
179.03384	9.3
181.04997	2.0
181.06436	1.7
183.04459	3.1
185.05991	3.0
187.03880	9.2
189.05481	6.3
191.03424	11.0
191.07042	0.9
193.04979	2.8
197.05992	5.9
199.04134	0.9
201.05472	12.2
203.03392	18.2
203.07082	2.5
205.04944	4.5
207.02911	1.5
211.03983	1.1
213.05457	3.7
215.03426	4.8
215.06915	5.0
217.04968	3.5
219.06490	2.1
223.02365	1.7
225.05432	3.4
227.03395	1.7
229.04941	15.1
231.02844	2.1
231.06535	3.0
233.04417	5.2
235.02406	1.3
237.05400	2.0
241.04993	3.1
243.06548	6.5
245.04460	71.5
246.04829	1.7
247.06029	57.5
248.06393	1.2
253.04910	3.8
255.02798	0.9
255.06357	4.4
257.04480	17.2
258.05228	1.9
259.06000	11.1
261.07596	3.6
265.04941	2.7
266.95941	0.9
267.06378	1.7
269.04456	8.1
271.06003	33.3
271.08829	1.8
272.06540	0.9
273.07617	9.9
274.04761	4.0
274.41464	0.9
275.05496	21.5
277.05026	1.1
281.04477	4.0
282.05374	1.1
283.06006	16.5
285.04041	1.9
285.07465	2.3
287.05511	23.6
289.07071	31.1
291.08957	1.8
293.04428	1.5
295.05975	4.8
297.03912	3.0
297.07617	2.5
299.05563	8.4
301.07101	16.5
303.05206	1.4
307.05991	1.9
309.03967	2.6
309.07410	1.1
311.05438	3.4
313.07053	2.4
317.07477	1.1
321.04123	1.0
323.05472	3.7
325.07147	1.5
331.08221	1.6
333.07635	1.4
335.05536	1.2
335.09192	0.9
337.06738	1.0
351.04944	4.7
361.06900	1.4
363.08536	1.0
365.06564	1.5
373.07175	1.6
377.06693	1.6
379.08191	3.1
383.07474	3.3
389.06564	3.6
391.08078	6.0
393.05911	2.4
393.09964	2.2
395.07236	2.5
397.09299	7.2
403.08289	1.0
405.05801	5.7
407.07666	26.5
408.08368	1.0
409.09186	37.7
415.08313	1.2
419.07632	4.4
421.09094	4.8
425.08701	9.4
427.10251	6.7
431.07697	1.0
433.09128	3.8
435.10980	1.6
437.08676	9.9
439.10223	1.2
443.09552	5.4
449.08563	2.6
451.10278	5.2
517.11115	4.4
527.09900	3.9
535.11890	1.4
539.09985	1.1
541.11493	2.2
543.12982	1.3
545.10748	4.1
553.11719	1.6
557.10498	1.8
559.11938	1.6
563.11694	3.5
571.12207	1.9
577.13110	1.1
579.11359	4.7
603.11060	1.5
679.14288	1.6
697.11615	4.6
831.15985	1.1
849.15753	3.9
851.17157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	8.1
71.51452	2.7
73.02924	3.7
77.03951	2.3
79.05495	92.8
81.03418	18.2
81.07056	100.0
83.04994	14.7
83.08623	23.0
85.02907	14.7
85.06538	6.1
90.45055	1.6
91.03965	3.8
91.05485	85.2
93.07045	76.9
95.04967	15.9
95.08611	49.6
97.02901	10.4
97.06535	24.7
97.10165	23.8
99.04447	3.9
99.08094	4.4
103.05463	2.9
105.04523	4.3
105.07033	64.8
106.77574	1.8
107.04956	19.5
107.08598	73.9
109.02870	4.4
109.06516	13.1
109.10154	25.8
111.04443	1.8
111.08109	8.8
113.09688	1.9
115.05459	4.3
116.06252	2.0
117.06230	2.4
117.07017	31.7
119.08586	45.6
121.06497	13.1
121.09322	2.6
121.10144	28.9
123.04428	2.7
123.08070	8.0
123.11703	8.1
125.09637	25.1
127.03897	7.5
127.07531	2.1
128.06209	4.0
129.05496	3.1
129.07001	16.0
130.07846	1.7
130.08728	2.0
131.08578	35.6
133.06548	3.6
133.10139	40.3
135.08087	10.3
135.11679	24.0
137.09618	4.7
139.11188	1.6
141.06981	5.5
141.09050	1.7
142.07739	5.2
143.08591	11.1
144.09296	1.7
145.05000	2.4
145.06432	3.6
145.10130	34.2
147.08061	3.8
147.11671	22.2
149.09619	31.7
149.13263	12.0
151.11201	3.1
153.09131	2.5
153.12723	1.6
154.07782	2.1
155.08582	9.3
155.10655	2.5
157.10139	12.7
159.08090	3.0
159.11700	22.5
161.09645	4.0
161.13245	10.1
163.11169	19.3
165.09099	1.8
165.12807	2.1
167.08557	3.5
169.10184	8.7
171.10295	3.6
171.11703	9.4
173.04492	5.4
173.09607	3.7
173.11848	2.7
173.13263	9.6
175.11223	2.7
177.12743	7.9
179.10706	1.6
179.14346	6.8
181.10135	4.8
181.12134	2.9
183.11708	6.8
185.13155	3.4
187.11272	2.7
187.14871	3.1
189.11208	13.1
189.12700	3.5
193.12279	2.2
195.11792	3.4
195.13818	4.8
197.13258	5.7
199.14896	3.3
201.12740	3.4
205.12157	2.7
211.14792	3.2
213.16399	2.0
217.15860	2.4
227.12769	37.9
229.14307	8.7
229.19508	5.7
235.16743	1.9
239.18019	7.6
245.13795	3.1
247.20624	3.9
251.16498	2.1
253.14235	3.0
253.17929	2.6
255.15883	9.9
257.19016	22.2
267.16064	2.4
269.17465	37.0
273.18567	3.4
275.20078	86.7
291.19547	2.2
293.21021	5.8
317.21283	2.4
331.22714	5.1
349.23770	79.8
350.24072	2.8
367.24893	6.2
413.21725	3.1
423.27417	3.2
435.27487	2.3
439.26852	3.2
445.29770	2.5
449.29184	12.0
451.32172	2.3
463.30649	21.0
503.33749	8.1
511.34357	3.4
515.37500	2.9
519.33270	6.4
525.35767	8.9
527.36969	3.9
529.35400	15.5
543.36914	70.0
544.37286	3.3
547.35962	2.6
561.37921	7.5
605.40967	1.8
607.34357	3.8
623.43103	33.3
624.44073	1.7
641.44183	14.6
680.44537	1.9
687.40735	3.6
1027.50439	1.9
1033.17310	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	1018.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	2.2
71.04987	4.8
73.02909	2.9
77.03921	3.1
79.05497	89.6
79.84302	1.4
80.97239	1.2
81.03425	21.6
81.07061	100.0
83.04989	17.0
83.08626	21.5
85.02912	20.1
85.06544	4.3
91.03948	4.5
91.05485	94.5
93.07048	90.5
95.04977	19.9
95.08614	55.5
97.02903	15.2
97.06532	18.5
97.10168	14.5
99.04437	3.9
99.08076	5.3
103.05453	4.2
105.04508	4.8
105.07034	83.5
107.04952	13.3
107.08599	60.4
108.08907	1.2
109.02859	3.9
109.06528	10.7
109.10164	26.7
111.04448	2.5
111.08085	7.5
113.06045	1.5
113.09641	2.6
113.25756	1.2
115.05458	6.2
116.06248	2.7
117.06228	2.4
117.07022	38.2
119.08588	62.4
120.08923	1.8
121.06520	8.3
121.10152	25.1
123.08089	7.5
123.11719	7.4
125.09627	14.9
127.03880	7.0
128.06242	7.5
129.05476	3.9
129.07013	22.4
130.07780	3.1
131.08574	43.5
133.06468	4.3
133.10141	49.7
135.08058	8.9
135.11690	20.8
137.09624	6.9
139.11218	2.1
141.07005	7.6
142.07739	4.8
143.08559	18.1
145.04950	3.9
145.06516	4.4
145.10132	33.5
147.08076	3.7
147.11703	31.2
149.05911	1.7
149.09627	20.8
149.13252	16.8
151.11162	4.7
152.05737	2.2
153.07069	2.5
153.09096	2.5
154.07649	1.9
155.08551	13.0
156.09254	1.5
157.10132	21.2
159.08043	3.1
159.10599	1.2
159.11697	31.9
161.09634	3.5
161.13269	15.5
163.05930	2.1
163.11209	12.9
163.14883	2.4
165.12746	3.2
167.08588	3.9
168.09319	1.7
169.10123	11.3
171.10263	2.4
171.11684	21.1
173.04498	4.2
173.09618	2.6
173.11786	3.4
173.13263	13.8
175.11143	3.7
175.14830	6.0
177.12712	6.8
179.08563	1.7
179.14313	4.1
181.10109	6.4
181.12164	1.6
183.11716	13.6
185.09657	2.0
185.13277	13.6
187.11211	4.7
187.14784	6.0
189.11203	8.3
189.12770	4.1
191.14389	1.8
193.10143	1.6
195.11705	6.4
195.13702	7.3
197.13252	9.2
199.11192	1.7
199.14848	7.6
201.12677	2.9
201.16388	2.8
207.11812	3.2
207.13770	2.5
209.13194	6.6
211.14807	4.9
213.12788	1.4
213.16458	3.3
215.17876	3.3
219.11780	1.5
219.13759	1.5
223.14922	4.0
225.16452	2.6
227.12759	18.6
227.18016	2.1
229.14326	6.1
229.19560	3.5
231.21063	2.4
233.15594	1.3
237.16399	2.1
239.14326	1.5
239.18040	6.9
241.19545	7.8
247.20590	3.3
253.14308	1.5
255.15710	6.2
257.19006	13.4
259.20575	21.5
267.15826	1.8
269.17465	29.0
271.20712	1.7
273.18484	4.4
273.77563	1.3
275.20084	46.4
276.20541	1.6
277.21884	1.7
291.19537	6.1
293.21136	4.4
299.20175	2.0
301.21680	1.7
305.21252	1.7
309.22195	2.2
313.21619	2.9
315.23251	3.5
325.21619	1.7
325.25235	1.6
331.22678	3.0
333.24298	18.8
339.23166	2.0
349.23740	32.9
350.23944	2.4
357.24063	1.3
365.23422	1.9
367.24881	2.1
379.26016	1.8
421.30875	2.3
431.28271	1.7
435.32544	2.3
445.29779	2.0
449.28790	5.3
451.31876	2.7
463.30569	8.8
487.34058	2.3
493.27802	1.8
495.34897	2.9
501.36136	1.7
513.35767	23.5
515.38000	4.5
525.35321	3.0
527.37231	16.9
529.35443	3.7
531.36914	2.1
533.39746	2.7
543.36920	18.4
545.38226	1.7
549.39148	1.7
549.52856	1.3
551.40704	4.1
561.37640	2.6
597.45410	2.0
605.41180	1.4
607.34253	2.1
607.43549	26.1
619.97748	1.5
623.43225	3.3
625.44531	23.6
626.45258	1.9
641.43390	4.3
689.41962	1.5
787.49817	1.7
898.10779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	5.6
71.08635	1.7
71.50679	1.3
71.51145	1.8
73.02911	7.0
77.03922	2.4
79.05495	88.7
81.03418	20.0
81.07059	98.1
83.04985	17.0
83.08614	15.8
85.02912	26.2
85.06538	4.2
91.03961	10.6
91.05482	100.0
93.07045	83.7
93.90031	1.3
95.04966	14.7
95.08610	59.6
97.02891	20.1
97.06535	16.0
97.10159	7.9
98.09666	2.0
99.04454	2.7
99.08080	7.0
103.05480	4.2
105.04522	4.6
105.07034	86.6
107.04957	7.7
107.08601	48.8
109.02908	2.6
109.06527	9.4
109.10154	21.4
111.04454	1.9
111.08076	5.1
115.03942	1.6
115.05466	5.6
116.06237	3.8
117.07020	43.1
119.08584	62.7
121.06515	5.4
121.10148	27.3
123.08073	10.2
123.11707	7.7
125.09636	5.8
127.03937	10.9
128.06226	9.5
129.05565	6.7
129.07002	25.7
130.07777	2.9
131.04912	1.9
131.08568	51.8
133.06499	3.8
133.10138	48.4
135.08051	7.4
135.11696	21.6
137.09616	5.0
139.11201	1.6
141.06975	10.0
142.07785	7.8
143.08560	23.6
145.04921	7.7
145.06490	3.8
145.10121	41.7
147.08054	4.4
147.11688	30.8
149.09610	10.2
149.13261	17.8
151.11197	3.8
153.06937	2.3
155.08540	15.3
156.09319	2.8
157.10155	20.3
158.10954	2.0
159.08003	2.7
159.11691	32.1
161.09648	4.4
161.13235	13.2
163.06035	2.6
163.11177	7.4
163.14832	2.4
165.06940	2.0
165.12730	2.2
167.08560	6.3
168.09355	1.8
169.10123	15.2
170.11070	1.6
171.08076	1.8
171.11700	23.5
173.11798	2.4
173.13249	15.2
175.11156	2.6
175.14812	5.2
177.12762	6.3
179.08572	3.1
179.14314	2.7
181.10138	7.8
183.11688	14.4
185.13220	17.7
187.14838	6.7
189.11208	2.1
189.12794	3.9
189.16386	1.8
193.10152	3.0
195.11725	10.0
195.13832	5.9
197.13284	11.6
198.13776	1.6
199.14836	9.7
201.16345	2.9
203.14333	1.9
207.11821	2.7
207.13770	3.5
209.13261	6.3
211.14819	4.5
213.14627	1.9
213.16422	7.5
215.18027	2.4
217.15831	2.3
221.13367	3.3
223.14844	4.0
225.11143	1.7
225.16344	5.5
227.17993	2.0
229.19565	3.2
231.21124	4.0
235.14940	3.0
237.16393	5.1
239.17938	3.2
241.19559	7.2
243.21294	1.5
257.19061	9.0
259.20587	28.1
261.22092	2.4
267.16049	3.0
269.17505	17.0
275.20154	16.9
277.21747	3.0
279.20911	2.0
281.17468	5.2
309.21954	2.3
311.19931	1.5
311.23679	1.9
313.21683	1.9
315.23105	5.2
323.23962	2.0
325.21112	1.4
331.22577	2.4
333.24277	21.1
335.26144	2.3
349.23785	9.3
367.35425	1.7
371.26022	1.8
389.27472	1.6
396.70679	1.5
435.32214	4.1
447.32370	1.8
453.33536	2.5
463.30405	2.6
471.34485	2.7
475.30475	2.2
489.35516	1.9
513.35724	3.0
515.37488	3.0
517.40076	2.6
527.37457	19.6
535.41547	2.1
539.37421	1.9
543.36743	2.7
591.43829	3.9
607.43353	7.9
609.45184	40.2
610.45398	2.0
625.44403	4.5
735.48083	1.8
771.49597	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	1016.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	3.9
71.51595	1.7
73.02922	1.5
79.05496	45.7
81.03421	9.3
81.07056	40.9
83.04982	6.2
83.08622	11.8
85.02910	7.1
85.06549	2.1
91.03969	2.4
91.05486	46.8
93.07048	41.0
95.01335	1.4
95.04971	12.0
95.08614	23.8
97.02886	10.4
97.06532	8.5
97.10170	14.6
99.08093	2.4
103.05459	2.0
105.04554	1.6
105.07031	39.7
107.04967	8.1
107.07876	1.6
107.08597	25.3
109.02881	1.2
109.06553	5.1
109.10155	13.0
111.04432	1.2
111.08097	3.7
113.06012	1.0
115.05455	3.5
116.06260	1.1
117.07021	20.2
119.04978	2.7
119.08587	32.5
121.06522	4.4
121.10147	14.2
123.04446	2.4
123.08069	6.6
123.11722	3.6
125.09622	12.3
127.03932	2.3
128.06236	2.6
129.06996	9.9
131.08577	19.6
133.06497	3.1
133.10149	20.5
135.08069	5.6
135.11700	8.0
136.06163	1.2
137.09663	3.0
139.03914	2.3
141.07030	3.3
142.07800	2.1
143.08577	8.1
145.04999	2.0
145.06468	1.5
145.10130	15.1
145.11176	1.6
147.08080	6.2
147.11694	14.8
149.09648	5.0
149.13263	7.7
151.11215	1.6
153.09096	1.4
153.12755	0.9
155.08572	3.0
157.10161	6.9
159.11699	13.2
161.09621	3.9
161.13220	7.9
161.94345	0.9
162.07730	1.8
163.03981	2.0
163.11172	4.7
167.08601	1.9
168.09308	1.0
169.10141	4.1
169.12248	1.1
171.10358	1.4
171.11693	7.4
173.11897	1.7
173.13277	6.1
175.11226	2.8
175.14818	4.9
177.12732	3.4
179.14334	1.1
181.10172	1.7
183.11725	3.6
184.12193	0.9
185.09738	1.3
185.13258	4.0
187.11212	1.4
187.14867	2.7
189.11230	6.4
189.12701	1.3
193.12181	1.4
195.11890	1.3
195.13794	4.2
197.13309	2.4
199.14857	2.2
205.12238	1.8
207.11761	1.2
209.13249	1.7
211.14975	1.6
213.16530	1.5
223.13277	18.0
227.12712	8.2
227.18051	1.3
231.21074	1.4
239.17943	2.7
241.19565	7.2
249.14923	3.6
257.19080	4.3
259.20590	14.8
269.17490	11.3
273.09653	1.1
273.18570	9.5
275.20096	10.4
291.19553	100.0
292.19937	2.7
299.23593	1.4
315.23187	3.1
333.24249	17.2
347.22150	1.7
349.23883	5.7
365.23236	31.3
379.29977	2.0
461.28830	1.1
513.36578	1.1
522.69879	1.1
525.35742	3.6
543.36786	2.8
559.36383	23.9
605.41986	2.9
606.74054	1.0
623.43048	25.3
639.42334	4.2
641.43768	3.1
674.43640	1.2
779.63824	1.1
919.35944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01858	2.3
55.05506	11.0
56.05036	41.1
56.96555	3.3
57.03426	5.6
57.05371	22.3
57.85334	1.8
58.99852	5.4
59.04991	2.5
59.17338	1.7
60.04518	1.8
64.02195	5.6
68.02628	3.7
68.99774	2.3
69.55199	4.3
69.55608	7.6
70.58360	1.7
70.99829	3.8
71.01339	3.1
72.52946	3.2
73.02907	3.6
74.02434	4.4
74.06054	2.7
77.00886	3.0
78.52959	2.7
79.01842	2.4
80.02951	2.0
80.52682	2.4
82.01456	16.8
82.52418	2.3
82.99824	6.2
83.01503	16.2
83.04971	7.1
83.06233	3.2
83.06313	3.3
83.06911	38.8
84.01204	4.8
84.04504	37.0
84.08143	5.0
85.02891	5.9
86.52698	6.1
87.36625	2.2
89.00848	2.1
95.03722	2.2
98.52670	2.4
99.04284	2.0
100.02483	29.4
101.00883	50.7
101.02541	36.9
101.07327	2.7
101.07954	20.7
101.10769	2.3
102.02248	9.0
102.05560	3.3
103.02468	3.2
115.02447	2.6
118.03514	7.0
119.01924	100.0
119.03634	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09048	3.1
82.99844	8.7
83.01498	14.0
101.00885	57.0
101.02567	18.4
102.02251	3.3
119.01929	100.0
119.03638	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02437	1.0
56.96560	3.2
57.13740	1.1
58.99862	1.4
64.07150	1.1
69.85102	1.1
70.06922	5.0
70.98127	3.0
71.52211	1.6
78.87972	1.1
82.01454	2.8
82.99845	7.6
83.01537	6.0
89.00836	1.3
100.02494	4.4
101.00887	58.5
101.02555	12.0
102.00985	1.6
102.02262	1.5
111.00468	2.0
119.01926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	4.1
71.08641	6.5
71.51038	5.6
73.02916	7.5
77.03947	3.5
78.25906	2.6
78.27267	2.9
79.05495	86.1
81.03413	14.4
81.07061	96.8
83.04992	12.1
83.08622	15.8
85.02919	22.2
85.06547	4.5
85.10150	2.4
86.09704	8.8
91.03954	8.8
91.05485	99.3
93.07050	100.0
94.07358	3.5
95.04981	13.3
95.08606	60.2
95.09179	4.9
96.08916	3.2
97.02890	18.9
97.06527	8.7
97.10164	9.1
99.04450	3.5
99.08091	8.4
101.84126	2.7
103.05444	5.3
105.04538	3.2
105.07035	89.2
107.04984	6.1
107.08599	51.2
109.02890	3.5
109.06503	5.1
109.10164	30.2
111.08118	5.2
113.09660	2.9
115.05467	4.4
117.07015	40.5
119.08592	58.5
121.06527	2.4
121.09321	4.0
121.10145	33.8
123.08059	3.2
123.11716	9.5
124.99973	5.2
125.09649	7.3
127.03937	11.1
128.06207	5.6
129.05492	7.6
129.07013	27.0
130.07797	5.1
131.08583	53.1
132.89778	2.7
133.04152	2.4
133.06555	3.4
133.10144	39.9
135.08018	5.4
135.11719	24.3
137.09647	5.5
137.13181	3.3
139.03960	4.2
141.07004	6.7
142.07794	6.5
143.08574	32.0
145.04962	9.4
145.10139	42.7
147.11694	32.8
149.09605	7.3
149.13264	16.8
151.11214	7.0
155.08536	14.8
157.10135	25.8
159.08041	3.3
159.11694	31.9
161.13306	20.3
163.05974	3.5
163.11230	2.7
163.14807	7.1
167.08568	5.3
169.10109	12.5
171.11668	23.3
173.04497	4.3
173.09721	4.9
173.11862	5.0
173.13274	18.5
175.11192	2.8
175.14847	10.6
177.12730	3.8
181.10176	8.0
183.11725	16.9
184.07375	23.0
185.13304	19.5
187.14806	12.6
189.16388	5.0
195.11743	7.5
195.13721	4.1
197.13333	7.9
199.14854	10.6
201.16383	7.0
207.11879	2.6
209.13307	4.2
211.14795	3.7
213.16461	6.1
215.14403	3.5
217.15990	2.8
217.19472	2.8
223.06357	2.5
223.14790	6.4
225.16492	5.6
227.12819	4.2
229.14346	4.5
229.19707	4.0
231.20921	4.0
237.16354	6.1
239.17879	3.2
241.19537	13.1
243.21091	6.4
257.18991	9.6
259.20627	28.1
261.22119	8.1
269.17477	14.5
269.22342	2.4
275.20129	8.7
277.21646	5.3
306.22147	2.7
315.23169	4.5
333.24249	23.3
335.25842	8.8
349.24063	2.8
351.25281	5.3
381.31686	3.1
435.32666	6.2
471.35443	3.0
489.36035	3.6
509.35422	3.3
513.35669	8.2
515.37408	4.6
517.40332	3.3
519.41754	7.7
527.37500	24.1
529.38873	10.3
545.38605	2.8
593.45856	13.5
609.45044	16.1
611.46729	93.8
627.45935	10.6
773.51416	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	1002.6003
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	4.6
71.39178	1.7
73.02910	2.9
79.05504	88.0
81.03429	13.6
81.07065	99.9
83.04977	12.5
83.08632	16.2
85.02904	12.8
85.06521	3.7
90.46341	1.7
91.03944	5.4
91.05488	100.0
93.07050	87.3
93.07643	4.6
94.07409	2.4
95.04989	12.4
95.08614	55.7
97.02882	8.3
97.06535	13.0
97.10166	12.3
99.04442	3.5
99.08088	3.7
100.54806	2.0
103.05464	5.0
105.04491	2.6
105.07038	93.0
107.04950	9.0
107.08604	53.8
109.02819	2.3
109.06508	7.3
109.10180	27.2
111.08058	7.1
115.05448	6.6
116.06195	2.0
117.07030	38.7
119.08591	64.8
121.06505	6.9
121.10146	31.5
123.08070	5.3
123.11707	5.7
125.09631	7.0
127.03903	5.0
128.06204	7.7
129.07013	27.2
130.07785	2.7
131.08574	44.7
133.06483	3.2
133.10143	56.7
135.08063	5.7
135.11700	25.1
137.09605	3.9
141.06976	6.4
142.07794	6.1
143.08588	25.9
144.09360	3.3
145.04953	3.0
145.06456	2.3
145.10139	39.8
147.08031	3.4
147.11707	37.1
149.09666	12.1
149.13269	12.8
151.11111	2.4
153.07013	3.6
155.08569	13.5
156.09366	3.5
157.10158	23.5
159.08000	2.4
159.11707	31.8
160.39464	1.9
161.09656	4.4
161.13254	17.2
163.11156	9.2
163.14835	3.5
165.12842	3.8
167.08607	5.4
168.09462	2.8
169.10136	16.8
169.95940	2.1
171.11690	21.7
173.04466	2.5
173.09654	3.4
173.11906	2.7
173.13258	18.3
175.11206	3.9
175.14822	7.6
177.12799	3.1
179.08585	2.5
179.14244	3.1
181.10141	8.3
182.10956	2.7
183.11711	18.5
185.13222	13.0
187.11168	2.4
187.14807	7.6
189.11211	3.7
189.12746	3.2
189.16493	1.9
193.10258	3.6
195.11705	9.8
195.13707	2.5
197.13303	14.3
199.13190	3.0
199.14835	10.7
201.16357	2.9
207.11722	4.4
209.13245	7.7
211.14844	6.6
213.16498	4.5
217.15959	3.2
221.13243	3.4
223.14816	4.6
227.12807	7.6
227.17911	2.6
229.14218	3.1
231.21130	5.8
235.14906	3.3
237.16328	4.7
239.18066	4.1
241.19586	19.2
245.19066	2.5
253.19670	2.3
255.15706	3.8
257.18994	6.3
259.20605	41.8
269.17474	9.5
273.18542	3.3
275.20132	24.0
278.14569	2.4
293.20932	2.2
299.20346	2.4
315.23123	7.0
331.22574	2.5
333.24304	42.2
349.23755	15.3
367.24969	3.4
421.30942	3.0
435.32285	5.7
453.33569	4.8
471.34680	2.6
489.35684	2.1
499.34238	2.4
505.34433	2.1
509.36444	4.6
513.35803	28.5
515.38202	6.0
525.36774	2.4
527.37323	47.0
528.38239	3.2
531.36945	4.7
533.39734	4.0
545.38330	8.2
551.40912	2.8
589.42419	3.3
607.43512	47.6
625.44617	46.6
667.97852	2.4
671.41541	3.1
689.42603	4.5
769.48224	6.8
902.08148	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	1002.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53381	1.7
71.04980	6.8
72.26512	1.6
73.02917	5.4
77.64673	1.7
79.05498	87.9
81.03434	15.8
81.07063	88.5
83.04995	13.5
83.08633	19.3
85.02905	19.2
85.06548	4.4
85.86250	1.7
89.61663	2.1
91.03961	8.8
91.05489	100.0
93.07051	83.3
95.04973	13.1
95.08614	63.1
97.02898	16.3
97.06543	11.7
97.10186	7.3
98.20796	4.7
99.08104	5.8
103.05447	4.2
105.04552	3.4
105.07041	83.5
107.04948	5.8
107.08602	51.6
109.02872	5.0
109.06527	6.9
109.10163	21.8
111.04470	2.4
111.08060	5.2
113.09674	1.7
115.05448	7.5
116.06200	1.9
116.96811	1.9
117.07021	39.3
119.08592	63.0
121.06555	3.2
121.10143	31.1
123.08070	3.5
123.11706	6.1
125.09673	3.6
127.03924	8.1
128.06239	8.4
129.05475	4.9
129.07022	30.8
130.07773	4.1
131.08580	41.4
133.10135	48.6
135.08057	5.9
135.11691	17.3
136.32738	1.7
137.09668	3.7
137.13261	3.3
139.11179	2.9
141.06981	8.7
142.07776	6.0
143.08586	34.2
144.09406	2.0
145.04973	8.3
145.06509	3.2
145.10138	41.7
147.08076	3.6
147.11694	35.1
149.09645	8.1
149.13274	12.7
155.08557	20.5
157.10138	30.8
159.08034	2.9
159.11719	33.9
161.09630	3.3
161.13300	17.1
163.06024	3.6
163.11212	3.5
163.14876	2.8
165.06964	2.2
166.07806	1.9
167.08563	7.8
168.09389	4.0
169.10158	21.4
170.10956	2.2
171.08119	1.9
171.11699	24.0
173.04465	3.8
173.13278	19.7
175.11217	2.2
175.14825	7.1
177.12796	2.8
179.08455	2.2
181.10162	10.5
183.11711	16.6
185.09660	2.4
185.13251	16.6
187.03914	1.8
187.11182	1.8
187.14824	7.0
189.16426	3.5
193.10138	2.9
195.11732	11.3
195.13690	3.5
197.13274	16.2
199.14841	12.8
207.11674	2.0
209.06476	1.9
209.13260	8.8
211.14824	8.8
213.16330	5.7
215.17934	2.5
221.13260	4.2
223.14824	4.1
225.16399	5.5
227.18150	2.9
229.19531	2.8
231.21114	3.1
235.14900	5.5
237.16339	5.5
239.17996	5.6
241.19559	10.8
251.18024	4.8
257.19034	8.3
259.20587	28.8
265.19586	2.9
267.15967	2.6
269.17621	11.0
271.20621	3.6
275.20047	7.8
283.20514	3.3
285.22086	3.2
287.20187	1.9
293.17651	1.7
301.21506	2.3
309.22244	2.6
311.23795	3.6
313.21948	2.9
315.23239	5.0
323.23660	4.4
331.22650	4.6
333.24268	25.3
335.25992	4.4
337.21698	2.3
337.25446	2.9
339.23215	2.1
341.24792	2.4
349.24155	4.0
351.27103	2.5
365.28564	2.5
413.21381	2.8
417.31345	2.6
418.29684	1.9
421.30893	2.3
423.32690	2.5
435.32401	7.8
453.33829	4.8
487.34192	3.4
501.35156	2.6
509.35944	3.4
513.35602	8.0
515.38348	3.8
517.40302	5.9
527.37341	23.9
535.41241	3.1
539.37787	3.5
545.38312	3.4
591.44073	5.5
607.43463	13.9
609.45264	63.2
610.45050	3.9
625.44940	11.8
682.92352	2.0
699.46649	2.4
771.50037	3.9
END